3776755	Total_Formal_Charge	1
133136	Structure_Complexity	721
15788279	Undefined_Bond_Stereo_Count	0
18522099	Rotatable_Bond_Count	0
7151	Covalent_Unit_Count	1
86186	Hydrogen_Bond_Donor_Count	1
96066	Hydrogen_Bond_Acceptor_Count	1
104729	Hydrogen_Bond_Acceptor_Count	0
57104	Rotatable_Bond_Count	5
20392754	Mono_Isotopic_Weight	97.052763847
7730	Non-hydrogen_Atom_Count	9
11946	Tautomer_Count	1
53894233	Isotope_Atom_Count	0
12229743	TPSA	38
8449	Covalent_Unit_Count	1
578771	XLogP3	3.6
20426504	TPSA	26
5288845	Undefined_Bond_Stereo_Count	0
20054964	Rotatable_Bond_Count	12
10130120	Hydrogen_Bond_Acceptor_Count	5
140152057	Undefined_Bond_Stereo_Count	0
5282226	Rotatable_Bond_Count	13
84106846	Molecular_Weight	114.19
139356	Hydrogen_Bond_Donor_Count	3
77290	Covalent_Unit_Count	1
138663	Total_Formal_Charge	0
44412343	Non-hydrogen_Atom_Count	25
86399	Covalent_Unit_Count	1
54715668	Undefined_Bond_Stereo_Count	0
138200	Non-hydrogen_Atom_Count	7
5311064	Mono_Isotopic_Weight	317.16270821
12699161	Rotatable_Bond_Count	0
80642	Rotatable_Bond_Count	2
13138	Covalent_Unit_Count	1
260917	Undefined_Atom_Stereo_Count	3
22737404	Hydrogen_Bond_Acceptor_Count	3
31703	Undefined_Atom_Stereo_Count	0
893673	Defined_Atom_Stereo_Count	0
79882	Covalent_Unit_Count	1
20728717	Defined_Bond_Stereo_Count	0
145900	XLogP3	2.2
5319422	Undefined_Bond_Stereo_Count	0
76292	Isotope_Atom_Count	0
1242943	Exact_Mass	317.12766012
5320313	Isotope_Atom_Count	0
3885	Exact_Mass	242.094294304
42076	XLogP3-AA	5.4
84506	Exact_Mass	234.06405680
33645	Tautomer_Count	1
57521	Covalent_Unit_Count	1
89100	Defined_Atom_Stereo_Count	0
5466987	Undefined_Atom_Stereo_Count	2
21545139	Rotatable_Bond_Count	0
55011	Covalent_Unit_Count	1
36552	Exact_Mass	427.05079224
48448	Defined_Atom_Stereo_Count	0
21624254	Structure_Complexity	68.5
37239	Total_Formal_Charge	1
57704514	Mono_Isotopic_Weight	244.08076950
1042	Rotatable_Bond_Count	4
86856	Structure_Complexity	63.5
9805	Rotatable_Bond_Count	0
5288725	Undefined_Atom_Stereo_Count	0
22277879	Mono_Isotopic_Weight	116.083729621
118388035	Total_Formal_Charge	0
54472110	Total_Formal_Charge	0
656954	Hydrogen_Bond_Donor_Count	2
92515	Mono_Isotopic_Weight	208.109944368
14018587	TPSA	37.3
52553	Total_Formal_Charge	0
11840927	XLogP3-AA	0.3
7233	Isotope_Atom_Count	0
9806190	Tautomer_Count	42
12367598	Hydrogen_Bond_Acceptor_Count	2
11974213	XLogP3-AA	5.5
449487	Exact_Mass	274.1250632
123167244	Undefined_Bond_Stereo_Count	0
132278564	Mono_Isotopic_Weight	276.03336507
57406717	Hydrogen_Bond_Acceptor_Count	5
738541	Hydrogen_Bond_Donor_Count	1
10021783	Defined_Atom_Stereo_Count	0
70430	TPSA	92.5
66377	TPSA	99.1
121290450	Total_Formal_Charge	0
114523	Defined_Atom_Stereo_Count	0
11394238	Undefined_Bond_Stereo_Count	0
84602	Molecular_Weight	596.5
24812721	Molecular_Weight	377.4
512282	Tautomer_Count	3
12512794	Molecular_Weight	94.15
31326	Exact_Mass	378.24062418
12985	Exact_Mass	115.099714038
22016536	Structure_Complexity	706
22764074	Hydrogen_Bond_Donor_Count	0
3206	Hydrogen_Bond_Donor_Count	2
75614	Rotatable_Bond_Count	5
712078	Non-hydrogen_Atom_Count	22
17855362	Hydrogen_Bond_Acceptor_Count	2
57288387	TPSA	110
6437850	Rotatable_Bond_Count	4
98810	XLogP3	0.2
88532	Hydrogen_Bond_Acceptor_Count	13
70682213	Undefined_Atom_Stereo_Count	0
40931	XLogP3-AA	6.7
66048	Non-hydrogen_Atom_Count	8
3715	Defined_Bond_Stereo_Count	0
5459361	Rotatable_Bond_Count	42
44719499	Exact_Mass	199.10085685
10042942	Defined_Atom_Stereo_Count	1
636523	Total_Formal_Charge	0
439378	Defined_Atom_Stereo_Count	1
78596	Defined_Bond_Stereo_Count	0
22015243	Molecular_Weight	114.14
2764838	Undefined_Bond_Stereo_Count	0
543706	Hydrogen_Bond_Acceptor_Count	2
1077190	XLogP3-AA	4.8
10887856	Covalent_Unit_Count	1
6607	Isotope_Atom_Count	0
139592645	Undefined_Atom_Stereo_Count	0
299801	XLogP3-AA	0.5
11378469	Isotope_Atom_Count	0
12205108	Non-hydrogen_Atom_Count	8
11274356	Tautomer_Count	9
10440976	Non-hydrogen_Atom_Count	71
155448	Structure_Complexity	263
2724159	Exact_Mass	150.104465066
4194	Hydrogen_Bond_Donor_Count	1
3085362	Tautomer_Count	116
2723822	Non-hydrogen_Atom_Count	7
26156	XLogP3-AA	1.6
73707356	Mono_Isotopic_Weight	450.27298694
23681382	Exact_Mass	194.00135954
54757474	Defined_Atom_Stereo_Count	0
70815	Rotatable_Bond_Count	5
24883	Molecular_Weight	110.97
147205698	Non-hydrogen_Atom_Count	7
123133923	Molecular_Weight	178.14
23676736	Hydrogen_Bond_Donor_Count	1
10130337	XLogP3-AA	0.6
109325	Defined_Atom_Stereo_Count	0
7572	Rotatable_Bond_Count	4
24808640	Total_Formal_Charge	0
77857	Defined_Bond_Stereo_Count	0
83045	Defined_Atom_Stereo_Count	0
3922	Covalent_Unit_Count	1
6433513	Defined_Bond_Stereo_Count	4
54176	Covalent_Unit_Count	2
49865863	Covalent_Unit_Count	1
10374	Defined_Atom_Stereo_Count	0
57267	Molecular_Weight	340.8
5282494	Exact_Mass	446.26683893
65410	Undefined_Bond_Stereo_Count	0
71721420	Structure_Complexity	95.3
18669	Hydrogen_Bond_Acceptor_Count	1
131675085	Defined_Bond_Stereo_Count	0
38140	Undefined_Atom_Stereo_Count	0
450772	Undefined_Atom_Stereo_Count	3
58985	Isotope_Atom_Count	0
20136721	Non-hydrogen_Atom_Count	6
68987	Defined_Atom_Stereo_Count	0
18335911	XLogP3-AA	0.5
198015	Isotope_Atom_Count	0
60196365	Undefined_Atom_Stereo_Count	1
97735	Covalent_Unit_Count	1
102861	Hydrogen_Bond_Donor_Count	0
49937	Non-hydrogen_Atom_Count	10
71454296	Defined_Atom_Stereo_Count	1
26346	XLogP3-AA	6.5
24892775	Covalent_Unit_Count	1
82418997	Defined_Bond_Stereo_Count	0
104416	Covalent_Unit_Count	1
46936613	Rotatable_Bond_Count	8
104048363	Mono_Isotopic_Weight	107.048347172
5326160	Structure_Complexity	27
3825	Molecular_Weight	254.28
10271	Non-hydrogen_Atom_Count	16
94180	XLogP3-AA	2
53702849	Total_Formal_Charge	0
667	Hydrogen_Bond_Donor_Count	11
68911	Non-hydrogen_Atom_Count	21
19707	Undefined_Bond_Stereo_Count	0
101417707	Isotope_Atom_Count	0
5289024	Tautomer_Count	1
72887	Molecular_Weight	128.17
11520	Mono_Isotopic_Weight	116.120115130
59296033	Non-hydrogen_Atom_Count	39
108059	Hydrogen_Bond_Acceptor_Count	4
20220679	Defined_Bond_Stereo_Count	0
18995710	Undefined_Bond_Stereo_Count	0
11731903	Exact_Mass	391.00951716
3011527	Total_Formal_Charge	0
5553	Rotatable_Bond_Count	21
437719	Undefined_Atom_Stereo_Count	0
130554629	Defined_Bond_Stereo_Count	0
3001664	Undefined_Bond_Stereo_Count	0
27195	Rotatable_Bond_Count	2
21943994	Hydrogen_Bond_Acceptor_Count	11
9826520	Rotatable_Bond_Count	7
18342346	Isotope_Atom_Count	0
5702628	Hydrogen_Bond_Acceptor_Count	2
5814	TPSA	86.7
91434	Non-hydrogen_Atom_Count	21
5356544	Molecular_Weight	222.37
8142	Mono_Isotopic_Weight	148.1018782
91644	Covalent_Unit_Count	1
14366068	Defined_Bond_Stereo_Count	0
11446305	TPSA	33
12971800	Molecular_Weight	598.6
3199	Undefined_Atom_Stereo_Count	7
88867195	Non-hydrogen_Atom_Count	8
9081	Non-hydrogen_Atom_Count	10
12498	Structure_Complexity	292
6575	Covalent_Unit_Count	1
20251205	Covalent_Unit_Count	1
12630477	Undefined_Atom_Stereo_Count	2
10797	Undefined_Bond_Stereo_Count	0
12312963	Total_Formal_Charge	0
95173	Defined_Bond_Stereo_Count	0
3899541	Structure_Complexity	386
2734247	Non-hydrogen_Atom_Count	20
31242	Total_Formal_Charge	0
19734140	Undefined_Bond_Stereo_Count	0
1957	Molecular_Weight	381.5
15122078	Molecular_Weight	262.07
7787	Hydrogen_Bond_Acceptor_Count	6
6433334	Isotope_Atom_Count	0
67522	Hydrogen_Bond_Donor_Count	2
9912992	Isotope_Atom_Count	0
43704	Covalent_Unit_Count	1
2736527	Defined_Atom_Stereo_Count	0
84677	XLogP3	5
54682458	Tautomer_Count	18
89317	Rotatable_Bond_Count	3
46625	Exact_Mass	195.05315777
159283	Undefined_Atom_Stereo_Count	0
71231	Hydrogen_Bond_Donor_Count	0
9806229	Molecular_Weight	507.0
53631403	Covalent_Unit_Count	1
10291556	Mono_Isotopic_Weight	351.03474825
138041	Hydrogen_Bond_Acceptor_Count	1
637552	TPSA	45.6
138961	Non-hydrogen_Atom_Count	7
86775236	Hydrogen_Bond_Donor_Count	1
139323923	Molecular_Weight	1202.6
171284	Exact_Mass	582.20608914
169743	Isotope_Atom_Count	0
51030053	Defined_Atom_Stereo_Count	0
4891	Rotatable_Bond_Count	1
60196302	Molecular_Weight	378.5
44384785	Covalent_Unit_Count	1
15021647	Undefined_Atom_Stereo_Count	0
81056	Structure_Complexity	160
2062	Structure_Complexity	621
72941990	Hydrogen_Bond_Acceptor_Count	6
147285	Isotope_Atom_Count	0
23668195	Isotope_Atom_Count	0
67325	Hydrogen_Bond_Donor_Count	0
25323	Tautomer_Count	19
12272373	Defined_Bond_Stereo_Count	0
54607635	TPSA	183
1331	Exact_Mass	282.09728894
43262	Undefined_Atom_Stereo_Count	1
127054492	Defined_Bond_Stereo_Count	0
625661	Covalent_Unit_Count	1
18347297	Undefined_Atom_Stereo_Count	0
346327	Defined_Atom_Stereo_Count	0
20550156	Rotatable_Bond_Count	1
40470	XLogP3	6.7
963424	Mono_Isotopic_Weight	314.05475542
216208	Total_Formal_Charge	0
69762	Covalent_Unit_Count	1
23665874	TPSA	69.2
7421	XLogP3	1.6
10258195	Non-hydrogen_Atom_Count	43
256737	Structure_Complexity	411
1217	Non-hydrogen_Atom_Count	12
521790	TPSA	37.3
25072736	Defined_Bond_Stereo_Count	0
54136480	Rotatable_Bond_Count	2
987	Defined_Atom_Stereo_Count	0
2782201	XLogP3	2.7
209257	Hydrogen_Bond_Acceptor_Count	1
21724548	Hydrogen_Bond_Donor_Count	2
12317881	Molecular_Weight	353.8
23114997	Hydrogen_Bond_Acceptor_Count	1
54133029	Mono_Isotopic_Weight	113.047678466
92768	Isotope_Atom_Count	0
237031	Mono_Isotopic_Weight	112.063662883
5282421	Undefined_Atom_Stereo_Count	0
7654	Isotope_Atom_Count	0
17564	Undefined_Bond_Stereo_Count	0
36732	Non-hydrogen_Atom_Count	13
139088049	Structure_Complexity	953
153685445	Covalent_Unit_Count	1
6440900	Defined_Bond_Stereo_Count	1
22401764	Undefined_Atom_Stereo_Count	0
688024	Mono_Isotopic_Weight	275.15214353
84041	Total_Formal_Charge	0
86186	Covalent_Unit_Count	1
5833	Exact_Mass	416.20213067
11054	Covalent_Unit_Count	2
79510	Molecular_Weight	156.10
23294	Structure_Complexity	53.6
37036	Tautomer_Count	1
9859	Hydrogen_Bond_Acceptor_Count	2
14151226	Non-hydrogen_Atom_Count	8
13248582	Hydrogen_Bond_Donor_Count	0
297183	Structure_Complexity	158
9926832	Structure_Complexity	519
155144825	XLogP3-AA	0.2
11175137	Undefined_Bond_Stereo_Count	0
2734040	Non-hydrogen_Atom_Count	15
17354	Total_Formal_Charge	0
59055623	Defined_Atom_Stereo_Count	0
12940701	Rotatable_Bond_Count	7
66327	Hydrogen_Bond_Acceptor_Count	1
10888051	Hydrogen_Bond_Donor_Count	0
55305	Undefined_Atom_Stereo_Count	1
57429842	Non-hydrogen_Atom_Count	8
100308	Hydrogen_Bond_Acceptor_Count	4
89352876	TPSA	279
92180	Defined_Bond_Stereo_Count	0
9432	Total_Formal_Charge	0
123591	Defined_Bond_Stereo_Count	0
13769849	Undefined_Bond_Stereo_Count	0
289847	Defined_Bond_Stereo_Count	0
8072	Structure_Complexity	23.5
827	Undefined_Bond_Stereo_Count	0
15256279	Defined_Bond_Stereo_Count	0
89578867	Exact_Mass	310.204513457
15950005	Molecular_Weight	389.5
158796	Defined_Atom_Stereo_Count	1
47896	Molecular_Weight	598.6
10909482	Total_Formal_Charge	0
1516	Non-hydrogen_Atom_Count	15
27135	Structure_Complexity	59.8
14742703	XLogP3-AA	4.8
12240	Exact_Mass	116.120115130
946898	Mono_Isotopic_Weight	307.17969569
96335	Isotope_Atom_Count	0
12278591	Non-hydrogen_Atom_Count	7
12242919	Covalent_Unit_Count	1
6995013	Rotatable_Bond_Count	6
5001396	Exact_Mass	307.09703396
5780	Undefined_Bond_Stereo_Count	0
413520	TPSA	3.9
58160574	Rotatable_Bond_Count	6
23690453	Molecular_Weight	262.31
11363	TPSA	34.1
24965	Defined_Bond_Stereo_Count	0
66425	Total_Formal_Charge	0
66359	Non-hydrogen_Atom_Count	23
9322	Undefined_Atom_Stereo_Count	0
11345	Defined_Bond_Stereo_Count	0
13275541	Hydrogen_Bond_Donor_Count	1
5284530	Rotatable_Bond_Count	7
520668	Undefined_Atom_Stereo_Count	0
10552	Undefined_Atom_Stereo_Count	0
9988	Undefined_Bond_Stereo_Count	0
3226	TPSA	9.2
10923804	Molecular_Weight	275.37
315411	Isotope_Atom_Count	0
4257	Rotatable_Bond_Count	4
57397776	Hydrogen_Bond_Donor_Count	3
66026334	Non-hydrogen_Atom_Count	8
27435	Defined_Atom_Stereo_Count	0
87279996	Defined_Bond_Stereo_Count	0
15096	Isotope_Atom_Count	0
114948	TPSA	118
786892	TPSA	67.8
53260965	Defined_Atom_Stereo_Count	0
91589	Rotatable_Bond_Count	1
98719	Defined_Atom_Stereo_Count	0
135512673	Molecular_Weight	822.9
219042	Hydrogen_Bond_Donor_Count	7
31707	Mono_Isotopic_Weight	280.193948774
7238	Defined_Atom_Stereo_Count	0
18710462	Covalent_Unit_Count	1
19254	TPSA	75.3
83572	Structure_Complexity	91.2
21399335	Hydrogen_Bond_Donor_Count	1
5362391	Undefined_Bond_Stereo_Count	0
6539038	TPSA	123
19690463	Defined_Atom_Stereo_Count	0
60154326	TPSA	105
135444498	Rotatable_Bond_Count	1
4659387	Isotope_Atom_Count	0
101602193	Molecular_Weight	666.9
43	Undefined_Bond_Stereo_Count	0
64356	Defined_Atom_Stereo_Count	0
20992	Covalent_Unit_Count	1
3037936	Undefined_Atom_Stereo_Count	0
86277	Structure_Complexity	370
85838693	Undefined_Bond_Stereo_Count	0
15565266	Exact_Mass	111.043261792
3073763	Hydrogen_Bond_Donor_Count	1
72196	Defined_Bond_Stereo_Count	0
134688474	Defined_Bond_Stereo_Count	0
16049374	Defined_Bond_Stereo_Count	0
45380791	Defined_Atom_Stereo_Count	0
403828	Isotope_Atom_Count	0
89421960	Mono_Isotopic_Weight	115.063328530
44308073	Total_Formal_Charge	0
613589	Defined_Atom_Stereo_Count	0
12393	Mono_Isotopic_Weight	284.271530387
88686	Molecular_Weight	85.003
17791645	Isotope_Atom_Count	0
54712709	Mono_Isotopic_Weight	274.00898354
86830	Molecular_Weight	523.5
56841980	Isotope_Atom_Count	0
14644797	Molecular_Weight	115.13
127909	Covalent_Unit_Count	1
11228764	Defined_Bond_Stereo_Count	0
60993	Covalent_Unit_Count	1
11676981	Defined_Atom_Stereo_Count	0
12074364	Defined_Atom_Stereo_Count	0
135554441	Defined_Atom_Stereo_Count	3
31261	Undefined_Atom_Stereo_Count	0
189	Hydrogen_Bond_Acceptor_Count	5
44125988	Molecular_Weight	366.5
5311066	Exact_Mass	416.21988874
11001318	Tautomer_Count	1
722163	Defined_Bond_Stereo_Count	0
5352133	Defined_Bond_Stereo_Count	0
80875	Non-hydrogen_Atom_Count	36
196639	Hydrogen_Bond_Acceptor_Count	14
633546	Hydrogen_Bond_Donor_Count	0
20431673	Covalent_Unit_Count	1
87474167	Defined_Bond_Stereo_Count	0
5311311	Hydrogen_Bond_Donor_Count	16
56842070	Undefined_Atom_Stereo_Count	0
31352	Exact_Mass	254.13655304
72271	Molecular_Weight	482.5
138137	Molecular_Weight	96.17
6999987	Undefined_Bond_Stereo_Count	0
101191014	Mono_Isotopic_Weight	72.019786696
36666	TPSA	3.2
906815	Non-hydrogen_Atom_Count	24
5976	TPSA	29.3
461399	Mono_Isotopic_Weight	409.1004755
12320138	Rotatable_Bond_Count	1
123839315	Undefined_Atom_Stereo_Count	0
24771777	Covalent_Unit_Count	1
54582972	Structure_Complexity	650
7938	Molecular_Weight	108.14
44563327	Mono_Isotopic_Weight	517.1187801
54556023	Molecular_Weight	113.16
86287524	Rotatable_Bond_Count	0
4025	Undefined_Bond_Stereo_Count	0
9958995	Hydrogen_Bond_Donor_Count	0
65211	Molecular_Weight	443.6
5299	Rotatable_Bond_Count	6
82143	Covalent_Unit_Count	1
519186	Tautomer_Count	1
396765	Molecular_Weight	655.0
63036	Exact_Mass	512.12098
5852	Molecular_Weight	149.21
4672596	Undefined_Bond_Stereo_Count	0
12708563	Hydrogen_Bond_Acceptor_Count	1
94215	Exact_Mass	120.078644241
4498	Hydrogen_Bond_Donor_Count	2
24900751	Undefined_Atom_Stereo_Count	0
68353	Hydrogen_Bond_Donor_Count	0
15086	Total_Formal_Charge	0
5311101	Non-hydrogen_Atom_Count	30
122731	Hydrogen_Bond_Donor_Count	4
271	Rotatable_Bond_Count	0
3033984	Hydrogen_Bond_Donor_Count	1
140535901	Exact_Mass	95.048347172
2706	Structure_Complexity	915
154222492	Mono_Isotopic_Weight	114.042927438
11088	Isotope_Atom_Count	0
4656	Total_Formal_Charge	0
134717	Covalent_Unit_Count	7
68993193	Defined_Atom_Stereo_Count	0
36576	Tautomer_Count	1
12848392	Rotatable_Bond_Count	2
9104	Total_Formal_Charge	0
11177439	Molecular_Weight	413.5
53693033	TPSA	3.2
4631	Covalent_Unit_Count	1
5388906	Mono_Isotopic_Weight	554.15689
13389	Mono_Isotopic_Weight	107.037113783
71808	Rotatable_Bond_Count	1
54429687	Covalent_Unit_Count	1
1794427	Defined_Atom_Stereo_Count	4
71072040	TPSA	53
6092	Tautomer_Count	1
55939	Hydrogen_Bond_Donor_Count	1
2215480	TPSA	41.5
418247	Molecular_Weight	101.19
5342002	Mono_Isotopic_Weight	285.0920418
3045392	Structure_Complexity	365
124202844	Non-hydrogen_Atom_Count	32
123752006	Mono_Isotopic_Weight	108.093900383
139074319	Mono_Isotopic_Weight	455.19317399
20688852	Exact_Mass	101.047678466
61614676	Total_Formal_Charge	0
42470	TPSA	29.5
7177	Rotatable_Bond_Count	8
123835510	Undefined_Bond_Stereo_Count	0
9465	Defined_Bond_Stereo_Count	0
8331	Mono_Isotopic_Weight	323.0479841
5372194	Rotatable_Bond_Count	2
12747521	Hydrogen_Bond_Acceptor_Count	2
123639879	Defined_Atom_Stereo_Count	0
3009010	Exact_Mass	1140.59812858
20648899	Defined_Atom_Stereo_Count	0
5355858	XLogP3-AA	5.4
79717	Defined_Bond_Stereo_Count	0
44394726	Molecular_Weight	351.4
70688017	Isotope_Atom_Count	0
5284551	Undefined_Atom_Stereo_Count	0
15765418	Undefined_Bond_Stereo_Count	0
8757	Defined_Bond_Stereo_Count	0
75576	Rotatable_Bond_Count	2
17995818	Undefined_Atom_Stereo_Count	0
33671	Hydrogen_Bond_Acceptor_Count	2
14008744	Non-hydrogen_Atom_Count	8
145755	Tautomer_Count	9
23079483	Isotope_Atom_Count	0
5457	Mono_Isotopic_Weight	286.17936134
3859613	TPSA	78
9984488	Covalent_Unit_Count	1
105104	Undefined_Bond_Stereo_Count	0
146680	Structure_Complexity	753
137214744	Defined_Bond_Stereo_Count	7
10486803	Structure_Complexity	57.7
70678916	Hydrogen_Bond_Donor_Count	1
4745	Structure_Complexity	388
15098	Hydrogen_Bond_Acceptor_Count	0
139077515	Defined_Bond_Stereo_Count	0
126977538	Rotatable_Bond_Count	2
15586	Defined_Atom_Stereo_Count	0
71987	Defined_Atom_Stereo_Count	0
89578867	Hydrogen_Bond_Acceptor_Count	2
61574	XLogP3-AA	5.6
1549109	Hydrogen_Bond_Donor_Count	1
41575	Defined_Bond_Stereo_Count	0
118104	XLogP3-AA	0.5
6433334	Hydrogen_Bond_Donor_Count	2
141010	Total_Formal_Charge	0
23674995	Non-hydrogen_Atom_Count	33
9105	Molecular_Weight	402.5
135403647	Undefined_Atom_Stereo_Count	1
44557554	Defined_Atom_Stereo_Count	0
5288319	Total_Formal_Charge	0
44426760	Hydrogen_Bond_Acceptor_Count	7
12580406	Undefined_Atom_Stereo_Count	0
57416910	Hydrogen_Bond_Donor_Count	0
439693	Defined_Atom_Stereo_Count	4
46835340	Defined_Atom_Stereo_Count	0
3938007	Covalent_Unit_Count	1
3784	Tautomer_Count	5
2557	Mono_Isotopic_Weight	236.09094026
78630	TPSA	25.8
3352	Hydrogen_Bond_Donor_Count	1
4056	Undefined_Atom_Stereo_Count	0
22297	Undefined_Bond_Stereo_Count	0
129629061	Hydrogen_Bond_Donor_Count	0
528	Covalent_Unit_Count	1
6564	Hydrogen_Bond_Donor_Count	0
163050681	Undefined_Atom_Stereo_Count	1
99845	Covalent_Unit_Count	1
123940588	Defined_Bond_Stereo_Count	0
16224456	Isotope_Atom_Count	0
3079842	Mono_Isotopic_Weight	297.0435674
37142	Tautomer_Count	1
131885396	Molecular_Weight	309.38
17754066	Isotope_Atom_Count	0
44451124	Isotope_Atom_Count	0
182976	Isotope_Atom_Count	0
3058221	Rotatable_Bond_Count	1
160531	Isotope_Atom_Count	0
57869404	Defined_Bond_Stereo_Count	0
155294764	Defined_Bond_Stereo_Count	0
93074	Hydrogen_Bond_Donor_Count	1
9776841	Isotope_Atom_Count	0
118010510	Exact_Mass	118.062994177
21981812	Isotope_Atom_Count	0
22203	Hydrogen_Bond_Acceptor_Count	5
8892	Molecular_Weight	116.16
6539027	Molecular_Weight	437.5
5359624	Total_Formal_Charge	0
17822053	Undefined_Bond_Stereo_Count	0
22385738	XLogP3-AA	0.2
124886	Hydrogen_Bond_Donor_Count	6
5281612	Defined_Bond_Stereo_Count	0
16212966	Mono_Isotopic_Weight	181.06674293
25137873	Molecular_Weight	767.0
12867427	Covalent_Unit_Count	1
70484261	Undefined_Bond_Stereo_Count	0
57292	Tautomer_Count	2
59283	Undefined_Atom_Stereo_Count	0
3032281	Covalent_Unit_Count	1
57399429	Undefined_Atom_Stereo_Count	0
439950	Defined_Bond_Stereo_Count	0
21542775	Mono_Isotopic_Weight	96.068748264
97816	Undefined_Bond_Stereo_Count	0
34633	Rotatable_Bond_Count	6
866	Hydrogen_Bond_Acceptor_Count	4
5461982	Exact_Mass	200.9708
1103	Tautomer_Count	1
49791	Hydrogen_Bond_Acceptor_Count	3
4583	Molecular_Weight	361.4
2142	Tautomer_Count	2
9817917	TPSA	135
657306	Hydrogen_Bond_Donor_Count	1
361762	Structure_Complexity	128
21519580	XLogP3-AA	0.2
66587032	Rotatable_Bond_Count	4
636396	Isotope_Atom_Count	0
5285554	Non-hydrogen_Atom_Count	13
6504	Structure_Complexity	395
12962871	Defined_Bond_Stereo_Count	0
57750798	Undefined_Bond_Stereo_Count	0
139088049	Mono_Isotopic_Weight	683.203529
57751145	Hydrogen_Bond_Donor_Count	1
20725561	Molecular_Weight	401.5
91668	Molecular_Weight	370.5
29701	Hydrogen_Bond_Acceptor_Count	3
31315	Covalent_Unit_Count	1
1951	Defined_Atom_Stereo_Count	0
151170	Isotope_Atom_Count	0
49783923	Undefined_Bond_Stereo_Count	0
6997	Rotatable_Bond_Count	1
24822701	Isotope_Atom_Count	0
72199624	Structure_Complexity	642
6580	Mono_Isotopic_Weight	92.9981414
590556	Exact_Mass	148.03851076
81668	Undefined_Bond_Stereo_Count	0
25897919	Hydrogen_Bond_Donor_Count	1
616642	Defined_Bond_Stereo_Count	0
8287	Exact_Mass	361.1618684
31005	Undefined_Atom_Stereo_Count	2
5786	Mono_Isotopic_Weight	223.919862
685814	TPSA	73.2
229075	Molecular_Weight	110.12
78348	XLogP3	0.2
22020874	Defined_Atom_Stereo_Count	0
443880	Total_Formal_Charge	0
108043	Hydrogen_Bond_Donor_Count	0
14906717	Non-hydrogen_Atom_Count	8
9912992	Hydrogen_Bond_Acceptor_Count	10
299369	Hydrogen_Bond_Donor_Count	1
150310	Non-hydrogen_Atom_Count	30
144283	Rotatable_Bond_Count	0
114017	Total_Formal_Charge	0
144179158	Structure_Complexity	157
4110039	Non-hydrogen_Atom_Count	8
146675212	Non-hydrogen_Atom_Count	82
4246	Structure_Complexity	575
34740	Undefined_Bond_Stereo_Count	0
66249	Undefined_Atom_Stereo_Count	0
85988	Hydrogen_Bond_Acceptor_Count	5
10606708	Defined_Atom_Stereo_Count	0
11964036	XLogP3-AA	4.9
5367785	Covalent_Unit_Count	1
58604354	Undefined_Bond_Stereo_Count	0
60196329	Defined_Bond_Stereo_Count	1
10960	Mono_Isotopic_Weight	104.047344113
50938	Covalent_Unit_Count	1
24796	Exact_Mass	972.31694049
387447	Tautomer_Count	4
107646	Exact_Mass	291.0192881
11818691	Undefined_Atom_Stereo_Count	0
73174	Hydrogen_Bond_Acceptor_Count	2
449215	TPSA	64.4
259361	XLogP3-AA	1
24949245	Rotatable_Bond_Count	10
520667	Non-hydrogen_Atom_Count	7
53316386	Structure_Complexity	823
402035	Isotope_Atom_Count	0
9075	Structure_Complexity	65
68547	Defined_Atom_Stereo_Count	0
86574136	Mono_Isotopic_Weight	284.16237386
12232	Exact_Mass	93.99109254
6451477	Tautomer_Count	1
21093784	Defined_Bond_Stereo_Count	0
65411	Covalent_Unit_Count	1
6477186	Defined_Atom_Stereo_Count	1
60196375	Hydrogen_Bond_Acceptor_Count	11
260917	Exact_Mass	110.073164938
170944	Rotatable_Bond_Count	0
102334657	Defined_Bond_Stereo_Count	0
85960	TPSA	43.5
6436658	Molecular_Weight	1001.1
2691	Undefined_Bond_Stereo_Count	0
26633	Defined_Bond_Stereo_Count	0
23488	TPSA	26
132677	Hydrogen_Bond_Donor_Count	0
229075	Mono_Isotopic_Weight	110.059246208
3034645	TPSA	49.3
22829	Undefined_Bond_Stereo_Count	0
33713	Undefined_Atom_Stereo_Count	2
582251	TPSA	45.8
22340	Structure_Complexity	39.2
71541293	Exact_Mass	245.141578849
10920542	Non-hydrogen_Atom_Count	9
20811	Defined_Atom_Stereo_Count	0
18212	Structure_Complexity	166
44134719	Hydrogen_Bond_Donor_Count	5
10784	Mono_Isotopic_Weight	219.93851
163190000	Defined_Atom_Stereo_Count	12
9812710	Undefined_Bond_Stereo_Count	0
5351154	Mono_Isotopic_Weight	184.11849242
53322382	Defined_Bond_Stereo_Count	0
54421	Non-hydrogen_Atom_Count	27
126664809	XLogP3	0.9
12405	Hydrogen_Bond_Acceptor_Count	0
28679	Hydrogen_Bond_Acceptor_Count	2
8509	Total_Formal_Charge	0
26361	Structure_Complexity	297
20485906	Non-hydrogen_Atom_Count	7
12534	Undefined_Atom_Stereo_Count	0
59460	Hydrogen_Bond_Donor_Count	2
319664	Undefined_Bond_Stereo_Count	0
14572930	Hydrogen_Bond_Donor_Count	0
10796703	Isotope_Atom_Count	0
5280450	Total_Formal_Charge	0
124087	Hydrogen_Bond_Donor_Count	1
60196391	Exact_Mass	295.09245548
15566577	Covalent_Unit_Count	1
3772977	Covalent_Unit_Count	1
23310226	Structure_Complexity	306
117	Hydrogen_Bond_Donor_Count	3
62398693	Structure_Complexity	61.2
12500939	Structure_Complexity	80.2
441302	Defined_Atom_Stereo_Count	7
9061	Hydrogen_Bond_Acceptor_Count	2
41070	Undefined_Bond_Stereo_Count	0
101656013	Defined_Atom_Stereo_Count	19
16050551	Exact_Mass	367.22597718
900090	Structure_Complexity	355
5281612	Defined_Atom_Stereo_Count	0
12364760	Molecular_Weight	94.11
566597	Undefined_Bond_Stereo_Count	0
9548802	Defined_Bond_Stereo_Count	0
12865500	Non-hydrogen_Atom_Count	8
74339141	Hydrogen_Bond_Acceptor_Count	9
6439447	Undefined_Atom_Stereo_Count	0
74619	Defined_Bond_Stereo_Count	0
27879	Hydrogen_Bond_Acceptor_Count	4
439517	TPSA	125
19437571	Exact_Mass	112.088815002
21637995	Undefined_Bond_Stereo_Count	0
23165967	Undefined_Atom_Stereo_Count	1
95809	Undefined_Bond_Stereo_Count	0
636750	Hydrogen_Bond_Donor_Count	0
64498	Rotatable_Bond_Count	1
9841854	Undefined_Atom_Stereo_Count	0
65909	Undefined_Bond_Stereo_Count	0
3833333	Undefined_Atom_Stereo_Count	1
9094	Structure_Complexity	118
449	Defined_Bond_Stereo_Count	0
2741	Structure_Complexity	305
11454	Defined_Bond_Stereo_Count	0
5281520	XLogP3-AA	4.5
21935081	Undefined_Bond_Stereo_Count	0
10964423	Undefined_Atom_Stereo_Count	1
5365371	Mono_Isotopic_Weight	337.334464995
202792	TPSA	57.1
84614	Molecular_Weight	269.29
9457	Undefined_Bond_Stereo_Count	0
583337	Undefined_Atom_Stereo_Count	0
69722	XLogP3-AA	1.3
135618542	Non-hydrogen_Atom_Count	41
57992175	Defined_Atom_Stereo_Count	0
519103	Non-hydrogen_Atom_Count	18
13745	Rotatable_Bond_Count	5
51029604	Rotatable_Bond_Count	2
86289378	Structure_Complexity	4390
5288783	Hydrogen_Bond_Donor_Count	3
46837366	Hydrogen_Bond_Donor_Count	0
6590	Rotatable_Bond_Count	1
3842125	Isotope_Atom_Count	0
5323977	Rotatable_Bond_Count	0
36870	Mono_Isotopic_Weight	343.9628144
12286866	TPSA	33
54676840	Hydrogen_Bond_Acceptor_Count	4
75240	Total_Formal_Charge	0
146159982	Undefined_Bond_Stereo_Count	0
567	Isotope_Atom_Count	0
22833454	Molecular_Weight	199.38
134689013	Hydrogen_Bond_Acceptor_Count	3
12393928	XLogP3-AA	1.3
54435026	Hydrogen_Bond_Acceptor_Count	2
101925	Hydrogen_Bond_Acceptor_Count	3
69333875	Defined_Bond_Stereo_Count	0
25181471	Rotatable_Bond_Count	6
21962587	Molecular_Weight	97.16
14265	Non-hydrogen_Atom_Count	7
91262741	Undefined_Atom_Stereo_Count	0
66638	Non-hydrogen_Atom_Count	17
9432	Structure_Complexity	241
2791	Hydrogen_Bond_Acceptor_Count	6
9929138	Defined_Bond_Stereo_Count	0
22704	Undefined_Atom_Stereo_Count	0
134688323	Total_Formal_Charge	0
64427	Defined_Atom_Stereo_Count	0
49757967	Structure_Complexity	67.4
129635152	Covalent_Unit_Count	1
87105125	Mono_Isotopic_Weight	102.079312947
19437571	Non-hydrogen_Atom_Count	8
53702849	Mono_Isotopic_Weight	101.047678466
285666	Molecular_Weight	452.6
58550596	Isotope_Atom_Count	0
44521018	Structure_Complexity	427
12773795	Hydrogen_Bond_Donor_Count	0
118209567	Isotope_Atom_Count	0
14682	Isotope_Atom_Count	0
18624857	Mono_Isotopic_Weight	104.083729621
10340798	Undefined_Atom_Stereo_Count	0
7181	Non-hydrogen_Atom_Count	18
15204529	Hydrogen_Bond_Acceptor_Count	1
147594753	Defined_Bond_Stereo_Count	0
12613538	TPSA	45.6
10474	Undefined_Atom_Stereo_Count	0
129720364	Non-hydrogen_Atom_Count	20
132935795	Mono_Isotopic_Weight	199.10308534
91623917	Defined_Atom_Stereo_Count	0
72081	Molecular_Weight	1227.4
81588	XLogP3-AA	1.1
134692791	Structure_Complexity	784
9806063	Isotope_Atom_Count	0
73376	Molecular_Weight	207.3
12309460	Non-hydrogen_Atom_Count	19
206044	Rotatable_Bond_Count	12
60698	Undefined_Bond_Stereo_Count	0
91508	Hydrogen_Bond_Acceptor_Count	1
9903944	Structure_Complexity	306
1712058	Hydrogen_Bond_Donor_Count	0
55595	Exact_Mass	324.12090297
139060618	Undefined_Bond_Stereo_Count	0
18684896	Total_Formal_Charge	0
12339044	Isotope_Atom_Count	0
40520	Rotatable_Bond_Count	6
140048	Tautomer_Count	1
164575893	Total_Formal_Charge	0
101417708	TPSA	6.5
17533	Non-hydrogen_Atom_Count	17
83774	Molecular_Weight	170.63
5478817	Undefined_Bond_Stereo_Count	0
11387409	Mono_Isotopic_Weight	514.9921034
71316	XLogP3-AA	8.7
193516	TPSA	177
439233	Structure_Complexity	202
5230877	Undefined_Bond_Stereo_Count	0
250457	Covalent_Unit_Count	1
39912	Rotatable_Bond_Count	4
140248	XLogP3-AA	0.1
10154060	Defined_Atom_Stereo_Count	0
9821174	Molecular_Weight	379.5
500	Undefined_Atom_Stereo_Count	0
61120	Rotatable_Bond_Count	4
6179	Non-hydrogen_Atom_Count	10
11471380	TPSA	96.2
9852175	XLogP3-AA	5.4
900	Undefined_Bond_Stereo_Count	0
447202	Non-hydrogen_Atom_Count	55
13574480	XLogP3-AA	0.5
1548994	Undefined_Bond_Stereo_Count	0
16668	Total_Formal_Charge	0
15559311	Mono_Isotopic_Weight	842.51400504
3055957	Undefined_Bond_Stereo_Count	0
79067	Undefined_Bond_Stereo_Count	0
93074	Covalent_Unit_Count	1
3347	Non-hydrogen_Atom_Count	30
136832	Hydrogen_Bond_Donor_Count	0
163321054	TPSA	441
256539	Hydrogen_Bond_Acceptor_Count	3
90895196	Exact_Mass	180.06338810
297888	Defined_Bond_Stereo_Count	0
538972	Rotatable_Bond_Count	1
60183	Rotatable_Bond_Count	9
24950594	Rotatable_Bond_Count	4
7524	Non-hydrogen_Atom_Count	8
135423438	Molecular_Weight	539.6
185498	Total_Formal_Charge	2
2733527	Non-hydrogen_Atom_Count	13
156599225	Rotatable_Bond_Count	10
12408077	Covalent_Unit_Count	1
10087661	Hydrogen_Bond_Donor_Count	2
11029889	Undefined_Bond_Stereo_Count	0
6429029	Covalent_Unit_Count	1
54606084	Exact_Mass	480.93337931
5460467	Hydrogen_Bond_Acceptor_Count	0
142809	Covalent_Unit_Count	1
22459	XLogP3-AA	0
135546352	TPSA	50.7
12003287	Non-hydrogen_Atom_Count	12
1550846	TPSA	23.8
22832145	Non-hydrogen_Atom_Count	64
101755686	Isotope_Atom_Count	0
135437285	Defined_Atom_Stereo_Count	0
6517	Rotatable_Bond_Count	8
79688	Structure_Complexity	177
21779642	Mono_Isotopic_Weight	118.029288751
54695720	Defined_Atom_Stereo_Count	4
12209629	Molecular_Weight	127.18
12771232	Molecular_Weight	114.10
6776	Undefined_Bond_Stereo_Count	0
9818021	Total_Formal_Charge	0
4188	Defined_Atom_Stereo_Count	0
4011	XLogP3-AA	4.6
19665	Hydrogen_Bond_Donor_Count	1
56430	Non-hydrogen_Atom_Count	8
11979418	Defined_Atom_Stereo_Count	13
5454	Structure_Complexity	711
1801	Exact_Mass	160.074896272
10058531	XLogP3-AA	0.6
46173365	Mono_Isotopic_Weight	552.03040840
9966	Non-hydrogen_Atom_Count	13
2736256	Total_Formal_Charge	0
69333796	Undefined_Atom_Stereo_Count	0
11640298	TPSA	70.1
797972	Covalent_Unit_Count	1
23377189	Hydrogen_Bond_Acceptor_Count	0
33463	Structure_Complexity	761
130	Isotope_Atom_Count	0
32429	Isotope_Atom_Count	0
810229	TPSA	25.2
598427	TPSA	12
65984372	Structure_Complexity	76.1
46906035	Hydrogen_Bond_Acceptor_Count	20
13062961	Total_Formal_Charge	0
47354	Total_Formal_Charge	0
21873177	Total_Formal_Charge	0
11255988	Covalent_Unit_Count	1
117045887	XLogP3-AA	0.5
5372922	Defined_Bond_Stereo_Count	1
135436542	TPSA	53.5
18690759	Mono_Isotopic_Weight	110.109550447
136117120	Mono_Isotopic_Weight	846.44150881
11583	Tautomer_Count	3
86498	Hydrogen_Bond_Acceptor_Count	8
4101	Covalent_Unit_Count	1
5280492	XLogP3-AA	4.1
16656	Hydrogen_Bond_Acceptor_Count	0
90750	Defined_Bond_Stereo_Count	0
11953153	Structure_Complexity	746
3114	Undefined_Atom_Stereo_Count	1
11829397	Mono_Isotopic_Weight	114.068079557
1684	XLogP3-AA	4.6
129652927	TPSA	38.7
10679	Structure_Complexity	217
6568	Defined_Bond_Stereo_Count	0
6999941	TPSA	17.1
57336513	Structure_Complexity	2660
23950	Mono_Isotopic_Weight	101.904340
54758035	Exact_Mass	490.20386201
82789	Undefined_Atom_Stereo_Count	0
23635314	Undefined_Atom_Stereo_Count	0
941361	Total_Formal_Charge	0
54230	XLogP3-AA	3.3
3730	Undefined_Atom_Stereo_Count	3
3264	Covalent_Unit_Count	1
117899707	Rotatable_Bond_Count	1
179850	Exact_Mass	214.110613074
16950	Rotatable_Bond_Count	10
165600653	Isotope_Atom_Count	0
5311381	Rotatable_Bond_Count	6
9807	Hydrogen_Bond_Donor_Count	0
451187	Undefined_Atom_Stereo_Count	1
5361871	TPSA	305
3033637	Mono_Isotopic_Weight	331.11366728
59173	Tautomer_Count	1
29858	Isotope_Atom_Count	0
82593533	Defined_Atom_Stereo_Count	0
129674754	Mono_Isotopic_Weight	219.05315777
147594753	Defined_Atom_Stereo_Count	0
365	Non-hydrogen_Atom_Count	67
29138	Non-hydrogen_Atom_Count	26
75808	Total_Formal_Charge	0
22636846	Structure_Complexity	124
139589863	Mono_Isotopic_Weight	344.23514488
20100130	Non-hydrogen_Atom_Count	18
67954811	Molecular_Weight	87.12
23725082	Mono_Isotopic_Weight	723.123265
103564347	Undefined_Atom_Stereo_Count	0
44152553	Hydrogen_Bond_Acceptor_Count	5
596	Hydrogen_Bond_Donor_Count	4
139088080	Isotope_Atom_Count	0
54477013	Structure_Complexity	753
2733514	TPSA	134
65575	TPSA	20.2
5564	Hydrogen_Bond_Acceptor_Count	2
129858712	Defined_Bond_Stereo_Count	0
7567598	Non-hydrogen_Atom_Count	7
10890	Defined_Bond_Stereo_Count	0
131724228	Hydrogen_Bond_Acceptor_Count	20
12701395	Undefined_Bond_Stereo_Count	0
70070	Hydrogen_Bond_Donor_Count	0
10258195	Exact_Mass	611.25260310
7943	Undefined_Bond_Stereo_Count	0
10143016	Hydrogen_Bond_Donor_Count	1
66558664	Isotope_Atom_Count	0
135413520	Exact_Mass	471.11307191
16911	Total_Formal_Charge	0
45408	Rotatable_Bond_Count	7
6206	Total_Formal_Charge	0
65249	Mono_Isotopic_Weight	147.05315777
11561779	Total_Formal_Charge	0
234237	Molecular_Weight	202.29
5477635	Covalent_Unit_Count	1
71455278	TPSA	108
12500872	Hydrogen_Bond_Acceptor_Count	1
3037565	Hydrogen_Bond_Donor_Count	3
135923569	Hydrogen_Bond_Donor_Count	2
66263	Hydrogen_Bond_Donor_Count	1
135398654	Hydrogen_Bond_Acceptor_Count	6
1549521	Defined_Bond_Stereo_Count	1
21702783	TPSA	25.2
5282459	Isotope_Atom_Count	0
12162479	Non-hydrogen_Atom_Count	11
21139920	Total_Formal_Charge	0
4026	Defined_Atom_Stereo_Count	0
22563961	Non-hydrogen_Atom_Count	7
71773962	Hydrogen_Bond_Acceptor_Count	5
72870	Exact_Mass	187.9795702
31728	Tautomer_Count	4
18555	Tautomer_Count	1
11349389	Molecular_Weight	376.5
44571221	Defined_Bond_Stereo_Count	0
71142	Non-hydrogen_Atom_Count	28
14689526	Mono_Isotopic_Weight	112.063662883
134436906	XLogP3-AA	2.5
506152	Structure_Complexity	691
73648	XLogP3-AA	3.2
3018793	Defined_Atom_Stereo_Count	0
22967022	Hydrogen_Bond_Acceptor_Count	2
26444	Total_Formal_Charge	0
11250029	Mono_Isotopic_Weight	569.26381923
68157	Hydrogen_Bond_Donor_Count	0
2737701	Mono_Isotopic_Weight	112.04367633
51577	Covalent_Unit_Count	1
76030824	Defined_Atom_Stereo_Count	0
158800	Non-hydrogen_Atom_Count	55
520190	Hydrogen_Bond_Donor_Count	1
46830239	Molecular_Weight	378.4
5497171	Molecular_Weight	453.5
130845868	Isotope_Atom_Count	0
69949	Defined_Atom_Stereo_Count	0
657	TPSA	222
193962	Mono_Isotopic_Weight	434.04907
23677971	Hydrogen_Bond_Donor_Count	0
8995	Hydrogen_Bond_Donor_Count	0
6435893	XLogP3-AA	7.5
439255	Hydrogen_Bond_Acceptor_Count	5
260708	Exact_Mass	114.068079557
66412	Rotatable_Bond_Count	1
6951525	Covalent_Unit_Count	1
213037	Molecular_Weight	576.5
564751	Mono_Isotopic_Weight	231.162314293
643189	Hydrogen_Bond_Acceptor_Count	1
18430686	Isotope_Atom_Count	0
15707	Defined_Bond_Stereo_Count	0
17997105	Non-hydrogen_Atom_Count	7
7171	Undefined_Atom_Stereo_Count	1
12107	Undefined_Bond_Stereo_Count	0
44392124	Structure_Complexity	620
915014	Non-hydrogen_Atom_Count	26
25106	Defined_Atom_Stereo_Count	0
19979685	Exact_Mass	112.063662883
1024	Defined_Atom_Stereo_Count	0
94233	Defined_Atom_Stereo_Count	0
6223	Covalent_Unit_Count	1
15628	Defined_Bond_Stereo_Count	0
57572	Undefined_Bond_Stereo_Count	0
5324209	Undefined_Bond_Stereo_Count	0
33886	Isotope_Atom_Count	0
74802	Undefined_Bond_Stereo_Count	0
71171	Total_Formal_Charge	0
88970	Rotatable_Bond_Count	9
6627	Isotope_Atom_Count	0
59772	Defined_Atom_Stereo_Count	0
2724564	Defined_Bond_Stereo_Count	0
7209	Rotatable_Bond_Count	15
162839	Defined_Bond_Stereo_Count	0
13245702	Hydrogen_Bond_Acceptor_Count	0
10011883	Total_Formal_Charge	0
145755	Rotatable_Bond_Count	0
26865	Exact_Mass	115.063328530
96517	Undefined_Atom_Stereo_Count	0
565589	Undefined_Atom_Stereo_Count	2
9727	Mono_Isotopic_Weight	151.099714038
53936528	Covalent_Unit_Count	1
6450478	Mono_Isotopic_Weight	340.08163887
5280608	Undefined_Atom_Stereo_Count	0
9891637	Total_Formal_Charge	0
137550	Isotope_Atom_Count	0
124770286	Non-hydrogen_Atom_Count	47
55297293	Rotatable_Bond_Count	0
5067511	Rotatable_Bond_Count	1
44392167	Hydrogen_Bond_Acceptor_Count	5
3038	TPSA	137
150762	Hydrogen_Bond_Donor_Count	3
11553070	Hydrogen_Bond_Donor_Count	1
444	Non-hydrogen_Atom_Count	16
66823423	Mono_Isotopic_Weight	135.00447060
76223700	Hydrogen_Bond_Donor_Count	1
17756938	Hydrogen_Bond_Acceptor_Count	8
139589863	Covalent_Unit_Count	1
54558427	TPSA	46.5
96600	Covalent_Unit_Count	1
61129	XLogP3-AA	4.3
63650	Defined_Atom_Stereo_Count	0
11740218	Total_Formal_Charge	0
54289557	Undefined_Atom_Stereo_Count	0
122214398	Hydrogen_Bond_Acceptor_Count	13
639662	Molecular_Weight	98.19
1574	Hydrogen_Bond_Acceptor_Count	2
71027	Hydrogen_Bond_Acceptor_Count	1
129009909	Rotatable_Bond_Count	3
88631	TPSA	37.3
6516	Mono_Isotopic_Weight	190.10252097
132236745	Mono_Isotopic_Weight	112.100048391
91017818	Undefined_Bond_Stereo_Count	0
2331	Structure_Complexity	106
14493	Isotope_Atom_Count	0
279451	Exact_Mass	230.17944152
15965	Molecular_Weight	241.5
42710	Total_Formal_Charge	0
14379227	XLogP3-AA	0.5
61030	Structure_Complexity	132
21864427	Hydrogen_Bond_Donor_Count	21
606430	Defined_Atom_Stereo_Count	0
16129911	TPSA	478
31418	Defined_Atom_Stereo_Count	0
83805	TPSA	124
71248	TPSA	91.9
6717	Total_Formal_Charge	0
165880211	Covalent_Unit_Count	1
54681623	XLogP3-AA	2.7
70690020	Non-hydrogen_Atom_Count	31
66117	Mono_Isotopic_Weight	174.11167570
12225167	Defined_Bond_Stereo_Count	0
135398517	XLogP3-AA	0.3
14572930	Structure_Complexity	920
342570	Hydrogen_Bond_Donor_Count	1
70482	XLogP3-AA	0.1
12253	Hydrogen_Bond_Donor_Count	1
25683	Covalent_Unit_Count	1
5288606	Hydrogen_Bond_Acceptor_Count	1
12260467	Defined_Bond_Stereo_Count	0
141681	Tautomer_Count	1
2100	Defined_Atom_Stereo_Count	0
69086581	Defined_Atom_Stereo_Count	0
3033679	XLogP3	3.3
54684598	Covalent_Unit_Count	1
11386747	Structure_Complexity	858
54580844	Undefined_Bond_Stereo_Count	0
13707493	Undefined_Atom_Stereo_Count	0
23689036	Rotatable_Bond_Count	0
60196419	Structure_Complexity	567
66908762	Hydrogen_Bond_Acceptor_Count	1
5311201	Molecular_Weight	398.5
10949	Undefined_Atom_Stereo_Count	0
62752	Hydrogen_Bond_Acceptor_Count	2
12939	Undefined_Bond_Stereo_Count	0
53485229	Exact_Mass	113.027691913
54471	Hydrogen_Bond_Donor_Count	1
838267	Isotope_Atom_Count	0
11440685	Covalent_Unit_Count	1
156618042	Hydrogen_Bond_Acceptor_Count	11
21262	XLogP3	2.6
31364	Non-hydrogen_Atom_Count	13
56972665	Structure_Complexity	116
656495	Covalent_Unit_Count	1
91463	Molecular_Weight	170.25
5464344	Undefined_Atom_Stereo_Count	0
81255	Mono_Isotopic_Weight	200.10485899
5053503	Undefined_Bond_Stereo_Count	0
13567	Undefined_Bond_Stereo_Count	0
9688	Isotope_Atom_Count	0
56603751	Hydrogen_Bond_Acceptor_Count	9
177700	Covalent_Unit_Count	1
66879	XLogP3-AA	1.8
6390	Exact_Mass	149.886454
9918978	Defined_Atom_Stereo_Count	7
69	Non-hydrogen_Atom_Count	11
11251988	Isotope_Atom_Count	0
190291	Defined_Atom_Stereo_Count	0
19920	Molecular_Weight	116.16
57397970	Defined_Atom_Stereo_Count	1
447405	Structure_Complexity	534
44143571	XLogP3-AA	5.8
19104	Hydrogen_Bond_Acceptor_Count	3
22335779	Undefined_Atom_Stereo_Count	2
57401682	Hydrogen_Bond_Donor_Count	2
68236	Non-hydrogen_Atom_Count	12
138231	Non-hydrogen_Atom_Count	6
61274	Defined_Atom_Stereo_Count	0
5827	Rotatable_Bond_Count	2
60196297	Structure_Complexity	377
71541190	Defined_Atom_Stereo_Count	1
340026	Hydrogen_Bond_Donor_Count	1
3243871	Defined_Bond_Stereo_Count	0
97994	Defined_Atom_Stereo_Count	0
54530170	Isotope_Atom_Count	0
54697783	Defined_Atom_Stereo_Count	0
101254454	Total_Formal_Charge	0
12685	Non-hydrogen_Atom_Count	9
414709	Hydrogen_Bond_Donor_Count	1
7984	Molecular_Weight	254.41
20067437	Undefined_Atom_Stereo_Count	0
135565843	Structure_Complexity	388
135391180	Total_Formal_Charge	0
2161	Isotope_Atom_Count	0
11077077	Exact_Mass	288.1141743
13187	Molecular_Weight	142.24
56991328	Defined_Atom_Stereo_Count	0
135449284	Isotope_Atom_Count	0
142210	Hydrogen_Bond_Acceptor_Count	3
41653	Non-hydrogen_Atom_Count	63
10103118	Defined_Atom_Stereo_Count	0
56682312	Hydrogen_Bond_Donor_Count	1
9033	Covalent_Unit_Count	1
70414	Undefined_Bond_Stereo_Count	0
21998683	Exact_Mass	97.089149355
132192027	Undefined_Atom_Stereo_Count	0
162639102	Hydrogen_Bond_Acceptor_Count	11
5966	Defined_Atom_Stereo_Count	0
94097	Defined_Atom_Stereo_Count	0
123998	Exact_Mass	929.43955174
446925	Molecular_Weight	536.9
71541174	Non-hydrogen_Atom_Count	23
52931256	XLogP3-AA	11.6
67248528	Total_Formal_Charge	0
53779803	Structure_Complexity	51.9
54111	Tautomer_Count	1
7490	Rotatable_Bond_Count	2
91284311	Non-hydrogen_Atom_Count	8
129866430	Structure_Complexity	208
9578243	Mono_Isotopic_Weight	292.14230712
15522	Rotatable_Bond_Count	2
80530	Non-hydrogen_Atom_Count	12
76507	Hydrogen_Bond_Acceptor_Count	3
135071	Exact_Mass	322.15452557
129787717	Structure_Complexity	236
17605	Isotope_Atom_Count	0
413536	Structure_Complexity	281
413539	Defined_Atom_Stereo_Count	0
5281609	Undefined_Atom_Stereo_Count	0
90876488	Exact_Mass	342.11621151
70935	Rotatable_Bond_Count	0
22065792	Undefined_Atom_Stereo_Count	0
820103	XLogP3-AA	4.2
32230	Mono_Isotopic_Weight	353.12482310
104739	XLogP3	1.4
73813	Molecular_Weight	110.20
22902239	Molecular_Weight	94.11
40697	Rotatable_Bond_Count	10
61138	Covalent_Unit_Count	1
7252	Hydrogen_Bond_Donor_Count	2
13613	Exact_Mass	128.094963011
73707356	Undefined_Atom_Stereo_Count	2
347381	TPSA	83.1
1774	Covalent_Unit_Count	1
444182	Covalent_Unit_Count	1
121275199	Mono_Isotopic_Weight	112.088815002
13733	Hydrogen_Bond_Donor_Count	1
14939066	Defined_Atom_Stereo_Count	0
15347	Covalent_Unit_Count	1
57394260	Exact_Mass	361.1305526
75834	TPSA	72.1
5365793	Defined_Atom_Stereo_Count	0
675901	Undefined_Bond_Stereo_Count	0
53465	Defined_Bond_Stereo_Count	0
12005	Structure_Complexity	97.1
9176	XLogP3	6.5
441289	Defined_Atom_Stereo_Count	10
57384040	Defined_Bond_Stereo_Count	0
10011877	Defined_Bond_Stereo_Count	0
20838642	Isotope_Atom_Count	0
11321106	TPSA	8.8
60966	Hydrogen_Bond_Acceptor_Count	1
11084068	TPSA	20.2
160692	Exact_Mass	251.094628657
54677674	Rotatable_Bond_Count	6
18381	Hydrogen_Bond_Acceptor_Count	7
92231	Exact_Mass	220.182715385
135925739	Defined_Atom_Stereo_Count	9
94200	Non-hydrogen_Atom_Count	13
12754184	Defined_Bond_Stereo_Count	0
12550332	Non-hydrogen_Atom_Count	7
731455	Covalent_Unit_Count	1
65728	XLogP3-AA	8.3
54493752	Covalent_Unit_Count	1
59473233	Structure_Complexity	595
518469	Hydrogen_Bond_Donor_Count	3
53828439	Defined_Bond_Stereo_Count	0
129774195	Total_Formal_Charge	0
135398003	Undefined_Bond_Stereo_Count	0
9799061	Hydrogen_Bond_Donor_Count	3
162955685	Mono_Isotopic_Weight	342.11621151
134694052	Hydrogen_Bond_Donor_Count	2
114682	Rotatable_Bond_Count	2
114682	Hydrogen_Bond_Acceptor_Count	5
64054	Isotope_Atom_Count	0
65477	Non-hydrogen_Atom_Count	13
129010089	Mono_Isotopic_Weight	527.23263824
994360	Undefined_Bond_Stereo_Count	0
4431756	Defined_Bond_Stereo_Count	0
16073662	Total_Formal_Charge	0
6433090	Molecular_Weight	319.4
413552	Exact_Mass	318.07732408
9801	Mono_Isotopic_Weight	329.214349865
91590	Undefined_Bond_Stereo_Count	0
50163	Defined_Bond_Stereo_Count	0
3699841	Rotatable_Bond_Count	2
78896	Rotatable_Bond_Count	0
8330	Undefined_Atom_Stereo_Count	0
4954	Undefined_Bond_Stereo_Count	1
53850714	Hydrogen_Bond_Acceptor_Count	1
15677233	Total_Formal_Charge	0
5499	Defined_Atom_Stereo_Count	0
129700770	Exact_Mass	324.183778013
517922	Isotope_Atom_Count	0
150901	Defined_Bond_Stereo_Count	0
11480402	Covalent_Unit_Count	1
140048	Exact_Mass	120.02450067
527031	Undefined_Bond_Stereo_Count	0
71583603	Covalent_Unit_Count	1
5163	Non-hydrogen_Atom_Count	22
9815418	TPSA	110
72200409	Mono_Isotopic_Weight	545.26853321
130905498	Molecular_Weight	116.16
136634	Structure_Complexity	2.8
12731	Total_Formal_Charge	0
57392964	Mono_Isotopic_Weight	454.16747650
133268492	Hydrogen_Bond_Donor_Count	3
56659	Mono_Isotopic_Weight	245.08743528
6370	Undefined_Bond_Stereo_Count	0
3093785	Structure_Complexity	217
8863	Isotope_Atom_Count	0
21349800	Undefined_Bond_Stereo_Count	0
23675320	TPSA	141
16678941	Rotatable_Bond_Count	5
183	Undefined_Bond_Stereo_Count	10
21584057	Defined_Bond_Stereo_Count	0
72165228	Undefined_Bond_Stereo_Count	0
40539	Non-hydrogen_Atom_Count	13
11364421	Covalent_Unit_Count	1
54601877	Defined_Atom_Stereo_Count	0
18430686	Hydrogen_Bond_Donor_Count	2
23663973	Molecular_Weight	255.23
2292	Total_Formal_Charge	0
76973769	XLogP3-AA	2.5
9845837	XLogP3-AA	2.7
631047	Undefined_Bond_Stereo_Count	1
44311686	TPSA	117
11596660	Rotatable_Bond_Count	7
15566028	Hydrogen_Bond_Donor_Count	2
26747	Defined_Bond_Stereo_Count	0
378309	Defined_Atom_Stereo_Count	0
70610	XLogP3	0.5
70143	Isotope_Atom_Count	0
60961	Defined_Bond_Stereo_Count	0
123479258	Covalent_Unit_Count	1
51644315	Molecular_Weight	123.99
614	Defined_Atom_Stereo_Count	0
12747	TPSA	41.1
2724372	Hydrogen_Bond_Donor_Count	1
5044011	Covalent_Unit_Count	1
413537	Exact_Mass	277.10489686
6918524	Defined_Atom_Stereo_Count	0
642325	Undefined_Atom_Stereo_Count	0
48104	Molecular_Weight	259.77
398597	Rotatable_Bond_Count	7
5248048	Covalent_Unit_Count	1
701745	Covalent_Unit_Count	1
73566	Rotatable_Bond_Count	5
65790	Total_Formal_Charge	0
12210512	Undefined_Atom_Stereo_Count	1
146558401	Total_Formal_Charge	0
59149828	Isotope_Atom_Count	0
12344797	Rotatable_Bond_Count	1
11620055	Mono_Isotopic_Weight	486.1946300
83003418	Non-hydrogen_Atom_Count	7
5107	Exact_Mass	458.23179083
2734225	Mono_Isotopic_Weight	258.1862766
9892815	TPSA	123
27145	Undefined_Bond_Stereo_Count	0
53873	Hydrogen_Bond_Acceptor_Count	2
79875564	Hydrogen_Bond_Donor_Count	1
38409	Hydrogen_Bond_Donor_Count	1
1910825	Mono_Isotopic_Weight	369.19400834
65055	Isotope_Atom_Count	0
54602908	Hydrogen_Bond_Acceptor_Count	2
304265	Exact_Mass	108.068748264
40474	Hydrogen_Bond_Acceptor_Count	0
11544170	TPSA	66
145515817	Undefined_Bond_Stereo_Count	0
54276448	XLogP3-AA	0.7
2724640	Total_Formal_Charge	0
24490	Rotatable_Bond_Count	1
5353761	TPSA	26.3
100969894	Exact_Mass	116.083729621
668081	XLogP3-AA	3.7
11698	Total_Formal_Charge	0
17151	Defined_Bond_Stereo_Count	0
91182	Hydrogen_Bond_Donor_Count	0
77531	Structure_Complexity	78.4
1550846	Non-hydrogen_Atom_Count	10
27926	Isotope_Atom_Count	0
54757210	Molecular_Weight	488.6
16953	Hydrogen_Bond_Donor_Count	0
82421	Covalent_Unit_Count	3
74685	Hydrogen_Bond_Acceptor_Count	2
73759759	TPSA	237
55290981	Defined_Bond_Stereo_Count	0
30844	Rotatable_Bond_Count	4
3595299	Mono_Isotopic_Weight	117.042593085
1560	Non-hydrogen_Atom_Count	19
7015191	Hydrogen_Bond_Acceptor_Count	2
81803874	Structure_Complexity	111
12769226	Rotatable_Bond_Count	2
12375523	Undefined_Bond_Stereo_Count	0
17840535	XLogP3-AA	0.5
146159466	Molecular_Weight	398.7
71460924	Total_Formal_Charge	0
123672484	Molecular_Weight	115.17
13639661	Structure_Complexity	110
198791	Undefined_Bond_Stereo_Count	0
3661	Total_Formal_Charge	0
57013000	XLogP3-AA	0.6
440966	Total_Formal_Charge	0
66448	Structure_Complexity	351
135481969	Hydrogen_Bond_Donor_Count	3
85475	Structure_Complexity	238
3575	Covalent_Unit_Count	1
46783403	TPSA	198
129653817	Hydrogen_Bond_Donor_Count	4
3050410	Hydrogen_Bond_Acceptor_Count	3
82128	Rotatable_Bond_Count	3
18622368	Exact_Mass	113.058911855
2109	Molecular_Weight	147.13
2790	XLogP3-AA	3
19702032	Non-hydrogen_Atom_Count	8
13917	Molecular_Weight	221.29
6604200	Non-hydrogen_Atom_Count	17
163771360	Covalent_Unit_Count	1
5447	Hydrogen_Bond_Donor_Count	2
400189	Molecular_Weight	439.5
12560725	Structure_Complexity	91.7
88287569	Undefined_Atom_Stereo_Count	2
82502376	Mono_Isotopic_Weight	114.05416083
54180192	Defined_Atom_Stereo_Count	0
46206296	Undefined_Bond_Stereo_Count	0
8053	Covalent_Unit_Count	1
28281	Tautomer_Count	5
13587	Hydrogen_Bond_Donor_Count	0
30945	Exact_Mass	98.036779430
79635	Undefined_Bond_Stereo_Count	0
11610	Structure_Complexity	37.3
54012932	Hydrogen_Bond_Acceptor_Count	3
4983738	Undefined_Bond_Stereo_Count	0
9624	Total_Formal_Charge	0
3979	XLogP3-AA	6.2
4126	Exact_Mass	638.30806609
234041	Undefined_Bond_Stereo_Count	2
2540	Non-hydrogen_Atom_Count	45
64685	XLogP3	2.7
34533	Structure_Complexity	255
447835	Isotope_Atom_Count	0
16204530	Molecular_Weight	174.33
349957	Exact_Mass	329.04153
235090	Tautomer_Count	2
214038	Rotatable_Bond_Count	12
54758309	Isotope_Atom_Count	0
268473	Rotatable_Bond_Count	6
57864687	Defined_Bond_Stereo_Count	0
13031202	Molecular_Weight	196.4
83303	TPSA	26.3
53174	Hydrogen_Bond_Donor_Count	2
137474475	Covalent_Unit_Count	1
9837419	Hydrogen_Bond_Acceptor_Count	0
71398	Non-hydrogen_Atom_Count	22
139024568	Defined_Bond_Stereo_Count	0
9886	Exact_Mass	144.96418097
85822	Total_Formal_Charge	0
10044510	Undefined_Atom_Stereo_Count	0
6436126	Covalent_Unit_Count	1
87325	Undefined_Atom_Stereo_Count	0
520148	Hydrogen_Bond_Acceptor_Count	2
430795	Exact_Mass	202.21574685
6257	Rotatable_Bond_Count	4
6366720	Structure_Complexity	365
40279	Hydrogen_Bond_Acceptor_Count	4
157736	Non-hydrogen_Atom_Count	22
135565940	TPSA	66.8
7098663	Undefined_Bond_Stereo_Count	0
2320	Hydrogen_Bond_Donor_Count	3
70689350	Undefined_Atom_Stereo_Count	1
54095609	Defined_Bond_Stereo_Count	0
18755630	Covalent_Unit_Count	1
59970187	Undefined_Bond_Stereo_Count	0
151148	Rotatable_Bond_Count	5
96770	Isotope_Atom_Count	0
6425	Defined_Atom_Stereo_Count	0
69111	Structure_Complexity	138
67899	Defined_Bond_Stereo_Count	0
69849	Undefined_Bond_Stereo_Count	0
14022499	TPSA	50.5
57267	TPSA	61.8
25001850	Exact_Mass	424.20230222
46244454	Total_Formal_Charge	0
8565	Undefined_Bond_Stereo_Count	0
6713428	Rotatable_Bond_Count	1
82315	TPSA	38
4557	Hydrogen_Bond_Acceptor_Count	2
10382	Undefined_Atom_Stereo_Count	0
49865784	Molecular_Weight	352.5
11800	Defined_Bond_Stereo_Count	0
12507	Isotope_Atom_Count	0
20448997	Total_Formal_Charge	0
520455	Rotatable_Bond_Count	10
382975	Isotope_Atom_Count	0
80396	Total_Formal_Charge	0
88098	Defined_Bond_Stereo_Count	0
9806229	TPSA	73.4
67656913	Isotope_Atom_Count	0
67546	Non-hydrogen_Atom_Count	38
160753	Rotatable_Bond_Count	0
9966051	Tautomer_Count	4
90475888	TPSA	238
1080	Rotatable_Bond_Count	5
21715587	Undefined_Bond_Stereo_Count	0
90941530	Hydrogen_Bond_Donor_Count	2
21445949	Hydrogen_Bond_Acceptor_Count	2
130124973	Rotatable_Bond_Count	3
24759089	Exact_Mass	432.17975526
14463	Rotatable_Bond_Count	3
13933900	TPSA	35.3
18004024	Defined_Bond_Stereo_Count	1
7196	Exact_Mass	166.02660867
14120104	Total_Formal_Charge	0
15595455	Isotope_Atom_Count	0
85518914	Exact_Mass	112.052429494
81196	Structure_Complexity	335
24977256	Hydrogen_Bond_Acceptor_Count	1
88890027	Hydrogen_Bond_Donor_Count	0
135598760	Hydrogen_Bond_Donor_Count	2
14967	Defined_Atom_Stereo_Count	0
70301	Exact_Mass	150.079312947
68203	Molecular_Weight	532.7
54582513	Undefined_Bond_Stereo_Count	0
86063	Hydrogen_Bond_Acceptor_Count	4
24825271	Rotatable_Bond_Count	5
57568	Molecular_Weight	211.30
454216	Undefined_Bond_Stereo_Count	0
158882	TPSA	76.7
166450050	Defined_Atom_Stereo_Count	0
175915	Undefined_Bond_Stereo_Count	0
11154544	Covalent_Unit_Count	1
43095	Molecular_Weight	258.36
65963	Exact_Mass	235.03368562
162817	XLogP3-AA	3
56658318	Undefined_Atom_Stereo_Count	0
14233	Rotatable_Bond_Count	1
123894108	Defined_Atom_Stereo_Count	0
3445	TPSA	63.3
9843640	Total_Formal_Charge	0
10027781	Rotatable_Bond_Count	9
123297087	Rotatable_Bond_Count	0
21932619	Molecular_Weight	277.25
2724100	Molecular_Weight	594.5
123628	Total_Formal_Charge	0
20361855	Exact_Mass	102.079312947
34312	TPSA	63.4
19883274	Molecular_Weight	99.13
6426739	Isotope_Atom_Count	0
6024	Covalent_Unit_Count	1
439299	Total_Formal_Charge	0
10184937	Rotatable_Bond_Count	8
207286	XLogP3-AA	1.6
79964	Non-hydrogen_Atom_Count	9
946898	TPSA	70.9
7390	Non-hydrogen_Atom_Count	11
126941	Undefined_Bond_Stereo_Count	0
70769	TPSA	17.8
699683	Defined_Bond_Stereo_Count	0
16217806	Defined_Atom_Stereo_Count	1
71584405	Non-hydrogen_Atom_Count	30
18016	Rotatable_Bond_Count	16
19883347	Tautomer_Count	1
17672	Undefined_Bond_Stereo_Count	0
6727	Mono_Isotopic_Weight	457.2051535
2729103	Defined_Atom_Stereo_Count	0
84081255	Structure_Complexity	90.6
9100	Covalent_Unit_Count	1
24864821	Molecular_Weight	383.4
97959	XLogP3-AA	2.2
10398490	Covalent_Unit_Count	1
36273	Rotatable_Bond_Count	3
91501507	Exact_Mass	110.109550447
60154331	Isotope_Atom_Count	0
12502855	Mono_Isotopic_Weight	79.042199164
58645437	Hydrogen_Bond_Acceptor_Count	0
443943	Rotatable_Bond_Count	2
65710	Non-hydrogen_Atom_Count	27
12313776	Rotatable_Bond_Count	0
3734343	Structure_Complexity	343
154982320	Hydrogen_Bond_Donor_Count	0
1212	Structure_Complexity	292
134688573	Covalent_Unit_Count	1
690	Isotope_Atom_Count	0
57888	Mono_Isotopic_Weight	356.20999276
20859	Undefined_Atom_Stereo_Count	0
14892	Exact_Mass	311.1288213
3740	Molecular_Weight	1215.8
16760390	Mono_Isotopic_Weight	100.052429494
21430317	Undefined_Atom_Stereo_Count	2
70682976	Undefined_Atom_Stereo_Count	0
70943	Hydrogen_Bond_Acceptor_Count	2
14783	Isotope_Atom_Count	0
206567	Undefined_Atom_Stereo_Count	0
3463	Undefined_Atom_Stereo_Count	0
8141	Defined_Bond_Stereo_Count	0
8706	Total_Formal_Charge	0
65404	Structure_Complexity	662
97383	Covalent_Unit_Count	1
1696	Exact_Mass	202.08278087
18506426	Rotatable_Bond_Count	3
991	Covalent_Unit_Count	1
129651751	Structure_Complexity	345
342681	Mono_Isotopic_Weight	392.19071386
82143	Structure_Complexity	316
6858	Hydrogen_Bond_Donor_Count	0
15950004	Undefined_Atom_Stereo_Count	1
22065216	Isotope_Atom_Count	0
16735405	Defined_Bond_Stereo_Count	0
5460389	Undefined_Bond_Stereo_Count	0
2723772	Exact_Mass	116.01566732
6917951	Exact_Mass	398.20932405
135438424	Structure_Complexity	1040
87288706	Exact_Mass	647.99065
124226574	Covalent_Unit_Count	1
160458	Exact_Mass	128.02735756
68499424	Total_Formal_Charge	0
101115582	Non-hydrogen_Atom_Count	8
13011	Structure_Complexity	85
129634850	Rotatable_Bond_Count	1
59665343	Covalent_Unit_Count	1
96273	TPSA	25.3
52893	Rotatable_Bond_Count	12
72765870	Exact_Mass	251.094628657
81762	Rotatable_Bond_Count	3
12244	XLogP3	1.1
5804	XLogP3-AA	4.8
801471	Undefined_Atom_Stereo_Count	0
8663	Exact_Mass	144.057514874
138492	Tautomer_Count	3
69568791	TPSA	59.4
71357440	Defined_Atom_Stereo_Count	0
9871212	Rotatable_Bond_Count	12
102601743	Exact_Mass	182.07301968
3048356	Undefined_Atom_Stereo_Count	0
12674802	Undefined_Atom_Stereo_Count	0
158974	Non-hydrogen_Atom_Count	22
1758	Covalent_Unit_Count	1
52161	Exact_Mass	71.073499291
413496	Isotope_Atom_Count	0
6847	Hydrogen_Bond_Acceptor_Count	2
132420	Total_Formal_Charge	0
139024314	TPSA	60.7
228006	Undefined_Atom_Stereo_Count	1
129627923	Non-hydrogen_Atom_Count	17
9573395	TPSA	210
5528	Undefined_Bond_Stereo_Count	0
54686904	Rotatable_Bond_Count	7
61753	Undefined_Atom_Stereo_Count	0
2757950	Isotope_Atom_Count	0
21405	XLogP3	1.5
246	TPSA	89
22234	Undefined_Atom_Stereo_Count	1
2775940	Hydrogen_Bond_Acceptor_Count	1
1419	Hydrogen_Bond_Donor_Count	0
673534	Isotope_Atom_Count	0
8640	Undefined_Bond_Stereo_Count	0
3713609	Structure_Complexity	119
69957602	Defined_Bond_Stereo_Count	0
18726560	Covalent_Unit_Count	1
82505	Defined_Atom_Stereo_Count	0
87663787	XLogP3-AA	0.6
12433	Hydrogen_Bond_Acceptor_Count	2
5281672	Rotatable_Bond_Count	1
60196398	Exact_Mass	676.30296691
132941102	Undefined_Atom_Stereo_Count	0
123298537	Non-hydrogen_Atom_Count	8
6579	Hydrogen_Bond_Donor_Count	1
10775	Exact_Mass	225.10010796
140582	Molecular_Weight	98.14
60165806	Rotatable_Bond_Count	8
201749	Hydrogen_Bond_Donor_Count	2
53462828	Non-hydrogen_Atom_Count	47
11182575	Non-hydrogen_Atom_Count	7
837	Defined_Atom_Stereo_Count	0
24643	Structure_Complexity	0
188304	Hydrogen_Bond_Acceptor_Count	14
41839	Hydrogen_Bond_Acceptor_Count	3
53276	Exact_Mass	304.13355396
11297956	Defined_Bond_Stereo_Count	0
11115995	Defined_Atom_Stereo_Count	0
4792	Mono_Isotopic_Weight	616.39751874
66599	Tautomer_Count	15
989	Non-hydrogen_Atom_Count	9
71462631	Defined_Atom_Stereo_Count	1
41019	Undefined_Atom_Stereo_Count	0
21793339	Undefined_Bond_Stereo_Count	0
1551246	Covalent_Unit_Count	1
44571147	XLogP3-AA	3.4
25023858	XLogP3-AA	4
47824	Hydrogen_Bond_Donor_Count	2
2734163	Covalent_Unit_Count	2
14197638	Hydrogen_Bond_Donor_Count	0
14147354	Structure_Complexity	1910
9855445	Rotatable_Bond_Count	1
5288588	Undefined_Bond_Stereo_Count	0
449224	Mono_Isotopic_Weight	991.42555890
10807976	Rotatable_Bond_Count	5
10026007	Hydrogen_Bond_Acceptor_Count	8
3032472	Defined_Atom_Stereo_Count	0
81079	Structure_Complexity	137
7069	TPSA	77.3
73348210	Defined_Bond_Stereo_Count	0
10702	Defined_Atom_Stereo_Count	9
16129635	Rotatable_Bond_Count	19
69994	Total_Formal_Charge	0
3031	Total_Formal_Charge	0
247704	Total_Formal_Charge	0
6440900	Defined_Atom_Stereo_Count	0
11020241	Mono_Isotopic_Weight	213.9790288
124427926	Molecular_Weight	342.30
12524131	Molecular_Weight	110.15
75306	Exact_Mass	96.068748264
16213872	Undefined_Bond_Stereo_Count	0
57272	TPSA	93.7
5903	Mono_Isotopic_Weight	570.25120612
528403	TPSA	26
349713	Exact_Mass	114.068079557
21584701	Undefined_Bond_Stereo_Count	0
25683	Molecular_Weight	224.32
90498	Total_Formal_Charge	0
5280343	Total_Formal_Charge	0
208832	Defined_Atom_Stereo_Count	0
174	Hydrogen_Bond_Donor_Count	2
24086	Covalent_Unit_Count	2
528612	Exact_Mass	113.084063974
645886	Defined_Bond_Stereo_Count	0
62374	Structure_Complexity	246
89793222	Molecular_Weight	112.13
6805	TPSA	37.3
439213	Rotatable_Bond_Count	1
3073763	TPSA	24.9
2752649	Undefined_Atom_Stereo_Count	0
25204	Defined_Atom_Stereo_Count	0
53639246	Total_Formal_Charge	0
53555	Non-hydrogen_Atom_Count	21
706054	Mono_Isotopic_Weight	278.153146591
16134627	Hydrogen_Bond_Acceptor_Count	30
53685821	Mono_Isotopic_Weight	102.079312947
59087	Structure_Complexity	455
119525	Non-hydrogen_Atom_Count	29
58265621	Hydrogen_Bond_Acceptor_Count	2
449293	XLogP3-AA	0.8
87216	Mono_Isotopic_Weight	337.17500423
413547	Exact_Mass	231.186123742
9958188	Total_Formal_Charge	0
147912	Undefined_Atom_Stereo_Count	1
56924536	Exact_Mass	309.921259
71567	Undefined_Atom_Stereo_Count	0
398517	Undefined_Bond_Stereo_Count	0
419293	Covalent_Unit_Count	1
64218	Isotope_Atom_Count	0
161218	Hydrogen_Bond_Acceptor_Count	8
73082918	Hydrogen_Bond_Donor_Count	3
5313082	Total_Formal_Charge	1
10608	Total_Formal_Charge	0
237873	Defined_Bond_Stereo_Count	0
527526	Mono_Isotopic_Weight	105.057849228
12209	Structure_Complexity	88.9
5736	Tautomer_Count	1
88154	TPSA	60.7
70500258	Defined_Atom_Stereo_Count	0
825229	Non-hydrogen_Atom_Count	20
2772687	Non-hydrogen_Atom_Count	19
24972774	Molecular_Weight	111.14
59295969	Defined_Bond_Stereo_Count	0
9548619	Isotope_Atom_Count	0
3478696	XLogP3-AA	0
11046239	Tautomer_Count	1
10678193	Non-hydrogen_Atom_Count	7
65487	Exact_Mass	571.30647189
177863	Total_Formal_Charge	0
16135076	Molecular_Weight	1459.1
2530251	Non-hydrogen_Atom_Count	7
441072	Total_Formal_Charge	0
8585	Defined_Bond_Stereo_Count	0
11658655	Undefined_Atom_Stereo_Count	0
115011064	Structure_Complexity	94.7
13898	Undefined_Bond_Stereo_Count	0
31736	Defined_Atom_Stereo_Count	0
78012803	Isotope_Atom_Count	0
5357580	Defined_Bond_Stereo_Count	2
6178111	Non-hydrogen_Atom_Count	17
12715	Defined_Atom_Stereo_Count	0
23599502	Defined_Bond_Stereo_Count	0
441406	Defined_Atom_Stereo_Count	7
19078026	Undefined_Atom_Stereo_Count	2
25244760	Molecular_Weight	137.05
14061673	Isotope_Atom_Count	0
27430	Mono_Isotopic_Weight	359.1652068
13069	Defined_Atom_Stereo_Count	0
10606708	Covalent_Unit_Count	1
58084	Exact_Mass	247.9755474
6140	Isotope_Atom_Count	0
62436	Hydrogen_Bond_Acceptor_Count	1
122415	Covalent_Unit_Count	1
14347	Non-hydrogen_Atom_Count	15
71795	Mono_Isotopic_Weight	324.183778013
7973	Exact_Mass	156.95271
3832	Molecular_Weight	347.33
12774278	Total_Formal_Charge	0
6973643	Undefined_Bond_Stereo_Count	0
23695542	Hydrogen_Bond_Acceptor_Count	4
7350	Total_Formal_Charge	0
151245	TPSA	38.3
12529300	Isotope_Atom_Count	0
1004	Mono_Isotopic_Weight	97.97689557
6994977	Hydrogen_Bond_Donor_Count	3
5288600	Molecular_Weight	311.3
9865778	Defined_Bond_Stereo_Count	0
445723	Total_Formal_Charge	0
12201511	Non-hydrogen_Atom_Count	8
18944758	Hydrogen_Bond_Acceptor_Count	6
88269708	Covalent_Unit_Count	1
529399	Undefined_Atom_Stereo_Count	2
5359227	Exact_Mass	397.12903910
3286	Non-hydrogen_Atom_Count	19
2190	Undefined_Bond_Stereo_Count	0
398578	Exact_Mass	343.1582033
11848	Isotope_Atom_Count	0
66523	Molecular_Weight	240.23
76337	Defined_Bond_Stereo_Count	0
173799	Exact_Mass	464.24101810
1491	Defined_Atom_Stereo_Count	0
517045	Undefined_Bond_Stereo_Count	0
56949966	Covalent_Unit_Count	1
67350	Mono_Isotopic_Weight	266.12665706
44129648	Rotatable_Bond_Count	6
10771	Molecular_Weight	248.71
3928	XLogP3	0.2
36102	Non-hydrogen_Atom_Count	23
3417	Mono_Isotopic_Weight	138.00819570
121596237	Undefined_Bond_Stereo_Count	0
104938	Defined_Atom_Stereo_Count	10
519834	Undefined_Bond_Stereo_Count	0
70957	Hydrogen_Bond_Acceptor_Count	3
10442928	Non-hydrogen_Atom_Count	15
9794203	Total_Formal_Charge	0
57392505	Undefined_Atom_Stereo_Count	1
14821	TPSA	32.1
54166403	Hydrogen_Bond_Acceptor_Count	1
54307	Structure_Complexity	282
15179483	Defined_Atom_Stereo_Count	1
22491624	Defined_Bond_Stereo_Count	0
216208	Mono_Isotopic_Weight	505.26890461
2724259	Undefined_Atom_Stereo_Count	0
5350	Hydrogen_Bond_Donor_Count	0
8948	Mono_Isotopic_Weight	139.945464
176163	Molecular_Weight	394.5
130354549	Molecular_Weight	100.12
10220503	Covalent_Unit_Count	1
17864	XLogP3-AA	1
135413553	Isotope_Atom_Count	0
97597	Hydrogen_Bond_Donor_Count	0
2967	Undefined_Bond_Stereo_Count	0
16106473	XLogP3-AA	0.2
139087064	Mono_Isotopic_Weight	172.03804273
9949802	Exact_Mass	339.27734404
3085218	Exact_Mass	265.157897619
119693	Structure_Complexity	39.1
63954	Rotatable_Bond_Count	2
23724914	Defined_Bond_Stereo_Count	0
834519	Hydrogen_Bond_Donor_Count	2
10052690	Defined_Atom_Stereo_Count	0
16219464	Hydrogen_Bond_Acceptor_Count	16
80040	Total_Formal_Charge	0
86287410	Molecular_Weight	315.4
1485	XLogP3	2.3
60165516	Non-hydrogen_Atom_Count	20
21516003	Undefined_Bond_Stereo_Count	0
25058200	Tautomer_Count	1
67771108	Exact_Mass	100.052429494
29778	Hydrogen_Bond_Donor_Count	1
54947	Hydrogen_Bond_Donor_Count	2
115000	TPSA	61.9
71200	Exact_Mass	292.215078140
22096	Hydrogen_Bond_Acceptor_Count	7
20549002	Undefined_Bond_Stereo_Count	0
5081356	Non-hydrogen_Atom_Count	35
610161	Defined_Atom_Stereo_Count	0
87063833	Rotatable_Bond_Count	0
1539	Defined_Atom_Stereo_Count	0
6735	Hydrogen_Bond_Acceptor_Count	1
62705687	Total_Formal_Charge	0
23663539	Covalent_Unit_Count	2
37767	Defined_Atom_Stereo_Count	0
10384666	Hydrogen_Bond_Donor_Count	2
54605501	Hydrogen_Bond_Donor_Count	3
11675	Rotatable_Bond_Count	1
3871454	Structure_Complexity	548
13374320	Undefined_Atom_Stereo_Count	1
80065	Hydrogen_Bond_Donor_Count	2
7366	Molecular_Weight	134.22
5486172	Hydrogen_Bond_Donor_Count	6
146755429	Mono_Isotopic_Weight	100.100048391
71258	Hydrogen_Bond_Acceptor_Count	6
6440013	Isotope_Atom_Count	0
13898	Hydrogen_Bond_Acceptor_Count	2
84020523	Isotope_Atom_Count	0
3032338	Mono_Isotopic_Weight	104.04081944
94350	Structure_Complexity	1480
9860946	Mono_Isotopic_Weight	295.157228913
557171	Covalent_Unit_Count	1
6359	Hydrogen_Bond_Donor_Count	0
47304	Undefined_Atom_Stereo_Count	0
58247643	Hydrogen_Bond_Donor_Count	1
141192121	TPSA	40.9
14909248	Total_Formal_Charge	0
220001	Structure_Complexity	126
64369	Rotatable_Bond_Count	3
4248	Rotatable_Bond_Count	12
22833547	Covalent_Unit_Count	1
34328	Undefined_Atom_Stereo_Count	0
5478936	Non-hydrogen_Atom_Count	39
12838	XLogP3-AA	0.8
134980383	Isotope_Atom_Count	0
593411	Molecular_Weight	170.25
11831043	Defined_Atom_Stereo_Count	5
115739	Hydrogen_Bond_Acceptor_Count	3
42610	Rotatable_Bond_Count	3
7259	XLogP3	1.8
694	Exact_Mass	122.048012819
11648276	TPSA	52.8
22593	Structure_Complexity	1490
692587	Exact_Mass	325.0481262
49857672	Undefined_Bond_Stereo_Count	0
443100	Isotope_Atom_Count	0
542892	Defined_Bond_Stereo_Count	0
72683639	Defined_Bond_Stereo_Count	0
97616695	XLogP3-AA	1.5
599202	Undefined_Atom_Stereo_Count	0
29982856	TPSA	190
5287792	Covalent_Unit_Count	1
17185	Molecular_Weight	162.70
11850983	Non-hydrogen_Atom_Count	17
3015262	Total_Formal_Charge	0
44630461	Molecular_Weight	324.4
2734217	Molecular_Weight	393.5
5271569	Covalent_Unit_Count	1
72200876	Hydrogen_Bond_Acceptor_Count	7
54688697	Molecular_Weight	585.6
13631121	Structure_Complexity	72.2
358641	Mono_Isotopic_Weight	543.19000284
11667893	Non-hydrogen_Atom_Count	28
24984	Total_Formal_Charge	0
9892539	Mono_Isotopic_Weight	509.1751200
46882191	Exact_Mass	420.22737416
54584292	Molecular_Weight	382.4
15558407	Hydrogen_Bond_Donor_Count	5
69065	Hydrogen_Bond_Donor_Count	2
135399895	Mono_Isotopic_Weight	116.058577502
135569018	Undefined_Bond_Stereo_Count	0
323188	Total_Formal_Charge	0
89976630	Mono_Isotopic_Weight	107.037113783
49864536	Defined_Atom_Stereo_Count	0
71066	Rotatable_Bond_Count	6
123217479	Hydrogen_Bond_Acceptor_Count	0
58353	Undefined_Bond_Stereo_Count	0
411051	Hydrogen_Bond_Acceptor_Count	2
75460	Defined_Bond_Stereo_Count	0
4372	TPSA	66.4
870	Defined_Bond_Stereo_Count	0
1883	Total_Formal_Charge	0
79811	Undefined_Bond_Stereo_Count	0
5742832	XLogP3-AA	0.3
1800	Hydrogen_Bond_Donor_Count	3
9963148	Mono_Isotopic_Weight	987.34845584
15356533	Molecular_Weight	103.16
5352135	Mono_Isotopic_Weight	387.219829168
9120	TPSA	0
85779440	Isotope_Atom_Count	0
5370325	Isotope_Atom_Count	0
135449281	Tautomer_Count	8
73082918	Structure_Complexity	811
823	Hydrogen_Bond_Acceptor_Count	6
13820629	Total_Formal_Charge	0
24401	Covalent_Unit_Count	1
312145	Defined_Bond_Stereo_Count	0
203329	Undefined_Atom_Stereo_Count	0
31781	Exact_Mass	424.15557440
14319	XLogP3	1.9
95391	Molecular_Weight	140.18
62300	TPSA	23.6
443403	Structure_Complexity	467
543565	Undefined_Bond_Stereo_Count	0
720637	Molecular_Weight	241.67
381525	Hydrogen_Bond_Donor_Count	2
13658066	Isotope_Atom_Count	0
10553	Isotope_Atom_Count	0
104955	Tautomer_Count	1
3045381	Defined_Bond_Stereo_Count	0
55299744	Hydrogen_Bond_Donor_Count	2
24743471	Non-hydrogen_Atom_Count	28
151245	XLogP3-AA	3
320459	TPSA	75.1
15566624	Mono_Isotopic_Weight	113.084063974
451714	Undefined_Atom_Stereo_Count	0
26710	Total_Formal_Charge	0
90460054	Undefined_Atom_Stereo_Count	1
1149	Defined_Atom_Stereo_Count	0
39801	Undefined_Atom_Stereo_Count	0
54144903	Undefined_Atom_Stereo_Count	1
154225133	Mono_Isotopic_Weight	115.026943022
67128499	Non-hydrogen_Atom_Count	25
104954	TPSA	63
135992859	XLogP3-AA	2
9824562	Mono_Isotopic_Weight	441.11476979
81056	XLogP3	2
3033679	TPSA	106
90571	Isotope_Atom_Count	0
3400822	Structure_Complexity	148
88941292	Exact_Mass	112.063662883
23158703	Isotope_Atom_Count	0
277406	Undefined_Bond_Stereo_Count	0
11426929	Defined_Atom_Stereo_Count	0
20473149	Molecular_Weight	146.14
10038	Isotope_Atom_Count	0
37467	Non-hydrogen_Atom_Count	18
651720	Undefined_Atom_Stereo_Count	0
18727537	Undefined_Bond_Stereo_Count	0
13293131	Isotope_Atom_Count	0
9885355	Undefined_Atom_Stereo_Count	0
79276	Rotatable_Bond_Count	19
102119819	Defined_Bond_Stereo_Count	0
446600	Defined_Bond_Stereo_Count	0
9862272	Exact_Mass	328.1142544
13879722	Exact_Mass	102.031694049
4630	XLogP3-AA	0.4
1783	Structure_Complexity	529
8620	Undefined_Bond_Stereo_Count	0
19965	Undefined_Atom_Stereo_Count	0
24892867	TPSA	43.1
58827	Structure_Complexity	505
19846	Hydrogen_Bond_Donor_Count	1
535535	Hydrogen_Bond_Acceptor_Count	1
1225	Covalent_Unit_Count	1
3023651	Undefined_Atom_Stereo_Count	0
92822	TPSA	49.7
57341	Exact_Mass	298.14297583
67240553	Defined_Atom_Stereo_Count	0
482604	Exact_Mass	284.08575825
5462210	Defined_Bond_Stereo_Count	9
31903	Structure_Complexity	376
25154200	Exact_Mass	397.10495400
23724963	Covalent_Unit_Count	3
21014990	Undefined_Bond_Stereo_Count	0
12523	Undefined_Atom_Stereo_Count	3
815861	Isotope_Atom_Count	0
23216963	Rotatable_Bond_Count	2
17909343	Molecular_Weight	100.12
79324217	Total_Formal_Charge	0
6419984	Undefined_Atom_Stereo_Count	2
6409841	Isotope_Atom_Count	0
247704	Tautomer_Count	8
9421	Structure_Complexity	461
2603	Structure_Complexity	300
15388649	Isotope_Atom_Count	0
3614092	Hydrogen_Bond_Donor_Count	1
219096	Total_Formal_Charge	0
42608371	Isotope_Atom_Count	0
50561	TPSA	99.9
21579141	Exact_Mass	326.13655304
19373541	Molecular_Weight	116.07
21303298	Total_Formal_Charge	0
83763	Structure_Complexity	101
564664	Non-hydrogen_Atom_Count	8
12302693	Undefined_Atom_Stereo_Count	1
47676	Covalent_Unit_Count	1
89000581	Molecular_Weight	180.16
63011	Rotatable_Bond_Count	5
3461	Exact_Mass	263.07176216
23338788	Hydrogen_Bond_Acceptor_Count	2
57187562	Defined_Bond_Stereo_Count	0
55752	Covalent_Unit_Count	1
7356	Total_Formal_Charge	0
18591	Structure_Complexity	46
114682	Hydrogen_Bond_Donor_Count	4
10238746	XLogP3-AA	4.7
71562042	Non-hydrogen_Atom_Count	29
426	Rotatable_Bond_Count	11
37243	Tautomer_Count	1
9934032	Total_Formal_Charge	0
145822437	Hydrogen_Bond_Donor_Count	0
47685	Tautomer_Count	1
49778730	Defined_Bond_Stereo_Count	0
28839	Undefined_Bond_Stereo_Count	0
60988	Mono_Isotopic_Weight	252.97147929
8391	XLogP3	2.4
6536825	Defined_Bond_Stereo_Count	0
8438	Hydrogen_Bond_Acceptor_Count	3
135860757	Molecular_Weight	389.9
82652	Tautomer_Count	1
16399	TPSA	20.2
30997	Exact_Mass	203.131014166
5361202	Non-hydrogen_Atom_Count	29
35898	Molecular_Weight	276.37
122236791	TPSA	66.4
98323	TPSA	26.3
2735071	Total_Formal_Charge	0
3085877	Exact_Mass	164.058577502
21264914	Undefined_Bond_Stereo_Count	0
5460048	Structure_Complexity	133
13593923	Exact_Mass	110.073164938
74764517	TPSA	60.7
107807	Structure_Complexity	524
25127112	Defined_Bond_Stereo_Count	0
135398599	Undefined_Atom_Stereo_Count	0
7159	Mono_Isotopic_Weight	235.95366166
2734171	Mono_Isotopic_Weight	171.0814771
2762838	TPSA	12.9
16220118	Exact_Mass	313.0481653
45375806	Hydrogen_Bond_Acceptor_Count	11
25953	Defined_Bond_Stereo_Count	0
66323	Molecular_Weight	199.59
21900379	Structure_Complexity	61.5
130145595	Defined_Bond_Stereo_Count	0
81876	TPSA	87
656612	Hydrogen_Bond_Donor_Count	0
23677058	Covalent_Unit_Count	2
9116	Molecular_Weight	352.4
13331	TPSA	20.3
92238	Mono_Isotopic_Weight	206.105527694
657255	Isotope_Atom_Count	0
10898703	Non-hydrogen_Atom_Count	7
23653584	Isotope_Atom_Count	0
94154	TPSA	101
13399110	Hydrogen_Bond_Donor_Count	0
16741	TPSA	44.4
3090	Mono_Isotopic_Weight	141.053826475
123767	Defined_Atom_Stereo_Count	0
24916949	Hydrogen_Bond_Donor_Count	2
2747993	Covalent_Unit_Count	1
337121	Defined_Bond_Stereo_Count	0
11284169	Rotatable_Bond_Count	3
6401	XLogP3-AA	3
15528723	Undefined_Bond_Stereo_Count	0
191101	Defined_Bond_Stereo_Count	0
22411865	Molecular_Weight	336.12
31398	Hydrogen_Bond_Donor_Count	0
2002	Defined_Bond_Stereo_Count	0
49997	Non-hydrogen_Atom_Count	26
14523550	Undefined_Bond_Stereo_Count	0
176167	Undefined_Atom_Stereo_Count	0
1956	Defined_Atom_Stereo_Count	0
15394	Isotope_Atom_Count	0
91589206	Undefined_Atom_Stereo_Count	1
33038	Hydrogen_Bond_Acceptor_Count	2
11815296	Undefined_Atom_Stereo_Count	0
129983893	Mono_Isotopic_Weight	110.048012819
70265	Hydrogen_Bond_Donor_Count	2
16040270	Hydrogen_Bond_Acceptor_Count	1
15065	Tautomer_Count	2
22278	Tautomer_Count	5
44438318	Undefined_Atom_Stereo_Count	0
290	Hydrogen_Bond_Donor_Count	6
9934347	Rotatable_Bond_Count	7
124224930	Structure_Complexity	1370
10240789	Hydrogen_Bond_Acceptor_Count	1
129853561	Total_Formal_Charge	0
67515	Hydrogen_Bond_Donor_Count	0
88983	Defined_Bond_Stereo_Count	0
12146	Molecular_Weight	142.20
71311337	Undefined_Bond_Stereo_Count	0
23505018	Exact_Mass	116.083729621
146682529	Undefined_Atom_Stereo_Count	0
60165656	XLogP3-AA	3
12709581	Mono_Isotopic_Weight	107.048347172
67191927	XLogP3-AA	0.5
16129696	Isotope_Atom_Count	0
15767	Hydrogen_Bond_Donor_Count	0
5742673	Undefined_Bond_Stereo_Count	0
11657	Hydrogen_Bond_Acceptor_Count	0
46883470	Undefined_Bond_Stereo_Count	0
2734243	Rotatable_Bond_Count	7
2206	Molecular_Weight	188.23
591	Structure_Complexity	1570
443183	Covalent_Unit_Count	1
40579125	Hydrogen_Bond_Donor_Count	0
7601	Total_Formal_Charge	0
20485728	Hydrogen_Bond_Acceptor_Count	2
5311424	Hydrogen_Bond_Donor_Count	2
5289547	Defined_Bond_Stereo_Count	1
51138321	Defined_Bond_Stereo_Count	0
14344952	Mono_Isotopic_Weight	112.063662883
4402	Structure_Complexity	438
85922476	Structure_Complexity	99.6
9552079	Isotope_Atom_Count	0
135596593	Undefined_Bond_Stereo_Count	0
55067	Tautomer_Count	1
758641	TPSA	52
3624	Isotope_Atom_Count	0
64822	Exact_Mass	243.0298355
32069	Covalent_Unit_Count	1
46587	Rotatable_Bond_Count	5
6435801	Exact_Mass	250.07185858
542305	Rotatable_Bond_Count	4
2723733	Hydrogen_Bond_Acceptor_Count	11
23936	Isotope_Atom_Count	0
54054	Molecular_Weight	399.5
57091294	Isotope_Atom_Count	0
15904	Defined_Bond_Stereo_Count	0
51174	Structure_Complexity	623
12229396	Molecular_Weight	234.29
11264371	TPSA	103
54060	Molecular_Weight	413.5
25023847	Covalent_Unit_Count	1
9935362	Undefined_Bond_Stereo_Count	0
21264914	Hydrogen_Bond_Acceptor_Count	2
139062654	Hydrogen_Bond_Acceptor_Count	12
139061453	Hydrogen_Bond_Acceptor_Count	4
3060	Structure_Complexity	1050
91262741	XLogP3-AA	0.4
19911136	Covalent_Unit_Count	1
25163981	Mono_Isotopic_Weight	439.34100693
45214	Hydrogen_Bond_Acceptor_Count	1
44864	Undefined_Bond_Stereo_Count	0
163284980	Hydrogen_Bond_Donor_Count	11
3165	Defined_Atom_Stereo_Count	0
5311283	Undefined_Atom_Stereo_Count	1
134797	Non-hydrogen_Atom_Count	10
79422	Rotatable_Bond_Count	6
69690	Hydrogen_Bond_Donor_Count	0
19606817	Exact_Mass	96.057514874
23329956	Total_Formal_Charge	0
87663190	Undefined_Atom_Stereo_Count	0
5283736	Isotope_Atom_Count	0
15973	Isotope_Atom_Count	0
56665393	Defined_Atom_Stereo_Count	0
33630	Hydrogen_Bond_Acceptor_Count	7
121945	Isotope_Atom_Count	0
130349042	Rotatable_Bond_Count	1
456468	Structure_Complexity	93.1
21702783	Hydrogen_Bond_Acceptor_Count	1
17242	Covalent_Unit_Count	1
5408	TPSA	37.3
135418587	Exact_Mass	86.02286070
22475	Rotatable_Bond_Count	11
45116668	Molecular_Weight	110.11
305	Defined_Atom_Stereo_Count	0
134129858	Isotope_Atom_Count	0
4051541	Hydrogen_Bond_Donor_Count	1
38622	Tautomer_Count	2
54682651	TPSA	63.6
15671	Mono_Isotopic_Weight	424.9552315
129794671	Defined_Atom_Stereo_Count	0
70690020	Exact_Mass	417.21647512
16097	Non-hydrogen_Atom_Count	13
55286731	Mono_Isotopic_Weight	112.027277375
16429	Defined_Bond_Stereo_Count	0
91932	Defined_Atom_Stereo_Count	0
129627691	Undefined_Bond_Stereo_Count	0
351568	Molecular_Weight	114.15
4659	Covalent_Unit_Count	5
15564	Undefined_Bond_Stereo_Count	0
5218	Mono_Isotopic_Weight	436.28248899
21116680	XLogP3-AA	4
95809	XLogP3-AA	5.5
46587	Mono_Isotopic_Weight	253.15521754
11105327	TPSA	30.7
71586775	Covalent_Unit_Count	10
9934347	Covalent_Unit_Count	1
44562492	Mono_Isotopic_Weight	389.10856464
5059	Structure_Complexity	375
5277135	Hydrogen_Bond_Donor_Count	2
57687	Molecular_Weight	367.8
12095999	Covalent_Unit_Count	1
233058	Defined_Atom_Stereo_Count	0
68437	Total_Formal_Charge	0
15034633	Covalent_Unit_Count	1
12867427	Structure_Complexity	82.2
15532	Rotatable_Bond_Count	0
21720742	XLogP3-AA	0.7
66615627	Molecular_Weight	537.5
3400	Isotope_Atom_Count	0
1064	Non-hydrogen_Atom_Count	13
12336305	Rotatable_Bond_Count	0
11069	Defined_Bond_Stereo_Count	0
138579	Defined_Atom_Stereo_Count	0
18727537	Exact_Mass	98.084398327
13927605	Covalent_Unit_Count	1
6409633	Structure_Complexity	106
3593	Hydrogen_Bond_Donor_Count	3
54680783	Mono_Isotopic_Weight	250.08412354
22078	Hydrogen_Bond_Acceptor_Count	2
12895043	TPSA	60.7
77967	Molecular_Weight	256.23
142299	Non-hydrogen_Atom_Count	7
5378303	Mono_Isotopic_Weight	288.04946937
298391	Rotatable_Bond_Count	3
7896	Defined_Atom_Stereo_Count	0
54680660	Exact_Mass	414.26175355
5371246	Undefined_Bond_Stereo_Count	0
14964443	Exact_Mass	114.01393598
13201	Molecular_Weight	116.16
10977	Rotatable_Bond_Count	3
57053963	Hydrogen_Bond_Acceptor_Count	2
16109396	XLogP3-AA	2.6
20158038	Undefined_Bond_Stereo_Count	0
31294	Non-hydrogen_Atom_Count	6
4489	Covalent_Unit_Count	1
63303	Exact_Mass	237.05007812
5311014	Molecular_Weight	1422.7
4011	Isotope_Atom_Count	0
9051	Defined_Bond_Stereo_Count	0
58604354	Undefined_Atom_Stereo_Count	2
135564890	Defined_Bond_Stereo_Count	0
9895194	Isotope_Atom_Count	0
15560527	TPSA	63.6
21584147	Structure_Complexity	102
364810	Exact_Mass	1269.46196347
98042	Undefined_Bond_Stereo_Count	0
4458	Molecular_Weight	154.25
55299073	Molecular_Weight	113.11
19676	Covalent_Unit_Count	1
524766	Rotatable_Bond_Count	2
132282752	Isotope_Atom_Count	0
793	Defined_Bond_Stereo_Count	0
14197	XLogP3	2.2
53275765	Hydrogen_Bond_Acceptor_Count	1
52885	XLogP3	4.1
16463	Total_Formal_Charge	0
90988075	Non-hydrogen_Atom_Count	8
564664	Hydrogen_Bond_Acceptor_Count	0
89399042	Hydrogen_Bond_Acceptor_Count	2
528604	Hydrogen_Bond_Donor_Count	1
10290764	Hydrogen_Bond_Donor_Count	2
5070	Isotope_Atom_Count	0
92027383	Hydrogen_Bond_Donor_Count	0
134879127	Isotope_Atom_Count	0
5770	Hydrogen_Bond_Acceptor_Count	10
41385	Undefined_Atom_Stereo_Count	0
44571098	Non-hydrogen_Atom_Count	32
20782632	Undefined_Bond_Stereo_Count	0
87774825	Hydrogen_Bond_Donor_Count	5
21681979	Molecular_Weight	114.10
13609	TPSA	0
7579	Structure_Complexity	162
23083539	Non-hydrogen_Atom_Count	8
50367	XLogP3-AA	3.8
31370	Isotope_Atom_Count	0
92877	Exact_Mass	276.245315640
680036	Exact_Mass	332.17360725
377339	Hydrogen_Bond_Acceptor_Count	5
1549080	Total_Formal_Charge	0
73030	Isotope_Atom_Count	0
4825	Undefined_Bond_Stereo_Count	0
10558	XLogP3-AA	1.8
10966	Mono_Isotopic_Weight	87.01427034
40234	Hydrogen_Bond_Acceptor_Count	0
7075	Non-hydrogen_Atom_Count	14
599131	Defined_Atom_Stereo_Count	0
428573	Total_Formal_Charge	0
22227528	Undefined_Bond_Stereo_Count	0
137274216	TPSA	257
45375974	Defined_Bond_Stereo_Count	0
71724	Exact_Mass	359.11510657
23010	Hydrogen_Bond_Acceptor_Count	2
10180181	Covalent_Unit_Count	1
55290981	Hydrogen_Bond_Donor_Count	2
79016	Undefined_Atom_Stereo_Count	1
57004451	Defined_Atom_Stereo_Count	0
11179267	Undefined_Atom_Stereo_Count	1
76049	Hydrogen_Bond_Donor_Count	0
69442897	Covalent_Unit_Count	1
14612499	Non-hydrogen_Atom_Count	7
134687037	Exact_Mass	405.01775513
25014844	TPSA	86.2
3081077	Exact_Mass	392.118897
15904	Defined_Atom_Stereo_Count	0
243	Undefined_Atom_Stereo_Count	0
1497794	XLogP3-AA	2
102059952	Hydrogen_Bond_Donor_Count	3
26310	Defined_Bond_Stereo_Count	0
25199890	Total_Formal_Charge	0
67615000	Covalent_Unit_Count	1
23552425	Undefined_Atom_Stereo_Count	0
17882722	Molecular_Weight	114.10
25006686	Non-hydrogen_Atom_Count	32
8103	Structure_Complexity	27.4
18783247	Mono_Isotopic_Weight	150.042927438
135985157	Defined_Bond_Stereo_Count	0
37786	Tautomer_Count	1
74581	Rotatable_Bond_Count	1
10412535	Defined_Atom_Stereo_Count	4
72149	Molecular_Weight	382.5
5288799	Covalent_Unit_Count	1
91864465	TPSA	63.6
96457	Hydrogen_Bond_Acceptor_Count	3
1979	Defined_Atom_Stereo_Count	0
694634	Undefined_Atom_Stereo_Count	0
8534	Non-hydrogen_Atom_Count	22
88959077	Non-hydrogen_Atom_Count	8
31132	Undefined_Bond_Stereo_Count	0
22327	Defined_Atom_Stereo_Count	0
9954944	Exact_Mass	441.16483347
81396	Undefined_Bond_Stereo_Count	0
51971	Undefined_Atom_Stereo_Count	0
10287749	XLogP3-AA	3.6
59022304	Molecular_Weight	101.15
19789137	Rotatable_Bond_Count	1
8309	XLogP3-AA	0
61027	Defined_Bond_Stereo_Count	0
6474109	Undefined_Atom_Stereo_Count	0
21638785	TPSA	48.1
9830	Covalent_Unit_Count	1
8110	Undefined_Bond_Stereo_Count	0
12105	Defined_Bond_Stereo_Count	0
70684298	TPSA	69
9068	Non-hydrogen_Atom_Count	27
85828788	Undefined_Atom_Stereo_Count	0
883785	Hydrogen_Bond_Donor_Count	1
11208	Exact_Mass	72.057514874
2734244	Exact_Mass	240.1420914
693959	Rotatable_Bond_Count	3
153798768	Exact_Mass	93.021463719
317846	Rotatable_Bond_Count	1
5809202	Undefined_Atom_Stereo_Count	3
2740171	Mono_Isotopic_Weight	274.0985242
11614934	Structure_Complexity	806
57484	Defined_Bond_Stereo_Count	0
10219402	Hydrogen_Bond_Donor_Count	0
139938268	Undefined_Atom_Stereo_Count	1
23310226	Molecular_Weight	208.30
75982	Hydrogen_Bond_Acceptor_Count	3
53846427	Defined_Bond_Stereo_Count	0
59059044	Mono_Isotopic_Weight	112.04367633
33929	Mono_Isotopic_Weight	206.109550447
21876618	Undefined_Atom_Stereo_Count	0
146681950	Hydrogen_Bond_Donor_Count	4
28905	Total_Formal_Charge	0
88323	Hydrogen_Bond_Acceptor_Count	5
10975450	Exact_Mass	114.042927438
11009533	Non-hydrogen_Atom_Count	10
101687487	Non-hydrogen_Atom_Count	8
136146352	Covalent_Unit_Count	8
3336	Exact_Mass	315.198699802
2131	Defined_Atom_Stereo_Count	0
15627868	Hydrogen_Bond_Donor_Count	1
638105	Undefined_Bond_Stereo_Count	0
43139	Mono_Isotopic_Weight	275.15214353
61144	Defined_Bond_Stereo_Count	0
13737991	Exact_Mass	88.052429494
3826198	XLogP3-AA	1.1
5497105	Isotope_Atom_Count	0
69550	Exact_Mass	238.07020481
57061367	Total_Formal_Charge	0
703	TPSA	356
446570	Hydrogen_Bond_Donor_Count	3
3356829	Molecular_Weight	118.52
48889	Rotatable_Bond_Count	0
10412535	Hydrogen_Bond_Acceptor_Count	9
102249560	Rotatable_Bond_Count	2
759	Structure_Complexity	1720
10140	Molecular_Weight	465.6
51039094	Defined_Bond_Stereo_Count	0
69093165	Hydrogen_Bond_Acceptor_Count	1
123924	Total_Formal_Charge	0
4683	Exact_Mass	319.07257305
91365800	Structure_Complexity	96.3
53320169	Isotope_Atom_Count	0
26068	Molecular_Weight	156.26
40652	Defined_Bond_Stereo_Count	0
104746	Covalent_Unit_Count	1
5748845	Hydrogen_Bond_Acceptor_Count	12
68683665	Non-hydrogen_Atom_Count	30
54677756	Rotatable_Bond_Count	1
140377273	Covalent_Unit_Count	1
46942544	Molecular_Weight	332.4
69359	Defined_Bond_Stereo_Count	0
16212773	Mono_Isotopic_Weight	354.15646954
21131860	Defined_Bond_Stereo_Count	0
123976	Rotatable_Bond_Count	6
11274968	Total_Formal_Charge	0
53787407	Total_Formal_Charge	0
23667631	Covalent_Unit_Count	2
444008	Structure_Complexity	636
3440	Mono_Isotopic_Weight	330.0077203
21054637	Defined_Bond_Stereo_Count	0
87646	Rotatable_Bond_Count	1
123291798	Total_Formal_Charge	0
11051586	Non-hydrogen_Atom_Count	7
98172	Defined_Atom_Stereo_Count	0
18827	Molecular_Weight	128.21
147246033	Defined_Atom_Stereo_Count	0
13399	XLogP3-AA	1.2
3162	Mono_Isotopic_Weight	270.173213330
14572930	Defined_Atom_Stereo_Count	0
611967	Covalent_Unit_Count	1
118388035	TPSA	104
450050	TPSA	419
44348	Undefined_Atom_Stereo_Count	0
101813505	Defined_Atom_Stereo_Count	0
56934415	Defined_Bond_Stereo_Count	0
57395973	Covalent_Unit_Count	1
14022519	Hydrogen_Bond_Donor_Count	4
2915	Isotope_Atom_Count	0
23665888	Covalent_Unit_Count	2
2595	Total_Formal_Charge	0
17673	Hydrogen_Bond_Acceptor_Count	2
137547	Structure_Complexity	95.4
2532	Non-hydrogen_Atom_Count	26
248934	Total_Formal_Charge	0
91386640	Structure_Complexity	80.1
3081387	Undefined_Bond_Stereo_Count	0
4911	Non-hydrogen_Atom_Count	19
136502787	Structure_Complexity	107
542420	Tautomer_Count	1
44717198	Isotope_Atom_Count	0
5282183	Undefined_Bond_Stereo_Count	0
118529	Isotope_Atom_Count	0
1479479	Exact_Mass	367.0757403
4577573	Hydrogen_Bond_Acceptor_Count	5
628370	Mono_Isotopic_Weight	308.91677
102089288	Undefined_Atom_Stereo_Count	0
66102	Hydrogen_Bond_Acceptor_Count	4
7473	Structure_Complexity	122
142	Covalent_Unit_Count	1
25074469	Mono_Isotopic_Weight	1698.72556297
6917985	Structure_Complexity	409
176453	Hydrogen_Bond_Acceptor_Count	4
6850837	Hydrogen_Bond_Donor_Count	2
46205733	Mono_Isotopic_Weight	622.2324904
146013258	Covalent_Unit_Count	1
14075	Molecular_Weight	124.12
144292366	Hydrogen_Bond_Acceptor_Count	1
10031812	Exact_Mass	620.33089573
54373	TPSA	457
10004622	Undefined_Bond_Stereo_Count	0
57370084	Undefined_Bond_Stereo_Count	0
155144825	Covalent_Unit_Count	1
267577	Exact_Mass	446.04852588
53297414	Isotope_Atom_Count	0
5284461	TPSA	121
27627	Exact_Mass	98.073164938
54760130	Hydrogen_Bond_Donor_Count	2
6433513	Total_Formal_Charge	0
82740	Isotope_Atom_Count	0
11502	Undefined_Bond_Stereo_Count	1
40987	Hydrogen_Bond_Donor_Count	3
4386	Covalent_Unit_Count	1
5354280	Defined_Bond_Stereo_Count	1
12268623	Mono_Isotopic_Weight	106.053098200
68321815	Isotope_Atom_Count	0
12655091	Undefined_Atom_Stereo_Count	1
14065290	Exact_Mass	112.063662883
6533	Non-hydrogen_Atom_Count	21
24867283	Defined_Atom_Stereo_Count	14
518	Non-hydrogen_Atom_Count	64
59757974	Defined_Atom_Stereo_Count	0
67578175	Defined_Bond_Stereo_Count	0
68494	Undefined_Bond_Stereo_Count	0
6030	Undefined_Atom_Stereo_Count	0
20752947	Covalent_Unit_Count	1
400182	Defined_Atom_Stereo_Count	0
95198	Structure_Complexity	212
856	Molecular_Weight	426.7
44158859	TPSA	76
98675	Isotope_Atom_Count	0
4627783	Undefined_Bond_Stereo_Count	0
156587369	Defined_Atom_Stereo_Count	31
88908088	Defined_Bond_Stereo_Count	0
14286	Structure_Complexity	112
11768718	Hydrogen_Bond_Donor_Count	2
5388992	Undefined_Atom_Stereo_Count	0
23932	Undefined_Bond_Stereo_Count	0
68296308	TPSA	64.7
11187581	Non-hydrogen_Atom_Count	25
91985	Total_Formal_Charge	0
18175195	Undefined_Atom_Stereo_Count	0
5281607	Structure_Complexity	384
628281	Isotope_Atom_Count	0
135458645	Defined_Bond_Stereo_Count	0
52936034	Defined_Bond_Stereo_Count	0
101616631	Rotatable_Bond_Count	9
57484	Defined_Atom_Stereo_Count	0
12724623	Exact_Mass	98.073164938
6184667	Tautomer_Count	1
7351	Hydrogen_Bond_Donor_Count	0
140286824	Defined_Bond_Stereo_Count	0
258030	Total_Formal_Charge	0
131700219	Isotope_Atom_Count	10
72733907	Undefined_Bond_Stereo_Count	1
44630020	Mono_Isotopic_Weight	497.12580676
87096	Tautomer_Count	2
65055	Rotatable_Bond_Count	5
5351387	Exact_Mass	396.09740462
22099238	Isotope_Atom_Count	0
6885	Non-hydrogen_Atom_Count	10
17856473	Molecular_Weight	114.12
11542	Exact_Mass	100.125200510
101254314	Non-hydrogen_Atom_Count	12
135522261	Hydrogen_Bond_Donor_Count	4
69188	Covalent_Unit_Count	1
4140	Undefined_Atom_Stereo_Count	3
7401	Defined_Atom_Stereo_Count	0
869249	Rotatable_Bond_Count	1
70689350	Mono_Isotopic_Weight	453.25489452
5167	Hydrogen_Bond_Acceptor_Count	5
107647	Isotope_Atom_Count	0
17905	Hydrogen_Bond_Acceptor_Count	1
16132283	Hydrogen_Bond_Acceptor_Count	55
71584544	Defined_Bond_Stereo_Count	0
565391	Undefined_Bond_Stereo_Count	0
17788563	Undefined_Atom_Stereo_Count	0
44570384	Hydrogen_Bond_Donor_Count	0
123347340	TPSA	0
76441	Undefined_Bond_Stereo_Count	0
496	Undefined_Bond_Stereo_Count	0
7080	Hydrogen_Bond_Acceptor_Count	0
4045	Molecular_Weight	280.36
146199	Defined_Bond_Stereo_Count	0
7048523	Exact_Mass	131.058243149
45117282	Exact_Mass	111.032028402
289085	Covalent_Unit_Count	1
7530950	Hydrogen_Bond_Acceptor_Count	2
118451841	Rotatable_Bond_Count	0
86398	Non-hydrogen_Atom_Count	18
5078908	Mono_Isotopic_Weight	291.137162174
447956	Defined_Bond_Stereo_Count	0
46195832	Covalent_Unit_Count	1
23724827	Hydrogen_Bond_Donor_Count	3
10714	Defined_Bond_Stereo_Count	0
73355083	Hydrogen_Bond_Acceptor_Count	4
71450114	Defined_Atom_Stereo_Count	2
9811353	Defined_Atom_Stereo_Count	10
95200	Hydrogen_Bond_Donor_Count	0
55407	Total_Formal_Charge	0
178019	Defined_Bond_Stereo_Count	0
4362	Structure_Complexity	166
46783403	Molecular_Weight	785.9
2734180	Defined_Bond_Stereo_Count	0
139086359	Rotatable_Bond_Count	2
5282408	Undefined_Atom_Stereo_Count	0
285657	Defined_Bond_Stereo_Count	0
141758021	Mono_Isotopic_Weight	112.052429494
14282994	TPSA	32.8
60096125	TPSA	35.3
9246	Total_Formal_Charge	0
18755331	Total_Formal_Charge	0
58125082	Exact_Mass	109.063997236
5152771	Covalent_Unit_Count	1
1514122	Covalent_Unit_Count	1
14988399	Total_Formal_Charge	0
16213546	Mono_Isotopic_Weight	180.06338810
71225	Defined_Atom_Stereo_Count	0
602	Covalent_Unit_Count	1
13889162	Undefined_Bond_Stereo_Count	0
21956312	Hydrogen_Bond_Acceptor_Count	2
257630	XLogP3-AA	3.8
89	Tautomer_Count	21
141093	Undefined_Atom_Stereo_Count	0
129876172	Rotatable_Bond_Count	4
153400963	Defined_Atom_Stereo_Count	0
101136808	TPSA	554
85551668	Mono_Isotopic_Weight	117.042593085
165881712	Undefined_Atom_Stereo_Count	0
5282484	Hydrogen_Bond_Donor_Count	2
20498	Defined_Atom_Stereo_Count	0
54682938	Hydrogen_Bond_Donor_Count	6
75800	Defined_Atom_Stereo_Count	0
44520830	Rotatable_Bond_Count	4
32495	Defined_Bond_Stereo_Count	0
338812	Covalent_Unit_Count	1
68260833	Isotope_Atom_Count	0
18764599	Non-hydrogen_Atom_Count	8
24825758	Molecular_Weight	1169.5
9949648	XLogP3-AA	3.3
55290159	Exact_Mass	105.078978594
133082588	Hydrogen_Bond_Donor_Count	2
139142290	Molecular_Weight	925.2
58438464	Molecular_Weight	512.7
62484	Covalent_Unit_Count	1
35898	Hydrogen_Bond_Acceptor_Count	3
4038	Tautomer_Count	4
13739752	Undefined_Bond_Stereo_Count	0
115234	Structure_Complexity	791
55329	Hydrogen_Bond_Acceptor_Count	4
64987	Undefined_Atom_Stereo_Count	1
123558404	Rotatable_Bond_Count	1
11986122	Non-hydrogen_Atom_Count	14
18684078	Defined_Bond_Stereo_Count	1
79571	Exact_Mass	141.078978594
44427236	Undefined_Bond_Stereo_Count	0
72760	Undefined_Bond_Stereo_Count	0
124636142	Molecular_Weight	342.30
176960	Hydrogen_Bond_Donor_Count	1
20270668	Covalent_Unit_Count	1
12364	Isotope_Atom_Count	0
20112	Undefined_Atom_Stereo_Count	1
15190	Molecular_Weight	446.5
92729	Covalent_Unit_Count	1
2155128	Non-hydrogen_Atom_Count	31
13384041	Rotatable_Bond_Count	5
149127983	Hydrogen_Bond_Donor_Count	1
13026389	TPSA	0
4262071	Molecular_Weight	332.4
57148	Molecular_Weight	269.25
261790	Exact_Mass	867.49802062
20849107	Rotatable_Bond_Count	11
98416	Isotope_Atom_Count	0
6327546	Molecular_Weight	233.18
609844	Total_Formal_Charge	0
5128450	Defined_Atom_Stereo_Count	0
9942133	Defined_Atom_Stereo_Count	0
5904	Rotatable_Bond_Count	4
58645448	TPSA	20.2
142186967	Hydrogen_Bond_Donor_Count	3
141053308	Mono_Isotopic_Weight	100.052429494
11731903	Tautomer_Count	1
84647648	Defined_Atom_Stereo_Count	0
92629	Non-hydrogen_Atom_Count	9
1033	Covalent_Unit_Count	1
23677676	Hydrogen_Bond_Acceptor_Count	5
21915946	Isotope_Atom_Count	0
24191118	Structure_Complexity	2.8
4726	Covalent_Unit_Count	1
44423248	Undefined_Bond_Stereo_Count	0
439709	Structure_Complexity	162
65562	Undefined_Atom_Stereo_Count	0
11226684	Defined_Atom_Stereo_Count	8
10098	Rotatable_Bond_Count	0
60822	Isotope_Atom_Count	0
12473807	Rotatable_Bond_Count	0
101684738	Hydrogen_Bond_Donor_Count	1
5486705	Hydrogen_Bond_Acceptor_Count	13
97226	Rotatable_Bond_Count	1
545127	Hydrogen_Bond_Donor_Count	0
13708	Tautomer_Count	1
123959	Isotope_Atom_Count	0
139202519	TPSA	119
52943923	Structure_Complexity	385
146159909	Rotatable_Bond_Count	13
25227436	Hydrogen_Bond_Acceptor_Count	6
442021	Exact_Mass	394.18925731
5464027	Tautomer_Count	3
11150163	Mono_Isotopic_Weight	279.14705815
178	Defined_Atom_Stereo_Count	0
54153355	Structure_Complexity	240
71572	Rotatable_Bond_Count	1
69744	Undefined_Atom_Stereo_Count	0
62739	Undefined_Bond_Stereo_Count	0
9024	Mono_Isotopic_Weight	192.115029749
44310781	Defined_Bond_Stereo_Count	0
19908673	Undefined_Bond_Stereo_Count	0
22274936	Defined_Atom_Stereo_Count	0
5238	Exact_Mass	149.89424
4669250	Hydrogen_Bond_Donor_Count	1
20056627	Rotatable_Bond_Count	6
38881	Defined_Atom_Stereo_Count	0
49857317	Undefined_Atom_Stereo_Count	0
439	Non-hydrogen_Atom_Count	12
11042360	Non-hydrogen_Atom_Count	14
7941	Isotope_Atom_Count	0
115763542	Rotatable_Bond_Count	1
7163	Undefined_Atom_Stereo_Count	0
199605	Defined_Atom_Stereo_Count	1
12943941	Hydrogen_Bond_Acceptor_Count	2
68850055	XLogP3-AA	1.9
3009363	Defined_Atom_Stereo_Count	0
137231010	Rotatable_Bond_Count	5
2267	Isotope_Atom_Count	0
31374	Exact_Mass	87.068413911
10813654	Hydrogen_Bond_Acceptor_Count	10
314	TPSA	175
493082	Hydrogen_Bond_Donor_Count	0
129146	Undefined_Bond_Stereo_Count	0
45266503	Structure_Complexity	419
56643412	Rotatable_Bond_Count	6
89576913	Defined_Atom_Stereo_Count	0
167811	Mono_Isotopic_Weight	407.18616006
25271884	Undefined_Atom_Stereo_Count	0
4008	Hydrogen_Bond_Donor_Count	1
10090192	Tautomer_Count	1
53759081	XLogP3-AA	0.2
193001	Covalent_Unit_Count	1
145255275	Hydrogen_Bond_Acceptor_Count	1
72196	Mono_Isotopic_Weight	532.16615634
129720213	Non-hydrogen_Atom_Count	14
78363	Undefined_Atom_Stereo_Count	0
54187438	Total_Formal_Charge	0
44214615	Structure_Complexity	203
33960	Rotatable_Bond_Count	4
2114	Rotatable_Bond_Count	2
20883	Defined_Bond_Stereo_Count	0
20056549	TPSA	220
9975824	Molecular_Weight	361.16
53903478	Defined_Bond_Stereo_Count	0
676328	Defined_Bond_Stereo_Count	0
10776235	XLogP3-AA	5
5388879	Hydrogen_Bond_Acceptor_Count	2
14379227	TPSA	29.1
2529	Total_Formal_Charge	0
10679	Hydrogen_Bond_Donor_Count	2
4686862	Rotatable_Bond_Count	1
5881	Hydrogen_Bond_Donor_Count	1
23896	Tautomer_Count	1
143917	Isotope_Atom_Count	0
25117126	Mono_Isotopic_Weight	510.14094222
49869037	Isotope_Atom_Count	0
66868	Structure_Complexity	403
57521	Defined_Atom_Stereo_Count	0
56963	Tautomer_Count	1
150	Exact_Mass	229.03513872
129830713	Non-hydrogen_Atom_Count	15
20752353	Undefined_Bond_Stereo_Count	0
107950	Undefined_Atom_Stereo_Count	0
87157524	Undefined_Atom_Stereo_Count	0
96628	Total_Formal_Charge	0
71810	TPSA	26.3
7963	Isotope_Atom_Count	0
101094784	TPSA	69.7
101742	XLogP3-AA	4.3
165857173	Hydrogen_Bond_Donor_Count	0
487856	Molecular_Weight	209.33
11513721	Defined_Bond_Stereo_Count	1
40753	Hydrogen_Bond_Acceptor_Count	4
11954310	Structure_Complexity	807
16653	TPSA	45.6
994868	Mono_Isotopic_Weight	535.25700252
9964188	Rotatable_Bond_Count	0
75614	Isotope_Atom_Count	0
3613700	Total_Formal_Charge	0
10100	Structure_Complexity	397
807	TPSA	0
18410493	Exact_Mass	96.057514874
87501539	Exact_Mass	107.037113783
70690634	TPSA	108
447234	Hydrogen_Bond_Donor_Count	1
5459842	Hydrogen_Bond_Acceptor_Count	3
53773588	Undefined_Atom_Stereo_Count	0
11815284	Structure_Complexity	23.5
9723	Mono_Isotopic_Weight	278.17427596
49862688	Defined_Atom_Stereo_Count	0
12657448	Molecular_Weight	96.17
41114	Isotope_Atom_Count	0
39676	Structure_Complexity	391
1150567	TPSA	38.8
53316417	Exact_Mass	394.04556832
585174	Structure_Complexity	122
277767	Non-hydrogen_Atom_Count	18
5388510	Mono_Isotopic_Weight	222.0811428
54675769	XLogP3-AA	3.3
10013505	Rotatable_Bond_Count	1
81561	Undefined_Bond_Stereo_Count	0
15113581	Hydrogen_Bond_Donor_Count	1
21081761	XLogP3-AA	4.1
2676	XLogP3-AA	3.6
15301	Molecular_Weight	68.12
66041	Isotope_Atom_Count	0
59202444	Undefined_Bond_Stereo_Count	0
55423	Undefined_Atom_Stereo_Count	0
219104	TPSA	79.3
11553070	Defined_Atom_Stereo_Count	1
11630874	Undefined_Bond_Stereo_Count	0
135430308	Molecular_Weight	252.22
328257	Mono_Isotopic_Weight	97.052763847
130918	Defined_Bond_Stereo_Count	0
60612	Mono_Isotopic_Weight	200.131348519
1232	Covalent_Unit_Count	1
12657448	Hydrogen_Bond_Donor_Count	0
127832	Tautomer_Count	1
10115	Non-hydrogen_Atom_Count	30
705715	Defined_Bond_Stereo_Count	0
2950	Defined_Bond_Stereo_Count	0
31005	Undefined_Bond_Stereo_Count	0
86022	Undefined_Atom_Stereo_Count	2
39048	Isotope_Atom_Count	0
24611	Hydrogen_Bond_Donor_Count	0
54581904	Molecular_Weight	300.4
8908	Total_Formal_Charge	0
143034	Defined_Bond_Stereo_Count	0
7610	Exact_Mass	137.084063974
22954661	Defined_Atom_Stereo_Count	0
3255932	Hydrogen_Bond_Donor_Count	0
692643	Total_Formal_Charge	0
146681133	Undefined_Atom_Stereo_Count	0
45714	Hydrogen_Bond_Acceptor_Count	1
16733194	Hydrogen_Bond_Donor_Count	2
135347950	Undefined_Bond_Stereo_Count	0
6435360	Exact_Mass	501.0309674
29656	Covalent_Unit_Count	1
82935	Mono_Isotopic_Weight	93.94853
49866025	Hydrogen_Bond_Acceptor_Count	3
2733749	Non-hydrogen_Atom_Count	16
44570629	Hydrogen_Bond_Acceptor_Count	9
11503827	Rotatable_Bond_Count	5
547749	Hydrogen_Bond_Acceptor_Count	1
149437349	Undefined_Bond_Stereo_Count	0
86039889	TPSA	17.1
16211948	Isotope_Atom_Count	0
18343309	Hydrogen_Bond_Acceptor_Count	4
25199597	TPSA	94.9
6604816	Mono_Isotopic_Weight	1201.84136802
14020437	Structure_Complexity	80.2
9854489	XLogP3	4.8
60796	Structure_Complexity	402
23617351	Hydrogen_Bond_Donor_Count	4
56927690	Defined_Atom_Stereo_Count	0
86278438	XLogP3-AA	3.1
91976487	Molecular_Weight	1917.0
16132954	Isotope_Atom_Count	0
802	Defined_Bond_Stereo_Count	0
7060	Undefined_Bond_Stereo_Count	0
7364	XLogP3	1
160435	Hydrogen_Bond_Acceptor_Count	2
22321577	Covalent_Unit_Count	1
44626421	XLogP3-AA	5.6
159976	Total_Formal_Charge	0
5596	Hydrogen_Bond_Acceptor_Count	3
12358320	Covalent_Unit_Count	1
19768091	Hydrogen_Bond_Acceptor_Count	2
1252769	Hydrogen_Bond_Acceptor_Count	5
9919910	Structure_Complexity	2080
102148036	Exact_Mass	338.16304257
3881	Defined_Bond_Stereo_Count	0
9886249	Hydrogen_Bond_Donor_Count	2
107908	Molecular_Weight	78.972
54460807	XLogP3-AA	1.3
3219	Hydrogen_Bond_Donor_Count	0
3977	Isotope_Atom_Count	0
61663	Exact_Mass	126.01393598
15981894	Covalent_Unit_Count	1
2883	Hydrogen_Bond_Donor_Count	0
14281	Mono_Isotopic_Weight	236.93991
108059	XLogP3-AA	2.9
34844	TPSA	80.1
17922642	Hydrogen_Bond_Acceptor_Count	1
57621	TPSA	49.2
2179	Total_Formal_Charge	0
6538991	Defined_Atom_Stereo_Count	0
11154711	Mono_Isotopic_Weight	432.08136409
9840517	Defined_Atom_Stereo_Count	1
23352	TPSA	9.2
6365145	Undefined_Bond_Stereo_Count	0
9237	Structure_Complexity	61.5
71311162	Exact_Mass	484.072670
53930639	Isotope_Atom_Count	0
202195	Defined_Bond_Stereo_Count	0
11611	TPSA	0
74320	Molecular_Weight	412.95
2016	Undefined_Bond_Stereo_Count	0
56682313	Rotatable_Bond_Count	3
8924	Mono_Isotopic_Weight	215.236147938
15625	Exact_Mass	321.893590
34170	Structure_Complexity	143
11762	Hydrogen_Bond_Donor_Count	2
21798491	Mono_Isotopic_Weight	114.079312947
9829639	Non-hydrogen_Atom_Count	37
13548212	Undefined_Atom_Stereo_Count	0
1127	Non-hydrogen_Atom_Count	5
415868	Undefined_Atom_Stereo_Count	2
22015942	Covalent_Unit_Count	1
79828	Exact_Mass	157.93523489
31493	Undefined_Bond_Stereo_Count	0
644005	Non-hydrogen_Atom_Count	22
44249711	Mono_Isotopic_Weight	114.068079557
10154017	Total_Formal_Charge	0
58914	Isotope_Atom_Count	0
9298	Non-hydrogen_Atom_Count	16
12986439	Hydrogen_Bond_Acceptor_Count	9
53817503	XLogP3-AA	1.1
45488116	Molecular_Weight	456.4
166606713	Defined_Atom_Stereo_Count	5
21122	Mono_Isotopic_Weight	112.125200510
54576693	Exact_Mass	410.0957244
155894642	Undefined_Atom_Stereo_Count	0
133082588	Covalent_Unit_Count	2
46218908	Covalent_Unit_Count	1
21962760	Undefined_Atom_Stereo_Count	0
71352	Defined_Atom_Stereo_Count	1
14295	Undefined_Atom_Stereo_Count	1
56627	Undefined_Atom_Stereo_Count	1
104865	Exact_Mass	551.18385484
101666842	Structure_Complexity	360
544792	Covalent_Unit_Count	1
54502555	Rotatable_Bond_Count	2
85773920	Exact_Mass	100.052429494
3375	Molecular_Weight	410.5
585	XLogP3-AA	1.4
208953	Undefined_Atom_Stereo_Count	0
59859430	Non-hydrogen_Atom_Count	23
3280	Isotope_Atom_Count	0
71360804	XLogP3	2.8
701198	TPSA	76.7
44412343	Hydrogen_Bond_Donor_Count	2
7514	Undefined_Bond_Stereo_Count	0
54676743	Isotope_Atom_Count	0
131668531	Structure_Complexity	1850
12556661	Undefined_Atom_Stereo_Count	2
61056	XLogP3-AA	4.3
154101	Defined_Atom_Stereo_Count	2
71684552	Molecular_Weight	418.7
58863	Defined_Bond_Stereo_Count	0
64709	Hydrogen_Bond_Acceptor_Count	8
71363036	Hydrogen_Bond_Donor_Count	0
147336409	Mono_Isotopic_Weight	94.078250319
71450704	Total_Formal_Charge	0
161810	Total_Formal_Charge	0
994	Rotatable_Bond_Count	3
565082	TPSA	40.5
3782034	Covalent_Unit_Count	1
67473	Total_Formal_Charge	0
17865	Undefined_Atom_Stereo_Count	0
130918	Defined_Atom_Stereo_Count	0
11768539	Non-hydrogen_Atom_Count	8
16049448	Hydrogen_Bond_Acceptor_Count	7
673473	Mono_Isotopic_Weight	303.14705815
19235	Covalent_Unit_Count	1
18923110	Undefined_Atom_Stereo_Count	1
5284566	Isotope_Atom_Count	0
5478817	Mono_Isotopic_Weight	171.945894
69332648	Exact_Mass	112.063662883
137699683	Undefined_Bond_Stereo_Count	0
51041322	XLogP3	0.7
78486	Tautomer_Count	1
123187306	TPSA	0
722799	Undefined_Atom_Stereo_Count	0
539244	Mono_Isotopic_Weight	478.20029610
3941	Total_Formal_Charge	0
309734	Hydrogen_Bond_Donor_Count	1
42227	Mono_Isotopic_Weight	469.29405673
164512	Total_Formal_Charge	0
59390227	Hydrogen_Bond_Acceptor_Count	6
5361202	Defined_Atom_Stereo_Count	2
11675641	Covalent_Unit_Count	1
78323835	Hydrogen_Bond_Acceptor_Count	6
2415	Isotope_Atom_Count	0
165437289	Undefined_Atom_Stereo_Count	2
30974	Hydrogen_Bond_Donor_Count	0
11062432	Undefined_Atom_Stereo_Count	0
4731	Covalent_Unit_Count	1
118946372	Rotatable_Bond_Count	8
5366266	Covalent_Unit_Count	1
5281417	Non-hydrogen_Atom_Count	24
596	Defined_Bond_Stereo_Count	0
98633	Molecular_Weight	211.26
8142	Structure_Complexity	43.8
68182	Mono_Isotopic_Weight	128.04489933
3388710	Exact_Mass	115.00918496
25007063	XLogP3-AA	4.2
10813969	Structure_Complexity	758
83795	Mono_Isotopic_Weight	128.094963011
3773593	Defined_Atom_Stereo_Count	0
27781	Mono_Isotopic_Weight	332.188863393
12778904	Mono_Isotopic_Weight	84.068748264
12167	Hydrogen_Bond_Donor_Count	0
11013485	Hydrogen_Bond_Donor_Count	1
738952	Covalent_Unit_Count	1
71587288	Hydrogen_Bond_Acceptor_Count	6
1950	Defined_Atom_Stereo_Count	0
5284550	TPSA	28.5
7065	Hydrogen_Bond_Acceptor_Count	3
81846	Structure_Complexity	464
23189	Structure_Complexity	257
148184	Non-hydrogen_Atom_Count	18
67076419	Covalent_Unit_Count	2
4293071	Defined_Bond_Stereo_Count	0
11954310	TPSA	43.4
70981	Hydrogen_Bond_Acceptor_Count	3
12005	XLogP3	3.2
73078	Defined_Bond_Stereo_Count	0
122767	Structure_Complexity	354
68624	Defined_Bond_Stereo_Count	0
9829523	Defined_Atom_Stereo_Count	4
20614524	Hydrogen_Bond_Acceptor_Count	2
130354549	Non-hydrogen_Atom_Count	7
9828626	Structure_Complexity	1120
53316138	TPSA	170
6871216	Molecular_Weight	512.6
7029	Covalent_Unit_Count	1
689750	Mono_Isotopic_Weight	232.06703418
71322980	Rotatable_Bond_Count	3
12732836	Rotatable_Bond_Count	1
79346	XLogP3-AA	0.5
24453	Covalent_Unit_Count	1
7825	Covalent_Unit_Count	1
5187	Undefined_Atom_Stereo_Count	4
443879	Exact_Mass	325.240564612
102106219	Non-hydrogen_Atom_Count	11
3034368	Hydrogen_Bond_Donor_Count	4
24462	TPSA	88.6
46936871	Defined_Atom_Stereo_Count	5
26124	Undefined_Atom_Stereo_Count	0
12543813	Defined_Atom_Stereo_Count	0
51340308	Defined_Atom_Stereo_Count	0
55286155	Isotope_Atom_Count	0
11060054	Undefined_Atom_Stereo_Count	0
12046	Covalent_Unit_Count	1
9854012	Exact_Mass	774.9483145
5280793	Molecular_Weight	396.6
147285	Defined_Bond_Stereo_Count	0
137295283	Mono_Isotopic_Weight	690.11624602
25142312	XLogP3-AA	3.1
35754	Mono_Isotopic_Weight	281.08506629
6918606	Isotope_Atom_Count	0
148121	Molecular_Weight	477.5
11768526	Hydrogen_Bond_Acceptor_Count	1
11178236	Defined_Bond_Stereo_Count	0
11206059	Rotatable_Bond_Count	4
23675320	Defined_Bond_Stereo_Count	0
639662	Defined_Atom_Stereo_Count	0
135140866	Exact_Mass	110.059246208
5353355	Non-hydrogen_Atom_Count	23
13389335	Hydrogen_Bond_Donor_Count	1
5310969	Rotatable_Bond_Count	3
7092657	Rotatable_Bond_Count	0
7750121	TPSA	29.1
55289602	Total_Formal_Charge	0
130143669	Non-hydrogen_Atom_Count	8
6623	Exact_Mass	228.115029749
13485104	Undefined_Atom_Stereo_Count	1
49837892	Total_Formal_Charge	0
855556	Exact_Mass	293.08341252
68958	Hydrogen_Bond_Acceptor_Count	3
94313	Hydrogen_Bond_Acceptor_Count	2
11294	Exact_Mass	364.1706265
66073	TPSA	38
91936858	Isotope_Atom_Count	0
95299	Defined_Bond_Stereo_Count	0
10313094	Undefined_Bond_Stereo_Count	0
64685	Defined_Atom_Stereo_Count	0
163285334	XLogP3-AA	5.1
4743	Structure_Complexity	1060
7969	Exact_Mass	110.01902136
153684851	Isotope_Atom_Count	0
135421876	TPSA	82.5
9871420	Undefined_Atom_Stereo_Count	0
11733	Tautomer_Count	1
7435	Non-hydrogen_Atom_Count	11
545422	Defined_Bond_Stereo_Count	0
108054	Hydrogen_Bond_Acceptor_Count	1
17751002	Defined_Atom_Stereo_Count	3
68764493	Covalent_Unit_Count	1
66532	Undefined_Bond_Stereo_Count	0
43102	Hydrogen_Bond_Acceptor_Count	2
33112	Defined_Bond_Stereo_Count	0
10454	Undefined_Atom_Stereo_Count	0
447001	Mono_Isotopic_Weight	302.08923998
154108049	Defined_Atom_Stereo_Count	0
79633	Defined_Atom_Stereo_Count	0
14088498	Exact_Mass	110.084398327
134669	Defined_Bond_Stereo_Count	0
11240438	Defined_Atom_Stereo_Count	0
9954410	Isotope_Atom_Count	0
20056626	Undefined_Atom_Stereo_Count	1
136183544	Non-hydrogen_Atom_Count	31
8747	Non-hydrogen_Atom_Count	10
156615	Tautomer_Count	2
82751	Undefined_Bond_Stereo_Count	0
3330	Mono_Isotopic_Weight	254.04154528
78759	Total_Formal_Charge	0
75640	Hydrogen_Bond_Acceptor_Count	0
87747	TPSA	0
16732312	Undefined_Atom_Stereo_Count	0
44310303	XLogP3-AA	3.7
101619250	Undefined_Bond_Stereo_Count	0
5729	Non-hydrogen_Atom_Count	16
5288631	Molecular_Weight	686.4
28532	TPSA	95.6
21987711	Non-hydrogen_Atom_Count	8
71404	Defined_Atom_Stereo_Count	0
6328182	Total_Formal_Charge	0
70969	Structure_Complexity	112
5280934	Rotatable_Bond_Count	13
54023535	Isotope_Atom_Count	0
13000487	Undefined_Bond_Stereo_Count	0
8146	Rotatable_Bond_Count	6
148013616	Hydrogen_Bond_Donor_Count	2
743492	Non-hydrogen_Atom_Count	21
22157549	Non-hydrogen_Atom_Count	26
133568445	Defined_Atom_Stereo_Count	18
11970447	Hydrogen_Bond_Acceptor_Count	5
22015773	Exact_Mass	144.068748264
69091	TPSA	46.5
94247	Non-hydrogen_Atom_Count	12
22349965	Covalent_Unit_Count	1
11293303	Non-hydrogen_Atom_Count	27
66051	Undefined_Bond_Stereo_Count	0
3813	Defined_Bond_Stereo_Count	0
9929785	Molecular_Weight	380.5
63974	Total_Formal_Charge	0
791998	Exact_Mass	322.168127949
44320150	Isotope_Atom_Count	0
3037886	Covalent_Unit_Count	1
40466858	Rotatable_Bond_Count	5
5365773	Defined_Atom_Stereo_Count	0
4683	Defined_Atom_Stereo_Count	0
91329391	Covalent_Unit_Count	1
10207	Tautomer_Count	24
15110004	Rotatable_Bond_Count	4
4894	Undefined_Bond_Stereo_Count	0
91427979	Hydrogen_Bond_Acceptor_Count	0
6061	TPSA	38
60044069	Mono_Isotopic_Weight	284.16237386
56682312	Structure_Complexity	718
69982	Defined_Atom_Stereo_Count	0
89508157	Covalent_Unit_Count	1
40475	Molecular_Weight	395.3
670359	Structure_Complexity	434
219018	Total_Formal_Charge	0
25137870	TPSA	51.6
1549002	Molecular_Weight	290.4
447482	Non-hydrogen_Atom_Count	24
54151808	Mono_Isotopic_Weight	114.104465066
566136	Mono_Isotopic_Weight	112.088815002
12895043	Non-hydrogen_Atom_Count	30
20067321	TPSA	28.7
33263	Hydrogen_Bond_Donor_Count	1
5353635	Defined_Bond_Stereo_Count	1
161588	Total_Formal_Charge	0
83101	Structure_Complexity	83.3
89789591	Undefined_Atom_Stereo_Count	0
25142042	Undefined_Atom_Stereo_Count	0
104163	Exact_Mass	230.21066147
12290	Non-hydrogen_Atom_Count	7
5284373	Defined_Bond_Stereo_Count	1
54510058	Total_Formal_Charge	0
6584	Covalent_Unit_Count	1
5414	TPSA	57.2
1257	Defined_Bond_Stereo_Count	0
5440	Structure_Complexity	455
67832	Hydrogen_Bond_Donor_Count	0
11346	XLogP3	1.3
7000	Covalent_Unit_Count	1
620080	Molecular_Weight	91.11
82763	Structure_Complexity	223
53316376	Hydrogen_Bond_Acceptor_Count	10
3088	Molecular_Weight	469.6
10307851	Mono_Isotopic_Weight	100.052429494
9964065	Isotope_Atom_Count	0
2482	Hydrogen_Bond_Acceptor_Count	3
142044455	Covalent_Unit_Count	1
93680	TPSA	98.7
232326	Defined_Bond_Stereo_Count	0
131674917	Mono_Isotopic_Weight	249.979546
6386307	Covalent_Unit_Count	1
69212	Defined_Bond_Stereo_Count	0
135763205	Rotatable_Bond_Count	3
69588	TPSA	28.7
6440178	Rotatable_Bond_Count	4
6436628	Covalent_Unit_Count	2
12479	Undefined_Atom_Stereo_Count	0
105145	Mono_Isotopic_Weight	68.92557
6235	TPSA	43.2
135463451	TPSA	153
80782	Molecular_Weight	171.62
19262	Covalent_Unit_Count	1
53810451	Undefined_Bond_Stereo_Count	0
53396299	Defined_Bond_Stereo_Count	0
13028028	Molecular_Weight	103.12
5362775	Hydrogen_Bond_Acceptor_Count	1
140682152	Rotatable_Bond_Count	6
8602	Hydrogen_Bond_Acceptor_Count	2
23679966	Isotope_Atom_Count	0
26623	Hydrogen_Bond_Donor_Count	0
6457	TPSA	20.2
182677	Exact_Mass	278.297351212
133556498	Mono_Isotopic_Weight	620.23163518
6918546	TPSA	170
14103059	Molecular_Weight	897.2
71145	Hydrogen_Bond_Acceptor_Count	4
5129076	Rotatable_Bond_Count	5
4424	Undefined_Bond_Stereo_Count	2
45933886	Structure_Complexity	155
3431	Defined_Atom_Stereo_Count	0
9615347	Rotatable_Bond_Count	10
118937394	Undefined_Bond_Stereo_Count	0
66087	Mono_Isotopic_Weight	108.99862027
1878	Defined_Bond_Stereo_Count	0
132279500	Mono_Isotopic_Weight	115.00179090
46783864	Hydrogen_Bond_Donor_Count	2
135611162	Isotope_Atom_Count	0
149236349	Mono_Isotopic_Weight	116.083729621
13460453	Undefined_Atom_Stereo_Count	2
118371793	Mono_Isotopic_Weight	110.048012819
14725	Defined_Atom_Stereo_Count	0
75531	Defined_Atom_Stereo_Count	0
9816981	Undefined_Atom_Stereo_Count	0
15649173	Exact_Mass	103.099714038
34173590	Hydrogen_Bond_Acceptor_Count	11
4189	Exact_Mass	415.983074
16136245	Defined_Atom_Stereo_Count	11
96405	Covalent_Unit_Count	1
5256228	Undefined_Atom_Stereo_Count	0
2183	Defined_Bond_Stereo_Count	0
11443	Exact_Mass	174.042927438
398747	Defined_Atom_Stereo_Count	2
70695634	Structure_Complexity	574
54311720	Rotatable_Bond_Count	1
71584166	Undefined_Atom_Stereo_Count	0
81766	XLogP3-AA	0.8
81129	Rotatable_Bond_Count	1
10452	Undefined_Atom_Stereo_Count	0
12632928	Undefined_Bond_Stereo_Count	0
5311184	Covalent_Unit_Count	2
46216142	Tautomer_Count	2
70695756	Defined_Atom_Stereo_Count	0
13707482	TPSA	9.2
59082714	Exact_Mass	324.183778013
11625340	Undefined_Atom_Stereo_Count	0
5359327	Non-hydrogen_Atom_Count	1
92321	Tautomer_Count	1
73852	Non-hydrogen_Atom_Count	17
724187	Defined_Bond_Stereo_Count	0
7748	Total_Formal_Charge	0
6867	Total_Formal_Charge	0
131801066	Exact_Mass	774.17565762
101603711	Rotatable_Bond_Count	10
13573631	Mono_Isotopic_Weight	252.04811026
22563962	Total_Formal_Charge	0
16723	Isotope_Atom_Count	0
4255	Covalent_Unit_Count	1
77372	Defined_Bond_Stereo_Count	0
431097	Structure_Complexity	224
71115	Undefined_Bond_Stereo_Count	0
9888484	Hydrogen_Bond_Donor_Count	1
23724530	Covalent_Unit_Count	1
5281034	Undefined_Bond_Stereo_Count	0
121750	TPSA	98.5
444440	Hydrogen_Bond_Acceptor_Count	9
12097317	Covalent_Unit_Count	1
12614	Defined_Atom_Stereo_Count	0
9895247	Defined_Bond_Stereo_Count	0
81530	Hydrogen_Bond_Donor_Count	0
5249080	Defined_Bond_Stereo_Count	0
102592515	Covalent_Unit_Count	1
4906	Non-hydrogen_Atom_Count	16
13946908	Mono_Isotopic_Weight	114.068079557
9919942	Hydrogen_Bond_Acceptor_Count	19
123159366	Undefined_Bond_Stereo_Count	0
118988145	Molecular_Weight	665.7
4468	Total_Formal_Charge	0
35056	Structure_Complexity	154
5053	Rotatable_Bond_Count	7
66615627	Hydrogen_Bond_Acceptor_Count	6
66615705	Exact_Mass	508.1695764
38016	XLogP3	7.1
140554	Undefined_Bond_Stereo_Count	0
67058	Covalent_Unit_Count	1
69465	Tautomer_Count	1
3033	Isotope_Atom_Count	0
44453028	Mono_Isotopic_Weight	534.21547206
11207	Rotatable_Bond_Count	0
5284530	TPSA	225
5363097	Total_Formal_Charge	0
69777941	Non-hydrogen_Atom_Count	12
93032	Molecular_Weight	175.18
3000479	Rotatable_Bond_Count	8
738164	Mono_Isotopic_Weight	308.0676180
135391144	Defined_Atom_Stereo_Count	20
21865526	Mono_Isotopic_Weight	414.20423867
13401731	Covalent_Unit_Count	1
11708	XLogP3-AA	1.9
5468154	Undefined_Atom_Stereo_Count	0
69064	Total_Formal_Charge	0
78847	TPSA	81.6
42373	Structure_Complexity	474
7086	Non-hydrogen_Atom_Count	20
158785912	Non-hydrogen_Atom_Count	85
31781	Undefined_Atom_Stereo_Count	3
11954316	Undefined_Bond_Stereo_Count	0
39874	Undefined_Atom_Stereo_Count	0
72862	Non-hydrogen_Atom_Count	13
44183	XLogP3-AA	3.4
22385729	Defined_Bond_Stereo_Count	0
2610	Defined_Atom_Stereo_Count	0
12623293	XLogP3-AA	2.6
64945	Non-hydrogen_Atom_Count	33
8617	Structure_Complexity	230
135407408	Undefined_Bond_Stereo_Count	0
21226445	Tautomer_Count	1
27868	TPSA	26.3
12842606	Hydrogen_Bond_Acceptor_Count	2
162883451	Total_Formal_Charge	0
5808	Hydrogen_Bond_Acceptor_Count	4
25069561	Hydrogen_Bond_Acceptor_Count	9
6021893	Undefined_Atom_Stereo_Count	0
26423	Non-hydrogen_Atom_Count	18
13019066	Exact_Mass	416.32904526
247974	TPSA	57.5
5281056	Exact_Mass	432.16787042
10413	Non-hydrogen_Atom_Count	7
118978207	Covalent_Unit_Count	1
15926139	Undefined_Atom_Stereo_Count	0
87187801	Mono_Isotopic_Weight	112.088815002
9568077	Exact_Mass	313.1193192
2531	XLogP3	10
58453	Hydrogen_Bond_Donor_Count	1
134283942	TPSA	20.3
69732358	Mono_Isotopic_Weight	100.100048391
50943013	Undefined_Atom_Stereo_Count	2
25457	Isotope_Atom_Count	0
24848360	Exact_Mass	297.14254485
16219784	Isotope_Atom_Count	0
23675341	Covalent_Unit_Count	2
65067	Structure_Complexity	197
44199317	Total_Formal_Charge	0
99289	Defined_Bond_Stereo_Count	0
25561	Mono_Isotopic_Weight	188.07970687
5169	TPSA	61.8
20277510	XLogP3-AA	0.1
537148	Hydrogen_Bond_Acceptor_Count	1
9846078	Undefined_Atom_Stereo_Count	0
6099081	Exact_Mass	650.89915
23978	Mono_Isotopic_Weight	62.929597
1810216	Mono_Isotopic_Weight	84.032362755
687604	Mono_Isotopic_Weight	287.03646233
84720	Molecular_Weight	266.5
823960	Total_Formal_Charge	0
48068	TPSA	0
2734952	Molecular_Weight	246.25
17074	Mono_Isotopic_Weight	157.945683
4162	Covalent_Unit_Count	1
14800	Defined_Bond_Stereo_Count	0
10098	Tautomer_Count	5
89149682	Molecular_Weight	101.15
44237094	Defined_Bond_Stereo_Count	1
14989	Hydrogen_Bond_Donor_Count	7
10091748	XLogP3-AA	0
72712537	Non-hydrogen_Atom_Count	22
14906717	Hydrogen_Bond_Acceptor_Count	2
13473	Mono_Isotopic_Weight	331.1161486
8086	Hydrogen_Bond_Acceptor_Count	3
234117	Total_Formal_Charge	0
15202861	Rotatable_Bond_Count	1
13033	TPSA	0
2370	Hydrogen_Bond_Acceptor_Count	2
18798529	XLogP3-AA	3.3
5526	Hydrogen_Bond_Donor_Count	2
12714402	Undefined_Atom_Stereo_Count	1
90864	Covalent_Unit_Count	1
98471	Hydrogen_Bond_Acceptor_Count	2
48754	Exact_Mass	226.13174244
67425	Structure_Complexity	362
12948	Isotope_Atom_Count	0
13006129	Defined_Atom_Stereo_Count	4
29742	Hydrogen_Bond_Acceptor_Count	5
6712744	Hydrogen_Bond_Acceptor_Count	6
439568	XLogP3	2.7
10969	Covalent_Unit_Count	2
11072675	Isotope_Atom_Count	0
213049	Structure_Complexity	745
15321731	TPSA	24.1
57399125	Hydrogen_Bond_Acceptor_Count	7
20774103	Undefined_Atom_Stereo_Count	1
11477442	Hydrogen_Bond_Acceptor_Count	11
70381	TPSA	29.1
2724588	Isotope_Atom_Count	0
22601	Hydrogen_Bond_Acceptor_Count	5
70694228	Undefined_Atom_Stereo_Count	0
21059304	Non-hydrogen_Atom_Count	8
49692	Molecular_Weight	379.4
139062526	Mono_Isotopic_Weight	307.994077
101375997	Structure_Complexity	1840
742	Tautomer_Count	4
21749202	Isotope_Atom_Count	0
131414	Defined_Bond_Stereo_Count	0
53407792	Rotatable_Bond_Count	0
675239	Undefined_Atom_Stereo_Count	0
2618	TPSA	235
148573599	Hydrogen_Bond_Acceptor_Count	0
59653	Structure_Complexity	492
21954793	Defined_Bond_Stereo_Count	0
238498	Covalent_Unit_Count	1
2719	Hydrogen_Bond_Acceptor_Count	3
446201	Non-hydrogen_Atom_Count	49
133119158	Isotope_Atom_Count	2
19044091	Isotope_Atom_Count	0
2826036	Hydrogen_Bond_Acceptor_Count	4
28753	Undefined_Bond_Stereo_Count	0
6881	Tautomer_Count	4
7482	Defined_Atom_Stereo_Count	0
1416277	Tautomer_Count	3
142738	Molecular_Weight	108.18
3086685	Total_Formal_Charge	0
12232	Isotope_Atom_Count	0
4400696	XLogP3-AA	2.2
52949464	Defined_Atom_Stereo_Count	1
4796	Hydrogen_Bond_Donor_Count	7
54362	Hydrogen_Bond_Acceptor_Count	12
89053261	Defined_Atom_Stereo_Count	0
8912	Total_Formal_Charge	0
6604183	Isotope_Atom_Count	0
3034372	Hydrogen_Bond_Donor_Count	3
454844	Hydrogen_Bond_Acceptor_Count	3
42153	Isotope_Atom_Count	0
7657	Structure_Complexity	137
383	Molecular_Weight	1158.1
81882	Undefined_Bond_Stereo_Count	0
145705668	Undefined_Bond_Stereo_Count	2
15222	Hydrogen_Bond_Donor_Count	0
21547708	Defined_Bond_Stereo_Count	0
18200	Hydrogen_Bond_Donor_Count	1
9890377	Covalent_Unit_Count	1
24266	Undefined_Atom_Stereo_Count	0
5462951	XLogP3-AA	2.9
71360804	Isotope_Atom_Count	0
54433749	Isotope_Atom_Count	0
54024247	Hydrogen_Bond_Acceptor_Count	2
1771194	Molecular_Weight	356.5
12289998	Covalent_Unit_Count	1
123791702	Undefined_Atom_Stereo_Count	0
23663982	Hydrogen_Bond_Donor_Count	1
21303152	Structure_Complexity	113
111314	Undefined_Atom_Stereo_Count	1
3081362	Undefined_Atom_Stereo_Count	0
102358067	Hydrogen_Bond_Donor_Count	0
10125362	XLogP3-AA	3.4
42108	Rotatable_Bond_Count	4
11636816	Hydrogen_Bond_Donor_Count	1
69808	Structure_Complexity	59.1
17740	Defined_Bond_Stereo_Count	0
38221	Tautomer_Count	1
23670770	Tautomer_Count	2
5389	Total_Formal_Charge	0
41037	Hydrogen_Bond_Donor_Count	3
18413907	Total_Formal_Charge	0
21881166	Undefined_Atom_Stereo_Count	0
640308	Defined_Atom_Stereo_Count	0
57397970	Mono_Isotopic_Weight	510.19706254
20514195	Non-hydrogen_Atom_Count	7
68059	Isotope_Atom_Count	0
572516	Defined_Atom_Stereo_Count	0
101007	TPSA	55.1
52939724	Hydrogen_Bond_Acceptor_Count	8
10291131	Undefined_Atom_Stereo_Count	0
18677538	Hydrogen_Bond_Donor_Count	1
517348	Mono_Isotopic_Weight	164.04419074
2723755	Non-hydrogen_Atom_Count	6
9898619	TPSA	492
5361848	Hydrogen_Bond_Acceptor_Count	10
721	Covalent_Unit_Count	1
22000650	Hydrogen_Bond_Donor_Count	0
10390	XLogP3	4.8
70678916	Defined_Atom_Stereo_Count	0
20449	Molecular_Weight	98.10
650960	Exact_Mass	458.24302422
5486821	Isotope_Atom_Count	0
74431	Exact_Mass	269.177964357
53875238	Undefined_Atom_Stereo_Count	1
11852355	Undefined_Atom_Stereo_Count	1
101916	Isotope_Atom_Count	0
23675320	Mono_Isotopic_Weight	457.0475138
12001831	Isotope_Atom_Count	0
3427828	Isotope_Atom_Count	0
22830	Rotatable_Bond_Count	4
129840260	Hydrogen_Bond_Donor_Count	1
13044948	XLogP3-AA	0.3
54081	Rotatable_Bond_Count	12
70555429	Molecular_Weight	96.09
26193	Defined_Atom_Stereo_Count	0
7597	Molecular_Weight	214.22
16219567	Non-hydrogen_Atom_Count	23
71300750	Structure_Complexity	533
10046162	Rotatable_Bond_Count	4
57485872	Non-hydrogen_Atom_Count	8
131704172	Isotope_Atom_Count	0
9297	Isotope_Atom_Count	0
71443	Exact_Mass	407.931878
68745	TPSA	74.6
7057961	Defined_Bond_Stereo_Count	0
57558295	Covalent_Unit_Count	1
76809331	Defined_Bond_Stereo_Count	0
93542	Rotatable_Bond_Count	5
10478	Total_Formal_Charge	0
11315474	Defined_Bond_Stereo_Count	0
84661	Hydrogen_Bond_Donor_Count	0
12002494	Hydrogen_Bond_Donor_Count	1
553	Undefined_Bond_Stereo_Count	0
11608786	Undefined_Bond_Stereo_Count	0
88784945	Rotatable_Bond_Count	2
4622	Undefined_Bond_Stereo_Count	0
56928166	Molecular_Weight	2070.2
129854350	Covalent_Unit_Count	1
216992	Total_Formal_Charge	0
440211	Hydrogen_Bond_Acceptor_Count	12
53752206	Undefined_Bond_Stereo_Count	1
6465	Total_Formal_Charge	0
4224596	Undefined_Atom_Stereo_Count	0
8305	Hydrogen_Bond_Donor_Count	0
139807	Covalent_Unit_Count	1
8446	Tautomer_Count	1
3082	TPSA	105
2051	Molecular_Weight	315.75
29976	Exact_Mass	676.2529511
45116684	Hydrogen_Bond_Acceptor_Count	3
69342090	Non-hydrogen_Atom_Count	8
71505	Rotatable_Bond_Count	16
54689800	Exact_Mass	298.08412354
11721	Covalent_Unit_Count	1
24848191	Rotatable_Bond_Count	3
10942665	Undefined_Atom_Stereo_Count	0
74319	Structure_Complexity	201
62485	Structure_Complexity	417
5282547	Mono_Isotopic_Weight	486.12586950
23355	XLogP3	0
95831	Defined_Atom_Stereo_Count	0
20219	Rotatable_Bond_Count	9
7505	Hydrogen_Bond_Donor_Count	0
283654	Molecular_Weight	264.32
984	Defined_Bond_Stereo_Count	0
82607	Undefined_Bond_Stereo_Count	0
22613925	Isotope_Atom_Count	0
49864603	Rotatable_Bond_Count	6
2529	Hydrogen_Bond_Donor_Count	6
2966	Hydrogen_Bond_Donor_Count	2
433294	Structure_Complexity	2
11599973	Rotatable_Bond_Count	8
23727982	Mono_Isotopic_Weight	269.12766012
389585	Covalent_Unit_Count	1
4825	Hydrogen_Bond_Acceptor_Count	5
72521	Hydrogen_Bond_Donor_Count	3
44338587	Covalent_Unit_Count	1
148195	Undefined_Bond_Stereo_Count	0
121207396	Structure_Complexity	134
124762104	TPSA	190
413523	Molecular_Weight	322.2
27447	Hydrogen_Bond_Acceptor_Count	6
12671783	Total_Formal_Charge	0
22967022	Mono_Isotopic_Weight	101.084063974
86597	Hydrogen_Bond_Donor_Count	0
44299404	Mono_Isotopic_Weight	645.22909095
12545984	Defined_Bond_Stereo_Count	0
44237243	Exact_Mass	317.06612775
39176	Mono_Isotopic_Weight	114.104465066
6965	Defined_Bond_Stereo_Count	0
6889	TPSA	46.2
12054761	Hydrogen_Bond_Donor_Count	0
25231140	Rotatable_Bond_Count	3
16132443	TPSA	446
57782	Non-hydrogen_Atom_Count	20
12190	Molecular_Weight	120.15
49831162	Total_Formal_Charge	0
23039782	Covalent_Unit_Count	1
21702	Non-hydrogen_Atom_Count	10
9861124	Covalent_Unit_Count	1
4507	Undefined_Bond_Stereo_Count	0
534451	TPSA	12.5
157356129	Molecular_Weight	108.18
2596914	Mono_Isotopic_Weight	372.11437830
135403802	Hydrogen_Bond_Donor_Count	4
131801066	Defined_Bond_Stereo_Count	0
43331	TPSA	50.8
1140	Non-hydrogen_Atom_Count	7
89206022	Mono_Isotopic_Weight	904.44565070
61253	Non-hydrogen_Atom_Count	20
21855	Non-hydrogen_Atom_Count	22
1397	Non-hydrogen_Atom_Count	47
439711	Hydrogen_Bond_Donor_Count	1
1426	TPSA	66.8
1385	Undefined_Atom_Stereo_Count	0
52905	Undefined_Atom_Stereo_Count	0
9228	Exact_Mass	119.037113783
7385	Non-hydrogen_Atom_Count	12
76380	Undefined_Bond_Stereo_Count	0
89187208	Mono_Isotopic_Weight	416.32904526
1244460	Covalent_Unit_Count	1
12394846	Total_Formal_Charge	0
45788558	Defined_Atom_Stereo_Count	0
58223476	Defined_Bond_Stereo_Count	0
18182	Undefined_Atom_Stereo_Count	0
101828545	Undefined_Bond_Stereo_Count	0
10772946	Defined_Bond_Stereo_Count	0
10307909	Undefined_Atom_Stereo_Count	0
117326	Molecular_Weight	103.16
16129670	Rotatable_Bond_Count	132
5311505	Mono_Isotopic_Weight	449.29299411
1823	Undefined_Atom_Stereo_Count	2
297618	Isotope_Atom_Count	0
11671467	Total_Formal_Charge	0
6713443	Defined_Bond_Stereo_Count	0
129600762	Isotope_Atom_Count	0
3241	Total_Formal_Charge	0
154724068	Exact_Mass	182.07009777
20221840	Defined_Bond_Stereo_Count	0
79337	Non-hydrogen_Atom_Count	16
66	Defined_Atom_Stereo_Count	0
3437714	Defined_Bond_Stereo_Count	0
78457	Undefined_Atom_Stereo_Count	0
11347670	Exact_Mass	317.152812238
129738033	Mono_Isotopic_Weight	256.06703418
23690943	Tautomer_Count	6
44629594	Defined_Bond_Stereo_Count	0
6914	Non-hydrogen_Atom_Count	10
10002900	XLogP3-AA	2.4
5282451	Undefined_Atom_Stereo_Count	0
57159129	Hydrogen_Bond_Acceptor_Count	3
86747	Non-hydrogen_Atom_Count	30
64762	Defined_Atom_Stereo_Count	0
55287853	Defined_Bond_Stereo_Count	0
53324425	Isotope_Atom_Count	0
197883	Undefined_Atom_Stereo_Count	0
6603945	Molecular_Weight	220.25
11957468	Hydrogen_Bond_Donor_Count	3
11972518	XLogP3-AA	3.6
3414	Rotatable_Bond_Count	0
19111	Defined_Bond_Stereo_Count	0
74732	Hydrogen_Bond_Acceptor_Count	3
15077409	Defined_Atom_Stereo_Count	0
4583824	Undefined_Atom_Stereo_Count	0
306	Defined_Bond_Stereo_Count	0
6440556	Exact_Mass	449.1005556
66942740	Isotope_Atom_Count	0
3089	Defined_Atom_Stereo_Count	0
24503	Undefined_Atom_Stereo_Count	0
6440180	Exact_Mass	429.06010
443067	Tautomer_Count	4
73442	Hydrogen_Bond_Donor_Count	0
9708	Defined_Bond_Stereo_Count	0
17799937	TPSA	24.4
72137	Covalent_Unit_Count	1
55212037	Mono_Isotopic_Weight	112.027277375
158629	Exact_Mass	627.53518
7879	Rotatable_Bond_Count	34
123892691	Rotatable_Bond_Count	1
10255241	Undefined_Bond_Stereo_Count	0
57750369	Structure_Complexity	708
82220	Total_Formal_Charge	0
5462814	Tautomer_Count	3
2437245	Isotope_Atom_Count	0
135018	Defined_Atom_Stereo_Count	3
9903930	Hydrogen_Bond_Acceptor_Count	4
107647	Rotatable_Bond_Count	5
4283	Structure_Complexity	126
10131269	Defined_Bond_Stereo_Count	0
456222	Exact_Mass	237.98541
9993	Rotatable_Bond_Count	0
282752	Total_Formal_Charge	0
117881739	Total_Formal_Charge	0
911	Exact_Mass	177.04596439
4811	Mono_Isotopic_Weight	275.16337692
4065	Covalent_Unit_Count	1
66192	Defined_Atom_Stereo_Count	0
68602	Total_Formal_Charge	0
11620055	Defined_Atom_Stereo_Count	0
129734999	Defined_Atom_Stereo_Count	70
6719	Undefined_Atom_Stereo_Count	0
867	Hydrogen_Bond_Acceptor_Count	4
22220875	Non-hydrogen_Atom_Count	8
264090	Undefined_Bond_Stereo_Count	0
46783859	Total_Formal_Charge	0
71893	TPSA	37.4
3687	Isotope_Atom_Count	0
139591683	Undefined_Bond_Stereo_Count	0
10964417	XLogP3-AA	1
10022229	Defined_Bond_Stereo_Count	0
259846	TPSA	20.2
5516	Defined_Atom_Stereo_Count	0
604152	Molecular_Weight	201.26
115817	Mono_Isotopic_Weight	412.0262629
637084	Structure_Complexity	136
33137	Undefined_Atom_Stereo_Count	0
15232	Hydrogen_Bond_Acceptor_Count	12
66417	XLogP3-AA	2.9
53759081	Defined_Atom_Stereo_Count	0
129887798	Hydrogen_Bond_Donor_Count	2
10298	Total_Formal_Charge	0
40898	Undefined_Atom_Stereo_Count	2
115034	Total_Formal_Charge	0
45711	Defined_Atom_Stereo_Count	0
10894	Total_Formal_Charge	0
36688209	Hydrogen_Bond_Donor_Count	3
38019	TPSA	0
3237289	Undefined_Bond_Stereo_Count	0
135402045	Covalent_Unit_Count	1
5778	Total_Formal_Charge	0
75834	Covalent_Unit_Count	1
260809	Exact_Mass	129.042593085
51921	Molecular_Weight	318.15
5288769	Structure_Complexity	382
696858	Undefined_Bond_Stereo_Count	1
612687	Hydrogen_Bond_Acceptor_Count	4
24906324	Covalent_Unit_Count	1
102242609	Non-hydrogen_Atom_Count	24
25246317	Covalent_Unit_Count	1
17462	Isotope_Atom_Count	0
5037	Mono_Isotopic_Weight	245.152812238
184495	Tautomer_Count	3
275903	Tautomer_Count	14
688303	Exact_Mass	272.08960285
10258	Tautomer_Count	5
2342	TPSA	68.3
71311204	Molecular_Weight	376.95
139070837	Molecular_Weight	375.3
84872	Molecular_Weight	226.34
6918295	Undefined_Atom_Stereo_Count	0
77449069	Undefined_Atom_Stereo_Count	1
123938	Non-hydrogen_Atom_Count	16
445071	Undefined_Bond_Stereo_Count	0
87096	Undefined_Atom_Stereo_Count	0
72734332	Covalent_Unit_Count	1
160554	Non-hydrogen_Atom_Count	13
6327116	Mono_Isotopic_Weight	141.01054143
73895182	Non-hydrogen_Atom_Count	23
1930	Hydrogen_Bond_Acceptor_Count	1
146019527	Non-hydrogen_Atom_Count	43
10134310	Defined_Atom_Stereo_Count	0
4250	TPSA	43.8
24020	Undefined_Bond_Stereo_Count	0
71183901	Defined_Atom_Stereo_Count	0
23675341	Hydrogen_Bond_Acceptor_Count	12
9892144	Hydrogen_Bond_Acceptor_Count	8
626607	Total_Formal_Charge	0
6435801	TPSA	110
7499	Rotatable_Bond_Count	1
5284613	Mono_Isotopic_Weight	530.28796829
95659	Exact_Mass	198.104465066
16404350	Defined_Atom_Stereo_Count	3
129627812	Total_Formal_Charge	0
12529661	Hydrogen_Bond_Acceptor_Count	2
23616669	Mono_Isotopic_Weight	345.20755002
25517	Total_Formal_Charge	0
5284347	Exact_Mass	205.0658271
4220190	Non-hydrogen_Atom_Count	8
158693	Undefined_Bond_Stereo_Count	0
2180	Structure_Complexity	638
129681809	Covalent_Unit_Count	1
10920474	Hydrogen_Bond_Donor_Count	1
282518	Undefined_Bond_Stereo_Count	0
13584550	Defined_Atom_Stereo_Count	0
798	Non-hydrogen_Atom_Count	9
6919078	Molecular_Weight	171.24
8144	Total_Formal_Charge	0
135446210	Total_Formal_Charge	0
65051	Molecular_Weight	466.17
53484567	Molecular_Weight	114.14
8827	Mono_Isotopic_Weight	120.05349212
166652	Non-hydrogen_Atom_Count	7
248580	Tautomer_Count	3
138059664	TPSA	589
61237	Defined_Bond_Stereo_Count	0
11102	Non-hydrogen_Atom_Count	38
11074101	Defined_Bond_Stereo_Count	0
687	Undefined_Atom_Stereo_Count	3
66456	Hydrogen_Bond_Donor_Count	3
3437714	Defined_Atom_Stereo_Count	0
6437827	Non-hydrogen_Atom_Count	24
85983	Hydrogen_Bond_Acceptor_Count	4
10199068	Defined_Atom_Stereo_Count	2
13804284	Exact_Mass	98.048012819
134688323	Covalent_Unit_Count	1
5311381	Total_Formal_Charge	0
442632	Isotope_Atom_Count	0
3913	Undefined_Bond_Stereo_Count	0
161218	Structure_Complexity	580
161259	Structure_Complexity	1000
618542	TPSA	53.7
5282401	Defined_Atom_Stereo_Count	0
133621	Isotope_Atom_Count	0
969105	Defined_Atom_Stereo_Count	0
78959	Structure_Complexity	75.1
142119910	Exact_Mass	180.06338810
69420	Covalent_Unit_Count	1
13399110	Defined_Atom_Stereo_Count	0
140784	TPSA	0
9576891	Defined_Bond_Stereo_Count	1
61057	Defined_Bond_Stereo_Count	0
67229	Structure_Complexity	1370
6933312	Molecular_Weight	112.13
12599698	Total_Formal_Charge	0
63826	Total_Formal_Charge	0
3058221	TPSA	108
543706	Undefined_Bond_Stereo_Count	0
6399650	Covalent_Unit_Count	1
63420	Non-hydrogen_Atom_Count	25
11240424	Hydrogen_Bond_Acceptor_Count	0
123935	Exact_Mass	217.10625597
23707505	Total_Formal_Charge	0
398652	Molecular_Weight	429.5
10601	Undefined_Atom_Stereo_Count	1
65328	Defined_Bond_Stereo_Count	0
140732872	Undefined_Atom_Stereo_Count	2
4425	Rotatable_Bond_Count	2
447407	Mono_Isotopic_Weight	228.11100700
139291730	Molecular_Weight	844.0
88261	Hydrogen_Bond_Donor_Count	2
23685289	Rotatable_Bond_Count	0
135524781	Defined_Atom_Stereo_Count	0
2567	Mono_Isotopic_Weight	339.007053
1712093	Covalent_Unit_Count	1
52948201	Hydrogen_Bond_Acceptor_Count	9
6427476	Total_Formal_Charge	0
13394	Tautomer_Count	3
4610	Structure_Complexity	62.9
161094261	Isotope_Atom_Count	1
54580795	Total_Formal_Charge	0
82322	Molecular_Weight	117.15
129831313	Total_Formal_Charge	0
9954944	Rotatable_Bond_Count	8
81058	Isotope_Atom_Count	0
11208839	Molecular_Weight	301.34
92041	Undefined_Bond_Stereo_Count	0
118701745	XLogP3-AA	4.2
557796	Rotatable_Bond_Count	0
31195	Isotope_Atom_Count	0
136394191	Hydrogen_Bond_Acceptor_Count	4
65743	Undefined_Bond_Stereo_Count	0
521863	Total_Formal_Charge	0
107670	Undefined_Atom_Stereo_Count	0
91216087	XLogP3-AA	0.6
92626	Hydrogen_Bond_Donor_Count	1
17756737	Isotope_Atom_Count	0
89283371	Defined_Bond_Stereo_Count	0
427786	Exact_Mass	258.136827821
23160059	Tautomer_Count	1
24884488	Hydrogen_Bond_Donor_Count	0
42334	Hydrogen_Bond_Acceptor_Count	3
173548	Defined_Bond_Stereo_Count	0
447360	Exact_Mass	436.0430605
19080487	Hydrogen_Bond_Acceptor_Count	1
521261	Covalent_Unit_Count	1
16221342	Exact_Mass	539.24564420
2756	Exact_Mass	252.11571571
6538991	Hydrogen_Bond_Donor_Count	3
127757	Exact_Mass	452.22122615
4168142	Defined_Bond_Stereo_Count	0
125127453	Covalent_Unit_Count	1
17161	TPSA	34.1
78015	Structure_Complexity	95
5289159	Hydrogen_Bond_Donor_Count	1
13528	Hydrogen_Bond_Donor_Count	0
6917771	Non-hydrogen_Atom_Count	21
26956	Undefined_Bond_Stereo_Count	1
6426685	Hydrogen_Bond_Acceptor_Count	2
6436658	Hydrogen_Bond_Donor_Count	4
19687	Undefined_Atom_Stereo_Count	0
56973	Exact_Mass	233.116426730
86240135	Rotatable_Bond_Count	1
98047	Defined_Bond_Stereo_Count	0
124249048	Hydrogen_Bond_Donor_Count	0
13574952	TPSA	38.7
21806652	Defined_Atom_Stereo_Count	0
178925	Molecular_Weight	193.24
16212247	Rotatable_Bond_Count	0
2540	Hydrogen_Bond_Donor_Count	1
71586775	Molecular_Weight	360.31
139269842	Total_Formal_Charge	0
21660	Structure_Complexity	346
14063315	Hydrogen_Bond_Donor_Count	0
7520	Molecular_Weight	124.21
90750	Structure_Complexity	395
19974934	Hydrogen_Bond_Donor_Count	0
38052	Covalent_Unit_Count	1
6921821	Undefined_Bond_Stereo_Count	0
103439991	XLogP3-AA	0.2
89273	Defined_Bond_Stereo_Count	0
67215	TPSA	6.5
66598080	Non-hydrogen_Atom_Count	30
117814470	Structure_Complexity	127
153932472	XLogP3-AA	1.2
16089914	Defined_Bond_Stereo_Count	0
56955182	XLogP3-AA	4
56673551	Defined_Bond_Stereo_Count	0
180576	TPSA	40.5
439217	Rotatable_Bond_Count	3
140695	Hydrogen_Bond_Donor_Count	0
53318411	Hydrogen_Bond_Donor_Count	0
7832	Isotope_Atom_Count	0
5365552	Defined_Atom_Stereo_Count	0
95162416	Hydrogen_Bond_Donor_Count	8
34755	Defined_Atom_Stereo_Count	5
517072	Rotatable_Bond_Count	0
12167465	Undefined_Atom_Stereo_Count	0
16760394	Undefined_Bond_Stereo_Count	0
15893898	Total_Formal_Charge	0
51030053	Defined_Bond_Stereo_Count	0
91809622	Structure_Complexity	474
11094587	Covalent_Unit_Count	1
636367	Molecular_Weight	193.15
32593	Hydrogen_Bond_Donor_Count	0
60148432	Defined_Atom_Stereo_Count	0
44838	Hydrogen_Bond_Donor_Count	0
21760452	Hydrogen_Bond_Acceptor_Count	3
76631	Undefined_Bond_Stereo_Count	0
43013	Total_Formal_Charge	0
9931891	Covalent_Unit_Count	1
61660	Structure_Complexity	125
10610	XLogP3-AA	3.3
1068	Structure_Complexity	2.8
10909502	Hydrogen_Bond_Acceptor_Count	2
13070288	Defined_Atom_Stereo_Count	0
54726514	Molecular_Weight	634.6
56682314	Exact_Mass	422.12127520
12604	Rotatable_Bond_Count	10
32316	Hydrogen_Bond_Donor_Count	0
36572	Hydrogen_Bond_Acceptor_Count	4
156618055	Undefined_Atom_Stereo_Count	0
68492470	Total_Formal_Charge	0
324379	XLogP3-AA	1.2
51029601	Exact_Mass	448.17804118
6476006	Isotope_Atom_Count	0
2797779	Non-hydrogen_Atom_Count	8
13000	Tautomer_Count	1
609	Molecular_Weight	259.15
25271781	Defined_Atom_Stereo_Count	0
75562	Rotatable_Bond_Count	0
5486209	Molecular_Weight	197.24
74041115	Covalent_Unit_Count	1
5827	Defined_Bond_Stereo_Count	0
123462540	Undefined_Atom_Stereo_Count	2
19078026	Undefined_Bond_Stereo_Count	0
99748	Undefined_Atom_Stereo_Count	0
79002	Hydrogen_Bond_Acceptor_Count	6
4432690	TPSA	321
628999	Undefined_Bond_Stereo_Count	0
6420149	Hydrogen_Bond_Acceptor_Count	4
1878	TPSA	61.8
66742	Hydrogen_Bond_Donor_Count	0
10731	XLogP3	4.2
138323	Rotatable_Bond_Count	2
101650201	TPSA	133
189562	Structure_Complexity	483
4329	Defined_Atom_Stereo_Count	0
524640	Isotope_Atom_Count	0
6604378	Covalent_Unit_Count	1
62314699	Isotope_Atom_Count	0
5498	Defined_Bond_Stereo_Count	0
138961	Hydrogen_Bond_Donor_Count	0
7940	Undefined_Bond_Stereo_Count	0
27448	Exact_Mass	438.76997
13664	Non-hydrogen_Atom_Count	13
5280497	XLogP3-AA	3.4
5364932	Hydrogen_Bond_Donor_Count	1
54598431	Exact_Mass	352.027300
70848	Undefined_Atom_Stereo_Count	0
44120020	Exact_Mass	527.23263824
65600	Total_Formal_Charge	0
10111264	Exact_Mass	394.0832680
11637	Defined_Bond_Stereo_Count	0
9888897	Molecular_Weight	429.9
5736	Undefined_Bond_Stereo_Count	0
10931397	Structure_Complexity	96.7
51381	Undefined_Atom_Stereo_Count	0
22140765	Exact_Mass	113.058911855
45479834	Non-hydrogen_Atom_Count	17
58558	Isotope_Atom_Count	0
12740455	Covalent_Unit_Count	1
12961638	Total_Formal_Charge	0
60155367	Structure_Complexity	497
11789135	Total_Formal_Charge	0
95299	Hydrogen_Bond_Donor_Count	2
15715874	Hydrogen_Bond_Acceptor_Count	3
2775316	Isotope_Atom_Count	0
77681	Defined_Atom_Stereo_Count	0
18335911	Total_Formal_Charge	0
56427	Exact_Mass	217.146664230
41022	Defined_Atom_Stereo_Count	0
22948535	Exact_Mass	110.084398327
987917	Isotope_Atom_Count	0
87048	Molecular_Weight	141.13
8180	Covalent_Unit_Count	1
11579618	Non-hydrogen_Atom_Count	18
11643846	Hydrogen_Bond_Donor_Count	5
4553	Rotatable_Bond_Count	4
21481285	Defined_Atom_Stereo_Count	0
11000	XLogP3	2.6
443013	Covalent_Unit_Count	1
3033012	TPSA	37.3
57399651	Exact_Mass	320.0900848
124021	Defined_Atom_Stereo_Count	5
534258	Defined_Atom_Stereo_Count	0
6651	Defined_Bond_Stereo_Count	0
449223	Undefined_Atom_Stereo_Count	0
125409	Undefined_Atom_Stereo_Count	0
133082085	Hydrogen_Bond_Donor_Count	2
23689317	Rotatable_Bond_Count	3
5355863	Undefined_Bond_Stereo_Count	0
154914	Undefined_Atom_Stereo_Count	0
13270940	Defined_Atom_Stereo_Count	0
16219471	Rotatable_Bond_Count	2
44442053	Mono_Isotopic_Weight	381.18748367
657378	Covalent_Unit_Count	1
204506	Non-hydrogen_Atom_Count	8
12358970	Total_Formal_Charge	0
6427102	Total_Formal_Charge	0
76437	Exact_Mass	161.047678466
135507761	Defined_Bond_Stereo_Count	2
12625760	Mono_Isotopic_Weight	98.073164938
69845	Mono_Isotopic_Weight	151.02041835
122316	Total_Formal_Charge	0
3034047	Structure_Complexity	496
3246605	Exact_Mass	322.15036988
9925544	Mono_Isotopic_Weight	275.09174872
13661819	Defined_Bond_Stereo_Count	0
36980	Hydrogen_Bond_Donor_Count	0
129797817	Covalent_Unit_Count	1
521128	Non-hydrogen_Atom_Count	8
9800972	Rotatable_Bond_Count	10
122130387	Total_Formal_Charge	0
7473	Rotatable_Bond_Count	0
35399	Total_Formal_Charge	0
6915835	Tautomer_Count	1
62959	Defined_Bond_Stereo_Count	0
96160	Defined_Bond_Stereo_Count	0
80108978	Undefined_Bond_Stereo_Count	0
12740469	Structure_Complexity	103
296732	Rotatable_Bond_Count	2
19536	Structure_Complexity	258
17769620	Isotope_Atom_Count	0
1639804	XLogP3-AA	2.5
24424	Isotope_Atom_Count	0
10909485	Non-hydrogen_Atom_Count	6
12695618	Exact_Mass	83.037113783
84221363	Isotope_Atom_Count	0
7048767	Mono_Isotopic_Weight	324.183778013
4468	XLogP3-AA	0.8
71459165	Mono_Isotopic_Weight	292.16879665
285129	Total_Formal_Charge	0
3086674	Hydrogen_Bond_Acceptor_Count	4
95705	Undefined_Bond_Stereo_Count	0
46931204	Molecular_Weight	409.5
10461263	Defined_Atom_Stereo_Count	0
10005402	Defined_Bond_Stereo_Count	0
67246787	Isotope_Atom_Count	0
93532990	Undefined_Bond_Stereo_Count	0
101742	Mono_Isotopic_Weight	387.1713548
11543	Undefined_Bond_Stereo_Count	0
68321802	Molecular_Weight	401.4
15940197	Hydrogen_Bond_Acceptor_Count	6
795875	Molecular_Weight	340.22
11317439	Hydrogen_Bond_Donor_Count	1
123597	Non-hydrogen_Atom_Count	35
197059	Mono_Isotopic_Weight	346.1811912
88423	Exact_Mass	163.110947427
9091	Undefined_Bond_Stereo_Count	0
116491595	Rotatable_Bond_Count	2
77	Structure_Complexity	198
7683	Rotatable_Bond_Count	1
135459889	Undefined_Bond_Stereo_Count	0
69558	Defined_Bond_Stereo_Count	0
5353593	Mono_Isotopic_Weight	264.126263138
406793	Hydrogen_Bond_Donor_Count	1
45484184	Rotatable_Bond_Count	11
853863	Molecular_Weight	296.1
13150526	Hydrogen_Bond_Donor_Count	1
2779183	Non-hydrogen_Atom_Count	11
44336199	Covalent_Unit_Count	1
634493	TPSA	0
124846	Mono_Isotopic_Weight	382.19804592
148546155	Undefined_Atom_Stereo_Count	0
20727813	Non-hydrogen_Atom_Count	6
78394	Mono_Isotopic_Weight	82.078250319
18600476	Molecular_Weight	362.42
1176	Tautomer_Count	2
70689387	Covalent_Unit_Count	1
57400037	Rotatable_Bond_Count	3
1150897	Covalent_Unit_Count	1
6436223	TPSA	135
171296	Exact_Mass	291.1138399
98177686	Hydrogen_Bond_Donor_Count	1
54915	XLogP3-AA	6.2
4376	Exact_Mass	147.05315777
185818	TPSA	123
5354043	Hydrogen_Bond_Acceptor_Count	1
56626368	Structure_Complexity	74.2
32872	Hydrogen_Bond_Acceptor_Count	6
21973793	Undefined_Bond_Stereo_Count	0
12217061	XLogP3-AA	0.4
24875372	TPSA	99.8
7610	Undefined_Bond_Stereo_Count	0
101099404	Rotatable_Bond_Count	6
64972	TPSA	65
145705978	Non-hydrogen_Atom_Count	76
10028615	Exact_Mass	492.24243570
2789	Hydrogen_Bond_Acceptor_Count	2
361733	Total_Formal_Charge	0
41774	Total_Formal_Charge	0
57400027	Hydrogen_Bond_Acceptor_Count	4
91326539	Undefined_Bond_Stereo_Count	0
5509	Structure_Complexity	347
2170	Total_Formal_Charge	0
12571	Hydrogen_Bond_Donor_Count	0
407175	Covalent_Unit_Count	1
13586013	Defined_Atom_Stereo_Count	0
22611003	Hydrogen_Bond_Acceptor_Count	4
19851629	Hydrogen_Bond_Donor_Count	1
174251	Rotatable_Bond_Count	19
17890710	Rotatable_Bond_Count	1
52918382	TPSA	94.5
15884	Structure_Complexity	169
68238	Rotatable_Bond_Count	0
11	XLogP3	1.5
150736	Molecular_Weight	204.18
132201306	Rotatable_Bond_Count	15
65055	Defined_Bond_Stereo_Count	0
546996	Structure_Complexity	64.6
739183	Non-hydrogen_Atom_Count	13
6278	Hydrogen_Bond_Donor_Count	0
12102501	TPSA	56.7
66783827	TPSA	46.2
4391	Rotatable_Bond_Count	6
14923690	Undefined_Bond_Stereo_Count	0
4912932	Isotope_Atom_Count	0
71890	Total_Formal_Charge	0
10844367	Defined_Atom_Stereo_Count	0
70403801	Mono_Isotopic_Weight	228.05686342
123392765	TPSA	67.9
32438	Defined_Bond_Stereo_Count	0
13976498	Defined_Atom_Stereo_Count	0
19735771	Exact_Mass	112.063662883
448223	Undefined_Atom_Stereo_Count	0
101001097	Covalent_Unit_Count	1
136507	Total_Formal_Charge	0
165788	Structure_Complexity	26.7
6588	Rotatable_Bond_Count	1
95343	TPSA	17.1
9331	Total_Formal_Charge	0
164886662	Rotatable_Bond_Count	4
22416599	Rotatable_Bond_Count	0
598777	Exact_Mass	171.079647300
135020	Rotatable_Bond_Count	2
4523964	Defined_Bond_Stereo_Count	0
75227	Mono_Isotopic_Weight	139.099714038
74633	Rotatable_Bond_Count	5
88322	Undefined_Bond_Stereo_Count	0
73433376	Isotope_Atom_Count	0
146159752	Undefined_Atom_Stereo_Count	5
573467	Covalent_Unit_Count	1
140291701	Total_Formal_Charge	0
12248	Covalent_Unit_Count	1
5344	Defined_Atom_Stereo_Count	0
21887872	Mono_Isotopic_Weight	82.0185425
530423	TPSA	17.1
6788	Covalent_Unit_Count	1
5351141	Total_Formal_Charge	0
124226574	Defined_Bond_Stereo_Count	5
193450	Structure_Complexity	297
71306404	TPSA	2090
6099959	TPSA	281
40646768	Structure_Complexity	502
45278337	Hydrogen_Bond_Acceptor_Count	1
61013	Defined_Bond_Stereo_Count	0
415984	Covalent_Unit_Count	1
78225491	Undefined_Atom_Stereo_Count	0
295763	Undefined_Bond_Stereo_Count	0
33572	Rotatable_Bond_Count	6
68751	Hydrogen_Bond_Donor_Count	1
14184	Undefined_Atom_Stereo_Count	1
12276020	Structure_Complexity	40.8
68069751	Defined_Bond_Stereo_Count	0
70695759	Total_Formal_Charge	0
472335	Mono_Isotopic_Weight	393.09608521
55091	Structure_Complexity	123
118855925	Rotatable_Bond_Count	1
2815	Rotatable_Bond_Count	4
5281575	Defined_Atom_Stereo_Count	0
51971	Mono_Isotopic_Weight	284.131348519
209580	Hydrogen_Bond_Acceptor_Count	3
67248528	Covalent_Unit_Count	1
44242939	Isotope_Atom_Count	0
3033851	Covalent_Unit_Count	1
130545	Tautomer_Count	1
11200	Hydrogen_Bond_Acceptor_Count	0
66417	Hydrogen_Bond_Acceptor_Count	3
4498243	Defined_Atom_Stereo_Count	0
12523	Rotatable_Bond_Count	13
111032	Hydrogen_Bond_Donor_Count	0
556051	Exact_Mass	106.041864811
24856436	Covalent_Unit_Count	1
51464	XLogP3	6.5
41287	Undefined_Atom_Stereo_Count	0
93463	Covalent_Unit_Count	1
11138428	Structure_Complexity	151
102601142	Total_Formal_Charge	0
57392493	Defined_Atom_Stereo_Count	0
6588	Hydrogen_Bond_Acceptor_Count	0
96701	Covalent_Unit_Count	1
92210	Rotatable_Bond_Count	1
344693	Hydrogen_Bond_Donor_Count	1
5359423	XLogP3	3.4
4695	Exact_Mass	545.17800412
4921934	Isotope_Atom_Count	0
175948	Isotope_Atom_Count	0
7844	Molecular_Weight	56.11
30097	Undefined_Bond_Stereo_Count	0
439246	Isotope_Atom_Count	0
2144	TPSA	142
28532	Exact_Mass	163.038176411
443945	Tautomer_Count	1
9926791	Defined_Bond_Stereo_Count	0
56944144	Hydrogen_Bond_Donor_Count	1
129760006	Total_Formal_Charge	0
136142	Defined_Bond_Stereo_Count	0
261555	Defined_Atom_Stereo_Count	8
16654936	Exact_Mass	542.1853503
9911830	Undefined_Atom_Stereo_Count	0
954673	Undefined_Atom_Stereo_Count	0
299	TPSA	17.1
165295	Total_Formal_Charge	0
34192	TPSA	45.6
4800713	Undefined_Atom_Stereo_Count	0
216295	Exact_Mass	484.31216641
1951	Defined_Bond_Stereo_Count	0
22660	Tautomer_Count	2
404566	Undefined_Bond_Stereo_Count	0
24807310	TPSA	73.8
6708701	Exact_Mass	196.07355886
447377	Covalent_Unit_Count	1
68783	Isotope_Atom_Count	0
10437166	Undefined_Bond_Stereo_Count	0
70359	Rotatable_Bond_Count	3
129893524	Hydrogen_Bond_Acceptor_Count	21
3763	Mono_Isotopic_Weight	183.9714332
6426773	TPSA	136
29025	Mono_Isotopic_Weight	150.104465066
16132283	Covalent_Unit_Count	1
11660192	Tautomer_Count	8
961	Covalent_Unit_Count	1
11115032	Total_Formal_Charge	0
6537152	Covalent_Unit_Count	1
143713444	Covalent_Unit_Count	1
66903	Hydrogen_Bond_Donor_Count	0
11083832	Covalent_Unit_Count	1
55287187	Hydrogen_Bond_Donor_Count	1
75050	Defined_Atom_Stereo_Count	0
24901144	TPSA	119
15851	Isotope_Atom_Count	0
68737	Rotatable_Bond_Count	2
17945614	Undefined_Atom_Stereo_Count	0
124202907	Molecular_Weight	354.21
1745	Defined_Bond_Stereo_Count	0
68760	TPSA	96.3
7072	Undefined_Atom_Stereo_Count	0
163143	Undefined_Bond_Stereo_Count	0
20393269	Structure_Complexity	56
11326715	Structure_Complexity	658
19933	Structure_Complexity	238
70687331	Undefined_Bond_Stereo_Count	0
61899	Defined_Bond_Stereo_Count	0
66586378	Exact_Mass	100.100048391
82418996	TPSA	75.8
15789	Undefined_Bond_Stereo_Count	0
76223467	Non-hydrogen_Atom_Count	6
36188	Defined_Bond_Stereo_Count	0
9812790	Covalent_Unit_Count	1
44235958	Molecular_Weight	793.4
54250649	Mono_Isotopic_Weight	111.068413911
32816	Molecular_Weight	213.4
441667	Exact_Mass	449.10838648
2236	Rotatable_Bond_Count	2
12705044	Covalent_Unit_Count	1
7103	Covalent_Unit_Count	1
9434	Isotope_Atom_Count	0
61661	Exact_Mass	112.052429494
7087	XLogP3	3.9
7749	Molecular_Weight	102.13
18503	Exact_Mass	210.042927438
10307849	Hydrogen_Bond_Donor_Count	0
20054967	Defined_Bond_Stereo_Count	2
2156	Total_Formal_Charge	1
21379	Defined_Bond_Stereo_Count	0
155143	Defined_Atom_Stereo_Count	6
19338	XLogP3-AA	2.6
11552	Isotope_Atom_Count	0
22377554	Structure_Complexity	79.1
7875	Defined_Bond_Stereo_Count	0
11586735	Defined_Atom_Stereo_Count	0
6669	Exact_Mass	294.12157168
174042	XLogP3-AA	39.9
1260	Hydrogen_Bond_Donor_Count	3
34134	Defined_Bond_Stereo_Count	0
535545	Defined_Atom_Stereo_Count	0
774	Hydrogen_Bond_Acceptor_Count	2
11508058	TPSA	68.2
58376816	Hydrogen_Bond_Acceptor_Count	1
12184591	TPSA	94.8
5942099	Rotatable_Bond_Count	6
62770	Molecular_Weight	564.0
19027761	Molecular_Weight	109.13
71825	Exact_Mass	256.109944368
80694	Mono_Isotopic_Weight	547.0387034
17831	Isotope_Atom_Count	0
6604561	Total_Formal_Charge	0
85859899	Exact_Mass	96.021129366
10034591	Covalent_Unit_Count	1
52942108	Hydrogen_Bond_Acceptor_Count	7
45357796	Hydrogen_Bond_Donor_Count	1
54548956	Defined_Bond_Stereo_Count	0
449355	TPSA	102
75796	XLogP3-AA	5.4
10695575	Exact_Mass	467.25727730
94544	Covalent_Unit_Count	1
42586	Mono_Isotopic_Weight	279.14705815
135413519	Hydrogen_Bond_Donor_Count	4
968625	TPSA	74.9
644273	Hydrogen_Bond_Acceptor_Count	3
22220113	Rotatable_Bond_Count	1
11054313	Rotatable_Bond_Count	2
7646	Undefined_Bond_Stereo_Count	0
86821	Defined_Bond_Stereo_Count	0
76956848	Exact_Mass	249.1284273
237766	Non-hydrogen_Atom_Count	19
3191	XLogP3-AA	7.2
143018	TPSA	0
6053	Defined_Bond_Stereo_Count	0
10390836	Undefined_Atom_Stereo_Count	1
129860157	Total_Formal_Charge	0
2954	TPSA	116
520667	Mono_Isotopic_Weight	100.052429494
736282	TPSA	40.5
39484	Rotatable_Bond_Count	1
5311065	Mono_Isotopic_Weight	1068.42695588
91272	Hydrogen_Bond_Donor_Count	7
67960134	Structure_Complexity	961
57391652	Undefined_Atom_Stereo_Count	1
41092	Molecular_Weight	138.21
819	Rotatable_Bond_Count	67
73415804	Isotope_Atom_Count	0
4336361	Defined_Bond_Stereo_Count	0
447076	Molecular_Weight	395.5
8454	Defined_Atom_Stereo_Count	0
32339	Defined_Bond_Stereo_Count	0
98423	Covalent_Unit_Count	1
184821	Exact_Mass	377.1757714
53484567	Undefined_Atom_Stereo_Count	0
73782	Molecular_Weight	146.66
77495	Structure_Complexity	96.3
118010510	Defined_Atom_Stereo_Count	0
8449	Exact_Mass	161.9639201
122298	Exact_Mass	255.11067264
545127	Defined_Atom_Stereo_Count	0
11632510	Hydrogen_Bond_Acceptor_Count	5
10327727	Isotope_Atom_Count	0
11358	XLogP3	2.9
5280934	Covalent_Unit_Count	1
57455	Defined_Atom_Stereo_Count	0
6030	Molecular_Weight	324.18
4368	Total_Formal_Charge	0
13698	Isotope_Atom_Count	0
5323976	TPSA	41.9
4284	Mono_Isotopic_Weight	191.131014166
12479241	XLogP3-AA	4.2
82343	Isotope_Atom_Count	0
131167766	Hydrogen_Bond_Acceptor_Count	1
70620565	Rotatable_Bond_Count	0
643918	Undefined_Atom_Stereo_Count	0
4235	Undefined_Bond_Stereo_Count	0
22491625	Rotatable_Bond_Count	1
119435	XLogP3	3.4
10534635	TPSA	27
133083713	Covalent_Unit_Count	1
71587201	Undefined_Bond_Stereo_Count	0
25006685	TPSA	84.2
5362	Hydrogen_Bond_Acceptor_Count	6
980	Undefined_Bond_Stereo_Count	0
5368838	TPSA	24.4
10646616	Undefined_Bond_Stereo_Count	0
50942	Molecular_Weight	266.25
16051941	TPSA	364
5353760	Covalent_Unit_Count	1
51399572	Molecular_Weight	499.6
20015	TPSA	23.5
82917	Isotope_Atom_Count	0
46926360	Hydrogen_Bond_Acceptor_Count	7
9160	Rotatable_Bond_Count	0
88793951	Rotatable_Bond_Count	2
20821294	Covalent_Unit_Count	1
10973	Undefined_Bond_Stereo_Count	0
91738	Undefined_Bond_Stereo_Count	1
23422065	XLogP3-AA	0.1
25010775	Non-hydrogen_Atom_Count	25
135975	Structure_Complexity	413
29124	Structure_Complexity	219
18185822	Hydrogen_Bond_Acceptor_Count	3
25132069	Rotatable_Bond_Count	5
66603137	Isotope_Atom_Count	0
53960787	Undefined_Atom_Stereo_Count	1
134688669	XLogP3-AA	4.5
414248	Total_Formal_Charge	1
20760783	Undefined_Bond_Stereo_Count	0
101001097	Structure_Complexity	770
76692	Non-hydrogen_Atom_Count	6
46919879	Molecular_Weight	490.5
20209436	Covalent_Unit_Count	5
15439201	Undefined_Atom_Stereo_Count	1
1261	Mono_Isotopic_Weight	327.1278028
15951	Hydrogen_Bond_Acceptor_Count	5
135426867	Mono_Isotopic_Weight	165.06505986
156595906	Mono_Isotopic_Weight	852.15113847
66901	Isotope_Atom_Count	0
18311	Exact_Mass	230.073164938
140655119	Hydrogen_Bond_Acceptor_Count	2
6428	Defined_Atom_Stereo_Count	0
9536	Rotatable_Bond_Count	8
14078847	Total_Formal_Charge	0
11954234	Undefined_Bond_Stereo_Count	0
91464153	Rotatable_Bond_Count	1
123468130	Defined_Atom_Stereo_Count	0
57404185	Undefined_Atom_Stereo_Count	1
429819	Structure_Complexity	215
10029970	Non-hydrogen_Atom_Count	38
91475476	Covalent_Unit_Count	1
137642	Covalent_Unit_Count	1
14705467	Undefined_Atom_Stereo_Count	1
3944	Mono_Isotopic_Weight	528.21078060
6179	Structure_Complexity	87.3
70693538	Isotope_Atom_Count	0
12417	Mono_Isotopic_Weight	86.073164938
47294	TPSA	72.9
322	Hydrogen_Bond_Acceptor_Count	3
6395	Hydrogen_Bond_Acceptor_Count	3
52007	TPSA	41.1
123753428	Non-hydrogen_Atom_Count	8
9864154	Rotatable_Bond_Count	4
10341154	Undefined_Atom_Stereo_Count	0
285258	Undefined_Bond_Stereo_Count	0
84762050	TPSA	46.3
8	Undefined_Atom_Stereo_Count	2
47909	Molecular_Weight	350.87
10737	Exact_Mass	225.115364102
164888	Exact_Mass	152.120115130
39727	Hydrogen_Bond_Donor_Count	0
907991	Covalent_Unit_Count	1
893947	Isotope_Atom_Count	0
155387567	Structure_Complexity	107
11187581	Defined_Bond_Stereo_Count	0
16052039	Undefined_Bond_Stereo_Count	0
5388949	Rotatable_Bond_Count	1
39538	Defined_Atom_Stereo_Count	0
1517	Total_Formal_Charge	0
198791	Rotatable_Bond_Count	6
13349549	Total_Formal_Charge	0
136048918	Covalent_Unit_Count	1
3711576	Defined_Bond_Stereo_Count	0
83151608	TPSA	20.2
42626428	Undefined_Atom_Stereo_Count	2
89240655	XLogP3-AA	1.1
123289031	Mono_Isotopic_Weight	260.10485899
90031	Undefined_Bond_Stereo_Count	0
15279	Molecular_Weight	207.23
2929	Covalent_Unit_Count	1
11682247	XLogP3-AA	3.4
44310946	Hydrogen_Bond_Donor_Count	1
17241	Undefined_Bond_Stereo_Count	0
53724680	Structure_Complexity	48.1
98850	Non-hydrogen_Atom_Count	10
10639	Rotatable_Bond_Count	1
89131	Isotope_Atom_Count	0
973938	Rotatable_Bond_Count	1
22280932	Rotatable_Bond_Count	1
21700	Exact_Mass	520.2227812
10336	Undefined_Bond_Stereo_Count	1
9609	TPSA	25.3
123631	Rotatable_Bond_Count	8
398744	Covalent_Unit_Count	1
14239884	Hydrogen_Bond_Acceptor_Count	4
109014	Non-hydrogen_Atom_Count	13
36431	TPSA	69.6
10374415	Hydrogen_Bond_Donor_Count	1
3122	Isotope_Atom_Count	0
58840878	Isotope_Atom_Count	0
21464101	Defined_Bond_Stereo_Count	0
625305	Undefined_Atom_Stereo_Count	9
10534635	Structure_Complexity	98.3
168263	Exact_Mass	114.068079557
10886	Isotope_Atom_Count	0
5352693	Mono_Isotopic_Weight	180.01011390
135484651	Mono_Isotopic_Weight	473.16589610
17963347	Covalent_Unit_Count	1
2267	Mono_Isotopic_Weight	381.1607901
3045400	XLogP3-AA	3
3255932	Defined_Atom_Stereo_Count	0
24284832	Defined_Bond_Stereo_Count	0
4369491	XLogP3-AA	3.5
11625425	Total_Formal_Charge	0
18546557	Covalent_Unit_Count	1
135522261	Defined_Bond_Stereo_Count	0
4626972	Undefined_Bond_Stereo_Count	0
5986	Non-hydrogen_Atom_Count	28
5270576	Exact_Mass	260.08084968
6344	Mono_Isotopic_Weight	83.9533555
69275	Tautomer_Count	1
53395363	Rotatable_Bond_Count	3
23350	Structure_Complexity	102
74995	Mono_Isotopic_Weight	210.079312947
731747	Rotatable_Bond_Count	3
12805738	Defined_Atom_Stereo_Count	0
14508	Mono_Isotopic_Weight	109.052763847
31300	Isotope_Atom_Count	0
136586	XLogP3-AA	1.4
89678335	Covalent_Unit_Count	1
5462077	Molecular_Weight	272.39
542372	XLogP3-AA	2.3
253613	Molecular_Weight	270.3
8254	Structure_Complexity	2.8
54592009	Exact_Mass	325.14264148
76969110	Mono_Isotopic_Weight	1140.59812858
7482	Covalent_Unit_Count	1
20312691	TPSA	53.3
123173	Defined_Atom_Stereo_Count	0
6450830	Hydrogen_Bond_Acceptor_Count	10
3014374	Rotatable_Bond_Count	5
314184	Molecular_Weight	101.10
14852098	Hydrogen_Bond_Acceptor_Count	2
52941568	Hydrogen_Bond_Donor_Count	0
161105	Undefined_Bond_Stereo_Count	0
20677	Structure_Complexity	56.6
125183303	Undefined_Atom_Stereo_Count	0
6625	XLogP3	3.9
55287187	Covalent_Unit_Count	1
439517	Mono_Isotopic_Weight	267.12190603
10942371	Hydrogen_Bond_Acceptor_Count	2
131022	Undefined_Atom_Stereo_Count	1
193504	Rotatable_Bond_Count	3
18831	Molecular_Weight	145.55
5359484	Exact_Mass	289.0861010
4433698	Defined_Atom_Stereo_Count	0
18506440	Rotatable_Bond_Count	3
6420071	Hydrogen_Bond_Donor_Count	2
9938	Defined_Bond_Stereo_Count	0
99306	XLogP3-AA	6.1
131270	Structure_Complexity	466
134828	Exact_Mass	298.09535693
24917002	Undefined_Atom_Stereo_Count	0
12285879	TPSA	110
75464	Undefined_Bond_Stereo_Count	0
6204	Mono_Isotopic_Weight	194.154489261
6632	Defined_Atom_Stereo_Count	0
6997338	Covalent_Unit_Count	1
87279973	Non-hydrogen_Atom_Count	8
53859791	Undefined_Bond_Stereo_Count	0
3209	Hydrogen_Bond_Donor_Count	1
144895707	Undefined_Atom_Stereo_Count	3
23616699	Hydrogen_Bond_Acceptor_Count	5
12301251	Total_Formal_Charge	0
134715568	Hydrogen_Bond_Acceptor_Count	7
101621557	Total_Formal_Charge	0
59221	Total_Formal_Charge	0
431631	Tautomer_Count	1
519726	Hydrogen_Bond_Acceptor_Count	2
331531	Undefined_Bond_Stereo_Count	0
66545744	TPSA	58.7
13858	Undefined_Bond_Stereo_Count	0
15706803	Mono_Isotopic_Weight	116.120115130
135458645	Hydrogen_Bond_Donor_Count	5
71360804	Rotatable_Bond_Count	5
542381	Total_Formal_Charge	0
46944253	Hydrogen_Bond_Donor_Count	1
17174	Hydrogen_Bond_Donor_Count	0
78960	Structure_Complexity	103
2168	Covalent_Unit_Count	1
137092	Defined_Bond_Stereo_Count	0
76609483	Molecular_Weight	103.12
14518773	Exact_Mass	115.063328530
130028471	Covalent_Unit_Count	1
451448	Covalent_Unit_Count	1
19212	Molecular_Weight	464.6
637593	Covalent_Unit_Count	1
90475112	Exact_Mass	406.1811912
489129	Structure_Complexity	470
122653117	Molecular_Weight	114.10
23350	Covalent_Unit_Count	1
817623	Defined_Bond_Stereo_Count	0
71413	Isotope_Atom_Count	0
130006807	Defined_Atom_Stereo_Count	0
24964624	Hydrogen_Bond_Acceptor_Count	4
71427280	Mono_Isotopic_Weight	112.063662883
3056	TPSA	107
56675694	Non-hydrogen_Atom_Count	28
15504	XLogP3-AA	4
91820403	Isotope_Atom_Count	0
13783	Tautomer_Count	1
81171	Defined_Bond_Stereo_Count	0
9568613	Structure_Complexity	453
294864	Exact_Mass	104.047344113
12865500	Rotatable_Bond_Count	2
36663	Rotatable_Bond_Count	3
64992857	Molecular_Weight	113.16
46841499	Defined_Atom_Stereo_Count	0
11957587	Total_Formal_Charge	0
6183357	Isotope_Atom_Count	0
80009	Mono_Isotopic_Weight	99.104799419
2058	Isotope_Atom_Count	0
129651417	Rotatable_Bond_Count	0
11286443	Exact_Mass	100.063662883
20827794	Covalent_Unit_Count	1
18509379	Non-hydrogen_Atom_Count	8
54460486	Isotope_Atom_Count	0
46485	Rotatable_Bond_Count	9
3045225	Rotatable_Bond_Count	3
33166	Defined_Bond_Stereo_Count	0
45269673	Hydrogen_Bond_Donor_Count	1
54693768	Defined_Bond_Stereo_Count	0
10313077	Hydrogen_Bond_Acceptor_Count	1
2765	Undefined_Bond_Stereo_Count	0
71305057	Molecular_Weight	439.3
71584163	Hydrogen_Bond_Acceptor_Count	6
65110	Hydrogen_Bond_Acceptor_Count	10
12116	Hydrogen_Bond_Acceptor_Count	2
279	Hydrogen_Bond_Acceptor_Count	5
60196385	Undefined_Bond_Stereo_Count	0
130025113	Defined_Bond_Stereo_Count	0
1941	Non-hydrogen_Atom_Count	26
55652	Mono_Isotopic_Weight	424.1684336
197942	Structure_Complexity	151
126664809	Molecular_Weight	303.35
78351	Non-hydrogen_Atom_Count	8
70691981	Total_Formal_Charge	0
70443535	Covalent_Unit_Count	1
129702186	Hydrogen_Bond_Acceptor_Count	9
15721166	Covalent_Unit_Count	1
445639	Defined_Atom_Stereo_Count	0
441306	Molecular_Weight	475.6
86471	Mono_Isotopic_Weight	296.15182643
91555	TPSA	52
2164	Non-hydrogen_Atom_Count	16
83	Molecular_Weight	152.04
19423737	Undefined_Atom_Stereo_Count	0
5934	Exact_Mass	239.142247555
21895383	TPSA	54.6
20607223	Mono_Isotopic_Weight	111.079647300
54060494	Exact_Mass	83.037113783
66295	Rotatable_Bond_Count	1
13271066	Tautomer_Count	2
129701923	Hydrogen_Bond_Donor_Count	0
88077632	Exact_Mass	155.142041939
4885	Structure_Complexity	188
59516092	Hydrogen_Bond_Acceptor_Count	5
75530316	Molecular_Weight	511.6
289539	Tautomer_Count	2
621174	Undefined_Atom_Stereo_Count	0
90905460	TPSA	12
44120162	Hydrogen_Bond_Donor_Count	1
11769408	TPSA	44.5
6124212	Mono_Isotopic_Weight	516.12677620
4984721	Defined_Bond_Stereo_Count	0
6366726	Hydrogen_Bond_Donor_Count	1
656829	Tautomer_Count	1
119185	Hydrogen_Bond_Acceptor_Count	10
3064425	Hydrogen_Bond_Acceptor_Count	4
107876	Hydrogen_Bond_Acceptor_Count	13
82197	XLogP3	1.6
61018	Non-hydrogen_Atom_Count	9
36652	Undefined_Atom_Stereo_Count	0
21677822	Covalent_Unit_Count	1
17811	Exact_Mass	269.116426730
25182616	Defined_Bond_Stereo_Count	0
95831	Covalent_Unit_Count	1
46533	Covalent_Unit_Count	1
71751164	Isotope_Atom_Count	0
11083834	Structure_Complexity	76.1
556380	XLogP3-AA	1
17693	Exact_Mass	229.0061193
4695	Defined_Atom_Stereo_Count	0
12428066	Hydrogen_Bond_Acceptor_Count	2
60196394	Total_Formal_Charge	0
589209	Undefined_Bond_Stereo_Count	0
11409	Hydrogen_Bond_Donor_Count	0
14859157	Undefined_Bond_Stereo_Count	0
3791	XLogP3	2.1
7915	Rotatable_Bond_Count	2
45834	XLogP3-AA	1
12217061	Molecular_Weight	97.12
59750537	Defined_Bond_Stereo_Count	0
23496	Hydrogen_Bond_Donor_Count	0
17841655	Rotatable_Bond_Count	0
64862	Defined_Bond_Stereo_Count	0
3344	Covalent_Unit_Count	1
60837	Rotatable_Bond_Count	5
13804280	Structure_Complexity	86.1
46856306	TPSA	104
1549237	Defined_Bond_Stereo_Count	2
9901946	Covalent_Unit_Count	1
95705	Mono_Isotopic_Weight	170.06914219
53627566	Hydrogen_Bond_Donor_Count	0
657308	Defined_Atom_Stereo_Count	2
11748	Hydrogen_Bond_Acceptor_Count	3
9878679	Mono_Isotopic_Weight	275.07284784
20548476	TPSA	29.1
9852519	Non-hydrogen_Atom_Count	42
18506491	Hydrogen_Bond_Acceptor_Count	5
11852355	Molecular_Weight	376.5
136219155	Non-hydrogen_Atom_Count	26
57392165	Defined_Atom_Stereo_Count	0
5282426	Covalent_Unit_Count	1
3956708	Covalent_Unit_Count	1
14225655	Hydrogen_Bond_Donor_Count	0
3563590	Defined_Atom_Stereo_Count	0
4346	Undefined_Bond_Stereo_Count	0
16667730	Non-hydrogen_Atom_Count	58
5475462	Non-hydrogen_Atom_Count	11
4224596	Hydrogen_Bond_Acceptor_Count	3
2649	Defined_Atom_Stereo_Count	0
12193680	Non-hydrogen_Atom_Count	34
76735	Structure_Complexity	296
221387	Tautomer_Count	2
5318998	Hydrogen_Bond_Donor_Count	2
154489025	Isotope_Atom_Count	0
11181	Exact_Mass	100.063662883
112039	Hydrogen_Bond_Donor_Count	0
31233	Exact_Mass	166.099379685
8026	Tautomer_Count	1
13531383	Hydrogen_Bond_Acceptor_Count	2
11115809	XLogP3-AA	8.5
9868902	Total_Formal_Charge	0
994868	Structure_Complexity	959
73481	Structure_Complexity	963
84398	Tautomer_Count	1
136889	Undefined_Atom_Stereo_Count	2
249778	Rotatable_Bond_Count	0
8231	Total_Formal_Charge	0
82987	Undefined_Atom_Stereo_Count	0
8519	Tautomer_Count	1
56911	Total_Formal_Charge	0
919792	Total_Formal_Charge	0
27944	Isotope_Atom_Count	0
9889823	Undefined_Atom_Stereo_Count	0
9884820	Non-hydrogen_Atom_Count	26
621558	Non-hydrogen_Atom_Count	14
6918427	Tautomer_Count	10
928095	XLogP3-AA	1.1
10750	Mono_Isotopic_Weight	281.0486528
12056759	Undefined_Bond_Stereo_Count	0
5875450	Covalent_Unit_Count	2
20623561	Undefined_Bond_Stereo_Count	0
17305	Hydrogen_Bond_Donor_Count	0
3082052	Undefined_Bond_Stereo_Count	0
54331	Rotatable_Bond_Count	4
44629593	Defined_Bond_Stereo_Count	0
44419427	Covalent_Unit_Count	1
10325129	Hydrogen_Bond_Acceptor_Count	8
10107	Hydrogen_Bond_Acceptor_Count	4
448258	TPSA	67.9
13721252	Hydrogen_Bond_Acceptor_Count	3
135618542	TPSA	299
33960	Undefined_Bond_Stereo_Count	0
9661	Defined_Bond_Stereo_Count	0
529212	Structure_Complexity	92.6
25654	Molecular_Weight	389.4
273577	TPSA	24.9
141093	Exact_Mass	84.057514874
418940	Non-hydrogen_Atom_Count	20
4414	Non-hydrogen_Atom_Count	29
81426	Undefined_Bond_Stereo_Count	0
135407187	Mono_Isotopic_Weight	302.0644474
644078	XLogP3-AA	14
6917865	Isotope_Atom_Count	0
7831	Total_Formal_Charge	0
20996	Mono_Isotopic_Weight	246.2114287
60059	Hydrogen_Bond_Donor_Count	0
96517	Tautomer_Count	5
11346	Structure_Complexity	197
94746	Non-hydrogen_Atom_Count	8
161500	Hydrogen_Bond_Acceptor_Count	9
135465076	Defined_Bond_Stereo_Count	1
12904	XLogP3	3.6
12290031	Exact_Mass	85.089149355
133662560	Molecular_Weight	181.15
585174	Mono_Isotopic_Weight	136.052429494
50225	Undefined_Bond_Stereo_Count	0
32610	Covalent_Unit_Count	1
129860157	Exact_Mass	95.073499291
60751	XLogP3-AA	8.8
163751	Defined_Bond_Stereo_Count	0
124087	Covalent_Unit_Count	1
2417	Defined_Atom_Stereo_Count	0
6619	XLogP3-AA	6.5
22138130	Mono_Isotopic_Weight	116.083729621
69845357	Undefined_Bond_Stereo_Count	0
67242154	Structure_Complexity	113
4570	Defined_Atom_Stereo_Count	0
2801745	Undefined_Atom_Stereo_Count	0
5250507	Non-hydrogen_Atom_Count	16
12546243	Defined_Bond_Stereo_Count	0
136504	Structure_Complexity	50
5568	Defined_Bond_Stereo_Count	0
5281082	Molecular_Weight	643.7
53153	XLogP3	0.3
163957061	Non-hydrogen_Atom_Count	7
138527	Isotope_Atom_Count	0
77328	Hydrogen_Bond_Acceptor_Count	2
12178	Non-hydrogen_Atom_Count	7
10402	Rotatable_Bond_Count	5
24884488	Exact_Mass	499.1523507
6440176	Defined_Atom_Stereo_Count	6
5459213	Non-hydrogen_Atom_Count	54
9785	Undefined_Bond_Stereo_Count	0
34502	Molecular_Weight	612.97
5842	Non-hydrogen_Atom_Count	15
80	Covalent_Unit_Count	1
216345	Defined_Bond_Stereo_Count	0
9007	Rotatable_Bond_Count	1
9794203	Covalent_Unit_Count	1
14804	Mono_Isotopic_Weight	77.95160974
597592	XLogP3-AA	2.5
93374	Non-hydrogen_Atom_Count	11
136433	Defined_Atom_Stereo_Count	0
146571	Rotatable_Bond_Count	6
175805	Molecular_Weight	274.4
6920223	Defined_Atom_Stereo_Count	0
139075879	Undefined_Bond_Stereo_Count	0
71323	Defined_Bond_Stereo_Count	0
176868	Defined_Bond_Stereo_Count	0
5645	Mono_Isotopic_Weight	392.29265975
8422	Defined_Bond_Stereo_Count	0
10186986	Rotatable_Bond_Count	12
9918559	Molecular_Weight	477.5
6436138	Structure_Complexity	499
129864896	Covalent_Unit_Count	1
9235	Mono_Isotopic_Weight	110.109550447
13643667	Exact_Mass	449.71112
2871	Mono_Isotopic_Weight	362.0144595
10020226	Defined_Bond_Stereo_Count	0
5282433	Undefined_Atom_Stereo_Count	0
150986	Covalent_Unit_Count	1
3661562	Non-hydrogen_Atom_Count	16
65575055	Defined_Bond_Stereo_Count	0
9936012	Mono_Isotopic_Weight	506.2336207
162883449	TPSA	272
796414	Exact_Mass	276.183778013
3510	Isotope_Atom_Count	0
9920369	XLogP3-AA	0.3
95391	Mono_Isotopic_Weight	140.083729621
9928	Molecular_Weight	327.8
55297293	Non-hydrogen_Atom_Count	7
197712	Tautomer_Count	1
50944	XLogP3	0.9
88703	Undefined_Atom_Stereo_Count	0
2315	TPSA	135
443391	XLogP3-AA	4.1
74918	Isotope_Atom_Count	0
66954934	Hydrogen_Bond_Acceptor_Count	1
6364575	Tautomer_Count	1
5319404	Defined_Atom_Stereo_Count	0
946918	Molecular_Weight	301.30
1175	Rotatable_Bond_Count	0
6815	Defined_Atom_Stereo_Count	0
9928016	Hydrogen_Bond_Acceptor_Count	4
5853	XLogP3	0.5
23678979	Non-hydrogen_Atom_Count	23
164486	Molecular_Weight	247.21
87254011	Structure_Complexity	187
162918376	XLogP3-AA	7.5
673373	Exact_Mass	289.204179104
3300	Covalent_Unit_Count	1
3680	Isotope_Atom_Count	0
59184	Covalent_Unit_Count	1
123620036	Isotope_Atom_Count	0
153667070	Defined_Bond_Stereo_Count	0
59296073	Undefined_Atom_Stereo_Count	0
260707	Structure_Complexity	126
19977	Undefined_Bond_Stereo_Count	0
6918331	Covalent_Unit_Count	1
1168	Covalent_Unit_Count	1
119095779	Defined_Bond_Stereo_Count	0
165901	Structure_Complexity	317
53174	Molecular_Weight	297.33
13912815	Mono_Isotopic_Weight	328.13107373
76921	Non-hydrogen_Atom_Count	12
12304109	Undefined_Atom_Stereo_Count	0
62878	Isotope_Atom_Count	0
4268635	Molecular_Weight	152.62
44330586	Mono_Isotopic_Weight	266.10150494
65784	Defined_Atom_Stereo_Count	2
96583	Tautomer_Count	3
6327546	Non-hydrogen_Atom_Count	16
4421	Hydrogen_Bond_Donor_Count	1
20266	Hydrogen_Bond_Acceptor_Count	4
87442302	Non-hydrogen_Atom_Count	20
56679113	Total_Formal_Charge	0
1177	Mono_Isotopic_Weight	244.06953611
32339	XLogP3	1
903168	Rotatable_Bond_Count	6
10126799	Rotatable_Bond_Count	5
535532	Molecular_Weight	98.10
3333	Exact_Mass	383.0691135
164135990	Total_Formal_Charge	0
11619220	Exact_Mass	445.1920902
24763119	Undefined_Atom_Stereo_Count	0
87757577	Defined_Bond_Stereo_Count	0
439423	Isotope_Atom_Count	0
67374618	Undefined_Bond_Stereo_Count	0
44345559	Total_Formal_Charge	2
54936	Mono_Isotopic_Weight	269.940598
5743568	TPSA	104
11116296	Isotope_Atom_Count	0
101089158	Exact_Mass	116.083729621
20388	Structure_Complexity	585
23662354	Hydrogen_Bond_Acceptor_Count	4
534918	Hydrogen_Bond_Acceptor_Count	0
69340823	XLogP3-AA	0
24180719	Mono_Isotopic_Weight	413.0412465
12395	Total_Formal_Charge	0
1783	Undefined_Atom_Stereo_Count	0
10899357	Defined_Atom_Stereo_Count	0
89416	Defined_Bond_Stereo_Count	0
57091294	Defined_Bond_Stereo_Count	0
453974	Isotope_Atom_Count	0
148573599	Undefined_Atom_Stereo_Count	0
196822	Rotatable_Bond_Count	15
135749824	Defined_Atom_Stereo_Count	9
700865	Hydrogen_Bond_Donor_Count	0
8880	Defined_Bond_Stereo_Count	0
56330	Covalent_Unit_Count	1
15109	Defined_Bond_Stereo_Count	0
12453026	Undefined_Bond_Stereo_Count	0
323188	Covalent_Unit_Count	1
92810	Rotatable_Bond_Count	1
71356769	XLogP3-AA	2.9
90936519	Non-hydrogen_Atom_Count	85
25674	Hydrogen_Bond_Acceptor_Count	4
3416433	Structure_Complexity	127
533840	XLogP3-AA	0.6
61930	Structure_Complexity	105
56673690	Structure_Complexity	742
24180873	Mono_Isotopic_Weight	666.70029
678081	Structure_Complexity	365
33044	Undefined_Atom_Stereo_Count	0
82418959	Mono_Isotopic_Weight	115.038176411
123659755	Structure_Complexity	72.5
19040543	Hydrogen_Bond_Acceptor_Count	2
594558	Hydrogen_Bond_Donor_Count	2
11584	Mono_Isotopic_Weight	100.052429494
74506	Mono_Isotopic_Weight	277.114612572
57514725	Mono_Isotopic_Weight	451.97248157
23681909	Undefined_Bond_Stereo_Count	0
57358267	Hydrogen_Bond_Acceptor_Count	4
28102	Isotope_Atom_Count	0
141248885	Hydrogen_Bond_Acceptor_Count	2
159190124	Rotatable_Bond_Count	15
6426854	XLogP3-AA	6.6
71751934	Rotatable_Bond_Count	4
10285793	Molecular_Weight	128.09
14437479	Non-hydrogen_Atom_Count	8
17910644	Non-hydrogen_Atom_Count	8
11007841	Defined_Bond_Stereo_Count	0
129627951	Covalent_Unit_Count	3
18953179	Mono_Isotopic_Weight	626.7775
7245	Exact_Mass	128.0028925
16211460	Total_Formal_Charge	0
14308604	Molecular_Weight	116.11
23170707	Undefined_Atom_Stereo_Count	0
449366	Hydrogen_Bond_Acceptor_Count	9
3894573	Rotatable_Bond_Count	10
68745	Tautomer_Count	6
90753995	Isotope_Atom_Count	0
81530	Defined_Atom_Stereo_Count	0
19843	XLogP3-AA	0.7
98468	Undefined_Bond_Stereo_Count	0
7237253	Non-hydrogen_Atom_Count	27
528604	Exact_Mass	115.099714038
327044	Total_Formal_Charge	0
135539077	Total_Formal_Charge	0
20769606	Mono_Isotopic_Weight	114.068079557
57391096	Tautomer_Count	12
170832	Undefined_Bond_Stereo_Count	0
10290812	Non-hydrogen_Atom_Count	8
6970	Isotope_Atom_Count	0
445091	Undefined_Atom_Stereo_Count	0
78357784	Undefined_Atom_Stereo_Count	0
76372196	TPSA	76.6
138404422	Undefined_Bond_Stereo_Count	0
53236890	Total_Formal_Charge	0
11511	Non-hydrogen_Atom_Count	8
6502	Mono_Isotopic_Weight	120.078644241
731207	Structure_Complexity	376
31917	Defined_Atom_Stereo_Count	0
5702096	Tautomer_Count	8
79069	Tautomer_Count	1
16052011	Exact_Mass	1328.66256879
25182616	Molecular_Weight	532.6
444753	Isotope_Atom_Count	0
3533	Structure_Complexity	209
5275508	Total_Formal_Charge	0
6850813	Exact_Mass	255.162314293
11412358	Structure_Complexity	169
10820486	Total_Formal_Charge	0
52165	Total_Formal_Charge	0
48654	Mono_Isotopic_Weight	261.03644
339231	Undefined_Bond_Stereo_Count	0
163594	Covalent_Unit_Count	5
78352	Molecular_Weight	483.0
138062	Non-hydrogen_Atom_Count	7
21313738	Undefined_Atom_Stereo_Count	0
3568	Exact_Mass	338.10016753
43432	Covalent_Unit_Count	1
313325	Undefined_Bond_Stereo_Count	0
454937	Rotatable_Bond_Count	1
71681634	Total_Formal_Charge	0
11054	Hydrogen_Bond_Acceptor_Count	4
15439	Isotope_Atom_Count	0
92786	Defined_Atom_Stereo_Count	8
111804	Rotatable_Bond_Count	4
44576048	Undefined_Atom_Stereo_Count	0
22784	Undefined_Atom_Stereo_Count	0
9875516	Defined_Atom_Stereo_Count	7
182137	XLogP3	2.2
418247	Defined_Atom_Stereo_Count	0
1548971	Non-hydrogen_Atom_Count	30
27461	Rotatable_Bond_Count	7
9576814	XLogP3-AA	0.9
4412	Exact_Mass	743.07545344
23657860	Molecular_Weight	342.30
61278	Exact_Mass	86.036779430
12959090	Molecular_Weight	85.10
21862291	Rotatable_Bond_Count	4
765378	Hydrogen_Bond_Acceptor_Count	5
12547675	Hydrogen_Bond_Donor_Count	0
6418	Tautomer_Count	1
831	Hydrogen_Bond_Donor_Count	3
71035	Non-hydrogen_Atom_Count	18
74732	Tautomer_Count	2
42104317	Undefined_Atom_Stereo_Count	0
157921	Exact_Mass	181.0505709
10809009	Defined_Atom_Stereo_Count	6
71587637	Structure_Complexity	450
90863152	Rotatable_Bond_Count	0
11595	Total_Formal_Charge	0
444863	Exact_Mass	164.06847348
13561	Non-hydrogen_Atom_Count	12
471	Molecular_Weight	304.25
100707	Mono_Isotopic_Weight	335.897817
365	TPSA	389
70688570	Non-hydrogen_Atom_Count	29
66684136	Structure_Complexity	582
4146595	Undefined_Bond_Stereo_Count	0
20632752	Total_Formal_Charge	0
59348	XLogP3-AA	2.5
27979	XLogP3-AA	1.4
60672	Non-hydrogen_Atom_Count	30
44668	Exact_Mass	228.162648646
718	Tautomer_Count	1
4017	Mono_Isotopic_Weight	1406.93370526
156618026	Structure_Complexity	382
97780	XLogP3	3
19810797	Covalent_Unit_Count	1
54676715	Non-hydrogen_Atom_Count	18
82755	Tautomer_Count	18
20841747	Hydrogen_Bond_Acceptor_Count	3
23723	Hydrogen_Bond_Donor_Count	0
5080759	Molecular_Weight	230.26
77064	Structure_Complexity	21.5
3176	Isotope_Atom_Count	0
53873	Undefined_Bond_Stereo_Count	0
131852189	Structure_Complexity	303
45934203	Rotatable_Bond_Count	9
69829	Defined_Bond_Stereo_Count	0
21720414	Undefined_Bond_Stereo_Count	0
415868	Undefined_Bond_Stereo_Count	0
8084	Defined_Bond_Stereo_Count	0
631271	Molecular_Weight	344.4
6999977	Mono_Isotopic_Weight	146.094294304
54602908	Undefined_Bond_Stereo_Count	0
64200	Defined_Atom_Stereo_Count	0
7094	Tautomer_Count	1
265375	Isotope_Atom_Count	0
88959077	Hydrogen_Bond_Acceptor_Count	2
4290	Non-hydrogen_Atom_Count	21
1438150	Covalent_Unit_Count	1
11953897	Hydrogen_Bond_Acceptor_Count	35
24900874	Hydrogen_Bond_Acceptor_Count	7
16454	Non-hydrogen_Atom_Count	7
79358	Structure_Complexity	186
5354043	XLogP3	5.7
1821	Defined_Bond_Stereo_Count	0
12296	XLogP3-AA	1.6
6918123	Undefined_Atom_Stereo_Count	0
243274	Isotope_Atom_Count	0
728672	Rotatable_Bond_Count	3
164512	TPSA	51.2
14194343	Covalent_Unit_Count	1
124846	Total_Formal_Charge	0
44445686	Mono_Isotopic_Weight	416.32904526
6399027	TPSA	58.9
5944	Exact_Mass	196.07355886
70680969	Covalent_Unit_Count	1
77737505	Hydrogen_Bond_Donor_Count	1
130124661	TPSA	29.5
11062312	Hydrogen_Bond_Acceptor_Count	1
5352449	Defined_Bond_Stereo_Count	2
11428	Structure_Complexity	23.1
8187	Tautomer_Count	2
92163	TPSA	41.1
3392731	Hydrogen_Bond_Donor_Count	2
74195	Hydrogen_Bond_Acceptor_Count	0
85287580	Non-hydrogen_Atom_Count	7
22860	Total_Formal_Charge	0
12543813	Hydrogen_Bond_Donor_Count	0
10783	Defined_Bond_Stereo_Count	0
22313123	Total_Formal_Charge	0
11317	Undefined_Atom_Stereo_Count	0
58746	Undefined_Atom_Stereo_Count	1
57481197	Hydrogen_Bond_Donor_Count	1
23262319	Exact_Mass	98.073164938
140203	Isotope_Atom_Count	0
146158032	Isotope_Atom_Count	3
5880	Total_Formal_Charge	0
3343	Structure_Complexity	310
564847	Undefined_Atom_Stereo_Count	0
1701	Molecular_Weight	203.24
15260	Total_Formal_Charge	0
5374274	Defined_Atom_Stereo_Count	0
71719928	Covalent_Unit_Count	1
86254	Defined_Bond_Stereo_Count	0
9902	TPSA	57.5
78330	Undefined_Atom_Stereo_Count	0
20980871	Undefined_Bond_Stereo_Count	1
13785328	Structure_Complexity	590
10638446	Hydrogen_Bond_Donor_Count	0
7021156	Hydrogen_Bond_Acceptor_Count	2
69393	Molecular_Weight	70.09
107282	Molecular_Weight	116.11
15938	Rotatable_Bond_Count	1
23278861	Hydrogen_Bond_Acceptor_Count	14
1201546	Isotope_Atom_Count	0
155613706	Isotope_Atom_Count	0
54328926	Defined_Bond_Stereo_Count	0
403165	Mono_Isotopic_Weight	339.98474
3033953	Defined_Bond_Stereo_Count	0
14	Isotope_Atom_Count	0
11319966	Molecular_Weight	690.9
12288423	Defined_Bond_Stereo_Count	0
454105	Molecular_Weight	493.6
57009	XLogP3-AA	3.6
22022636	Defined_Atom_Stereo_Count	0
71541096	Non-hydrogen_Atom_Count	18
6405709	TPSA	77.8
95354	Isotope_Atom_Count	0
12608294	Undefined_Bond_Stereo_Count	0
69698	Tautomer_Count	2
10698	XLogP3-AA	2.7
127736	Hydrogen_Bond_Acceptor_Count	6
12742	Hydrogen_Bond_Donor_Count	0
40399	Undefined_Bond_Stereo_Count	0
9400	Non-hydrogen_Atom_Count	32
565574	Isotope_Atom_Count	0
17745	Undefined_Atom_Stereo_Count	1
24871512	Rotatable_Bond_Count	3
12123876	XLogP3-AA	5.8
70691434	Covalent_Unit_Count	1
417349	Non-hydrogen_Atom_Count	18
50	Total_Formal_Charge	0
66908762	XLogP3-AA	1.7
1117	Undefined_Atom_Stereo_Count	0
3745420	Undefined_Atom_Stereo_Count	0
10215	Undefined_Bond_Stereo_Count	0
8816	Undefined_Atom_Stereo_Count	0
20172	Defined_Bond_Stereo_Count	0
139078863	Hydrogen_Bond_Donor_Count	1
7168	Non-hydrogen_Atom_Count	15
53233899	XLogP3-AA	4.8
55289911	Defined_Bond_Stereo_Count	0
7547	TPSA	41.1
6919175	Exact_Mass	166.123189134
5321765	Exact_Mass	338.15180918
9954082	Undefined_Atom_Stereo_Count	0
135981362	Structure_Complexity	832
5284514	Exact_Mass	348.183778013
67246787	Non-hydrogen_Atom_Count	29
3825	Hydrogen_Bond_Donor_Count	1
70684819	Defined_Atom_Stereo_Count	0
18953179	Non-hydrogen_Atom_Count	21
69732358	Hydrogen_Bond_Donor_Count	1
5364759	Tautomer_Count	1
641496	Covalent_Unit_Count	1
5358751	Total_Formal_Charge	0
123487779	Isotope_Atom_Count	0
16757815	Hydrogen_Bond_Acceptor_Count	16
62066	Covalent_Unit_Count	2
8127	Non-hydrogen_Atom_Count	8
69491	Isotope_Atom_Count	0
3858	Structure_Complexity	231
9911830	Mono_Isotopic_Weight	454.1043974
9835303	Hydrogen_Bond_Acceptor_Count	2
8364	XLogP3	5.7
64738	Rotatable_Bond_Count	4
3270262	Hydrogen_Bond_Acceptor_Count	3
74348	Mono_Isotopic_Weight	133.110278721
489236	Undefined_Atom_Stereo_Count	1
5432	Tautomer_Count	6
445212	Defined_Atom_Stereo_Count	4
75252	Total_Formal_Charge	0
143339316	Non-hydrogen_Atom_Count	8
60150535	Molecular_Weight	378.4
6918494	Defined_Bond_Stereo_Count	0
3878	Hydrogen_Bond_Acceptor_Count	5
387	Exact_Mass	885.15707506
109318	Isotope_Atom_Count	0
46206642	Molecular_Weight	449.4
123145	Non-hydrogen_Atom_Count	3
67954	Hydrogen_Bond_Acceptor_Count	1
117	Mono_Isotopic_Weight	127.038176411
136662680	Isotope_Atom_Count	0
70694239	XLogP3-AA	2.9
6915744	Total_Formal_Charge	0
138914	Non-hydrogen_Atom_Count	8
3254	Mono_Isotopic_Weight	708.37209184
274074	TPSA	15.6
11926	Molecular_Weight	143.18
11240515	Non-hydrogen_Atom_Count	7
17017	Rotatable_Bond_Count	3
21443942	Covalent_Unit_Count	1
9855455	Mono_Isotopic_Weight	101.047678466
23664294	Hydrogen_Bond_Acceptor_Count	4
21152819	Structure_Complexity	149
5312108	Isotope_Atom_Count	0
7974	Molecular_Weight	99.17
156592459	Defined_Atom_Stereo_Count	11
14325610	Structure_Complexity	40.7
9274	Mono_Isotopic_Weight	185.99380893
78323	Total_Formal_Charge	0
10239769	Rotatable_Bond_Count	14
21145	Structure_Complexity	257
28140	Defined_Atom_Stereo_Count	0
10510810	Undefined_Bond_Stereo_Count	0
36523	Isotope_Atom_Count	0
36255	TPSA	163
11471380	Defined_Bond_Stereo_Count	0
441140	Rotatable_Bond_Count	3
67314475	TPSA	40.7
76980	Defined_Atom_Stereo_Count	0
391144	Rotatable_Bond_Count	6
7081	Hydrogen_Bond_Donor_Count	2
72104	Tautomer_Count	3
53316378	Defined_Atom_Stereo_Count	4
6420	Non-hydrogen_Atom_Count	7
55973	XLogP3	3.4
51038316	Rotatable_Bond_Count	8
76957024	Hydrogen_Bond_Acceptor_Count	4
21618092	Exact_Mass	111.104799419
12468309	Non-hydrogen_Atom_Count	8
14260	Non-hydrogen_Atom_Count	14
12647151	Hydrogen_Bond_Donor_Count	1
24762	XLogP3-AA	7.8
71221	Hydrogen_Bond_Donor_Count	1
4115	Molecular_Weight	345.6
76430	Total_Formal_Charge	0
84253	Tautomer_Count	5
129696858	TPSA	116
144606028	Defined_Atom_Stereo_Count	0
159289	Mono_Isotopic_Weight	333.08956053
3230	Defined_Bond_Stereo_Count	0
3068143	Defined_Atom_Stereo_Count	4
76196	Hydrogen_Bond_Donor_Count	2
2734227	Total_Formal_Charge	0
156285535	Isotope_Atom_Count	0
4497	Hydrogen_Bond_Acceptor_Count	8
21914607	Molecular_Weight	99.17
5537	Rotatable_Bond_Count	3
3830	Isotope_Atom_Count	0
25014075	Undefined_Atom_Stereo_Count	4
70609	Defined_Bond_Stereo_Count	0
90778	Defined_Atom_Stereo_Count	0
22378	Rotatable_Bond_Count	6
3049698	Non-hydrogen_Atom_Count	21
5488186	Structure_Complexity	317
45351	Molecular_Weight	277.79
57393918	Non-hydrogen_Atom_Count	25
67520	Defined_Atom_Stereo_Count	0
7505	Defined_Atom_Stereo_Count	0
23709629	Total_Formal_Charge	0
701741	Undefined_Atom_Stereo_Count	0
86165635	TPSA	32.8
42546	Total_Formal_Charge	0
75421	Total_Formal_Charge	0
21325775	Defined_Bond_Stereo_Count	0
144452917	Undefined_Atom_Stereo_Count	0
95228	Mono_Isotopic_Weight	217.146664230
8861	Molecular_Weight	109.13
161129	Isotope_Atom_Count	0
1145	Total_Formal_Charge	0
13301951	Total_Formal_Charge	0
129678	Exact_Mass	258.125594432
167451	TPSA	27.8
36299	Undefined_Atom_Stereo_Count	0
7111	Molecular_Weight	184.24
112265	Structure_Complexity	72.5
76403	Mono_Isotopic_Weight	207.924948
4855	Total_Formal_Charge	0
22245511	Non-hydrogen_Atom_Count	11
4323	Defined_Bond_Stereo_Count	0
56846351	Covalent_Unit_Count	2
5288227	Defined_Atom_Stereo_Count	0
14168316	Isotope_Atom_Count	0
284998	Rotatable_Bond_Count	5
10297818	Covalent_Unit_Count	1
8627	Exact_Mass	804.04570957
4794	Hydrogen_Bond_Acceptor_Count	5
71160	Defined_Bond_Stereo_Count	0
3033332	Undefined_Atom_Stereo_Count	0
17982851	Rotatable_Bond_Count	0
92840	Mono_Isotopic_Weight	164.083729621
10353	Rotatable_Bond_Count	1
19032309	Hydrogen_Bond_Donor_Count	2
91168430	Hydrogen_Bond_Acceptor_Count	2
57261612	Exact_Mass	109.063997236
764764	Undefined_Bond_Stereo_Count	0
23260879	Undefined_Atom_Stereo_Count	0
73707684	Structure_Complexity	79.8
84253	Undefined_Atom_Stereo_Count	0
3700118	Exact_Mass	122.096974387
5516	XLogP3-AA	7.2
108156	Structure_Complexity	546
21584701	XLogP3-AA	3
784510	Covalent_Unit_Count	1
5484735	Exact_Mass	523.02901142
20553328	Molecular_Weight	103.15
10219416	Covalent_Unit_Count	1
69141	Undefined_Atom_Stereo_Count	0
1482928	Exact_Mass	316.09716845
3681700	Total_Formal_Charge	0
9812	Molecular_Weight	229.25
10460	TPSA	17.1
57054	Total_Formal_Charge	0
5399	Defined_Bond_Stereo_Count	0
12754519	Isotope_Atom_Count	0
72683	Undefined_Atom_Stereo_Count	0
11859	Hydrogen_Bond_Acceptor_Count	1
87386545	Total_Formal_Charge	0
22002061	Non-hydrogen_Atom_Count	8
104769	Undefined_Bond_Stereo_Count	0
31779	TPSA	101
126667515	TPSA	52
1416	Undefined_Atom_Stereo_Count	2
22082536	Total_Formal_Charge	0
70690618	Defined_Atom_Stereo_Count	0
19956670	Undefined_Atom_Stereo_Count	1
16757820	Isotope_Atom_Count	0
6918649	Hydrogen_Bond_Donor_Count	2
21894213	Mono_Isotopic_Weight	199.12084340
146156358	Rotatable_Bond_Count	3
16205480	Covalent_Unit_Count	1
14601092	Undefined_Bond_Stereo_Count	0
69589310	Mono_Isotopic_Weight	114.104465066
53317131	Structure_Complexity	656
75783	Hydrogen_Bond_Acceptor_Count	29
15018	Undefined_Atom_Stereo_Count	0
3008	Hydrogen_Bond_Donor_Count	0
136305612	Undefined_Atom_Stereo_Count	0
17304	Hydrogen_Bond_Acceptor_Count	3
88089033	Hydrogen_Bond_Acceptor_Count	2
494023	Defined_Bond_Stereo_Count	0
20439251	Defined_Bond_Stereo_Count	0
71311382	Structure_Complexity	443
85787089	XLogP3-AA	0.7
17234	Non-hydrogen_Atom_Count	19
18290	Total_Formal_Charge	0
70267	Covalent_Unit_Count	1
195	Isotope_Atom_Count	0
674754	Exact_Mass	314.05725734
9934458	Structure_Complexity	612
2735071	Non-hydrogen_Atom_Count	18
14306122	TPSA	52.6
55286731	Defined_Atom_Stereo_Count	0
52865	Defined_Atom_Stereo_Count	0
10246085	Hydrogen_Bond_Acceptor_Count	3
121596237	Structure_Complexity	165
21157625	Mono_Isotopic_Weight	192.01710661
12162479	Undefined_Bond_Stereo_Count	0
13279677	Undefined_Atom_Stereo_Count	0
73442	Defined_Atom_Stereo_Count	0
3457331	Defined_Atom_Stereo_Count	0
12303783	TPSA	69.9
6334	Hydrogen_Bond_Donor_Count	0
91495606	Mono_Isotopic_Weight	114.104465066
130149197	TPSA	20.2
25010550	Total_Formal_Charge	0
4136521	Structure_Complexity	986
9630	Total_Formal_Charge	0
9643	Molecular_Weight	232.94
62705687	TPSA	126
7569	Exact_Mass	393.339550376
18352756	Isotope_Atom_Count	0
103564347	XLogP3-AA	1.6
18598488	Mono_Isotopic_Weight	155.091532086
57395308	Isotope_Atom_Count	0
16688300	Undefined_Atom_Stereo_Count	0
87962	Hydrogen_Bond_Acceptor_Count	2
12310946	Hydrogen_Bond_Donor_Count	0
351622	Undefined_Atom_Stereo_Count	1
89374436	Rotatable_Bond_Count	0
1564	Defined_Bond_Stereo_Count	0
23700091	Exact_Mass	224.02396101
22263119	Defined_Atom_Stereo_Count	0
12454	Tautomer_Count	1
10996972	Defined_Atom_Stereo_Count	0
31	Defined_Atom_Stereo_Count	0
15273943	Covalent_Unit_Count	1
260859	Mono_Isotopic_Weight	342.117352223
19905962	Undefined_Bond_Stereo_Count	0
11953947	Covalent_Unit_Count	2
50112	Molecular_Weight	1473.6
5323	Undefined_Atom_Stereo_Count	0
25052652	Defined_Atom_Stereo_Count	1
115739	Structure_Complexity	240
135539121	Mono_Isotopic_Weight	516.16787042
71582942	TPSA	63.2
18484	Mono_Isotopic_Weight	290.17944152
7265	Structure_Complexity	99.1
6918835	Defined_Atom_Stereo_Count	5
4797519	Structure_Complexity	359
7047	Structure_Complexity	111
54502555	Undefined_Bond_Stereo_Count	0
67254077	Mono_Isotopic_Weight	443.1512880
55473	Covalent_Unit_Count	1
2227	Total_Formal_Charge	0
6539017	Total_Formal_Charge	0
72392	Rotatable_Bond_Count	3
75634	Non-hydrogen_Atom_Count	7
72943	Hydrogen_Bond_Acceptor_Count	6
27383	Exact_Mass	271.0975211
79425	Tautomer_Count	1
131801109	Structure_Complexity	1310
104610	Rotatable_Bond_Count	3
76767	Covalent_Unit_Count	1
3372845	Molecular_Weight	178.23
9845059	Hydrogen_Bond_Donor_Count	2
1181	Defined_Bond_Stereo_Count	0
7534	XLogP3-AA	2.8
131801303	Exact_Mass	1220.61898316
1179	Molecular_Weight	836.8
6432565	Mono_Isotopic_Weight	272.177630004
9891637	Non-hydrogen_Atom_Count	36
15565709	Total_Formal_Charge	0
21345781	Non-hydrogen_Atom_Count	6
104276777	TPSA	9.2
9843744	Hydrogen_Bond_Acceptor_Count	5
21354407	Non-hydrogen_Atom_Count	8
44126086	Hydrogen_Bond_Acceptor_Count	5
14045178	Covalent_Unit_Count	1
200213	Defined_Atom_Stereo_Count	0
22220875	Undefined_Atom_Stereo_Count	0
5224	Defined_Bond_Stereo_Count	0
76430	Structure_Complexity	50.1
86767860	Rotatable_Bond_Count	1
9853053	Undefined_Bond_Stereo_Count	0
8883	Exact_Mass	142.099379685
57564	Total_Formal_Charge	0
19969	Isotope_Atom_Count	0
10701	Tautomer_Count	1
5281064	TPSA	195
13214209	Total_Formal_Charge	0
9869929	Tautomer_Count	9
12704941	Exact_Mass	102.115698455
501640	Molecular_Weight	289.41
266052	Total_Formal_Charge	0
70262	XLogP3-AA	1.3
2383	Undefined_Atom_Stereo_Count	0
9867	Undefined_Atom_Stereo_Count	0
168120	Mono_Isotopic_Weight	424.97360
11571555	Undefined_Bond_Stereo_Count	0
56649463	Isotope_Atom_Count	0
82658	Covalent_Unit_Count	1
93286	Defined_Atom_Stereo_Count	0
2330	Mono_Isotopic_Weight	318.316075280
146345448	Defined_Bond_Stereo_Count	0
71449750	Isotope_Atom_Count	0
5054	Defined_Bond_Stereo_Count	0
53895	TPSA	33.5
23678802	Covalent_Unit_Count	2
7212	Total_Formal_Charge	0
14510872	Covalent_Unit_Count	1
44630019	Total_Formal_Charge	0
45488121	XLogP3-AA	3.4
14257662	Total_Formal_Charge	0
487652	Mono_Isotopic_Weight	476.0112815
81512	Rotatable_Bond_Count	0
11407637	XLogP3-AA	2.4
19161	Total_Formal_Charge	0
62092	Isotope_Atom_Count	0
10364	Tautomer_Count	9
69498345	Mono_Isotopic_Weight	99.104799419
5359541	Isotope_Atom_Count	0
58166	Total_Formal_Charge	0
71452498	Total_Formal_Charge	0
57397462	Defined_Bond_Stereo_Count	0
57522038	Mono_Isotopic_Weight	364.14747269
441174	Undefined_Bond_Stereo_Count	0
13247	XLogP3	2.8
90449	Covalent_Unit_Count	2
6115	Mono_Isotopic_Weight	93.057849228
48978	Defined_Atom_Stereo_Count	0
14589	Mono_Isotopic_Weight	208.088815002
74823	Mono_Isotopic_Weight	246.0447573
63134	Isotope_Atom_Count	0
69465	Undefined_Bond_Stereo_Count	0
24825266	Undefined_Atom_Stereo_Count	0
85939688	Non-hydrogen_Atom_Count	18
15475335	TPSA	48.9
12668	Undefined_Bond_Stereo_Count	3
19375411	Hydrogen_Bond_Donor_Count	0
21817602	Isotope_Atom_Count	0
87359450	Covalent_Unit_Count	1
14765771	Exact_Mass	108.032362755
23631982	Defined_Atom_Stereo_Count	3
49857672	XLogP3-AA	3
19527	Total_Formal_Charge	0
6433547	Non-hydrogen_Atom_Count	12
60196290	Rotatable_Bond_Count	10
154776153	Rotatable_Bond_Count	0
129711560	Defined_Bond_Stereo_Count	0
79309	Undefined_Bond_Stereo_Count	0
12202	Undefined_Bond_Stereo_Count	0
19905962	Hydrogen_Bond_Acceptor_Count	2
52938427	Structure_Complexity	609
18928374	Structure_Complexity	94
25184541	Total_Formal_Charge	0
57174031	XLogP3	3.8
11715	Hydrogen_Bond_Acceptor_Count	1
2771013	Hydrogen_Bond_Donor_Count	2
24397	Hydrogen_Bond_Donor_Count	2
70837736	Exact_Mass	342.11621151
72015	TPSA	130
642781	Structure_Complexity	165
39234960	Hydrogen_Bond_Acceptor_Count	2
548185	TPSA	55
46557	Exact_Mass	364.06478
44629654	TPSA	47.9
8895	Undefined_Atom_Stereo_Count	0
6481	Molecular_Weight	244.37
16137271	Non-hydrogen_Atom_Count	413
16220111	Total_Formal_Charge	0
7059571	Molecular_Weight	328.20
5280489	Defined_Atom_Stereo_Count	0
836002	Mono_Isotopic_Weight	232.0403406
127394	Defined_Atom_Stereo_Count	0
62274	Rotatable_Bond_Count	0
10762413	Hydrogen_Bond_Acceptor_Count	3
11147687	Hydrogen_Bond_Donor_Count	1
69990	Molecular_Weight	194.98
91664033	Hydrogen_Bond_Donor_Count	30
130510864	Structure_Complexity	94
2572	Mono_Isotopic_Weight	175.08445790
8566	Exact_Mass	808.8803
1976	Molecular_Weight	643.6
1550489	Total_Formal_Charge	0
10083	Structure_Complexity	274
56841655	Isotope_Atom_Count	0
69333614	Total_Formal_Charge	0
53935056	Non-hydrogen_Atom_Count	7
10434211	Covalent_Unit_Count	1
46244259	Total_Formal_Charge	0
23682187	Rotatable_Bond_Count	5
5351548	Undefined_Bond_Stereo_Count	0
38302	Undefined_Bond_Stereo_Count	0
31279	Exact_Mass	97.089149355
21702776	Non-hydrogen_Atom_Count	8
55293	Non-hydrogen_Atom_Count	14
54234844	Total_Formal_Charge	0
22015	Hydrogen_Bond_Donor_Count	0
859174	Defined_Atom_Stereo_Count	0
66162	Molecular_Weight	340.4
156599244	Total_Formal_Charge	0
54585640	Mono_Isotopic_Weight	403.07012827
13396	Defined_Bond_Stereo_Count	0
126968495	TPSA	195
62652	Hydrogen_Bond_Acceptor_Count	0
24848068	Undefined_Bond_Stereo_Count	0
5320621	Defined_Bond_Stereo_Count	2
618542	Undefined_Atom_Stereo_Count	0
271	Exact_Mass	39.9625908
81141	Structure_Complexity	142
71681318	Undefined_Atom_Stereo_Count	2
70991	Non-hydrogen_Atom_Count	13
2860	Isotope_Atom_Count	0
76969110	Rotatable_Bond_Count	12
3146673	Non-hydrogen_Atom_Count	19
2922	Molecular_Weight	523.6
6621	Undefined_Atom_Stereo_Count	0
69892	XLogP3-AA	2.2
12059921	Undefined_Bond_Stereo_Count	0
22013	Defined_Atom_Stereo_Count	0
9839243	Undefined_Atom_Stereo_Count	0
2736548	TPSA	17.1
135942119	Exact_Mass	533.98283616
436542	Isotope_Atom_Count	0
557903	Undefined_Atom_Stereo_Count	0
49866901	TPSA	148
13661	Defined_Atom_Stereo_Count	0
5462501	Mono_Isotopic_Weight	348.16852187
59202444	Undefined_Atom_Stereo_Count	5
66673773	Non-hydrogen_Atom_Count	8
177870	Undefined_Atom_Stereo_Count	0
3093785	Non-hydrogen_Atom_Count	17
22061626	Covalent_Unit_Count	1
42790	Hydrogen_Bond_Acceptor_Count	6
349711	Rotatable_Bond_Count	1
12309521	Exact_Mass	324.183778013
11844916	Defined_Bond_Stereo_Count	0
11593706	Structure_Complexity	81.4
21798	Defined_Bond_Stereo_Count	0
54758216	Hydrogen_Bond_Acceptor_Count	6
44565819	Hydrogen_Bond_Donor_Count	3
28102	TPSA	38.8
83224	Covalent_Unit_Count	1
9162	Hydrogen_Bond_Acceptor_Count	0
13200	Total_Formal_Charge	0
27435	Mono_Isotopic_Weight	217.07389321
136892	Tautomer_Count	2
53808	Undefined_Atom_Stereo_Count	0
76223467	Covalent_Unit_Count	1
24785538	XLogP3-AA	2.9
85673900	Defined_Atom_Stereo_Count	0
125461708	Molecular_Weight	527.5
5459124	Undefined_Bond_Stereo_Count	0
439518	Structure_Complexity	710
126514322	Undefined_Atom_Stereo_Count	0
11547499	Undefined_Bond_Stereo_Count	0
14073	Molecular_Weight	57.09
5748361	Rotatable_Bond_Count	9
6235	Covalent_Unit_Count	1
88638	XLogP3	1.5
157857	Hydrogen_Bond_Donor_Count	1
85356809	Molecular_Weight	116.11
49868370	Covalent_Unit_Count	1
101684738	Defined_Atom_Stereo_Count	0
130408536	Molecular_Weight	373.4
122361564	XLogP3-AA	5.9
21078422	Defined_Atom_Stereo_Count	0
43226	Defined_Atom_Stereo_Count	0
77544	Undefined_Atom_Stereo_Count	0
23665728	Defined_Atom_Stereo_Count	0
123385	Defined_Bond_Stereo_Count	0
59295925	Molecular_Weight	568.5
9419	Isotope_Atom_Count	0
10170	Hydrogen_Bond_Acceptor_Count	8
268	Mono_Isotopic_Weight	1149.35159721
16721	Defined_Bond_Stereo_Count	0
20996	Hydrogen_Bond_Acceptor_Count	0
59755734	TPSA	3.2
21613900	Molecular_Weight	111.10
71219	Undefined_Atom_Stereo_Count	0
13408099	TPSA	52.3
8970	Exact_Mass	334.21440943
65761	Molecular_Weight	193.22
144750	Total_Formal_Charge	0
1521	XLogP3-AA	1.7
41693	TPSA	61
44838	Defined_Atom_Stereo_Count	0
21464101	Mono_Isotopic_Weight	99.068413911
9866186	Rotatable_Bond_Count	4
58247512	Covalent_Unit_Count	1
13194811	Hydrogen_Bond_Acceptor_Count	3
25600	Hydrogen_Bond_Donor_Count	2
67639	Molecular_Weight	332.09
9596	Covalent_Unit_Count	1
58655	Exact_Mass	277.0748676
30921	Defined_Atom_Stereo_Count	0
8122	Exact_Mass	312.302830514
42000	Rotatable_Bond_Count	4
1980698	Hydrogen_Bond_Donor_Count	2
3337411	Exact_Mass	388.09921878
11700183	Isotope_Atom_Count	0
99027	Isotope_Atom_Count	0
167693	Hydrogen_Bond_Donor_Count	0
15575619	Mono_Isotopic_Weight	752.41490014
57228932	Non-hydrogen_Atom_Count	8
9830667	Hydrogen_Bond_Donor_Count	3
44144517	Rotatable_Bond_Count	2
75057	Molecular_Weight	354.7
3058754	Exact_Mass	397.07079698
398675	TPSA	36
88937798	Undefined_Atom_Stereo_Count	0
44580386	Defined_Atom_Stereo_Count	0
2949	Undefined_Atom_Stereo_Count	6
4743	Isotope_Atom_Count	0
102004585	Undefined_Atom_Stereo_Count	1
26989	Isotope_Atom_Count	0
78435	Hydrogen_Bond_Acceptor_Count	4
54352810	Hydrogen_Bond_Donor_Count	0
3208	Defined_Atom_Stereo_Count	0
7916	Isotope_Atom_Count	0
101630689	Defined_Atom_Stereo_Count	13
1217	Exact_Mass	167.058243149
15805370	TPSA	17.1
16212360	Molecular_Weight	100.02
4120	XLogP3-AA	1.3
6538972	Undefined_Atom_Stereo_Count	1
93184	Molecular_Weight	494.6
136340880	Hydrogen_Bond_Donor_Count	1
6443347	Total_Formal_Charge	0
439302	Total_Formal_Charge	0
130126869	Covalent_Unit_Count	1
39212	Mono_Isotopic_Weight	491.18793473
65725	Mono_Isotopic_Weight	102.042927438
129228	Mono_Isotopic_Weight	238.06661722
9743	TPSA	20.2
6433288	Undefined_Atom_Stereo_Count	0
11544171	Defined_Atom_Stereo_Count	0
25273647	Covalent_Unit_Count	1
6454737	Isotope_Atom_Count	0
11959	Mono_Isotopic_Weight	149.084063974
5736	Molecular_Weight	331.9
44421145	Covalent_Unit_Count	2
122	Tautomer_Count	8
53893761	Hydrogen_Bond_Acceptor_Count	3
27295	Defined_Atom_Stereo_Count	0
14214	Undefined_Atom_Stereo_Count	0
574613	Defined_Bond_Stereo_Count	0
13639779	Molecular_Weight	109.13
54758599	Hydrogen_Bond_Acceptor_Count	30
14048405	Undefined_Atom_Stereo_Count	1
71455485	Defined_Atom_Stereo_Count	2
16351	Molecular_Weight	343.9
66007	Undefined_Atom_Stereo_Count	1
2911	Undefined_Atom_Stereo_Count	1
504	Tautomer_Count	5
551592	Covalent_Unit_Count	1
12304612	Exact_Mass	152.120115130
1074	TPSA	137
6473973	Undefined_Atom_Stereo_Count	2
3487	Isotope_Atom_Count	0
46893453	Covalent_Unit_Count	1
22718913	Hydrogen_Bond_Donor_Count	0
7850	XLogP3-AA	1.5
8855	Mono_Isotopic_Weight	106.0185425
10953443	Undefined_Bond_Stereo_Count	0
72200292	Undefined_Bond_Stereo_Count	0
12732836	Exact_Mass	153.151749610
16051935	Hydrogen_Bond_Acceptor_Count	12
104727	Isotope_Atom_Count	0
96251	Mono_Isotopic_Weight	244.088815002
92043128	Non-hydrogen_Atom_Count	53
139626115	Hydrogen_Bond_Donor_Count	0
19518	Undefined_Atom_Stereo_Count	0
5282550	Hydrogen_Bond_Donor_Count	0
7511	Defined_Bond_Stereo_Count	0
53359	Hydrogen_Bond_Donor_Count	1
7105	Tautomer_Count	1
11243969	Exact_Mass	315.19467705
9961878	Tautomer_Count	54
137938996	Exact_Mass	114.068079557
62753	Non-hydrogen_Atom_Count	31
135435111	Isotope_Atom_Count	0
24977256	Structure_Complexity	122
56955281	XLogP3-AA	3.6
109130	Hydrogen_Bond_Donor_Count	2
76692	Covalent_Unit_Count	1
11566	Mono_Isotopic_Weight	114.104465066
11681588	Undefined_Atom_Stereo_Count	0
159977	Exact_Mass	297.15896025
5287703	Covalent_Unit_Count	1
91116427	Non-hydrogen_Atom_Count	7
3032791	Defined_Bond_Stereo_Count	0
516910	Mono_Isotopic_Weight	84.95660973
24901351	Structure_Complexity	648
9871419	XLogP3-AA	2
62999	Tautomer_Count	1
68880	Undefined_Bond_Stereo_Count	0
5948958	Hydrogen_Bond_Donor_Count	1
445643	Rotatable_Bond_Count	7
2947	Hydrogen_Bond_Donor_Count	1
7138	Covalent_Unit_Count	1
16005120	Hydrogen_Bond_Donor_Count	1
9839581	Hydrogen_Bond_Acceptor_Count	6
91333	Exact_Mass	133.07389321
9855350	Hydrogen_Bond_Donor_Count	26
12681848	Non-hydrogen_Atom_Count	21
3325225	Hydrogen_Bond_Acceptor_Count	8
142796	Covalent_Unit_Count	1
9840517	Hydrogen_Bond_Donor_Count	4
67296898	Isotope_Atom_Count	0
9956119	Tautomer_Count	14
11566	Rotatable_Bond_Count	0
21180574	Tautomer_Count	5
19933	Isotope_Atom_Count	0
49806720	Defined_Bond_Stereo_Count	0
4369502	Isotope_Atom_Count	0
10701796	Defined_Atom_Stereo_Count	0
57465876	Exact_Mass	98.060588879
133667882	Exact_Mass	110.073164938
76305	Structure_Complexity	171
14923690	Undefined_Atom_Stereo_Count	2
20607223	Covalent_Unit_Count	1
21391554	Exact_Mass	101.047678466
54413601	Hydrogen_Bond_Donor_Count	0
10214379	XLogP3-AA	0.4
78160	Defined_Atom_Stereo_Count	0
214350	Covalent_Unit_Count	1
12527495	Undefined_Bond_Stereo_Count	0
3413668	Mono_Isotopic_Weight	270.161979940
24934	Undefined_Atom_Stereo_Count	0
520216	Isotope_Atom_Count	0
134925337	Non-hydrogen_Atom_Count	7
3014538	Undefined_Atom_Stereo_Count	1
77022	Non-hydrogen_Atom_Count	6
10895019	Defined_Bond_Stereo_Count	2
53317120	Defined_Bond_Stereo_Count	0
743681	TPSA	116
66707439	Hydrogen_Bond_Acceptor_Count	6
13333	Molecular_Weight	358.4
2776282	Structure_Complexity	525
24180717	Undefined_Atom_Stereo_Count	0
25380	Hydrogen_Bond_Acceptor_Count	1
15560	Non-hydrogen_Atom_Count	16
285402	Isotope_Atom_Count	0
52038	Undefined_Atom_Stereo_Count	0
16135	Tautomer_Count	1
13756	Total_Formal_Charge	0
2787	Hydrogen_Bond_Donor_Count	2
24848260	Hydrogen_Bond_Acceptor_Count	2
56670459	Hydrogen_Bond_Donor_Count	2
70150	Rotatable_Bond_Count	1
58054368	Rotatable_Bond_Count	9
10094429	Defined_Bond_Stereo_Count	0
135409453	Mono_Isotopic_Weight	301.19026037
10039774	Hydrogen_Bond_Acceptor_Count	2
52944109	Molecular_Weight	415.4
16050641	Hydrogen_Bond_Acceptor_Count	4
6326975	Covalent_Unit_Count	1
88929423	Defined_Atom_Stereo_Count	0
165079254	Defined_Atom_Stereo_Count	0
9799	Exact_Mass	394.21555225
5289158	Covalent_Unit_Count	1
11510	Undefined_Atom_Stereo_Count	0
439575	Covalent_Unit_Count	1
3823887	TPSA	154
164113876	Covalent_Unit_Count	1
11674455	Defined_Bond_Stereo_Count	0
16211984	Exact_Mass	181.06674293
129600765	Exact_Mass	342.11621151
65872	Defined_Atom_Stereo_Count	2
60698	TPSA	62.5
6427991	Hydrogen_Bond_Acceptor_Count	2
137941	Non-hydrogen_Atom_Count	8
67125854	Undefined_Atom_Stereo_Count	0
6871	Molecular_Weight	216.23
5391	Undefined_Atom_Stereo_Count	1
119084740	Structure_Complexity	119
135398501	Undefined_Atom_Stereo_Count	0
642766	Structure_Complexity	136
89061875	Undefined_Bond_Stereo_Count	0
74079	Mono_Isotopic_Weight	189.042593085
50293	Hydrogen_Bond_Acceptor_Count	1
77082	Molecular_Weight	394.7
10784	Molecular_Weight	220.01
129016768	Defined_Bond_Stereo_Count	0
88674536	Total_Formal_Charge	0
60052896	Exact_Mass	180.06338810
84363	Isotope_Atom_Count	0
69341050	Non-hydrogen_Atom_Count	8
242436	Exact_Mass	357.15762283
10142377	TPSA	149
7698	Hydrogen_Bond_Acceptor_Count	4
5354626	Tautomer_Count	4
72810	Molecular_Weight	210.19
5329105	Structure_Complexity	609
58608	TPSA	35.6
129010026	TPSA	196
72075	Rotatable_Bond_Count	4
9107	Non-hydrogen_Atom_Count	24
2542	Mono_Isotopic_Weight	314.224580195
24800211	Molecular_Weight	348.9
90994429	Total_Formal_Charge	0
23585071	Covalent_Unit_Count	1
11230	Molecular_Weight	154.25
133662452	TPSA	80.7
14799282	Defined_Atom_Stereo_Count	0
21058171	Defined_Atom_Stereo_Count	0
15678	Hydrogen_Bond_Donor_Count	0
63019	TPSA	107
40855	Total_Formal_Charge	0
225688	XLogP3-AA	9
6124212	Undefined_Atom_Stereo_Count	4
5008	Defined_Bond_Stereo_Count	0
31278	Defined_Bond_Stereo_Count	0
58153375	Non-hydrogen_Atom_Count	6
74859	Total_Formal_Charge	0
13804284	XLogP3-AA	0.1
153386860	Exact_Mass	110.073164938
5353897	Defined_Atom_Stereo_Count	0
34676239	Structure_Complexity	389
9220	Non-hydrogen_Atom_Count	9
440959	Non-hydrogen_Atom_Count	11
3781988	Undefined_Atom_Stereo_Count	0
644017	Isotope_Atom_Count	0
11046239	Hydrogen_Bond_Acceptor_Count	6
143723227	Defined_Bond_Stereo_Count	0
123620	XLogP3	2.7
3085416	Undefined_Bond_Stereo_Count	3
69332716	Undefined_Bond_Stereo_Count	0
99271	Total_Formal_Charge	0
4858	Non-hydrogen_Atom_Count	22
41541	XLogP3	5.9
10295295	Mono_Isotopic_Weight	414.230728204
2277	Hydrogen_Bond_Donor_Count	1
10901	Mono_Isotopic_Weight	56.037448136
42768	XLogP3	3.6
88855	Hydrogen_Bond_Donor_Count	0
21720742	Undefined_Bond_Stereo_Count	0
71311382	Total_Formal_Charge	0
8733	Defined_Atom_Stereo_Count	0
6439420	Exact_Mass	428.14396435
21047	Mono_Isotopic_Weight	397.24259324
75641	Isotope_Atom_Count	0
82458	Structure_Complexity	351
21484	Hydrogen_Bond_Donor_Count	1
72023	Rotatable_Bond_Count	6
36688115	Isotope_Atom_Count	0
19754954	Molecular_Weight	100.16
101048917	Molecular_Weight	110.11
12393169	Undefined_Bond_Stereo_Count	0
23565353	Isotope_Atom_Count	0
98017	Defined_Bond_Stereo_Count	0
274074	Non-hydrogen_Atom_Count	28
73902	Covalent_Unit_Count	2
66826	Total_Formal_Charge	0
13163973	Structure_Complexity	88.5
137185902	Total_Formal_Charge	0
64371	Structure_Complexity	239
7695	Undefined_Atom_Stereo_Count	0
139031529	XLogP3	0.7
136183544	Rotatable_Bond_Count	4
27402	Undefined_Bond_Stereo_Count	0
12295520	Defined_Atom_Stereo_Count	0
12978170	Molecular_Weight	96.17
9886086	Exact_Mass	378.10718492
74454	Total_Formal_Charge	0
136266076	Structure_Complexity	311
19842676	Structure_Complexity	201
12038941	TPSA	3.9
68137	Molecular_Weight	180.16
23134	Defined_Atom_Stereo_Count	0
55008	Hydrogen_Bond_Donor_Count	0
491728	Exact_Mass	474.05138
27670	Defined_Atom_Stereo_Count	0
67473	Covalent_Unit_Count	1
2723877	Total_Formal_Charge	0
6420041	Molecular_Weight	408.2
10986185	Total_Formal_Charge	0
89628790	Defined_Bond_Stereo_Count	0
62140646	Structure_Complexity	109
18150	Defined_Atom_Stereo_Count	0
4349627	Defined_Bond_Stereo_Count	0
51003592	Non-hydrogen_Atom_Count	18
138496	Undefined_Bond_Stereo_Count	0
191014	Undefined_Bond_Stereo_Count	0
702695	Molecular_Weight	183.12
129738033	Defined_Bond_Stereo_Count	0
60199634	Structure_Complexity	726
90915228	Structure_Complexity	155
8107	TPSA	29.5
15228410	TPSA	34.1
106195	Hydrogen_Bond_Donor_Count	1
12748956	Hydrogen_Bond_Acceptor_Count	2
19100334	Defined_Bond_Stereo_Count	0
589409	Hydrogen_Bond_Acceptor_Count	7
24530	Undefined_Atom_Stereo_Count	0
20392430	Structure_Complexity	82.6
33353	Total_Formal_Charge	0
57992078	Defined_Bond_Stereo_Count	0
13177193	Rotatable_Bond_Count	2
11409499	Undefined_Atom_Stereo_Count	0
131664136	Rotatable_Bond_Count	36
17948845	Defined_Bond_Stereo_Count	0
80873	Undefined_Atom_Stereo_Count	0
66908	Structure_Complexity	117
3964633	Undefined_Bond_Stereo_Count	0
87518	Defined_Bond_Stereo_Count	0
123732	Exact_Mass	230.01915430
10675	Isotope_Atom_Count	0
22068766	Defined_Bond_Stereo_Count	0
20259182	TPSA	0
16051941	Hydrogen_Bond_Acceptor_Count	23
11450633	Tautomer_Count	1
57400316	XLogP3	1.9
893562	Mono_Isotopic_Weight	286.9574550
542337	Molecular_Weight	100.16
17608	TPSA	47.6
57336812	Hydrogen_Bond_Acceptor_Count	7
135923569	Hydrogen_Bond_Acceptor_Count	4
3966	Total_Formal_Charge	0
7048634	Mono_Isotopic_Weight	395.03715355
497300	Defined_Bond_Stereo_Count	0
24875372	Undefined_Atom_Stereo_Count	0
403016	Non-hydrogen_Atom_Count	32
11225217	Molecular_Weight	472.0
6693	Defined_Atom_Stereo_Count	0
17234	Total_Formal_Charge	0
118705487	Structure_Complexity	160
5465	XLogP3	2.8
13265779	Non-hydrogen_Atom_Count	7
135332658	Undefined_Bond_Stereo_Count	0
58680	Undefined_Atom_Stereo_Count	0
448223	Structure_Complexity	419
46886975	Exact_Mass	378.10718492
7530950	Molecular_Weight	196.29
24802551	Undefined_Atom_Stereo_Count	1
122662800	Defined_Atom_Stereo_Count	0
10848	Undefined_Bond_Stereo_Count	0
144416139	Isotope_Atom_Count	0
123223	Hydrogen_Bond_Donor_Count	0
694876	Covalent_Unit_Count	1
234105	Hydrogen_Bond_Donor_Count	2
135988	Undefined_Atom_Stereo_Count	0
94784	Covalent_Unit_Count	1
20708	Isotope_Atom_Count	0
68847	Rotatable_Bond_Count	5
3279	Rotatable_Bond_Count	9
21490219	Rotatable_Bond_Count	1
1549002	Defined_Bond_Stereo_Count	0
74735	Isotope_Atom_Count	0
65453	TPSA	214
58544	Rotatable_Bond_Count	3
49864532	Hydrogen_Bond_Acceptor_Count	4
9958278	Mono_Isotopic_Weight	519.13517331
151896	Hydrogen_Bond_Acceptor_Count	14
21552585	Undefined_Atom_Stereo_Count	0
467	Mono_Isotopic_Weight	722.44402850
10677836	Structure_Complexity	2330
10693	Isotope_Atom_Count	0
17904650	Hydrogen_Bond_Donor_Count	2
6398764	Undefined_Atom_Stereo_Count	0
107767	XLogP3-AA	10
61196	Total_Formal_Charge	0
6537488	Total_Formal_Charge	0
88314154	Structure_Complexity	65.5
20055404	Defined_Bond_Stereo_Count	0
20486748	Exact_Mass	85.027611728
4373502	Mono_Isotopic_Weight	236.03679668
18759	Hydrogen_Bond_Acceptor_Count	1
440735	Undefined_Atom_Stereo_Count	0
25512	Exact_Mass	80.062600255
8989	Undefined_Bond_Stereo_Count	0
448799	Undefined_Atom_Stereo_Count	0
447196	Structure_Complexity	354
6918029	Tautomer_Count	1
3694035	Covalent_Unit_Count	1
10103794	Structure_Complexity	151
3507056	Exact_Mass	833.6394
1548968	Hydrogen_Bond_Donor_Count	1
91555	Undefined_Atom_Stereo_Count	6
105054	Exact_Mass	380.7134
7471	Exact_Mass	135.104799419
56662035	Defined_Atom_Stereo_Count	0
4168142	Hydrogen_Bond_Acceptor_Count	14
161830	Mono_Isotopic_Weight	266.85305
137704662	Exact_Mass	528.21078060
5479527	Hydrogen_Bond_Donor_Count	3
6917719	Undefined_Atom_Stereo_Count	0
156432753	Isotope_Atom_Count	0
15146	Rotatable_Bond_Count	3
25150856	TPSA	86.6
19910150	XLogP3-AA	0.5
86904	Undefined_Atom_Stereo_Count	0
12201383	Undefined_Bond_Stereo_Count	0
6992084	Isotope_Atom_Count	0
564890	Undefined_Atom_Stereo_Count	0
135121972	Mono_Isotopic_Weight	364.0713660
6917866	Hydrogen_Bond_Acceptor_Count	4
649852	Rotatable_Bond_Count	6
9883500	Rotatable_Bond_Count	1
96350	Hydrogen_Bond_Acceptor_Count	1
556998	Undefined_Bond_Stereo_Count	0
48040	Mono_Isotopic_Weight	388.1917559
115368	Hydrogen_Bond_Acceptor_Count	6
71308614	Hydrogen_Bond_Donor_Count	11
74062	Non-hydrogen_Atom_Count	15
1021	Covalent_Unit_Count	1
19186	Molecular_Weight	184.23
5355026	Undefined_Atom_Stereo_Count	0
8241	Hydrogen_Bond_Donor_Count	1
36832	Total_Formal_Charge	0
4452	Undefined_Bond_Stereo_Count	0
9936	Exact_Mass	251.01539010
23916	Total_Formal_Charge	0
215932	Undefined_Atom_Stereo_Count	0
53856650	Total_Formal_Charge	0
80426	Undefined_Atom_Stereo_Count	0
55400	XLogP3-AA	8.6
9939298	Non-hydrogen_Atom_Count	46
226147	Non-hydrogen_Atom_Count	18
17873276	TPSA	46.3
10240761	Covalent_Unit_Count	1
23724657	Exact_Mass	532.12169082
98306	Undefined_Bond_Stereo_Count	1
4615423	Non-hydrogen_Atom_Count	12
89385	Covalent_Unit_Count	1
87902592	Undefined_Bond_Stereo_Count	0
969014	Undefined_Atom_Stereo_Count	0
82058	Isotope_Atom_Count	0
17258	Hydrogen_Bond_Donor_Count	0
80466	Covalent_Unit_Count	1
3121	Exact_Mass	144.115029749
5284476	Structure_Complexity	243
94180	Total_Formal_Charge	0
33256	Tautomer_Count	2
5280794	Rotatable_Bond_Count	5
98452	Exact_Mass	116.047344113
69085357	Undefined_Bond_Stereo_Count	0
83814964	Undefined_Bond_Stereo_Count	0
54840	TPSA	21.3
17336	Hydrogen_Bond_Donor_Count	3
114751	Covalent_Unit_Count	1
12500872	Molecular_Weight	100.16
44344633	Isotope_Atom_Count	0
141168949	Isotope_Atom_Count	0
13264589	Hydrogen_Bond_Acceptor_Count	1
11857377	Molecular_Weight	244.25
10831	Tautomer_Count	4
22833294	XLogP3-AA	5.1
91438	Covalent_Unit_Count	1
6022	Structure_Complexity	638
2724275	Undefined_Bond_Stereo_Count	0
23278030	Hydrogen_Bond_Donor_Count	1
80274	Isotope_Atom_Count	0
86200	Non-hydrogen_Atom_Count	17
45357147	Undefined_Atom_Stereo_Count	13
126083	Non-hydrogen_Atom_Count	21
6931238	Structure_Complexity	171
23090352	Defined_Bond_Stereo_Count	0
129797817	Exact_Mass	113.047678466
160157	Molecular_Weight	205.64
3647	Defined_Bond_Stereo_Count	0
18518868	Hydrogen_Bond_Donor_Count	0
24536	Structure_Complexity	135
15107	Isotope_Atom_Count	0
87868	Total_Formal_Charge	0
65105	XLogP3-AA	0.9
641240	Total_Formal_Charge	0
46878363	Covalent_Unit_Count	3
12572713	Hydrogen_Bond_Acceptor_Count	3
15990796	Defined_Atom_Stereo_Count	0
441401	Hydrogen_Bond_Donor_Count	1
20767640	Hydrogen_Bond_Donor_Count	0
768	Isotope_Atom_Count	0
46898058	TPSA	108
439456	Molecular_Weight	420.10
44713104	Structure_Complexity	415
55790	Structure_Complexity	312
12004215	Defined_Atom_Stereo_Count	9
1507	Total_Formal_Charge	1
153991111	Rotatable_Bond_Count	1
129848458	Total_Formal_Charge	0
55276371	Rotatable_Bond_Count	0
11072675	Defined_Bond_Stereo_Count	0
44139752	Non-hydrogen_Atom_Count	17
135419186	Exact_Mass	422.95795
3770	Defined_Atom_Stereo_Count	0
11412	Structure_Complexity	40
87391	Hydrogen_Bond_Donor_Count	0
85573191	Mono_Isotopic_Weight	114.068079557
6604100	Defined_Bond_Stereo_Count	1
12536731	Non-hydrogen_Atom_Count	8
37901	Defined_Atom_Stereo_Count	0
114806	Hydrogen_Bond_Acceptor_Count	15
148118273	Isotope_Atom_Count	0
252499	TPSA	38.7
13000	Undefined_Bond_Stereo_Count	0
62313624	Structure_Complexity	86.2
70689351	Tautomer_Count	9
107770	Undefined_Atom_Stereo_Count	2
131728182	TPSA	40.1
97769	Defined_Bond_Stereo_Count	0
119093923	Defined_Bond_Stereo_Count	0
53904133	Total_Formal_Charge	0
110976	Molecular_Weight	254.41
22140765	Hydrogen_Bond_Donor_Count	2
536113	Undefined_Bond_Stereo_Count	0
7985	Undefined_Bond_Stereo_Count	0
57992039	Covalent_Unit_Count	1
305714	Defined_Atom_Stereo_Count	0
159866	Hydrogen_Bond_Donor_Count	1
38013	Rotatable_Bond_Count	1
22035328	Defined_Bond_Stereo_Count	0
141112	XLogP3-AA	1.1
44145008	Structure_Complexity	36.4
9892122	Hydrogen_Bond_Acceptor_Count	9
445318	Exact_Mass	292.18858861
93536	XLogP3-AA	4.4
20488507	Defined_Bond_Stereo_Count	0
6931	Defined_Bond_Stereo_Count	0
86210	Total_Formal_Charge	0
21702414	Defined_Bond_Stereo_Count	0
6593	Tautomer_Count	1
71272	Mono_Isotopic_Weight	392.02910
25023853	Covalent_Unit_Count	1
10866487	Hydrogen_Bond_Donor_Count	1
2733526	Molecular_Weight	371.5
11460	Covalent_Unit_Count	1
14055	Non-hydrogen_Atom_Count	4
3146673	Total_Formal_Charge	0
86101	XLogP3	2.1
5641	TPSA	52.3
167980	Molecular_Weight	423.9
3171	Rotatable_Bond_Count	3
9549326	Covalent_Unit_Count	1
444005	Rotatable_Bond_Count	14
51711	Defined_Atom_Stereo_Count	0
938845	Hydrogen_Bond_Donor_Count	0
166558	Mono_Isotopic_Weight	501.29128003
57572416	Undefined_Atom_Stereo_Count	1
8249	TPSA	103
16296	TPSA	26.3
124524088	Covalent_Unit_Count	1
58460742	Defined_Bond_Stereo_Count	0
7712	Hydrogen_Bond_Acceptor_Count	2
136261376	TPSA	42.7
7062	Undefined_Atom_Stereo_Count	0
22624610	Exact_Mass	94.016712692
21766189	Non-hydrogen_Atom_Count	8
120508	Defined_Bond_Stereo_Count	0
54266316	Non-hydrogen_Atom_Count	6
7012	Structure_Complexity	148
6437356	Defined_Atom_Stereo_Count	0
6397996	Non-hydrogen_Atom_Count	2
7608	Isotope_Atom_Count	0
21058	Defined_Bond_Stereo_Count	0
443940	Mono_Isotopic_Weight	213.06372245
5282450	Rotatable_Bond_Count	8
10855394	Undefined_Atom_Stereo_Count	0
9875401	Defined_Atom_Stereo_Count	1
139292186	Defined_Bond_Stereo_Count	2
101638261	Molecular_Weight	154.16
124019740	Isotope_Atom_Count	0
146170507	Molecular_Weight	665.7
51671	Mono_Isotopic_Weight	413.18854629
133520	Hydrogen_Bond_Donor_Count	2
4397	Defined_Bond_Stereo_Count	0
87940821	XLogP3-AA	0
91037	Hydrogen_Bond_Donor_Count	2
6507	Molecular_Weight	360.4
307982	Hydrogen_Bond_Donor_Count	2
220486	Hydrogen_Bond_Acceptor_Count	2
12998627	Exact_Mass	250.01157045
149086	Structure_Complexity	1450
1261	Molecular_Weight	327.1
7098662	Undefined_Bond_Stereo_Count	0
56649463	Hydrogen_Bond_Donor_Count	4
443151	Undefined_Bond_Stereo_Count	0
61591	Tautomer_Count	1
21187633	Isotope_Atom_Count	0
91649	Tautomer_Count	2
265635	Defined_Bond_Stereo_Count	0
71225	Defined_Bond_Stereo_Count	0
99033	Covalent_Unit_Count	1
78521	Mono_Isotopic_Weight	339.0444402
22101702	Hydrogen_Bond_Acceptor_Count	1
439202	Total_Formal_Charge	0
15937952	Non-hydrogen_Atom_Count	7
22386467	Mono_Isotopic_Weight	418.051880
67296	Undefined_Atom_Stereo_Count	0
20701649	Non-hydrogen_Atom_Count	7
16536	Total_Formal_Charge	0
68081017	Total_Formal_Charge	0
13027931	Defined_Bond_Stereo_Count	0
254454	Rotatable_Bond_Count	9
31872	Total_Formal_Charge	0
71366347	Mono_Isotopic_Weight	86.036779430
7530950	Undefined_Bond_Stereo_Count	0
114869	Hydrogen_Bond_Acceptor_Count	4
6012	Non-hydrogen_Atom_Count	30
11503417	Mono_Isotopic_Weight	454.33077660
46173365	Structure_Complexity	1120
41779	Undefined_Bond_Stereo_Count	0
57396865	XLogP3-AA	3.5
36559	XLogP3-AA	5.3
19363031	Total_Formal_Charge	0
48956	Total_Formal_Charge	0
223368	Covalent_Unit_Count	1
4594639	Structure_Complexity	86
20517187	Isotope_Atom_Count	0
59073	Hydrogen_Bond_Acceptor_Count	3
73353803	Mono_Isotopic_Weight	308.13722174
634278	Rotatable_Bond_Count	5
54582797	Hydrogen_Bond_Acceptor_Count	5
2810830	Defined_Bond_Stereo_Count	0
11744644	Molecular_Weight	453.5
1993	TPSA	26.3
70480837	Exact_Mass	109.027611728
3197	Defined_Atom_Stereo_Count	0
178438	Tautomer_Count	1
90410375	Undefined_Atom_Stereo_Count	0
66986	Non-hydrogen_Atom_Count	16
65072	Molecular_Weight	189.21
10436103	Hydrogen_Bond_Acceptor_Count	16
12969456	Undefined_Atom_Stereo_Count	0
58531	XLogP3-AA	1.6
83966	Defined_Atom_Stereo_Count	0
65902	Molecular_Weight	512.6
53833568	Covalent_Unit_Count	1
17244	TPSA	17.1
135413504	Non-hydrogen_Atom_Count	23
9985199	XLogP3-AA	4.1
107908	Structure_Complexity	8
57461899	Rotatable_Bond_Count	4
849	Isotope_Atom_Count	0
53238011	Structure_Complexity	566
11414871	Structure_Complexity	349
13576	Undefined_Atom_Stereo_Count	0
7066	Non-hydrogen_Atom_Count	18
6574	Tautomer_Count	1
148557	TPSA	25.2
89200515	Covalent_Unit_Count	1
10672195	Exact_Mass	474.28038099
24955007	Isotope_Atom_Count	0
6400271	Total_Formal_Charge	0
17937355	TPSA	29.5
97656	Defined_Bond_Stereo_Count	0
156186164	Mono_Isotopic_Weight	113.084063974
91506	Mono_Isotopic_Weight	911.15746899
53475321	Structure_Complexity	645
21093905	Molecular_Weight	378.9
5489638	Undefined_Atom_Stereo_Count	0
2457	Undefined_Atom_Stereo_Count	0
12002	Mono_Isotopic_Weight	311.77849
11111	TPSA	148
24977371	Non-hydrogen_Atom_Count	8
317458	Isotope_Atom_Count	0
134167153	TPSA	231
19674	Non-hydrogen_Atom_Count	25
8834	Exact_Mass	212.177630004
276224	Covalent_Unit_Count	1
10017965	Defined_Bond_Stereo_Count	0
292429	Total_Formal_Charge	0
121732	Covalent_Unit_Count	1
71451670	Undefined_Atom_Stereo_Count	0
61362	TPSA	17.1
69064	Covalent_Unit_Count	1
124604783	Defined_Bond_Stereo_Count	2
4523766	Exact_Mass	466.111476
3521	Total_Formal_Charge	0
24461	Hydrogen_Bond_Donor_Count	0
75024	Isotope_Atom_Count	0
15221251	Non-hydrogen_Atom_Count	23
91027156	Non-hydrogen_Atom_Count	8
6537502	Structure_Complexity	2230
57449500	Mono_Isotopic_Weight	95.073499291
56666742	Structure_Complexity	742
163050679	Structure_Complexity	415
137699054	Structure_Complexity	107
13978	Hydrogen_Bond_Donor_Count	0
64111	Mono_Isotopic_Weight	409.19026037
641773	Undefined_Bond_Stereo_Count	0
73005	Covalent_Unit_Count	1
10154419	Total_Formal_Charge	1
23723057	Mono_Isotopic_Weight	274.9752131
62923	Undefined_Bond_Stereo_Count	0
16050552	XLogP3-AA	4.5
97815	Undefined_Bond_Stereo_Count	0
12708177	Hydrogen_Bond_Donor_Count	0
54584098	TPSA	46.5
136411312	Exact_Mass	146.048012819
3032915	Exact_Mass	212.10956770
53320444	Molecular_Weight	465.5
52654	Mono_Isotopic_Weight	252.220163521
60150330	Hydrogen_Bond_Acceptor_Count	2
6918107	Defined_Bond_Stereo_Count	0
52948843	Structure_Complexity	429
12086784	Structure_Complexity	1670
85328	Molecular_Weight	277.28
3011155	Undefined_Atom_Stereo_Count	0
53909396	Covalent_Unit_Count	1
57055230	Non-hydrogen_Atom_Count	7
56134	Molecular_Weight	170.30
13788048	Exact_Mass	390.0111167
23279022	Exact_Mass	102.115698455
65706	Hydrogen_Bond_Donor_Count	1
40466900	Hydrogen_Bond_Donor_Count	0
309266	Mono_Isotopic_Weight	96.093900383
46224572	TPSA	81.6
45874	Mono_Isotopic_Weight	247.157228913
11499204	Undefined_Bond_Stereo_Count	0
38627	Hydrogen_Bond_Donor_Count	1
9862272	Defined_Atom_Stereo_Count	0
53315818	Exact_Mass	243.08954328
10780	Hydrogen_Bond_Donor_Count	0
28118	Covalent_Unit_Count	2
26009888	Covalent_Unit_Count	1
42095	Hydrogen_Bond_Acceptor_Count	5
64371	XLogP3-AA	3.5
9828310	Rotatable_Bond_Count	19
7193	Undefined_Atom_Stereo_Count	0
91065505	Hydrogen_Bond_Acceptor_Count	1
3832	Exact_Mass	347.12296866
32031	Structure_Complexity	165
68791	Covalent_Unit_Count	1
54418364	TPSA	26.3
9835049	Defined_Bond_Stereo_Count	0
13538284	Mono_Isotopic_Weight	98.059246208
5360881	Total_Formal_Charge	0
3437	Undefined_Bond_Stereo_Count	0
164511668	Molecular_Weight	230.22
4369563	Structure_Complexity	342
6440180	Defined_Atom_Stereo_Count	4
6335951	Undefined_Atom_Stereo_Count	0
471360	Hydrogen_Bond_Donor_Count	0
3710788	Defined_Bond_Stereo_Count	0
25015693	Covalent_Unit_Count	1
7794	Mono_Isotopic_Weight	154.135765193
92386	TPSA	35.5
12580	Covalent_Unit_Count	1
10042942	Exact_Mass	341.16270821
21907926	Molecular_Weight	124.06
12278607	Structure_Complexity	90.2
52772	Rotatable_Bond_Count	6
23669592	Covalent_Unit_Count	2
635911	Isotope_Atom_Count	0
5288382	Structure_Complexity	1150
16211214	Molecular_Weight	381.4
12136363	Molecular_Weight	115.13
24906119	XLogP3-AA	2.8
587	Non-hydrogen_Atom_Count	13
139086359	Isotope_Atom_Count	0
11286230	Rotatable_Bond_Count	3
32698	Rotatable_Bond_Count	4
15276695	Hydrogen_Bond_Donor_Count	0
5702077	Covalent_Unit_Count	1
96917	Rotatable_Bond_Count	0
71624344	Defined_Atom_Stereo_Count	0
123178351	Hydrogen_Bond_Acceptor_Count	1
21638785	Isotope_Atom_Count	0
636374	Rotatable_Bond_Count	8
24848402	Non-hydrogen_Atom_Count	21
53317813	Rotatable_Bond_Count	6
134824657	Exact_Mass	529.21726296
24732	Mono_Isotopic_Weight	722.47576906
70863	Exact_Mass	311.1652068
6918474	Mono_Isotopic_Weight	215.0349209
7543	Defined_Atom_Stereo_Count	0
12754	Hydrogen_Bond_Donor_Count	0
3718	Total_Formal_Charge	0
22614138	Non-hydrogen_Atom_Count	8
2041326	Covalent_Unit_Count	1
11286	Covalent_Unit_Count	1
141886129	Isotope_Atom_Count	0
441405	Hydrogen_Bond_Donor_Count	2
25271631	Defined_Bond_Stereo_Count	0
642325	Defined_Atom_Stereo_Count	0
3962	Hydrogen_Bond_Donor_Count	1
327216	Exact_Mass	93.057849228
9549904	Hydrogen_Bond_Donor_Count	7
59907918	Non-hydrogen_Atom_Count	23
558889	Defined_Bond_Stereo_Count	0
129814152	Total_Formal_Charge	0
9465	Hydrogen_Bond_Acceptor_Count	4
26650	Mono_Isotopic_Weight	307.17835828
54692950	TPSA	194
10313102	Undefined_Bond_Stereo_Count	0
73416227	TPSA	76.5
40466996	Undefined_Bond_Stereo_Count	0
2724333	Molecular_Weight	176.12
6180	Rotatable_Bond_Count	5
20725561	Undefined_Atom_Stereo_Count	0
135450598	Molecular_Weight	537.21
126	Structure_Complexity	93.1
12659781	TPSA	12.5
54269666	Non-hydrogen_Atom_Count	6
30999	Defined_Atom_Stereo_Count	0
6619879	Covalent_Unit_Count	1
231010	Molecular_Weight	263.29
281660	Isotope_Atom_Count	0
22348659	Hydrogen_Bond_Donor_Count	1
16204530	Isotope_Atom_Count	0
102594	Hydrogen_Bond_Donor_Count	1
12895207	Total_Formal_Charge	0
108	Defined_Atom_Stereo_Count	0
1184	Hydrogen_Bond_Donor_Count	0
70609968	Total_Formal_Charge	0
1576	Total_Formal_Charge	0
102710	TPSA	70.5
5284515	Tautomer_Count	1
68681	Isotope_Atom_Count	0
129711560	Hydrogen_Bond_Donor_Count	2
12473807	Non-hydrogen_Atom_Count	7
71306478	Rotatable_Bond_Count	3
20087060	Defined_Bond_Stereo_Count	0
79450	Undefined_Atom_Stereo_Count	0
74266	Hydrogen_Bond_Acceptor_Count	6
46244454	XLogP3-AA	2.1
66986	Rotatable_Bond_Count	12
118797420	Molecular_Weight	186.11
11910	Structure_Complexity	133
401234	Exact_Mass	192.06472551
16224	Tautomer_Count	1
22004078	Total_Formal_Charge	0
267	Isotope_Atom_Count	0
16047027	Covalent_Unit_Count	2
16932	TPSA	0
12749	XLogP3	0.2
52105	Undefined_Atom_Stereo_Count	1
904858	Covalent_Unit_Count	1
54337282	Undefined_Bond_Stereo_Count	0
6926	TPSA	88.8
8168	TPSA	3.2
163488608	Structure_Complexity	113
80779	Hydrogen_Bond_Donor_Count	2
322148	Covalent_Unit_Count	1
20054849	Defined_Bond_Stereo_Count	2
681	Structure_Complexity	119
24785025	Defined_Atom_Stereo_Count	0
5606	Isotope_Atom_Count	0
123791702	Rotatable_Bond_Count	0
17305	Defined_Atom_Stereo_Count	0
18617909	Undefined_Bond_Stereo_Count	0
18596	Covalent_Unit_Count	2
643327	Total_Formal_Charge	0
6917976	Hydrogen_Bond_Acceptor_Count	22
3033943	Non-hydrogen_Atom_Count	32
450	Hydrogen_Bond_Donor_Count	2
57768583	Isotope_Atom_Count	0
156619056	Defined_Bond_Stereo_Count	0
154171248	Undefined_Atom_Stereo_Count	1
17531	Hydrogen_Bond_Acceptor_Count	7
53708930	Covalent_Unit_Count	1
6435	Tautomer_Count	15
165363453	Rotatable_Bond_Count	6
59680984	Undefined_Atom_Stereo_Count	2
80715	Structure_Complexity	262
128907	Exact_Mass	345.0226421
13543206	Non-hydrogen_Atom_Count	6
52021	Exact_Mass	409.2172423
22160831	TPSA	33
139600236	Rotatable_Bond_Count	2
70692773	XLogP3-AA	2.3
25058173	Isotope_Atom_Count	0
5355850	Non-hydrogen_Atom_Count	14
5288366	Non-hydrogen_Atom_Count	31
867	Structure_Complexity	83.1
68127236	Structure_Complexity	157
9848786	Total_Formal_Charge	0
138673	XLogP3-AA	1.5
44593340	Isotope_Atom_Count	0
137993	TPSA	0
65834	Non-hydrogen_Atom_Count	22
110835	Covalent_Unit_Count	2
18936580	Undefined_Atom_Stereo_Count	0
60059	Defined_Atom_Stereo_Count	0
73670	Undefined_Bond_Stereo_Count	0
243859	Mono_Isotopic_Weight	115.099714038
21841	XLogP3	3.2
166734	Total_Formal_Charge	0
21896007	Covalent_Unit_Count	1
71312102	TPSA	468
68746916	Mono_Isotopic_Weight	518.14577163
518760	Total_Formal_Charge	0
6437827	Undefined_Atom_Stereo_Count	0
25191018	Hydrogen_Bond_Donor_Count	2
17750962	Covalent_Unit_Count	2
6224	Exact_Mass	257.97283534
2779031	Hydrogen_Bond_Donor_Count	1
429342	Total_Formal_Charge	0
123979022	Undefined_Bond_Stereo_Count	0
47319	Mono_Isotopic_Weight	928.50852574
439756	Structure_Complexity	219
10960920	Undefined_Atom_Stereo_Count	0
25067547	Tautomer_Count	16
162904206	Total_Formal_Charge	0
5859	Molecular_Weight	325.3
155424	Mono_Isotopic_Weight	154.03784206
535805	Defined_Atom_Stereo_Count	0
21353681	Molecular_Weight	85.15
97860	Hydrogen_Bond_Acceptor_Count	3
24642	Non-hydrogen_Atom_Count	2
23260879	Molecular_Weight	106.09
66663660	Total_Formal_Charge	0
75530316	TPSA	92.2
14140995	Rotatable_Bond_Count	0
31635	Non-hydrogen_Atom_Count	18
129894295	Molecular_Weight	607.7
556487	Defined_Atom_Stereo_Count	0
173572	Structure_Complexity	1610
136716	Isotope_Atom_Count	0
11309477	Structure_Complexity	66.6
66726	Undefined_Bond_Stereo_Count	0
71322980	Hydrogen_Bond_Donor_Count	1
443311	Defined_Bond_Stereo_Count	0
54025111	Hydrogen_Bond_Acceptor_Count	2
12160	Tautomer_Count	1
135459219	Undefined_Bond_Stereo_Count	0
93005	TPSA	66
67528035	Structure_Complexity	52
6321	TPSA	64.8
53784322	Defined_Atom_Stereo_Count	0
14453670	TPSA	20.2
74038637	Hydrogen_Bond_Donor_Count	2
91661	Total_Formal_Charge	0
197806	Defined_Atom_Stereo_Count	0
70390	Mono_Isotopic_Weight	226.110613074
16216349	Total_Formal_Charge	0
20821286	XLogP3-AA	0.8
184644	Exact_Mass	856.39266112
22013147	Non-hydrogen_Atom_Count	8
53643899	Structure_Complexity	146
4140	Non-hydrogen_Atom_Count	25
21470208	Non-hydrogen_Atom_Count	23
67656161	Total_Formal_Charge	0
23649154	Covalent_Unit_Count	1
64937	Undefined_Bond_Stereo_Count	0
28692	Non-hydrogen_Atom_Count	21
6922967	Exact_Mass	166.123189134
73761	Covalent_Unit_Count	1
54690394	Non-hydrogen_Atom_Count	12
4866	Exact_Mass	1441.93259358
17424	Total_Formal_Charge	0
72582	Mono_Isotopic_Weight	224.20009678
5818	Hydrogen_Bond_Acceptor_Count	2
156963389	Hydrogen_Bond_Donor_Count	25
6572	Rotatable_Bond_Count	0
68602	Exact_Mass	200.131348519
35455	Exact_Mass	320.152477885
40839	Mono_Isotopic_Weight	753.41014911
7957	Isotope_Atom_Count	0
864969	Rotatable_Bond_Count	1
20200448	Molecular_Weight	112.13
20426877	Undefined_Atom_Stereo_Count	2
117569443	Hydrogen_Bond_Donor_Count	2
52949373	Hydrogen_Bond_Donor_Count	2
56777521	Total_Formal_Charge	0
450050	Undefined_Atom_Stereo_Count	0
429	Rotatable_Bond_Count	5
4585667	Tautomer_Count	3
7124	Mono_Isotopic_Weight	173.047678466
21584661	Hydrogen_Bond_Donor_Count	1
76959818	Undefined_Bond_Stereo_Count	0
86929	Total_Formal_Charge	0
60196311	Undefined_Bond_Stereo_Count	0
320263	Defined_Atom_Stereo_Count	0
76957235	Total_Formal_Charge	0
39503	Non-hydrogen_Atom_Count	40
86834	Isotope_Atom_Count	0
74995	Rotatable_Bond_Count	0
10415	TPSA	12
4781	Covalent_Unit_Count	1
11093674	Hydrogen_Bond_Donor_Count	0
4613731	Tautomer_Count	9
11510932	Molecular_Weight	461.4
527511	Hydrogen_Bond_Donor_Count	0
59961798	Covalent_Unit_Count	1
19884375	Rotatable_Bond_Count	3
68465774	Molecular_Weight	138.12
10130120	Defined_Bond_Stereo_Count	0
13653606	Hydrogen_Bond_Donor_Count	0
121493082	Molecular_Weight	6435
72947	Hydrogen_Bond_Acceptor_Count	9
91555191	Hydrogen_Bond_Acceptor_Count	0
3544692	Rotatable_Bond_Count	1
524236	Structure_Complexity	70.8
992406	Isotope_Atom_Count	0
74195	Undefined_Atom_Stereo_Count	0
445892	Molecular_Weight	165.23
253	Rotatable_Bond_Count	5
70691270	Exact_Mass	247.08579531
11105318	TPSA	26
75444	Undefined_Bond_Stereo_Count	0
2813282	Defined_Atom_Stereo_Count	0
86359	Molecular_Weight	320.0
53361968	Undefined_Bond_Stereo_Count	0
73707358	Isotope_Atom_Count	0
13347992	Exact_Mass	108.093900383
51397022	Exact_Mass	424.23620751
2724537	Defined_Bond_Stereo_Count	0
1470719	Mono_Isotopic_Weight	292.13241115
6401302	Undefined_Bond_Stereo_Count	0
101016656	Defined_Atom_Stereo_Count	0
66248	Hydrogen_Bond_Acceptor_Count	3
157010058	Defined_Bond_Stereo_Count	0
12529300	TPSA	26
56948400	Covalent_Unit_Count	2
45277565	Defined_Bond_Stereo_Count	0
285965	Total_Formal_Charge	0
54166403	Non-hydrogen_Atom_Count	8
53846420	Defined_Atom_Stereo_Count	6
13388	Tautomer_Count	1
126981343	Exact_Mass	114.104465066
124328800	Undefined_Atom_Stereo_Count	0
8	Undefined_Bond_Stereo_Count	0
119346	Tautomer_Count	2
21816393	Covalent_Unit_Count	1
21696748	Hydrogen_Bond_Donor_Count	1
83424	Rotatable_Bond_Count	4
71300299	Hydrogen_Bond_Donor_Count	3
632835	Mono_Isotopic_Weight	370.10525291
1017	Defined_Bond_Stereo_Count	0
11148955	Hydrogen_Bond_Donor_Count	0
31211	XLogP3	0.8
53631972	XLogP3-AA	0.3
203433	Total_Formal_Charge	0
140112497	Mono_Isotopic_Weight	116.083729621
313637	Exact_Mass	269.13889351
87176520	Exact_Mass	106.053098200
126997316	Defined_Bond_Stereo_Count	0
36431	Mono_Isotopic_Weight	421.2244530
201749	Hydrogen_Bond_Acceptor_Count	4
361739	Undefined_Bond_Stereo_Count	1
3996620	Covalent_Unit_Count	1
20495	Tautomer_Count	2
12472	Defined_Bond_Stereo_Count	0
10020475	Total_Formal_Charge	0
11964036	Structure_Complexity	1010
86388	Exact_Mass	335.15214353
91185	Isotope_Atom_Count	0
519305	Undefined_Bond_Stereo_Count	0
6344	Total_Formal_Charge	0
14338	Mono_Isotopic_Weight	184.100048391
60857	Molecular_Weight	287.36
44560771	Mono_Isotopic_Weight	362.14126175
63959	Undefined_Atom_Stereo_Count	0
23582412	Isotope_Atom_Count	0
70119	Molecular_Weight	187.03
65832	XLogP3	3.8
314282	Exact_Mass	268.146329876
11269429	Undefined_Atom_Stereo_Count	0
91418	Isotope_Atom_Count	0
16682740	Non-hydrogen_Atom_Count	17
14058558	Hydrogen_Bond_Acceptor_Count	3
3698	TPSA	68
12774755	Defined_Bond_Stereo_Count	0
277406	Isotope_Atom_Count	0
6438028	Non-hydrogen_Atom_Count	28
248898	Molecular_Weight	317.4
18980923	Isotope_Atom_Count	0
123626159	Mono_Isotopic_Weight	100.100048391
76155	Undefined_Atom_Stereo_Count	0
53907192	Hydrogen_Bond_Acceptor_Count	3
11062308	Undefined_Atom_Stereo_Count	0
15932798	Defined_Atom_Stereo_Count	0
21158559	Hydrogen_Bond_Donor_Count	2
6918091	TPSA	213
29321	Exact_Mass	443.13688739
21753162	Structure_Complexity	74.1
6292	Exact_Mass	250.110613074
71451733	Rotatable_Bond_Count	4
101142080	Undefined_Bond_Stereo_Count	0
11957515	Structure_Complexity	380
72790	Rotatable_Bond_Count	0
16116961	Non-hydrogen_Atom_Count	35
9862076	Hydrogen_Bond_Donor_Count	0
228490	Defined_Bond_Stereo_Count	0
10966200	Molecular_Weight	226.27
76997	Non-hydrogen_Atom_Count	15
31215	Total_Formal_Charge	0
1923	Exact_Mass	145.052763847
83403	Isotope_Atom_Count	0
285118	Hydrogen_Bond_Acceptor_Count	4
705	Tautomer_Count	48
8425	Hydrogen_Bond_Acceptor_Count	1
60654	Undefined_Atom_Stereo_Count	1
76973769	Defined_Atom_Stereo_Count	6
68602	Covalent_Unit_Count	1
23695850	Structure_Complexity	1000
62551	Defined_Atom_Stereo_Count	0
11403482	Exact_Mass	287.0349209
136808	Mono_Isotopic_Weight	182.109550447
2733984	Structure_Complexity	82.6
607248	Exact_Mass	196.0015103
56670458	Molecular_Weight	477.9
48807	XLogP3	2.6
156024996	Structure_Complexity	16700
85844257	TPSA	0
62760	Undefined_Atom_Stereo_Count	0
62852	Isotope_Atom_Count	0
186	Structure_Complexity	133
15715913	Defined_Atom_Stereo_Count	0
17825297	Total_Formal_Charge	0
19002911	XLogP3-AA	1.3
455658	Mono_Isotopic_Weight	651.146144
152260	Isotope_Atom_Count	0
68843	Hydrogen_Bond_Donor_Count	1
1531	Defined_Atom_Stereo_Count	0
26602	Covalent_Unit_Count	1
14437479	Undefined_Atom_Stereo_Count	0
536431	Undefined_Bond_Stereo_Count	0
9882837	Structure_Complexity	423
10159630	Covalent_Unit_Count	1
71932	Structure_Complexity	406
3038477	Exact_Mass	378.12494298
527855	TPSA	12.5
101743295	Structure_Complexity	441
90243427	Molecular_Weight	101.15
91362186	Undefined_Bond_Stereo_Count	0
78972	Rotatable_Bond_Count	0
44336199	Defined_Atom_Stereo_Count	0
16134395	Undefined_Atom_Stereo_Count	0
1942902	Total_Formal_Charge	0
121489349	Mono_Isotopic_Weight	2011.8379101
13302066	TPSA	40.5
10290812	Undefined_Atom_Stereo_Count	0
89479318	Undefined_Atom_Stereo_Count	1
5355732	Undefined_Atom_Stereo_Count	0
9460	Undefined_Bond_Stereo_Count	0
2673	Isotope_Atom_Count	0
4741	Hydrogen_Bond_Acceptor_Count	32
73759759	Undefined_Atom_Stereo_Count	4
84896	Non-hydrogen_Atom_Count	22
24986999	Non-hydrogen_Atom_Count	68
60149	Mono_Isotopic_Weight	440.1779173
67636	Undefined_Atom_Stereo_Count	0
3798	Mono_Isotopic_Weight	281.116426730
20136721	Structure_Complexity	108
107196	Defined_Bond_Stereo_Count	0
387179	Isotope_Atom_Count	0
91435393	Hydrogen_Bond_Donor_Count	2
10130337	Defined_Atom_Stereo_Count	1
694117	Rotatable_Bond_Count	1
165360154	Rotatable_Bond_Count	11
132472265	Total_Formal_Charge	0
16197725	Defined_Atom_Stereo_Count	60
5282443	Total_Formal_Charge	0
24214097	Undefined_Atom_Stereo_Count	0
520296	Mono_Isotopic_Weight	226.193280068
114845	Isotope_Atom_Count	0
16957	Rotatable_Bond_Count	18
20680013	Hydrogen_Bond_Donor_Count	0
44571150	Defined_Bond_Stereo_Count	0
53346493	Non-hydrogen_Atom_Count	23
24181320	Isotope_Atom_Count	0
16969	Mono_Isotopic_Weight	120.093900383
643209	Isotope_Atom_Count	0
14949967	Molecular_Weight	99.17
89264894	Defined_Atom_Stereo_Count	0
124905	Total_Formal_Charge	0
156071492	Structure_Complexity	131
9327	XLogP3-AA	1.8
9799979	Hydrogen_Bond_Donor_Count	1
123791702	Exact_Mass	98.073164938
139243813	Undefined_Bond_Stereo_Count	0
43940	Undefined_Atom_Stereo_Count	0
5547	Mono_Isotopic_Weight	478.34469533
86308705	Hydrogen_Bond_Donor_Count	0
533866	Isotope_Atom_Count	0
66275	Molecular_Weight	285.8
19842676	Undefined_Atom_Stereo_Count	1
126710233	Exact_Mass	100.100048391
36547	Total_Formal_Charge	0
118984450	Undefined_Atom_Stereo_Count	0
59973	Undefined_Bond_Stereo_Count	0
42510	Mono_Isotopic_Weight	293.189197746
67277	Undefined_Bond_Stereo_Count	0
3563590	Hydrogen_Bond_Donor_Count	0
10574415	Isotope_Atom_Count	0
74652199	Covalent_Unit_Count	1
94037	XLogP3-AA	5.2
15595	Tautomer_Count	1
15766	Rotatable_Bond_Count	1
558341	Molecular_Weight	84.12
2730	Undefined_Bond_Stereo_Count	0
428338	Rotatable_Bond_Count	2
54045	Structure_Complexity	554
3014138	Mono_Isotopic_Weight	123.068413911
14818447	TPSA	0
544356	Molecular_Weight	274.4
20665999	Undefined_Atom_Stereo_Count	0
16752772	Tautomer_Count	1
50537	Undefined_Atom_Stereo_Count	0
234237	Undefined_Bond_Stereo_Count	0
520362	TPSA	0
7131	Undefined_Bond_Stereo_Count	0
86184	Hydrogen_Bond_Donor_Count	1
102891	Rotatable_Bond_Count	7
158698	Rotatable_Bond_Count	5
87455238	Isotope_Atom_Count	0
73441	Tautomer_Count	10
137616	Defined_Bond_Stereo_Count	0
67683363	Isotope_Atom_Count	0
12255457	Defined_Bond_Stereo_Count	0
364836	Defined_Bond_Stereo_Count	0
548521	Isotope_Atom_Count	0
1957	Defined_Atom_Stereo_Count	0
10267191	Molecular_Weight	307.13
10493	TPSA	132
3385	Molecular_Weight	130.08
643786	Hydrogen_Bond_Donor_Count	0
166534	Defined_Atom_Stereo_Count	0
160583	Undefined_Atom_Stereo_Count	0
44456	Rotatable_Bond_Count	5
10909430	Exact_Mass	1421.74894144
230920	XLogP3	2.7
12277625	Undefined_Atom_Stereo_Count	1
7045798	Mono_Isotopic_Weight	131.094628657
214351	Isotope_Atom_Count	0
18952630	Defined_Bond_Stereo_Count	0
2864	Exact_Mass	584.33491849
143060	Rotatable_Bond_Count	1
123212370	TPSA	0
82418990	Mono_Isotopic_Weight	111.043261792
16090272	Rotatable_Bond_Count	4
547400	Total_Formal_Charge	0
2898877	Isotope_Atom_Count	0
10384666	Hydrogen_Bond_Acceptor_Count	4
12519677	Hydrogen_Bond_Acceptor_Count	1
71309	Molecular_Weight	523.6
175512	Undefined_Atom_Stereo_Count	1
127527	Exact_Mass	627.15296588
53667577	Molecular_Weight	113.16
693502	Isotope_Atom_Count	0
866607	Exact_Mass	327.10414797
92155	Structure_Complexity	730
31279	Hydrogen_Bond_Donor_Count	1
1056	Isotope_Atom_Count	0
12576852	Defined_Bond_Stereo_Count	0
32681	Defined_Bond_Stereo_Count	0
10214378	XLogP3-AA	0.4
68675439	Undefined_Atom_Stereo_Count	2
93057	Rotatable_Bond_Count	1
5283632	Covalent_Unit_Count	1
135532293	Molecular_Weight	190.09
18361854	Undefined_Bond_Stereo_Count	0
11672461	Undefined_Atom_Stereo_Count	0
69111	Total_Formal_Charge	0
10290	Molecular_Weight	315.5
118972006	Molecular_Weight	107.15
10167713	Structure_Complexity	1020
90915228	Non-hydrogen_Atom_Count	7
117045394	Total_Formal_Charge	0
57109318	Defined_Atom_Stereo_Count	0
3001	Molecular_Weight	372.5
45271369	Hydrogen_Bond_Acceptor_Count	3
136305445	Exact_Mass	114.00654193
23349319	Rotatable_Bond_Count	3
162651	Hydrogen_Bond_Donor_Count	0
53808	Structure_Complexity	300
22158518	Total_Formal_Charge	0
18324766	Undefined_Bond_Stereo_Count	0
10582773	Rotatable_Bond_Count	3
4136526	Exact_Mass	286.09701070
71839	Mono_Isotopic_Weight	263.972292
7785	Mono_Isotopic_Weight	240.208930132
96402	Exact_Mass	278.0629059
140650857	Covalent_Unit_Count	1
15018	TPSA	17.1
16133899	Defined_Bond_Stereo_Count	0
67615455	Defined_Bond_Stereo_Count	0
324379	Undefined_Bond_Stereo_Count	0
9908306	Non-hydrogen_Atom_Count	27
114831	Molecular_Weight	162.18
71766156	Molecular_Weight	439.9
147919783	Covalent_Unit_Count	1
38019	Exact_Mass	359.841466
10729608	Undefined_Atom_Stereo_Count	0
231934	Defined_Bond_Stereo_Count	1
175191	Hydrogen_Bond_Donor_Count	0
71397	Hydrogen_Bond_Acceptor_Count	1
23394557	Undefined_Atom_Stereo_Count	0
168971	Hydrogen_Bond_Acceptor_Count	16
83960	Defined_Bond_Stereo_Count	0
16211113	Structure_Complexity	112
94781	Tautomer_Count	1
6022	Covalent_Unit_Count	1
20849107	Undefined_Atom_Stereo_Count	0
10219763	Isotope_Atom_Count	6
165879	Rotatable_Bond_Count	2
61585	Hydrogen_Bond_Donor_Count	0
1283	Undefined_Atom_Stereo_Count	1
24848345	Undefined_Atom_Stereo_Count	2
49867832	TPSA	80.8
90258	Mono_Isotopic_Weight	264.15053379
22208	Structure_Complexity	87
683563	TPSA	58.1
67598	Mono_Isotopic_Weight	203.99826287
11853779	Hydrogen_Bond_Donor_Count	2
86742405	Total_Formal_Charge	0
30664	Total_Formal_Charge	0
69351	Defined_Atom_Stereo_Count	0
4595	Hydrogen_Bond_Donor_Count	0
15774	Mono_Isotopic_Weight	481.20108287
68304	Mono_Isotopic_Weight	325.1808568
6496	Hydrogen_Bond_Donor_Count	0
2723	Total_Formal_Charge	0
55083	Non-hydrogen_Atom_Count	10
25052023	Defined_Bond_Stereo_Count	0
75598	Isotope_Atom_Count	0
96302	Covalent_Unit_Count	1
43013	Covalent_Unit_Count	1
146367450	Non-hydrogen_Atom_Count	20
18343309	Rotatable_Bond_Count	2
22269415	Mono_Isotopic_Weight	99.068413911
23432895	Non-hydrogen_Atom_Count	8
22129037	Non-hydrogen_Atom_Count	8
5937	Mono_Isotopic_Weight	274.05448064
182420	Hydrogen_Bond_Acceptor_Count	1
66934489	Undefined_Atom_Stereo_Count	2
127832	Hydrogen_Bond_Acceptor_Count	6
19859	Defined_Bond_Stereo_Count	0
11116540	Molecular_Weight	173.33
45086609	Undefined_Bond_Stereo_Count	0
23647685	Defined_Bond_Stereo_Count	0
4302	Undefined_Bond_Stereo_Count	0
137938997	Covalent_Unit_Count	1
7504	Non-hydrogen_Atom_Count	8
37924	Non-hydrogen_Atom_Count	16
11229	Exact_Mass	100.125200510
3015914	Molecular_Weight	83.09
56436	Rotatable_Bond_Count	5
74152	Defined_Bond_Stereo_Count	0
14497	Isotope_Atom_Count	0
23663403	Undefined_Atom_Stereo_Count	0
14219	Non-hydrogen_Atom_Count	10
86806	Rotatable_Bond_Count	6
70697507	Total_Formal_Charge	0
151171	Hydrogen_Bond_Acceptor_Count	3
175468	Tautomer_Count	2
10866664	Defined_Bond_Stereo_Count	0
57040555	Covalent_Unit_Count	1
87624	Defined_Atom_Stereo_Count	0
16158103	Undefined_Bond_Stereo_Count	0
3035405	Undefined_Atom_Stereo_Count	3
5280492	Molecular_Weight	336.5
45120354	Defined_Bond_Stereo_Count	0
87485	Non-hydrogen_Atom_Count	13
97497	Mono_Isotopic_Weight	96.068748264
10220511	Defined_Atom_Stereo_Count	0
13348005	Covalent_Unit_Count	1
14569	XLogP3-AA	3.8
161830	Rotatable_Bond_Count	1
524667	Structure_Complexity	62.4
11953887	Tautomer_Count	80
5413034	XLogP3-AA	2.4
64107	TPSA	118
141643	Defined_Atom_Stereo_Count	0
132837	Tautomer_Count	2
492	Undefined_Atom_Stereo_Count	0
9907842	Tautomer_Count	1
10844548	Isotope_Atom_Count	0
47328	Total_Formal_Charge	0
4369359	Exact_Mass	407.11807909
117763868	Mono_Isotopic_Weight	419.34787550
12976	Rotatable_Bond_Count	1
2734244	Non-hydrogen_Atom_Count	16
138077	Covalent_Unit_Count	1
102426	Non-hydrogen_Atom_Count	20
101248703	Hydrogen_Bond_Acceptor_Count	7
13507	Defined_Atom_Stereo_Count	0
5464253	Rotatable_Bond_Count	7
12271349	TPSA	12.5
135565932	Mono_Isotopic_Weight	560.11995504
135459645	Undefined_Bond_Stereo_Count	2
7939	TPSA	51.8
90488771	Structure_Complexity	755
21651128	Total_Formal_Charge	0
117569444	Hydrogen_Bond_Acceptor_Count	2
21805682	Hydrogen_Bond_Acceptor_Count	2
740	Non-hydrogen_Atom_Count	16
344853	Hydrogen_Bond_Acceptor_Count	5
543879	Undefined_Bond_Stereo_Count	0
11853779	Structure_Complexity	540
87280032	Hydrogen_Bond_Acceptor_Count	5
20056755	Exact_Mass	342.11621151
56668950	Non-hydrogen_Atom_Count	38
8191	Hydrogen_Bond_Donor_Count	0
5748152	Molecular_Weight	324.4
19786354	Hydrogen_Bond_Donor_Count	0
106684	Tautomer_Count	1
131704316	Hydrogen_Bond_Acceptor_Count	10
83191	Structure_Complexity	42.2
102452877	Molecular_Weight	106.16
11510	Hydrogen_Bond_Acceptor_Count	3
5281404	Defined_Atom_Stereo_Count	0
9837419	Molecular_Weight	223.58
11636326	TPSA	64.8
68198	Structure_Complexity	429
54736666	Hydrogen_Bond_Acceptor_Count	18
71430868	Structure_Complexity	685
65576188	Undefined_Bond_Stereo_Count	0
4090	Defined_Atom_Stereo_Count	0
13413802	Undefined_Atom_Stereo_Count	1
451239	TPSA	0
1548886	Non-hydrogen_Atom_Count	25
102175	Undefined_Atom_Stereo_Count	0
5464253	Hydrogen_Bond_Acceptor_Count	10
53174	Exact_Mass	297.07832714
7242	Undefined_Bond_Stereo_Count	0
22833307	Hydrogen_Bond_Donor_Count	0
296464	Covalent_Unit_Count	1
5326971	Undefined_Bond_Stereo_Count	0
34831	Non-hydrogen_Atom_Count	39
9868950	Hydrogen_Bond_Acceptor_Count	2
155882889	Undefined_Bond_Stereo_Count	0
34769	Total_Formal_Charge	0
649153	Molecular_Weight	455.5
62835	Molecular_Weight	128.13
9548659	Undefined_Atom_Stereo_Count	0
954	Defined_Bond_Stereo_Count	0
55280130	Structure_Complexity	84.1
9845622	Hydrogen_Bond_Donor_Count	4
6603822	Undefined_Atom_Stereo_Count	0
70691405	Tautomer_Count	9
14008744	Hydrogen_Bond_Acceptor_Count	2
74038637	Exact_Mass	100.100048391
6451284	Defined_Bond_Stereo_Count	0
147633433	Hydrogen_Bond_Acceptor_Count	4
54580844	Total_Formal_Charge	0
12870232	Defined_Bond_Stereo_Count	0
72959169	Rotatable_Bond_Count	9
341876	TPSA	41.6
35801	TPSA	0
129600763	Defined_Atom_Stereo_Count	10
62960	Hydrogen_Bond_Donor_Count	3
164946845	Hydrogen_Bond_Acceptor_Count	19
44565796	Mono_Isotopic_Weight	290.18550935
122174048	Defined_Bond_Stereo_Count	0
301567	Mono_Isotopic_Weight	100.088815002
78373	Tautomer_Count	1
98651	Undefined_Atom_Stereo_Count	0
34051	Mono_Isotopic_Weight	297.11873540
27582	Rotatable_Bond_Count	0
65482	Undefined_Bond_Stereo_Count	0
10341154	Rotatable_Bond_Count	4
142959	Molecular_Weight	116.07
12848392	Defined_Bond_Stereo_Count	0
69949	TPSA	34.1
637997	Structure_Complexity	95.7
12741	Isotope_Atom_Count	0
129016768	Structure_Complexity	88.5
441414	Mono_Isotopic_Weight	317.11106656
66776828	Undefined_Bond_Stereo_Count	0
23433606	Defined_Atom_Stereo_Count	0
50980	Hydrogen_Bond_Acceptor_Count	7
10585104	Undefined_Atom_Stereo_Count	0
12407	Rotatable_Bond_Count	23
9852188	Non-hydrogen_Atom_Count	46
9523	Structure_Complexity	46.5
222155	XLogP3	0.8
7673	Mono_Isotopic_Weight	135.01427034
12771232	Hydrogen_Bond_Acceptor_Count	2
25171662	TPSA	117
522105	Hydrogen_Bond_Acceptor_Count	1
261491	Undefined_Atom_Stereo_Count	0
12871376	Mono_Isotopic_Weight	111.068413911
11461044	Structure_Complexity	178
111804	Undefined_Bond_Stereo_Count	0
410916	Total_Formal_Charge	0
637931	Tautomer_Count	1
2229	Tautomer_Count	1
100999	XLogP3-AA	0
525	Defined_Atom_Stereo_Count	0
81818	Tautomer_Count	1
11961	Structure_Complexity	192
51894	Non-hydrogen_Atom_Count	15
57519510	Defined_Bond_Stereo_Count	0
19849296	Covalent_Unit_Count	1
60155184	Undefined_Atom_Stereo_Count	0
23238195	Mono_Isotopic_Weight	255.13448209
11572	Undefined_Bond_Stereo_Count	0
2733928	Tautomer_Count	1
558502	Non-hydrogen_Atom_Count	8
6912	Molecular_Weight	152.15
20323	TPSA	122
5462471	Covalent_Unit_Count	1
71597331	Non-hydrogen_Atom_Count	36
12768628	Molecular_Weight	95.14
1099	TPSA	82.4
501	Total_Formal_Charge	0
101602	Isotope_Atom_Count	0
5342	Undefined_Bond_Stereo_Count	0
2817255	Mono_Isotopic_Weight	318.09508215
137616	Mono_Isotopic_Weight	57.070425287
5283387	Isotope_Atom_Count	0
9776	Defined_Atom_Stereo_Count	0
22878123	Structure_Complexity	250
1549237	Covalent_Unit_Count	1
61028	Defined_Bond_Stereo_Count	0
59682	XLogP3	2.3
145986	Hydrogen_Bond_Donor_Count	3
11054313	XLogP3-AA	3
60478	Defined_Atom_Stereo_Count	0
16072219	Defined_Bond_Stereo_Count	0
34367	Hydrogen_Bond_Acceptor_Count	2
13923	Undefined_Bond_Stereo_Count	0
154058	Hydrogen_Bond_Donor_Count	1
7847	Molecular_Weight	56.06
77757	Isotope_Atom_Count	0
136445	Defined_Bond_Stereo_Count	0
12266	TPSA	13.1
5491295	Hydrogen_Bond_Donor_Count	3
129913833	Total_Formal_Charge	0
75349	TPSA	76
544588	Structure_Complexity	96.4
65576188	Hydrogen_Bond_Acceptor_Count	2
4688	Undefined_Bond_Stereo_Count	0
123072	Non-hydrogen_Atom_Count	18
70685868	Hydrogen_Bond_Acceptor_Count	6
91601	Rotatable_Bond_Count	12
132777208	Mono_Isotopic_Weight	342.11621151
54111851	Rotatable_Bond_Count	1
44443935	Isotope_Atom_Count	0
123803633	Hydrogen_Bond_Donor_Count	8
11457	Tautomer_Count	1
4180	Structure_Complexity	236
129815925	Exact_Mass	96.068748264
6971	Hydrogen_Bond_Donor_Count	2
22833567	Defined_Atom_Stereo_Count	7
32439	Undefined_Atom_Stereo_Count	0
13246222	Total_Formal_Charge	0
11953895	Structure_Complexity	119
15950514	Structure_Complexity	183
8961	Hydrogen_Bond_Donor_Count	1
10461263	Undefined_Atom_Stereo_Count	1
68414798	Covalent_Unit_Count	3
11957654	Structure_Complexity	518
2734249	Isotope_Atom_Count	0
4103	Hydrogen_Bond_Acceptor_Count	7
2898877	Hydrogen_Bond_Donor_Count	2
11590255	Rotatable_Bond_Count	7
2724159	Covalent_Unit_Count	1
123678021	Defined_Atom_Stereo_Count	0
86014	Exact_Mass	96.093900383
1144	Molecular_Weight	422.28
8083	Isotope_Atom_Count	0
71898	Covalent_Unit_Count	2
5074	Undefined_Atom_Stereo_Count	0
632	Isotope_Atom_Count	0
91933514	Structure_Complexity	3700
53323739	XLogP3-AA	2.4
18312	Hydrogen_Bond_Acceptor_Count	0
7499	Exact_Mass	108.093900383
398658	Non-hydrogen_Atom_Count	23
23664294	Undefined_Atom_Stereo_Count	0
99940264	Covalent_Unit_Count	1
5319022	Defined_Bond_Stereo_Count	1
6918178	Undefined_Atom_Stereo_Count	0
62669681	XLogP3-AA	1.6
57993933	Rotatable_Bond_Count	1
551493	Total_Formal_Charge	0
86138	XLogP3	3.2
246983	Undefined_Bond_Stereo_Count	0
54526114	Structure_Complexity	92.7
21470	Defined_Atom_Stereo_Count	2
252139	Molecular_Weight	262.30
18760539	Undefined_Bond_Stereo_Count	0
89040398	Covalent_Unit_Count	1
163900	Mono_Isotopic_Weight	132.078644241
53317813	TPSA	80.3
54338696	Mono_Isotopic_Weight	90.0469501914
42884	Exact_Mass	370.1811912
97391	TPSA	0
73675	Isotope_Atom_Count	0
13138141	Covalent_Unit_Count	2
8940	Hydrogen_Bond_Donor_Count	1
470375	Molecular_Weight	428.4
56672296	TPSA	89.4
93078	Defined_Atom_Stereo_Count	2
6868	Exact_Mass	239.02522894
283992	Mono_Isotopic_Weight	118.062994177
62493	TPSA	17.1
7537	Isotope_Atom_Count	0
15546	Non-hydrogen_Atom_Count	15
10325129	Undefined_Atom_Stereo_Count	1
59792626	Molecular_Weight	54.09
25015412	XLogP3-AA	2.4
129867899	Rotatable_Bond_Count	4
166918	Hydrogen_Bond_Donor_Count	6
61674	Defined_Bond_Stereo_Count	0
53983207	Isotope_Atom_Count	0
57391720	Structure_Complexity	1150
537906	Structure_Complexity	79.8
54686904	TPSA	206
107327	Exact_Mass	226.229665576
76485	Defined_Bond_Stereo_Count	0
71464121	Undefined_Atom_Stereo_Count	0
11412356	Total_Formal_Charge	0
23980	Hydrogen_Bond_Acceptor_Count	0
3453	Exact_Mass	278.224580195
135565884	Undefined_Bond_Stereo_Count	0
125347	Mono_Isotopic_Weight	372.15460314
12870232	TPSA	20.2
70702100	Mono_Isotopic_Weight	362.07796989
60196297	TPSA	86.8
12836140	Hydrogen_Bond_Donor_Count	0
10866248	Mono_Isotopic_Weight	18.0438536195
185914	Undefined_Bond_Stereo_Count	0
2040	Defined_Atom_Stereo_Count	0
65926	Molecular_Weight	204.27
571982	Hydrogen_Bond_Acceptor_Count	18
181287	Isotope_Atom_Count	0
12213229	Undefined_Atom_Stereo_Count	0
3598879	Hydrogen_Bond_Donor_Count	1
56841124	Total_Formal_Charge	0
13561474	Hydrogen_Bond_Donor_Count	1
135905454	Hydrogen_Bond_Acceptor_Count	5
91139914	Undefined_Atom_Stereo_Count	2
147336409	Covalent_Unit_Count	1
596336	Covalent_Unit_Count	1
39198	Tautomer_Count	2
87870897	Isotope_Atom_Count	0
2116	Non-hydrogen_Atom_Count	31
15559221	XLogP3-AA	2.7
61585	Molecular_Weight	244.37
14078850	Covalent_Unit_Count	1
1153	Structure_Complexity	176
129671761	Undefined_Atom_Stereo_Count	2
447518	Exact_Mass	579.21343743
20280	Rotatable_Bond_Count	15
30619	Structure_Complexity	128
13268340	Non-hydrogen_Atom_Count	8
53385491	Defined_Bond_Stereo_Count	3
11809740	Hydrogen_Bond_Donor_Count	0
87248	Covalent_Unit_Count	1
5488547	Total_Formal_Charge	0
74990	Covalent_Unit_Count	2
6321340	TPSA	186
46470	Exact_Mass	325.1808568
94317	Defined_Bond_Stereo_Count	0
446727	Structure_Complexity	450
110821	Hydrogen_Bond_Acceptor_Count	1
22491623	Molecular_Weight	95.10
118027	Mono_Isotopic_Weight	140.083729621
129229305	TPSA	9.2
97736	Hydrogen_Bond_Acceptor_Count	2
119097554	Total_Formal_Charge	0
21441185	Defined_Atom_Stereo_Count	0
38103	Hydrogen_Bond_Acceptor_Count	6
7524	Undefined_Bond_Stereo_Count	0
7673	Undefined_Bond_Stereo_Count	0
159326	Structure_Complexity	516
54193461	Exact_Mass	85.052763847
71827	Non-hydrogen_Atom_Count	18
5464924	Exact_Mass	564.03287581
6369	Hydrogen_Bond_Donor_Count	0
120096	Isotope_Atom_Count	0
124013	Hydrogen_Bond_Acceptor_Count	10
4991	TPSA	33.4
13416	Non-hydrogen_Atom_Count	12
13250	Total_Formal_Charge	0
456222	Hydrogen_Bond_Acceptor_Count	4
132327702	Undefined_Atom_Stereo_Count	1
71752170	Exact_Mass	306.16588839
220212	Non-hydrogen_Atom_Count	8
466959	Exact_Mass	588.26177080
38012	XLogP3	6.5
12298	Molecular_Weight	101.15
6369389	Undefined_Atom_Stereo_Count	0
6437387	Isotope_Atom_Count	0
68992903	Undefined_Atom_Stereo_Count	0
5281515	Exact_Mass	204.187800766
53319416	TPSA	78.9
54613184	Hydrogen_Bond_Acceptor_Count	10
94297	Rotatable_Bond_Count	2
96301	Defined_Bond_Stereo_Count	0
146680	Exact_Mass	374.07903816
129812304	Exact_Mass	125.95870674
778602	Total_Formal_Charge	0
44268	Structure_Complexity	378
15201044	Rotatable_Bond_Count	0
83818	Structure_Complexity	359
665263	Undefined_Atom_Stereo_Count	1
68555	Non-hydrogen_Atom_Count	22
91468768	Molecular_Weight	108.18
131400288	Structure_Complexity	131
162678	Undefined_Bond_Stereo_Count	0
5709222	Covalent_Unit_Count	1
46552	Exact_Mass	257.08004122
25137911	TPSA	20.1
26631	Covalent_Unit_Count	1
12899069	TPSA	118
23690943	Hydrogen_Bond_Acceptor_Count	19
6618	Exact_Mass	543.75298
53440207	Hydrogen_Bond_Acceptor_Count	1
5291	Exact_Mass	493.25900864
6427	Hydrogen_Bond_Acceptor_Count	2
3254	Undefined_Bond_Stereo_Count	0
6989253	Molecular_Weight	117.15
39212	Tautomer_Count	4
46588	Covalent_Unit_Count	2
22858512	Isotope_Atom_Count	0
123357638	Hydrogen_Bond_Acceptor_Count	2
1708	XLogP3-AA	1.6
11455317	TPSA	85.1
57395974	Undefined_Bond_Stereo_Count	0
87863	Non-hydrogen_Atom_Count	23
328561	Undefined_Bond_Stereo_Count	0
24257	Hydrogen_Bond_Donor_Count	0
58512812	Total_Formal_Charge	0
11407412	Hydrogen_Bond_Acceptor_Count	4
20313	Isotope_Atom_Count	0
616236	Hydrogen_Bond_Acceptor_Count	3
21718	Hydrogen_Bond_Acceptor_Count	8
5353439	Hydrogen_Bond_Acceptor_Count	7
69064	XLogP3	2.7
136832	XLogP3	2.6
9929430	Defined_Bond_Stereo_Count	0
40467085	Mono_Isotopic_Weight	489.06509963
86671471	Hydrogen_Bond_Donor_Count	2
60196287	Defined_Bond_Stereo_Count	0
85728	Hydrogen_Bond_Donor_Count	1
119096545	Rotatable_Bond_Count	0
74517	Defined_Atom_Stereo_Count	0
16038399	Total_Formal_Charge	0
14130	Hydrogen_Bond_Acceptor_Count	3
3034023	Structure_Complexity	356
6410758	Molecular_Weight	462.5
89572	Molecular_Weight	214.64
530422	Non-hydrogen_Atom_Count	10
44225660	Molecular_Weight	535.8
8497	Hydrogen_Bond_Donor_Count	1
11599	Hydrogen_Bond_Donor_Count	0
92703	Total_Formal_Charge	0
3614	Molecular_Weight	125.17
316	Defined_Atom_Stereo_Count	0
60025	Undefined_Atom_Stereo_Count	0
5356544	Total_Formal_Charge	0
10070040	XLogP3	4.2
39764	Tautomer_Count	1
20550156	Structure_Complexity	142
13487238	Mono_Isotopic_Weight	112.03851076
7358	Rotatable_Bond_Count	3
12658877	Structure_Complexity	39.1
3636092	Structure_Complexity	205
61633	Hydrogen_Bond_Donor_Count	0
54610154	Defined_Atom_Stereo_Count	5
8165	Covalent_Unit_Count	1
131238	Exact_Mass	284.0483185
83596	Covalent_Unit_Count	1
5289535	Defined_Bond_Stereo_Count	0
52038	Molecular_Weight	225.31
9776841	Undefined_Atom_Stereo_Count	4
35802	Non-hydrogen_Atom_Count	23
581676	Covalent_Unit_Count	1
26868	Molecular_Weight	535.5
10850	Undefined_Atom_Stereo_Count	0
23677992	Structure_Complexity	932
3859614	Undefined_Atom_Stereo_Count	0
5327006	Defined_Atom_Stereo_Count	1
6436117	Undefined_Atom_Stereo_Count	0
56841013	Mono_Isotopic_Weight	548.03898
15356533	Covalent_Unit_Count	1
71402	Defined_Atom_Stereo_Count	3
7119	Defined_Atom_Stereo_Count	0
54676840	Undefined_Bond_Stereo_Count	0
15024671	Rotatable_Bond_Count	0
14646171	Defined_Bond_Stereo_Count	0
88239551	Structure_Complexity	124
566849	Structure_Complexity	90.9
244030	Hydrogen_Bond_Donor_Count	0
9548720	Covalent_Unit_Count	1
6604858	Defined_Bond_Stereo_Count	0
1501	Exact_Mass	528.28488903
10909499	Hydrogen_Bond_Acceptor_Count	2
12513438	Defined_Atom_Stereo_Count	0
9886249	Mono_Isotopic_Weight	382.13536548
160154	Non-hydrogen_Atom_Count	24
53766125	Molecular_Weight	117.10
54727975	Rotatable_Bond_Count	4
98051220	Isotope_Atom_Count	0
688691	Rotatable_Bond_Count	1
48104	Undefined_Atom_Stereo_Count	4
62956	Defined_Bond_Stereo_Count	0
3097	Rotatable_Bond_Count	3
2794133	Covalent_Unit_Count	1
12264928	Defined_Bond_Stereo_Count	0
6442439	Undefined_Atom_Stereo_Count	0
13895197	Covalent_Unit_Count	1
94462	Hydrogen_Bond_Acceptor_Count	4
92753	Undefined_Bond_Stereo_Count	0
10855394	Hydrogen_Bond_Acceptor_Count	3
22851718	Rotatable_Bond_Count	9
141445129	Total_Formal_Charge	0
18730043	Non-hydrogen_Atom_Count	7
24866358	Structure_Complexity	635
87217	Total_Formal_Charge	0
12078	Undefined_Atom_Stereo_Count	0
92888	Total_Formal_Charge	0
22385728	Undefined_Bond_Stereo_Count	0
69215	Isotope_Atom_Count	0
3371	Hydrogen_Bond_Donor_Count	2
75534859	Covalent_Unit_Count	1
25181471	Total_Formal_Charge	0
471360	Mono_Isotopic_Weight	185.10519334
91423682	Undefined_Bond_Stereo_Count	0
104553443	Undefined_Atom_Stereo_Count	1
88705879	Rotatable_Bond_Count	4
54687131	Mono_Isotopic_Weight	602.25879342
6509808	TPSA	135
636345	Hydrogen_Bond_Acceptor_Count	26
94684	Mono_Isotopic_Weight	238.1124429
2724039	Isotope_Atom_Count	0
11116575	Total_Formal_Charge	0
13850985	Defined_Bond_Stereo_Count	0
31100	Undefined_Bond_Stereo_Count	0
57856017	Mono_Isotopic_Weight	111.068413911
46231497	Exact_Mass	386.18550935
12096001	Structure_Complexity	688
704	Undefined_Atom_Stereo_Count	7
5487	Tautomer_Count	3
441314	Total_Formal_Charge	0
48276	TPSA	30.7
8633	Tautomer_Count	4
23665411	Defined_Atom_Stereo_Count	0
9601349	Total_Formal_Charge	0
131885396	Total_Formal_Charge	0
123190012	TPSA	0
6918584	TPSA	995
73662	Undefined_Atom_Stereo_Count	0
22	Exact_Mass	132.04225873
2775941	XLogP3-AA	9.4
69627204	Hydrogen_Bond_Donor_Count	0
14866361	Defined_Atom_Stereo_Count	0
688586	Exact_Mass	244.03472857
12617365	Structure_Complexity	643
10286159	Exact_Mass	282.125594432
137530132	Exact_Mass	531.17327
2723755	Defined_Atom_Stereo_Count	0
23723027	Undefined_Atom_Stereo_Count	0
12180	Covalent_Unit_Count	1
41990	Tautomer_Count	4
114935	Undefined_Atom_Stereo_Count	0
40341	Molecular_Weight	305.07
11746	TPSA	37.3
9802673	Hydrogen_Bond_Donor_Count	6
154269	Defined_Bond_Stereo_Count	0
151897	XLogP3	1.2
13168503	Exact_Mass	123.99254563
1470718	Mono_Isotopic_Weight	315.08193293
65963	Defined_Bond_Stereo_Count	0
11469055	Defined_Atom_Stereo_Count	0
56842207	Defined_Bond_Stereo_Count	0
221881	TPSA	18.5
205970	TPSA	42.8
50515	TPSA	66.6
13006129	Defined_Bond_Stereo_Count	0
54562	TPSA	31.9
165151	Molecular_Weight	306.21
14798	Defined_Bond_Stereo_Count	0
64350	Isotope_Atom_Count	0
155893624	Isotope_Atom_Count	0
75091	Defined_Bond_Stereo_Count	0
10239891	Covalent_Unit_Count	1
78933	Non-hydrogen_Atom_Count	25
13005	Mono_Isotopic_Weight	112.052429494
13172504	Non-hydrogen_Atom_Count	8
3538	TPSA	69.2
5357258	TPSA	0
164633	Defined_Atom_Stereo_Count	2
12642439	Defined_Bond_Stereo_Count	0
7726	Undefined_Atom_Stereo_Count	0
75090	Non-hydrogen_Atom_Count	22
4205037	Mono_Isotopic_Weight	293.17865558
3203	Hydrogen_Bond_Donor_Count	1
10090750	Non-hydrogen_Atom_Count	28
68736	Non-hydrogen_Atom_Count	14
122361528	Hydrogen_Bond_Acceptor_Count	17
7372	Structure_Complexity	104
19031167	Exact_Mass	101.120449483
18364059	Defined_Bond_Stereo_Count	0
42602351	Rotatable_Bond_Count	6
439168	Hydrogen_Bond_Acceptor_Count	6
6476333	Covalent_Unit_Count	1
1498	Undefined_Atom_Stereo_Count	0
11196935	Non-hydrogen_Atom_Count	21
46907787	Total_Formal_Charge	0
52943718	XLogP3-AA	3.6
101171	Mono_Isotopic_Weight	114.068079557
130956	Defined_Bond_Stereo_Count	0
44629454	Hydrogen_Bond_Acceptor_Count	7
13222108	Structure_Complexity	108
56598471	Molecular_Weight	406.4
9865961	Covalent_Unit_Count	1
5462350	Hydrogen_Bond_Acceptor_Count	5
98648	Exact_Mass	181.99724055
24766296	Mono_Isotopic_Weight	686.30507491
2762894	Structure_Complexity	72.9
6443795	TPSA	230
66692781	XLogP3-AA	5.6
40691	Tautomer_Count	1
7751	Mono_Isotopic_Weight	122.0134572
71612	Undefined_Atom_Stereo_Count	1
11193251	Defined_Atom_Stereo_Count	0
19748724	Defined_Atom_Stereo_Count	0
66684	Molecular_Weight	339.2
61671	Mono_Isotopic_Weight	183.892924
57992058	Defined_Bond_Stereo_Count	0
18386435	Hydrogen_Bond_Acceptor_Count	4
9265	TPSA	0
12813	Structure_Complexity	143
3803614	Defined_Bond_Stereo_Count	0
11591222	Hydrogen_Bond_Acceptor_Count	8
70632	Exact_Mass	150.05416083
123628273	XLogP3-AA	1.1
32708	Defined_Atom_Stereo_Count	0
524645	Molecular_Weight	98.19
469717	Hydrogen_Bond_Acceptor_Count	4
260708	Defined_Atom_Stereo_Count	0
444097	Non-hydrogen_Atom_Count	43
69912	Covalent_Unit_Count	1
71776101	Structure_Complexity	270
21889252	Mono_Isotopic_Weight	112.016043985
21130160	Hydrogen_Bond_Donor_Count	0
34789	Exact_Mass	239.1076919
171829	Defined_Atom_Stereo_Count	0
54740	Total_Formal_Charge	0
2734162	Defined_Bond_Stereo_Count	0
5459765	Rotatable_Bond_Count	0
139465606	Undefined_Atom_Stereo_Count	0
56672413	Covalent_Unit_Count	1
3148	Isotope_Atom_Count	0
41530	Molecular_Weight	231.72
5289289	TPSA	32.3
46244453	Molecular_Weight	412.5
11240435	Total_Formal_Charge	0
54203587	Hydrogen_Bond_Donor_Count	0
10324367	Covalent_Unit_Count	1
4659392	Rotatable_Bond_Count	8
2440	Isotope_Atom_Count	0
31426	Exact_Mass	267.05315777
42802	Defined_Atom_Stereo_Count	0
118654527	Total_Formal_Charge	0
386	Molecular_Weight	1062.1
136585	Hydrogen_Bond_Acceptor_Count	0
154196048	Total_Formal_Charge	0
6708701	XLogP3-AA	0.6
15174590	Undefined_Bond_Stereo_Count	0
58071	XLogP3-AA	2.7
574489	Defined_Atom_Stereo_Count	0
132850502	Hydrogen_Bond_Donor_Count	2
3084447	Undefined_Atom_Stereo_Count	0
21946307	Defined_Bond_Stereo_Count	0
544092	Non-hydrogen_Atom_Count	8
171257	Hydrogen_Bond_Donor_Count	3
3047046	Mono_Isotopic_Weight	1438.56054879
28649	Non-hydrogen_Atom_Count	15
76960025	TPSA	136
8342	Covalent_Unit_Count	1
172296	Mono_Isotopic_Weight	408.22130633
448055	Undefined_Atom_Stereo_Count	0
10131132	Mono_Isotopic_Weight	247.0611356
76223836	Hydrogen_Bond_Acceptor_Count	2
105427064	Molecular_Weight	116.11
941	Molecular_Weight	336.21
15309593	Defined_Atom_Stereo_Count	0
68850055	Undefined_Bond_Stereo_Count	0
8711	Molecular_Weight	111.10
14809953	Hydrogen_Bond_Acceptor_Count	1
129491	Non-hydrogen_Atom_Count	36
65483	Total_Formal_Charge	0
5815211	Covalent_Unit_Count	1
5311283	TPSA	49.8
6699	XLogP3-AA	5.9
44235958	Non-hydrogen_Atom_Count	55
19667	Covalent_Unit_Count	1
28030	Non-hydrogen_Atom_Count	8
12539503	Rotatable_Bond_Count	3
59154494	Hydrogen_Bond_Acceptor_Count	2
6893	Molecular_Weight	121.18
6436140	Mono_Isotopic_Weight	516.04095583
64778	Undefined_Atom_Stereo_Count	0
130904	Undefined_Atom_Stereo_Count	0
41088	Total_Formal_Charge	0
87112	Exact_Mass	174.031694049
12910381	Covalent_Unit_Count	1
103023	Hydrogen_Bond_Acceptor_Count	5
133741	Undefined_Bond_Stereo_Count	0
110862	Molecular_Weight	115.17
446210	Exact_Mass	493.99916019
25130088	Undefined_Atom_Stereo_Count	0
21364	Hydrogen_Bond_Donor_Count	0
136101	Structure_Complexity	76.2
10080333	Total_Formal_Charge	0
12048	Rotatable_Bond_Count	3
446541	Defined_Atom_Stereo_Count	0
54767229	Structure_Complexity	541
130881	XLogP3-AA	3.8
23663407	Tautomer_Count	3
25006687	Molecular_Weight	393.5
54739048	Rotatable_Bond_Count	3
25058411	Defined_Atom_Stereo_Count	6
10197619	Rotatable_Bond_Count	1
13743	Molecular_Weight	271.27
67615000	Structure_Complexity	151
56954881	Mono_Isotopic_Weight	340.16879665
66586378	Hydrogen_Bond_Donor_Count	2
129876172	Exact_Mass	341.12632271
82084	Hydrogen_Bond_Acceptor_Count	5
10967	Defined_Atom_Stereo_Count	0
61044	Rotatable_Bond_Count	0
9548620	Exact_Mass	373.05012353
135418283	Undefined_Atom_Stereo_Count	1
54585373	Total_Formal_Charge	0
27562	Rotatable_Bond_Count	1
20511	Isotope_Atom_Count	0
11501341	Covalent_Unit_Count	1
135442941	Structure_Complexity	529
16136245	Isotope_Atom_Count	0
18980923	Molecular_Weight	99.13
13283	Hydrogen_Bond_Acceptor_Count	2
34498	XLogP3-AA	3.1
136458760	Molecular_Weight	112.09
11291932	Covalent_Unit_Count	1
715568	Total_Formal_Charge	0
42070	Molecular_Weight	199.25
2763108	Isotope_Atom_Count	0
60196373	TPSA	58.6
21438815	TPSA	32.7
53805787	Undefined_Atom_Stereo_Count	1
161780	Total_Formal_Charge	0
567600	Defined_Atom_Stereo_Count	0
80434	Undefined_Atom_Stereo_Count	0
3048355	Structure_Complexity	432
14417887	Total_Formal_Charge	0
99049	Defined_Atom_Stereo_Count	0
5281884	Covalent_Unit_Count	1
24807494	Hydrogen_Bond_Donor_Count	1
4822	Defined_Bond_Stereo_Count	0
65576	Isotope_Atom_Count	0
17945002	Hydrogen_Bond_Acceptor_Count	1
7020657	Exact_Mass	198.079312947
67631	TPSA	42.5
11814656	XLogP3-AA	5.5
82755	TPSA	60.7
44123551	Hydrogen_Bond_Acceptor_Count	6
155087254	Isotope_Atom_Count	0
41022	Defined_Bond_Stereo_Count	0
7873	Defined_Bond_Stereo_Count	0
74361	Total_Formal_Charge	0
9908684	Tautomer_Count	1
81110	Structure_Complexity	171
23695324	Hydrogen_Bond_Acceptor_Count	7
15897	TPSA	26
54688683	Non-hydrogen_Atom_Count	45
20693611	Rotatable_Bond_Count	0
13558	Non-hydrogen_Atom_Count	9
53384918	Covalent_Unit_Count	1
62878	Defined_Bond_Stereo_Count	0
135423095	Covalent_Unit_Count	2
59665407	TPSA	120
6850789	Molecular_Weight	501.98
22320975	Defined_Bond_Stereo_Count	0
146027509	Molecular_Weight	527.5
11297955	TPSA	35.5
97226	Molecular_Weight	364.4
68188	Exact_Mass	224.11774614
10405144	Structure_Complexity	243
4284331	Isotope_Atom_Count	0
27581	Covalent_Unit_Count	1
139149	Hydrogen_Bond_Acceptor_Count	0
452254	Hydrogen_Bond_Acceptor_Count	6
16155604	Tautomer_Count	1000
137331882	Rotatable_Bond_Count	2
81261	Isotope_Atom_Count	0
166775	Molecular_Weight	666.6
91528	Undefined_Atom_Stereo_Count	1
3078952	Defined_Bond_Stereo_Count	0
65409	Exact_Mass	324.89063
13878880	Rotatable_Bond_Count	4
52949465	Rotatable_Bond_Count	8
84647602	Mono_Isotopic_Weight	97.052763847
21583	Covalent_Unit_Count	1
11717831	Hydrogen_Bond_Donor_Count	2
13997619	Hydrogen_Bond_Donor_Count	2
65300	Exact_Mass	171.162314293
154095	Total_Formal_Charge	0
34632	Undefined_Atom_Stereo_Count	0
79642	Mono_Isotopic_Weight	231.0509649
541384	Covalent_Unit_Count	2
5283737	Defined_Atom_Stereo_Count	6
99960	Defined_Atom_Stereo_Count	0
11309	Hydrogen_Bond_Acceptor_Count	0
86979	Hydrogen_Bond_Donor_Count	0
402869	Total_Formal_Charge	0
19082215	TPSA	128
9838022	Hydrogen_Bond_Acceptor_Count	2
31344	Total_Formal_Charge	0
5287991	Rotatable_Bond_Count	9
11315250	Structure_Complexity	527
24648	Defined_Atom_Stereo_Count	0
521207	Structure_Complexity	323
95102	Tautomer_Count	1
62398142	Hydrogen_Bond_Donor_Count	1
127657	Molecular_Weight	375.7
5458165	Covalent_Unit_Count	2
13794994	Structure_Complexity	149
10034582	Structure_Complexity	98
52943334	XLogP3-AA	4.1
415628	Exact_Mass	196.0767261
9688	Defined_Bond_Stereo_Count	0
46936582	Hydrogen_Bond_Donor_Count	6
24825272	Defined_Bond_Stereo_Count	0
21843641	TPSA	12
3715739	Molecular_Weight	219.27
25059	Undefined_Atom_Stereo_Count	0
217048	Hydrogen_Bond_Acceptor_Count	10
925852	Total_Formal_Charge	0
46238536	Isotope_Atom_Count	0
19049960	Undefined_Bond_Stereo_Count	0
10032582	Non-hydrogen_Atom_Count	49
71624469	Rotatable_Bond_Count	1
37918	Isotope_Atom_Count	0
70846	Mono_Isotopic_Weight	256.0291072
11423561	Molecular_Weight	97.12
66986	Undefined_Atom_Stereo_Count	0
6883	XLogP3	1.3
24873435	Molecular_Weight	749.9
9280	Covalent_Unit_Count	2
5014	Hydrogen_Bond_Acceptor_Count	1
5388906	Rotatable_Bond_Count	8
41	Isotope_Atom_Count	0
3713298	Covalent_Unit_Count	1
1153	Exact_Mass	181.07389321
5505	Total_Formal_Charge	0
50385	Hydrogen_Bond_Acceptor_Count	5
541123	XLogP3	1.7
146156144	Undefined_Bond_Stereo_Count	6
79878	Isotope_Atom_Count	0
709	Total_Formal_Charge	0
5467	Covalent_Unit_Count	1
637540	Defined_Bond_Stereo_Count	1
84598	Defined_Bond_Stereo_Count	0
62784	Structure_Complexity	186
7248	Hydrogen_Bond_Donor_Count	1
11953895	TPSA	139
5488631	Hydrogen_Bond_Acceptor_Count	2
23479	Undefined_Atom_Stereo_Count	1
258	Non-hydrogen_Atom_Count	30
7067897	Hydrogen_Bond_Donor_Count	6
101254310	Exact_Mass	182.07161235
11245	Structure_Complexity	42.9
23385073	Mono_Isotopic_Weight	111.068413911
2973198	Hydrogen_Bond_Acceptor_Count	4
58154	Undefined_Atom_Stereo_Count	0
20113	TPSA	58.9
25324	Structure_Complexity	212
146159909	Covalent_Unit_Count	1
36209	XLogP3-AA	4
15188270	XLogP3-AA	0.6
135444614	Non-hydrogen_Atom_Count	26
18004024	Covalent_Unit_Count	2
3609	Total_Formal_Charge	0
137530132	Structure_Complexity	879
45926185	Non-hydrogen_Atom_Count	25
16329	Tautomer_Count	1
24848330	Molecular_Weight	329.4
63049	Isotope_Atom_Count	0
35368	Total_Formal_Charge	0
565589	Exact_Mass	166.135765193
14796866	Hydrogen_Bond_Acceptor_Count	2
5324054	Defined_Atom_Stereo_Count	0
10347501	Molecular_Weight	549.5
25056915	Rotatable_Bond_Count	6
6713754	Exact_Mass	303.14705815
45488108	XLogP3-AA	3.6
68321815	Hydrogen_Bond_Acceptor_Count	4
11233	Rotatable_Bond_Count	3
65304	Isotope_Atom_Count	0
21948548	TPSA	43.1
15043884	TPSA	37.9
86220885	XLogP3-AA	0.5
2815	Non-hydrogen_Atom_Count	20
14503	Molecular_Weight	187.1
840853	Non-hydrogen_Atom_Count	13
5359596	Rotatable_Bond_Count	0
825522	Undefined_Bond_Stereo_Count	0
10246701	Molecular_Weight	341.4
146682056	Undefined_Bond_Stereo_Count	0
1188	Isotope_Atom_Count	0
231	Isotope_Atom_Count	0
117326	Exact_Mass	103.099714038
158691271	Defined_Atom_Stereo_Count	0
5330213	Rotatable_Bond_Count	5
39328	Tautomer_Count	1
71460733	Covalent_Unit_Count	1
138446	Defined_Atom_Stereo_Count	0
674701	Defined_Bond_Stereo_Count	0
11804686	Hydrogen_Bond_Donor_Count	2
5514	Undefined_Atom_Stereo_Count	4
66051	Isotope_Atom_Count	0
25954	Hydrogen_Bond_Donor_Count	0
922	Defined_Bond_Stereo_Count	0
90818	Tautomer_Count	1
28727	Structure_Complexity	237
249187	TPSA	150
158182	XLogP3-AA	2.6
6134	Isotope_Atom_Count	0
3014106	Exact_Mass	112.052429494
75496	XLogP3	0.2
134694073	Hydrogen_Bond_Acceptor_Count	7
4011971	Undefined_Bond_Stereo_Count	0
2883813	Undefined_Bond_Stereo_Count	0
12736	Defined_Bond_Stereo_Count	0
22812306	Total_Formal_Charge	0
94271	TPSA	116
71742521	Mono_Isotopic_Weight	111.068413911
524270	Defined_Bond_Stereo_Count	0
69561	Mono_Isotopic_Weight	318.99083258
631	XLogP3-AA	5.7
69676	TPSA	9.2
27503	Rotatable_Bond_Count	6
54184524	Exact_Mass	86.036779430
65987055	TPSA	46.2
10997012	Defined_Atom_Stereo_Count	0
13437467	Isotope_Atom_Count	0
67233953	Defined_Bond_Stereo_Count	0
101821629	Hydrogen_Bond_Donor_Count	0
14171936	Rotatable_Bond_Count	2
31772	Defined_Atom_Stereo_Count	0
72064	Isotope_Atom_Count	0
61249	Defined_Atom_Stereo_Count	0
118975693	Rotatable_Bond_Count	1
154474735	Non-hydrogen_Atom_Count	7
10442	Non-hydrogen_Atom_Count	5
656838	Defined_Atom_Stereo_Count	0
114911	Undefined_Atom_Stereo_Count	1
18359433	Structure_Complexity	94.3
11783	Undefined_Atom_Stereo_Count	0
2733832	Defined_Atom_Stereo_Count	0
57659	Defined_Bond_Stereo_Count	0
190818	Molecular_Weight	496.4
71311337	Structure_Complexity	8
158348	Isotope_Atom_Count	0
11051613	Exact_Mass	114.068079557
147089	Undefined_Bond_Stereo_Count	0
143196	TPSA	44.7
20514191	Exact_Mass	99.104799419
10882	Defined_Bond_Stereo_Count	0
6276	Hydrogen_Bond_Acceptor_Count	1
77317	Defined_Atom_Stereo_Count	0
5159892	Mono_Isotopic_Weight	166.01403261
9865442	TPSA	83.8
263086	Covalent_Unit_Count	1
130054486	Undefined_Atom_Stereo_Count	1
79076	Undefined_Atom_Stereo_Count	1
105766824	Non-hydrogen_Atom_Count	8
10975422	Structure_Complexity	63.1
2723716	Defined_Bond_Stereo_Count	0
27596	Defined_Bond_Stereo_Count	0
132647840	Molecular_Weight	156.19
543061	Tautomer_Count	1
12470257	Hydrogen_Bond_Acceptor_Count	2
12606301	Rotatable_Bond_Count	0
57521	Exact_Mass	564.16787042
6713960	Rotatable_Bond_Count	6
7777	Exact_Mass	145.157897619
639288	Structure_Complexity	528
66102	Exact_Mass	246.08920892
750284	Undefined_Atom_Stereo_Count	0
16051696	TPSA	92.7
22081030	Isotope_Atom_Count	0
43513	Isotope_Atom_Count	0
231040	XLogP3-AA	2.8
21723655	TPSA	20.2
3015798	Defined_Bond_Stereo_Count	0
4644996	Mono_Isotopic_Weight	106.98029013
16600	Rotatable_Bond_Count	5
129826870	Hydrogen_Bond_Donor_Count	0
2725002	Defined_Bond_Stereo_Count	0
71080	Exact_Mass	89.047678466
144813235	Isotope_Atom_Count	0
65947	Undefined_Atom_Stereo_Count	1
1080	Non-hydrogen_Atom_Count	11
1890	Molecular_Weight	240.25
11387	Undefined_Bond_Stereo_Count	0
5284361	Mono_Isotopic_Weight	407.930644
256188	Hydrogen_Bond_Donor_Count	1
17898580	Hydrogen_Bond_Acceptor_Count	2
6852167	XLogP3-AA	1.4
93321	Defined_Atom_Stereo_Count	5
131398469	Mono_Isotopic_Weight	111.068413911
20161	Structure_Complexity	169
29800	Defined_Bond_Stereo_Count	0
7812	Non-hydrogen_Atom_Count	8
6917762	Exact_Mass	228.183778013
67239709	Defined_Bond_Stereo_Count	0
75443	Undefined_Bond_Stereo_Count	0
67103	Hydrogen_Bond_Acceptor_Count	1
57159129	Mono_Isotopic_Weight	123.03539970
135747	XLogP3-AA	0.3
23049714	Mono_Isotopic_Weight	165.02483502
97375	Undefined_Bond_Stereo_Count	0
96302	Hydrogen_Bond_Donor_Count	0
25563	Defined_Atom_Stereo_Count	0
5282517	Defined_Bond_Stereo_Count	0
44724350	Exact_Mass	215.1076919
15690	Structure_Complexity	110
6436223	Total_Formal_Charge	0
16054	Covalent_Unit_Count	1
170759	Defined_Bond_Stereo_Count	0
91754	Molecular_Weight	364.9
28397	Exact_Mass	311.224914549
56842993	Structure_Complexity	503
56955068	Undefined_Bond_Stereo_Count	0
155886088	Mono_Isotopic_Weight	4606.8864201
145019560	Total_Formal_Charge	0
104806	Mono_Isotopic_Weight	61.987817862
3035241	Undefined_Bond_Stereo_Count	0
82607	Structure_Complexity	159
535824	Covalent_Unit_Count	1
71306720	Defined_Atom_Stereo_Count	10
89735852	Covalent_Unit_Count	1
69341863	Structure_Complexity	76.8
53759081	Mono_Isotopic_Weight	103.063328530
363272	TPSA	28.3
95354	Defined_Bond_Stereo_Count	0
15709948	Molecular_Weight	437.70
442436	Rotatable_Bond_Count	11
56675795	Hydrogen_Bond_Acceptor_Count	7
1792	XLogP3	2.2
12132667	Non-hydrogen_Atom_Count	7
71457270	Undefined_Bond_Stereo_Count	0
45109789	Defined_Atom_Stereo_Count	0
10877967	Non-hydrogen_Atom_Count	11
123337583	Non-hydrogen_Atom_Count	7
23694213	Defined_Atom_Stereo_Count	3
20342	Undefined_Atom_Stereo_Count	1
118176200	XLogP3-AA	0.1
54584753	Molecular_Weight	424.5
54793	Exact_Mass	283.157228913
18048	Total_Formal_Charge	0
51049968	Hydrogen_Bond_Donor_Count	2
445	Tautomer_Count	1
639420	Defined_Bond_Stereo_Count	0
9839867	Structure_Complexity	316
947	XLogP3-AA	0.1
9268	Exact_Mass	168.187800766
127894	Defined_Atom_Stereo_Count	4
86260	Non-hydrogen_Atom_Count	19
32350	Molecular_Weight	731.7
11977753	Mono_Isotopic_Weight	469.19026037
23678874	TPSA	65.6
194338	Defined_Bond_Stereo_Count	0
12005	Non-hydrogen_Atom_Count	9
26369821	Covalent_Unit_Count	1
47289	Undefined_Bond_Stereo_Count	0
87940821	Exact_Mass	114.031694049
15558640	Covalent_Unit_Count	1
23701721	Hydrogen_Bond_Donor_Count	0
62955	Hydrogen_Bond_Acceptor_Count	14
6436059	Hydrogen_Bond_Acceptor_Count	1
797998	Isotope_Atom_Count	0
4192	Defined_Bond_Stereo_Count	0
30215	Defined_Atom_Stereo_Count	0
22712811	Defined_Bond_Stereo_Count	0
62510	Tautomer_Count	1
1715	Tautomer_Count	1
17754220	Undefined_Atom_Stereo_Count	0
5281034	Isotope_Atom_Count	0
6982	Defined_Bond_Stereo_Count	0
2723770	Isotope_Atom_Count	0
2723785	Covalent_Unit_Count	1
95483	Undefined_Atom_Stereo_Count	1
71562	Exact_Mass	158.0610761
131954773	TPSA	166
186114	Tautomer_Count	2
5281647	Exact_Mass	422.08491139
121304016	Defined_Bond_Stereo_Count	0
177085	Covalent_Unit_Count	1
693315	Undefined_Bond_Stereo_Count	1
643835	Hydrogen_Bond_Donor_Count	0
146156434	Rotatable_Bond_Count	9
441337	Hydrogen_Bond_Acceptor_Count	5
21855	Hydrogen_Bond_Donor_Count	0
89335	Non-hydrogen_Atom_Count	14
18762346	Defined_Bond_Stereo_Count	0
5353959	Hydrogen_Bond_Donor_Count	4
86287524	Hydrogen_Bond_Donor_Count	0
45270588	Molecular_Weight	497.1
11619519	TPSA	94.2
8759	Exact_Mass	336.05455397
3651	Non-hydrogen_Atom_Count	11
16142	Rotatable_Bond_Count	2
76118878	Structure_Complexity	127
6917656	Rotatable_Bond_Count	2
3033050	Hydrogen_Bond_Acceptor_Count	5
8828	Defined_Atom_Stereo_Count	0
9877306	Structure_Complexity	2710
3062316	Undefined_Bond_Stereo_Count	0
10378	Structure_Complexity	185
11241	TPSA	0
78408892	TPSA	49.7
87831585	Structure_Complexity	101
14412169	Molecular_Weight	96.13
117479	Exact_Mass	101.120449483
58488970	Rotatable_Bond_Count	0
70681777	Rotatable_Bond_Count	8
9889867	Mono_Isotopic_Weight	448.21105539
16109396	Mono_Isotopic_Weight	356.18484064
79117672	Non-hydrogen_Atom_Count	8
61865004	Mono_Isotopic_Weight	113.084063974
536086	Hydrogen_Bond_Acceptor_Count	2
10479060	Exact_Mass	453.04694804
7293	Hydrogen_Bond_Acceptor_Count	1
37545	Undefined_Bond_Stereo_Count	0
5367415	Isotope_Atom_Count	0
18936143	Defined_Bond_Stereo_Count	0
18680274	Defined_Atom_Stereo_Count	0
22082840	Covalent_Unit_Count	1
123247088	Hydrogen_Bond_Donor_Count	0
78255	Rotatable_Bond_Count	18
70680234	Isotope_Atom_Count	0
25849	Hydrogen_Bond_Acceptor_Count	2
17916	Hydrogen_Bond_Donor_Count	1
6433095	Isotope_Atom_Count	0
20060494	Undefined_Bond_Stereo_Count	0
1045	Isotope_Atom_Count	0
15660	Non-hydrogen_Atom_Count	15
137240373	Structure_Complexity	2470
45275554	Undefined_Bond_Stereo_Count	0
21906897	Defined_Bond_Stereo_Count	0
88762442	Isotope_Atom_Count	0
82587	Rotatable_Bond_Count	0
50925404	Mono_Isotopic_Weight	442.08644461
398679	Covalent_Unit_Count	1
3462	Total_Formal_Charge	0
410214	Isotope_Atom_Count	0
20912	Defined_Atom_Stereo_Count	0
397	Rotatable_Bond_Count	2
185792	Exact_Mass	121.971284
53411707	Defined_Bond_Stereo_Count	0
5015763	Exact_Mass	232.06703418
96273	Defined_Atom_Stereo_Count	0
58028426	Defined_Atom_Stereo_Count	0
18719616	Covalent_Unit_Count	1
448133	Rotatable_Bond_Count	19
9803225	Hydrogen_Bond_Donor_Count	2
13641	Non-hydrogen_Atom_Count	11
123671769	Hydrogen_Bond_Acceptor_Count	4
10909485	Defined_Atom_Stereo_Count	0
12460926	Non-hydrogen_Atom_Count	9
69095	Structure_Complexity	363
6537431	Non-hydrogen_Atom_Count	32
77795	Rotatable_Bond_Count	4
154169739	XLogP3-AA	2.3
35162	Mono_Isotopic_Weight	213.126597491
547064	Hydrogen_Bond_Donor_Count	0
270255	Isotope_Atom_Count	0
2177	Mono_Isotopic_Weight	505.22465702
198061	Undefined_Bond_Stereo_Count	0
118010510	Defined_Bond_Stereo_Count	0
73881	Undefined_Atom_Stereo_Count	0
55080	Undefined_Atom_Stereo_Count	0
5359272	TPSA	23.5
130642949	Undefined_Atom_Stereo_Count	1
25217563	Exact_Mass	394.0808233
351208	Exact_Mass	115.063328530
476	Hydrogen_Bond_Acceptor_Count	7
100524	Defined_Atom_Stereo_Count	0
146156434	Isotope_Atom_Count	0
521998	Structure_Complexity	206
5316860	Tautomer_Count	1
75043	Non-hydrogen_Atom_Count	13
16036825	Undefined_Bond_Stereo_Count	0
443375	Undefined_Atom_Stereo_Count	0
2760115	Tautomer_Count	1
522086	TPSA	20.2
518818	Hydrogen_Bond_Donor_Count	0
584807	TPSA	47.6
6335	Undefined_Bond_Stereo_Count	0
31173	Defined_Bond_Stereo_Count	0
88482362	Molecular_Weight	108.09
3476	Isotope_Atom_Count	0
44629456	Undefined_Bond_Stereo_Count	0
5478927	TPSA	121
641768	Defined_Bond_Stereo_Count	0
494519	Mono_Isotopic_Weight	399.13180201
89310012	Undefined_Bond_Stereo_Count	0
16129809	TPSA	478
10964	Total_Formal_Charge	0
60602	Rotatable_Bond_Count	11
100940066	Undefined_Bond_Stereo_Count	0
10130220	Defined_Atom_Stereo_Count	4
23615402	Isotope_Atom_Count	0
55288256	Rotatable_Bond_Count	0
105007	Defined_Bond_Stereo_Count	0
2733352	Total_Formal_Charge	0
21359349	Mono_Isotopic_Weight	155.142041939
72725	Undefined_Bond_Stereo_Count	0
139099	Defined_Atom_Stereo_Count	0
190291	Tautomer_Count	2
15991574	Molecular_Weight	148.12
61627	Defined_Atom_Stereo_Count	0
137717	Hydrogen_Bond_Acceptor_Count	4
12664944	Non-hydrogen_Atom_Count	7
123754760	Hydrogen_Bond_Donor_Count	0
54503479	XLogP3-AA	5.3
2733749	Undefined_Atom_Stereo_Count	0
61953	XLogP3-AA	3
444000	Defined_Atom_Stereo_Count	5
51635	Molecular_Weight	269.77
21058179	Defined_Bond_Stereo_Count	0
5280360	Defined_Bond_Stereo_Count	2
8754	Structure_Complexity	240
80790	Rotatable_Bond_Count	2
65487	Defined_Atom_Stereo_Count	0
6442928	Exact_Mass	408.15326573
9883915	Non-hydrogen_Atom_Count	24
14789	Non-hydrogen_Atom_Count	7
40784491	Undefined_Atom_Stereo_Count	0
10518	Structure_Complexity	406
70700216	Rotatable_Bond_Count	2
14208378	Defined_Bond_Stereo_Count	0
21365956	Undefined_Bond_Stereo_Count	0
123840	Defined_Atom_Stereo_Count	0
49621	Non-hydrogen_Atom_Count	22
91395	Covalent_Unit_Count	1
2181	Exact_Mass	162.115698455
91018	Isotope_Atom_Count	0
12180	Non-hydrogen_Atom_Count	7
27648	Tautomer_Count	1
11069	Molecular_Weight	422.5
45076013	Non-hydrogen_Atom_Count	7
13112141	Rotatable_Bond_Count	0
2737136	Undefined_Atom_Stereo_Count	0
6282	Mono_Isotopic_Weight	833.60878
145754	Molecular_Weight	119.08
3372016	Exact_Mass	524.11228755
4167	Covalent_Unit_Count	1
14145	TPSA	74.3
7784	TPSA	52.6
68822	Covalent_Unit_Count	1
5484735	Non-hydrogen_Atom_Count	34
9817140	XLogP3-AA	3.1
30185	Hydrogen_Bond_Acceptor_Count	16
6349	Total_Formal_Charge	0
91861230	Undefined_Atom_Stereo_Count	1
24671	Defined_Bond_Stereo_Count	0
23080912	Non-hydrogen_Atom_Count	8
80265	Covalent_Unit_Count	1
8467	Undefined_Atom_Stereo_Count	0
26470525	Molecular_Weight	342.30
948954	Defined_Atom_Stereo_Count	0
90930062	TPSA	55.4
9798038	Molecular_Weight	340.5
140376	Exact_Mass	108.068748264
9160	Non-hydrogen_Atom_Count	21
18068	Hydrogen_Bond_Donor_Count	9
10630437	Hydrogen_Bond_Donor_Count	0
87100666	Undefined_Bond_Stereo_Count	0
53846425	TPSA	60.7
5329020	Hydrogen_Bond_Acceptor_Count	8
11819055	TPSA	25.7
53357478	Mono_Isotopic_Weight	561.26752246
518605	Hydrogen_Bond_Acceptor_Count	6
71812105	Exact_Mass	291.18344366
41466	Exact_Mass	130.074227566
657731	Isotope_Atom_Count	0
54584258	Undefined_Bond_Stereo_Count	0
23496510	Covalent_Unit_Count	1
21917311	Structure_Complexity	293
66082	Structure_Complexity	62.7
5489120	Hydrogen_Bond_Acceptor_Count	5
6434	XLogP3-AA	5.3
23349	Undefined_Bond_Stereo_Count	0
69347980	Covalent_Unit_Count	1
44419427	Defined_Atom_Stereo_Count	6
70692177	Undefined_Bond_Stereo_Count	0
67403	Undefined_Bond_Stereo_Count	0
875	TPSA	115
5323974	Isotope_Atom_Count	0
78979	Total_Formal_Charge	0
5474229	Undefined_Atom_Stereo_Count	19
4262071	TPSA	66.8
87512483	Undefined_Atom_Stereo_Count	0
131411	Isotope_Atom_Count	0
21284699	Structure_Complexity	88.5
44455014	Non-hydrogen_Atom_Count	26
24900685	Defined_Bond_Stereo_Count	0
210704	TPSA	40.5
10133	Rotatable_Bond_Count	4
16751505	Exact_Mass	206.167065321
73086	Non-hydrogen_Atom_Count	11
34875	Undefined_Bond_Stereo_Count	0
7678	Tautomer_Count	3
79723	Undefined_Bond_Stereo_Count	0
8693	Defined_Atom_Stereo_Count	0
20387216	Mono_Isotopic_Weight	113.120449483
6449	Hydrogen_Bond_Acceptor_Count	4
132647840	Covalent_Unit_Count	2
92934	Undefined_Atom_Stereo_Count	0
1201445	Non-hydrogen_Atom_Count	8
709	XLogP3	1.5
16126898	Mono_Isotopic_Weight	524.2765481
11477833	Hydrogen_Bond_Donor_Count	3
97390	XLogP3-AA	0.2
11768526	Rotatable_Bond_Count	3
54051670	Defined_Atom_Stereo_Count	0
11476460	Undefined_Bond_Stereo_Count	0
11182591	Hydrogen_Bond_Acceptor_Count	2
18352756	Defined_Bond_Stereo_Count	0
6321422	Undefined_Atom_Stereo_Count	0
154701841	Hydrogen_Bond_Acceptor_Count	1
878	Mono_Isotopic_Weight	48.00337130
101033892	Undefined_Bond_Stereo_Count	0
17963226	Covalent_Unit_Count	1
87072684	XLogP3-AA	0.8
114839	Undefined_Atom_Stereo_Count	0
192275	Undefined_Atom_Stereo_Count	0
24944555	Defined_Bond_Stereo_Count	0
93706	Defined_Atom_Stereo_Count	0
2997	XLogP3	2.9
116701105	Defined_Bond_Stereo_Count	0
20767631	Defined_Atom_Stereo_Count	0
487	Structure_Complexity	103
91851108	Non-hydrogen_Atom_Count	23
69871	Isotope_Atom_Count	0
11839	Tautomer_Count	1
20137	Hydrogen_Bond_Donor_Count	1
1682	Rotatable_Bond_Count	3
686752	Undefined_Bond_Stereo_Count	0
835411	Non-hydrogen_Atom_Count	21
306049	Total_Formal_Charge	0
3084169	Defined_Bond_Stereo_Count	0
5282363	Undefined_Atom_Stereo_Count	0
98559	Non-hydrogen_Atom_Count	21
29339	Isotope_Atom_Count	0
54316592	Hydrogen_Bond_Acceptor_Count	1
5377571	Isotope_Atom_Count	0
15008	Covalent_Unit_Count	1
46783864	Hydrogen_Bond_Acceptor_Count	4
4619	Rotatable_Bond_Count	13
146935695	Hydrogen_Bond_Donor_Count	0
5329103	Molecular_Weight	414.9
148119	Undefined_Bond_Stereo_Count	0
3337411	Structure_Complexity	454
16131310	Covalent_Unit_Count	1
129009927	Covalent_Unit_Count	1
26651	Defined_Bond_Stereo_Count	0
140180	Structure_Complexity	25.3
21953621	Structure_Complexity	358
553	Isotope_Atom_Count	0
551185	Molecular_Weight	100.16
9797798	TPSA	101
45345	Covalent_Unit_Count	1
64143	Defined_Atom_Stereo_Count	5
29685	Isotope_Atom_Count	0
61489	Structure_Complexity	62.2
54925	XLogP3-AA	3.3
57363	Total_Formal_Charge	0
54501180	Structure_Complexity	119
37464	Covalent_Unit_Count	1
53810451	Structure_Complexity	80.1
398599	TPSA	18.5
5311309	Total_Formal_Charge	0
6427770	Defined_Bond_Stereo_Count	0
57557625	Undefined_Atom_Stereo_Count	0
93348	Undefined_Atom_Stereo_Count	0
154803918	Hydrogen_Bond_Donor_Count	7
59432048	Exact_Mass	118.02660867
4040	Rotatable_Bond_Count	3
16759177	Hydrogen_Bond_Donor_Count	2
2283	TPSA	556
3032572	Total_Formal_Charge	0
79224	Defined_Bond_Stereo_Count	0
164167667	Undefined_Atom_Stereo_Count	2
6433164	Tautomer_Count	1
20499147	Defined_Bond_Stereo_Count	0
135457302	Undefined_Atom_Stereo_Count	0
129728843	Hydrogen_Bond_Acceptor_Count	2
57515833	Isotope_Atom_Count	0
3032854	Hydrogen_Bond_Acceptor_Count	2
135412781	Non-hydrogen_Atom_Count	21
40666	Structure_Complexity	299
460917	Mono_Isotopic_Weight	286.168127949
13992155	Rotatable_Bond_Count	11
21688635	Total_Formal_Charge	0
87237616	XLogP3-AA	21.2
163628725	Undefined_Atom_Stereo_Count	1
91365800	Defined_Bond_Stereo_Count	0
51529	Defined_Atom_Stereo_Count	0
1077757	Defined_Atom_Stereo_Count	0
8752	Mono_Isotopic_Weight	396.0701697
5310987	Defined_Atom_Stereo_Count	0
3332	Undefined_Atom_Stereo_Count	0
24287	Structure_Complexity	19.1
86049	Structure_Complexity	30.7
17074527	XLogP3-AA	0
10039774	Exact_Mass	288.208930132
556684	Total_Formal_Charge	0
9543213	Isotope_Atom_Count	0
155893809	Mono_Isotopic_Weight	114.068079557
13499611	Molecular_Weight	114.19
44593434	Rotatable_Bond_Count	4
8481	Total_Formal_Charge	0
96563	Hydrogen_Bond_Acceptor_Count	8
256019	Hydrogen_Bond_Acceptor_Count	4
6540	Undefined_Bond_Stereo_Count	0
70689311	Covalent_Unit_Count	3
56840904	Non-hydrogen_Atom_Count	29
57353643	Molecular_Weight	317.4
13347992	Rotatable_Bond_Count	0
3487	XLogP3	1.9
9794159	TPSA	114
71508542	Undefined_Bond_Stereo_Count	0
71312306	Rotatable_Bond_Count	0
24480	Non-hydrogen_Atom_Count	3
65394	Defined_Atom_Stereo_Count	0
89252	Isotope_Atom_Count	0
20752353	TPSA	12.5
53323075	Hydrogen_Bond_Acceptor_Count	8
39911	Undefined_Atom_Stereo_Count	0
5280531	Undefined_Bond_Stereo_Count	0
92667	Total_Formal_Charge	0
62517	Molecular_Weight	578.4
29701	Defined_Atom_Stereo_Count	0
616631	TPSA	40
7344	Structure_Complexity	79.7
64302	Hydrogen_Bond_Donor_Count	2
19077501	Mono_Isotopic_Weight	390.1258817
49858377	Defined_Bond_Stereo_Count	0
3822	Rotatable_Bond_Count	5
40549	Undefined_Atom_Stereo_Count	0
135754	Structure_Complexity	563
19070644	Hydrogen_Bond_Donor_Count	0
46830489	Exact_Mass	330.18444672
5460024	Isotope_Atom_Count	0
153005	Covalent_Unit_Count	1
46942	Structure_Complexity	156
68015385	Total_Formal_Charge	0
32230	Non-hydrogen_Atom_Count	21
12082850	Total_Formal_Charge	0
7375	Tautomer_Count	1
91694	Undefined_Bond_Stereo_Count	0
7822	Rotatable_Bond_Count	4
53846436	Undefined_Bond_Stereo_Count	2
68116	Isotope_Atom_Count	0
5362119	Mono_Isotopic_Weight	405.22637110
46220	Total_Formal_Charge	0
3134	Isotope_Atom_Count	0
6439342	Tautomer_Count	4
391	Non-hydrogen_Atom_Count	21
11651149	TPSA	26
69162577	Exact_Mass	112.074896272
44146693	Hydrogen_Bond_Acceptor_Count	6
22990584	Undefined_Atom_Stereo_Count	0
129672477	Defined_Atom_Stereo_Count	0
30815	Exact_Mass	169.0294416
5281877	Defined_Bond_Stereo_Count	4
473148	Structure_Complexity	226
101828545	Isotope_Atom_Count	0
60196412	Exact_Mass	587.28183511
350825	Undefined_Bond_Stereo_Count	0
63181514	Exact_Mass	102.079312947
181887	TPSA	13.1
629	Undefined_Bond_Stereo_Count	0
5281612	Mono_Isotopic_Weight	300.06338810
11438771	Rotatable_Bond_Count	3
39793	Defined_Bond_Stereo_Count	0
74682	Structure_Complexity	272
12668	Structure_Complexity	121
8090	Total_Formal_Charge	0
3915	Undefined_Atom_Stereo_Count	2
16212939	Undefined_Atom_Stereo_Count	0
10440976	Total_Formal_Charge	0
86821	TPSA	20.2
50983	Defined_Atom_Stereo_Count	0
81239	Molecular_Weight	166.22
2768268	Undefined_Bond_Stereo_Count	0
12318317	Molecular_Weight	131.17
44404642	Hydrogen_Bond_Acceptor_Count	5
9956189	TPSA	88.6
42207	Molecular_Weight	543.1
71894	Hydrogen_Bond_Acceptor_Count	4
90737888	Non-hydrogen_Atom_Count	7
2724	Rotatable_Bond_Count	6
86583	Hydrogen_Bond_Donor_Count	1
6604926	Rotatable_Bond_Count	2
64017	Isotope_Atom_Count	0
56666341	Defined_Bond_Stereo_Count	0
7530	TPSA	9.2
97740	Covalent_Unit_Count	1
271792	Total_Formal_Charge	0
13707503	Structure_Complexity	101
87386545	Covalent_Unit_Count	1
639662	Structure_Complexity	44
283813	TPSA	29.1
637542	Undefined_Atom_Stereo_Count	0
12364784	Undefined_Atom_Stereo_Count	2
3184	TPSA	90.2
11454	Exact_Mass	183.98876
489	Non-hydrogen_Atom_Count	16
18616052	Non-hydrogen_Atom_Count	8
5077	Non-hydrogen_Atom_Count	18
11712649	Molecular_Weight	476.9
85979	Defined_Bond_Stereo_Count	0
40466862	Isotope_Atom_Count	0
625469	Defined_Bond_Stereo_Count	0
6259	Structure_Complexity	116
36732	Covalent_Unit_Count	2
28064676	Non-hydrogen_Atom_Count	7
15596187	Hydrogen_Bond_Acceptor_Count	7
21343689	Hydrogen_Bond_Acceptor_Count	0
14976739	Isotope_Atom_Count	0
5283324	Total_Formal_Charge	0
4306558	Exact_Mass	667.19365419
86287410	XLogP3-AA	2.8
13035004	Hydrogen_Bond_Donor_Count	1
9018	TPSA	20.2
23270069	Covalent_Unit_Count	1
19911368	Exact_Mass	98.011627311
34624	Mono_Isotopic_Weight	295.157228913
129868321	Defined_Atom_Stereo_Count	0
23571381	Undefined_Bond_Stereo_Count	0
18726556	Total_Formal_Charge	0
12243027	Hydrogen_Bond_Donor_Count	2
134828	Tautomer_Count	3
18955278	Hydrogen_Bond_Donor_Count	0
81971	Mono_Isotopic_Weight	458.00663923
21987711	Molecular_Weight	113.16
55483	Undefined_Atom_Stereo_Count	0
89364481	Mono_Isotopic_Weight	116.083729621
5459796	Non-hydrogen_Atom_Count	20
70686471	Exact_Mass	265.09635999
179344	Undefined_Atom_Stereo_Count	0
102444	Isotope_Atom_Count	0
73211	Covalent_Unit_Count	1
484	Rotatable_Bond_Count	0
65584	Undefined_Atom_Stereo_Count	0
543882	Hydrogen_Bond_Acceptor_Count	1
71533242	Undefined_Atom_Stereo_Count	1
189914	Hydrogen_Bond_Donor_Count	6
11389423	Exact_Mass	138.140850574
54713659	Tautomer_Count	6
23693092	Hydrogen_Bond_Acceptor_Count	6
92158	Tautomer_Count	2
44475367	Undefined_Bond_Stereo_Count	0
34260	Undefined_Atom_Stereo_Count	2
448258	Isotope_Atom_Count	0
16132344	Defined_Atom_Stereo_Count	45
242912	Hydrogen_Bond_Donor_Count	3
67962	Defined_Atom_Stereo_Count	0
543199	Mono_Isotopic_Weight	82.041864811
76063	Isotope_Atom_Count	0
684	Covalent_Unit_Count	1
33960	XLogP3-AA	3
42602176	Isotope_Atom_Count	0
197839	Defined_Atom_Stereo_Count	0
1061	Covalent_Unit_Count	1
71679	TPSA	83.2
6075	Exact_Mass	310.15036988
65091	Exact_Mass	466.98959857
59177	Structure_Complexity	249
2097895	TPSA	29.1
212	Molecular_Weight	358.28
71451733	Mono_Isotopic_Weight	372.19615422
38310	TPSA	46.3
76478	Isotope_Atom_Count	0
44588235	Structure_Complexity	788
7980	Defined_Bond_Stereo_Count	0
87149	Defined_Bond_Stereo_Count	0
84442	Covalent_Unit_Count	1
71072050	Undefined_Atom_Stereo_Count	0
71158	Molecular_Weight	181.21
3760	Defined_Bond_Stereo_Count	0
20132002	Molecular_Weight	82.10
5148195	Hydrogen_Bond_Donor_Count	0
69049742	TPSA	145
118984411	Total_Formal_Charge	0
13889162	Rotatable_Bond_Count	5
550925	Defined_Atom_Stereo_Count	0
91865076	TPSA	943
37144	Undefined_Atom_Stereo_Count	0
13081559	Hydrogen_Bond_Acceptor_Count	2
13078198	Rotatable_Bond_Count	0
2164	TPSA	75.3
1515	Tautomer_Count	1
10964459	Defined_Atom_Stereo_Count	0
395999	Isotope_Atom_Count	0
91558	Undefined_Bond_Stereo_Count	0
529	Non-hydrogen_Atom_Count	9
101484762	Undefined_Atom_Stereo_Count	3
56841628	TPSA	170
9852519	Defined_Atom_Stereo_Count	0
548	Defined_Atom_Stereo_Count	0
158698	Defined_Bond_Stereo_Count	0
192004	Covalent_Unit_Count	3
44338989	Isotope_Atom_Count	0
216261	XLogP3-AA	4.7
25273215	Total_Formal_Charge	1
5437	Covalent_Unit_Count	1
9739	Mono_Isotopic_Weight	173.9917565
76971015	Isotope_Atom_Count	0
13083754	Non-hydrogen_Atom_Count	8
20378083	Covalent_Unit_Count	1
12317612	Mono_Isotopic_Weight	112.052429494
11480819	Mono_Isotopic_Weight	181.06674293
447234	Defined_Atom_Stereo_Count	3
3939	Non-hydrogen_Atom_Count	2
440192	Defined_Atom_Stereo_Count	0
13400658	Isotope_Atom_Count	0
139254656	Hydrogen_Bond_Acceptor_Count	4
11960529	Exact_Mass	244.13241115
5353622	Undefined_Bond_Stereo_Count	0
122384816	Rotatable_Bond_Count	24
12406682	Defined_Bond_Stereo_Count	0
9833984	Defined_Atom_Stereo_Count	1
49765077	Undefined_Atom_Stereo_Count	0
85605344	Hydrogen_Bond_Acceptor_Count	1
142551	Defined_Atom_Stereo_Count	0
34852	Undefined_Bond_Stereo_Count	0
5318156	Mono_Isotopic_Weight	534.17372639
9934678	Non-hydrogen_Atom_Count	29
3571	Tautomer_Count	162
46225290	Rotatable_Bond_Count	4
3848	Rotatable_Bond_Count	3
39764	Defined_Atom_Stereo_Count	10
12381421	TPSA	12.5
93847	Molecular_Weight	210.31
16721	XLogP3	2.3
13438401	Exact_Mass	112.052429494
5491930	Molecular_Weight	78.028
13244249	Rotatable_Bond_Count	1
795	Structure_Complexity	28.1
544596	Undefined_Bond_Stereo_Count	0
6435415	Total_Formal_Charge	0
12920383	Defined_Bond_Stereo_Count	0
5918	Defined_Atom_Stereo_Count	0
155294764	Undefined_Bond_Stereo_Count	1
16230	Defined_Atom_Stereo_Count	0
13005	Non-hydrogen_Atom_Count	8
8282	Mono_Isotopic_Weight	119.094628657
68027290	Defined_Bond_Stereo_Count	0
154104	Hydrogen_Bond_Donor_Count	2
212	Covalent_Unit_Count	1
135413536	Undefined_Bond_Stereo_Count	0
129851390	Isotope_Atom_Count	0
657238	Exact_Mass	402.20423867
166754	Tautomer_Count	4
4595	Defined_Bond_Stereo_Count	0
131750204	Isotope_Atom_Count	0
133268464	Hydrogen_Bond_Donor_Count	21
10772937	Undefined_Atom_Stereo_Count	1
10975412	TPSA	44
91419082	TPSA	9.2
14369	Structure_Complexity	334
3988	TPSA	113
20387231	Covalent_Unit_Count	1
6331	Covalent_Unit_Count	1
20680013	Defined_Atom_Stereo_Count	0
90843502	Rotatable_Bond_Count	1
3047787	Tautomer_Count	2
5324276	Tautomer_Count	4
2239	Undefined_Bond_Stereo_Count	0
5424	Molecular_Weight	172.09
101047267	Defined_Bond_Stereo_Count	0
16136245	Structure_Complexity	3390
778159	Defined_Atom_Stereo_Count	0
130600	Mono_Isotopic_Weight	113.084063974
21087	Mono_Isotopic_Weight	294.173213330
67956	Hydrogen_Bond_Acceptor_Count	4
9228	Hydrogen_Bond_Acceptor_Count	2
9430	Undefined_Bond_Stereo_Count	0
46227489	Hydrogen_Bond_Donor_Count	2
87190	Undefined_Atom_Stereo_Count	0
520098	Exact_Mass	166.110613074
66840	Rotatable_Bond_Count	2
5591	Non-hydrogen_Atom_Count	31
77328	Undefined_Bond_Stereo_Count	0
63141	Total_Formal_Charge	0
140409	Covalent_Unit_Count	1
20317822	Defined_Bond_Stereo_Count	0
86260	Mono_Isotopic_Weight	373.839331
7768	Hydrogen_Bond_Acceptor_Count	1
68016	Non-hydrogen_Atom_Count	10
68321874	Structure_Complexity	582
5528	Molecular_Weight	166.22
16760	TPSA	50.7
69140538	Defined_Atom_Stereo_Count	0
25184541	Covalent_Unit_Count	1
522662	Structure_Complexity	60.4
3951	Defined_Atom_Stereo_Count	0
3003004	Hydrogen_Bond_Acceptor_Count	4
5380976	Non-hydrogen_Atom_Count	19
79048	Molecular_Weight	98.14
25245711	Molecular_Weight	889.7
53657	Rotatable_Bond_Count	2
17842471	Rotatable_Bond_Count	0
23724796	Covalent_Unit_Count	1
57345538	Undefined_Atom_Stereo_Count	0
13713368	Molecular_Weight	395.0
154091255	Molecular_Weight	113.11
55288485	Defined_Atom_Stereo_Count	0
47519	Molecular_Weight	102.13
16120191	Rotatable_Bond_Count	3
476778	Defined_Atom_Stereo_Count	3
439587	Molecular_Weight	309.36
25201603	Undefined_Bond_Stereo_Count	0
107926	Defined_Atom_Stereo_Count	1
59755737	Hydrogen_Bond_Donor_Count	0
91168	Structure_Complexity	143
581206	Hydrogen_Bond_Acceptor_Count	2
59826795	Hydrogen_Bond_Acceptor_Count	3
23180086	Hydrogen_Bond_Acceptor_Count	3
7204	Mono_Isotopic_Weight	200.0240218
85989631	Hydrogen_Bond_Donor_Count	0
21884945	XLogP3	0.1
197148	Isotope_Atom_Count	0
2724159	Defined_Atom_Stereo_Count	1
121888	Isotope_Atom_Count	0
17691	Exact_Mass	96.057514874
157857	Defined_Atom_Stereo_Count	0
20871316	Hydrogen_Bond_Donor_Count	1
881	Molecular_Weight	15.035
42665	Covalent_Unit_Count	1
11107	Mono_Isotopic_Weight	156.068748264
44339089	Molecular_Weight	496.7
76153	Defined_Atom_Stereo_Count	0
42632610	Total_Formal_Charge	0
12313523	Molecular_Weight	222.33
25244760	Rotatable_Bond_Count	1
9952193	Rotatable_Bond_Count	6
107	Defined_Atom_Stereo_Count	0
20062234	Molecular_Weight	111.14
391974	Total_Formal_Charge	0
146159250	Undefined_Atom_Stereo_Count	17
13155711	Defined_Bond_Stereo_Count	0
6307	Exact_Mass	289.0287901
18768052	Defined_Atom_Stereo_Count	0
163201191	Structure_Complexity	99.7
73958	Mono_Isotopic_Weight	110.073164938
35754	Isotope_Atom_Count	0
15027981	XLogP3-AA	1
12304	Exact_Mass	102.104465066
72200930	TPSA	83.8
40	Total_Formal_Charge	0
135527764	Hydrogen_Bond_Acceptor_Count	4
11469055	Covalent_Unit_Count	1
159924	TPSA	92.1
32801	Covalent_Unit_Count	1
134689739	Exact_Mass	532.07225596
484646	Mono_Isotopic_Weight	501.32160889
24978553	Isotope_Atom_Count	0
694856	Isotope_Atom_Count	0
413544	XLogP3-AA	3.2
17904805	TPSA	40.5
25271884	Hydrogen_Bond_Donor_Count	1
5326	TPSA	116
101099404	Mono_Isotopic_Weight	416.32904526
13950369	Rotatable_Bond_Count	3
74484	Hydrogen_Bond_Acceptor_Count	5
162172	Molecular_Weight	276.37
574037	Undefined_Atom_Stereo_Count	0
2734176	Exact_Mass	281.07680542
10138259	Isotope_Atom_Count	0
135400189	Structure_Complexity	854
30529	Molecular_Weight	227.5
5280891	XLogP3-AA	2.6
12920383	Defined_Atom_Stereo_Count	0
694876	Non-hydrogen_Atom_Count	14
904857	Isotope_Atom_Count	0
54576693	Isotope_Atom_Count	0
122174042	Molecular_Weight	828.0
5281758	Structure_Complexity	203
71057888	Defined_Atom_Stereo_Count	11
96029	Undefined_Bond_Stereo_Count	0
12702016	Hydrogen_Bond_Donor_Count	0
6957672	Non-hydrogen_Atom_Count	30
25245167	Exact_Mass	122.98472060
193390	Total_Formal_Charge	0
85613150	Molecular_Weight	116.16
10290744	Total_Formal_Charge	0
3512	Mono_Isotopic_Weight	352.0713660
15054176	TPSA	58.7
54360	Non-hydrogen_Atom_Count	28
4019	Mono_Isotopic_Weight	405.14323607
20209124	Defined_Bond_Stereo_Count	0
62583	Isotope_Atom_Count	0
81540	Total_Formal_Charge	0
4595	Defined_Atom_Stereo_Count	0
12962854	Undefined_Bond_Stereo_Count	0
8843	Mono_Isotopic_Weight	152.120115130
70500258	Undefined_Atom_Stereo_Count	1
135509147	Structure_Complexity	754
139383946	Mono_Isotopic_Weight	112.063662883
147059143	Non-hydrogen_Atom_Count	7
10857507	Hydrogen_Bond_Donor_Count	6
44324941	TPSA	69.2
6915732	Hydrogen_Bond_Donor_Count	5
17049	Tautomer_Count	1
2825062	XLogP3-AA	3.5
16134627	Molecular_Weight	1816.7
64617	Non-hydrogen_Atom_Count	20
13054843	Molecular_Weight	111.10
21875354	Structure_Complexity	103
398517	XLogP3-AA	2.5
3372845	Hydrogen_Bond_Donor_Count	1
14803	Molecular_Weight	77.978
6917852	Molecular_Weight	663.6
68016	Molecular_Weight	135.14
259992	Defined_Bond_Stereo_Count	0
11194305	Structure_Complexity	170
54315893	Defined_Atom_Stereo_Count	0
131674879	Total_Formal_Charge	0
87689	XLogP3-AA	6.3
115080585	Mono_Isotopic_Weight	112.027277375
22024814	Molecular_Weight	98.14
10931404	Structure_Complexity	98.7
71432915	Total_Formal_Charge	0
69391	XLogP3-AA	0.4
64764	Undefined_Bond_Stereo_Count	0
9793992	Covalent_Unit_Count	1
67128499	Hydrogen_Bond_Donor_Count	2
4097	Defined_Bond_Stereo_Count	0
10986	Defined_Bond_Stereo_Count	0
55253420	Exact_Mass	99.104799419
28951063	Structure_Complexity	94.4
12362	Defined_Bond_Stereo_Count	0
9859	Isotope_Atom_Count	0
129627816	Undefined_Bond_Stereo_Count	0
157049289	Molecular_Weight	1422.7
69065203	Hydrogen_Bond_Donor_Count	0
16238	Rotatable_Bond_Count	1
11029761	Rotatable_Bond_Count	1
31331	Covalent_Unit_Count	1
74651	Mono_Isotopic_Weight	166.062994177
45026	Mono_Isotopic_Weight	293.16270821
91746262	Structure_Complexity	382
42641863	Isotope_Atom_Count	0
25111945	Covalent_Unit_Count	1
33068	Tautomer_Count	3
9865929	Isotope_Atom_Count	0
119086018	Defined_Atom_Stereo_Count	0
71455486	Undefined_Atom_Stereo_Count	0
77232	Defined_Atom_Stereo_Count	0
8276	Undefined_Atom_Stereo_Count	0
54676860	Covalent_Unit_Count	1
51556	Hydrogen_Bond_Donor_Count	1
68026923	XLogP3-AA	1.2
62274	Covalent_Unit_Count	1
18924037	Non-hydrogen_Atom_Count	8
446056	Total_Formal_Charge	0
82528	Hydrogen_Bond_Donor_Count	0
229295	Mono_Isotopic_Weight	410.28209507
11750009	Defined_Bond_Stereo_Count	0
71743826	Exact_Mass	112.088815002
118511060	Hydrogen_Bond_Donor_Count	2
94204	Molecular_Weight	440.7
9884642	Defined_Bond_Stereo_Count	0
6574	Exact_Mass	131.930033
45116623	Defined_Atom_Stereo_Count	0
126	Hydrogen_Bond_Acceptor_Count	2
94671	Tautomer_Count	1
520721	Defined_Bond_Stereo_Count	0
21918081	Exact_Mass	97.052763847
701621	Mono_Isotopic_Weight	329.08634960
6606	TPSA	20.2
129638548	Rotatable_Bond_Count	0
3483736	Molecular_Weight	60.12
6436605	Defined_Bond_Stereo_Count	1
23675947	Structure_Complexity	437
13034799	Exact_Mass	98.048012819
17792660	Mono_Isotopic_Weight	217.121512110
441244	Defined_Atom_Stereo_Count	0
129760006	Molecular_Weight	1930.4
20299950	Molecular_Weight	114.17
70647795	Hydrogen_Bond_Acceptor_Count	1
611887	Exact_Mass	229.110278721
147304866	Undefined_Atom_Stereo_Count	0
10799	Mono_Isotopic_Weight	348.066641
38350	Molecular_Weight	321.4
23054502	Defined_Atom_Stereo_Count	0
46238536	XLogP3-AA	4.2
8180	Mono_Isotopic_Weight	186.161979940
72200065	Covalent_Unit_Count	1
122235961	Molecular_Weight	101.15
457035	Defined_Atom_Stereo_Count	0
12738	Structure_Complexity	574
6973664	XLogP3-AA	3
130025741	Rotatable_Bond_Count	2
73707	Exact_Mass	575.6805
67356	Undefined_Bond_Stereo_Count	0
21622656	Defined_Atom_Stereo_Count	0
179	Rotatable_Bond_Count	1
21322859	Hydrogen_Bond_Acceptor_Count	1
54285963	XLogP3-AA	3.6
89226742	Hydrogen_Bond_Acceptor_Count	2
164026416	Total_Formal_Charge	0
502	Total_Formal_Charge	0
12285873	Tautomer_Count	1
135761165	Rotatable_Bond_Count	7
11423561	Rotatable_Bond_Count	0
119177	Isotope_Atom_Count	0
12228	Total_Formal_Charge	0
130026523	Hydrogen_Bond_Donor_Count	0
123600	Defined_Atom_Stereo_Count	1
5386	Non-hydrogen_Atom_Count	14
12290023	Total_Formal_Charge	0
8667	Structure_Complexity	235
298391	Defined_Atom_Stereo_Count	0
10796718	Non-hydrogen_Atom_Count	8
24883466	Rotatable_Bond_Count	15
3041256	Covalent_Unit_Count	1
447021	Hydrogen_Bond_Acceptor_Count	7
1897	TPSA	77.8
60207729	Hydrogen_Bond_Donor_Count	1
16238	Hydrogen_Bond_Acceptor_Count	0
141993	Total_Formal_Charge	0
706485	Isotope_Atom_Count	0
154067559	Hydrogen_Bond_Donor_Count	0
170249	Total_Formal_Charge	0
129864959	Molecular_Weight	292.4
4454	Defined_Atom_Stereo_Count	0
59918	Exact_Mass	592.3310822
67849	Undefined_Bond_Stereo_Count	0
22315763	Undefined_Atom_Stereo_Count	0
11689	Exact_Mass	489.88745
15099876	Mono_Isotopic_Weight	92.037448136
86790	Non-hydrogen_Atom_Count	7
447078	Exact_Mass	747.57780557
601401	Hydrogen_Bond_Donor_Count	0
1308	Molecular_Weight	352.4
91610	Defined_Atom_Stereo_Count	0
2583694	Undefined_Bond_Stereo_Count	0
73167270	Mono_Isotopic_Weight	113.084063974
45410	Rotatable_Bond_Count	12
19784166	Total_Formal_Charge	0
74735	Defined_Bond_Stereo_Count	0
8875	Structure_Complexity	451
11542782	Hydrogen_Bond_Acceptor_Count	2
65370	Total_Formal_Charge	0
45270539	Undefined_Atom_Stereo_Count	0
41022	Hydrogen_Bond_Donor_Count	3
25142043	Mono_Isotopic_Weight	408.19615422
6436606	Undefined_Bond_Stereo_Count	0
129696858	Undefined_Bond_Stereo_Count	0
22022636	Defined_Bond_Stereo_Count	0
5353985	Isotope_Atom_Count	0
32266	Molecular_Weight	361.8
7058062	Structure_Complexity	128
527072	Structure_Complexity	282
165506	XLogP3	2.8
7385	Undefined_Bond_Stereo_Count	0
2734678	Isotope_Atom_Count	0
122850	Undefined_Atom_Stereo_Count	0
59471606	Structure_Complexity	114
101321425	Undefined_Bond_Stereo_Count	0
165154847	Hydrogen_Bond_Acceptor_Count	2
7870	Molecular_Weight	118.17
15099876	Isotope_Atom_Count	0
90488914	TPSA	272
21021478	Mono_Isotopic_Weight	99.104799419
9524	Non-hydrogen_Atom_Count	7
71584541	Mono_Isotopic_Weight	399.16952493
5500	Defined_Atom_Stereo_Count	0
87645235	Total_Formal_Charge	0
23661867	Undefined_Bond_Stereo_Count	0
4365	Molecular_Weight	324.4
20478723	Hydrogen_Bond_Donor_Count	0
528127	Hydrogen_Bond_Acceptor_Count	2
2999413	Total_Formal_Charge	0
963424	Non-hydrogen_Atom_Count	21
5742673	Defined_Atom_Stereo_Count	2
71306828	Hydrogen_Bond_Acceptor_Count	14
129794341	XLogP3-AA	0.1
47462	Undefined_Atom_Stereo_Count	0
129533	Exact_Mass	254.09027155
103002	Defined_Atom_Stereo_Count	0
3462	Exact_Mass	394.27192431
50077	Total_Formal_Charge	0
41787	Defined_Bond_Stereo_Count	0
50009	Molecular_Weight	334.15
9841863	Exact_Mass	361.10489686
139637653	TPSA	40.5
5362858	Undefined_Atom_Stereo_Count	1
60974	Undefined_Bond_Stereo_Count	1
56840960	Undefined_Atom_Stereo_Count	1
104730	Defined_Atom_Stereo_Count	0
22263	Mono_Isotopic_Weight	146.141913202
2090	TPSA	178
102601816	Defined_Bond_Stereo_Count	0
57560	Total_Formal_Charge	0
89033918	TPSA	41.1
57475673	Molecular_Weight	125.4
44669160	Defined_Atom_Stereo_Count	0
11430	Covalent_Unit_Count	3
43883	Non-hydrogen_Atom_Count	26
101988841	Rotatable_Bond_Count	0
11137085	Covalent_Unit_Count	2
53346589	Covalent_Unit_Count	1
148335	Defined_Bond_Stereo_Count	0
138971	Hydrogen_Bond_Donor_Count	0
2021	Mono_Isotopic_Weight	332.15835111
8035	Undefined_Bond_Stereo_Count	0
45875	Total_Formal_Charge	0
62328	TPSA	26.3
163872483	Undefined_Bond_Stereo_Count	0
65834	TPSA	20.3
39299	Undefined_Bond_Stereo_Count	0
151248	Exact_Mass	233.9865910
101649230	Non-hydrogen_Atom_Count	19
20764676	Structure_Complexity	116
9948	Hydrogen_Bond_Acceptor_Count	1
59058905	Hydrogen_Bond_Donor_Count	0
12699188	Hydrogen_Bond_Donor_Count	2
40855	Covalent_Unit_Count	1
221961	Total_Formal_Charge	0
5311217	Covalent_Unit_Count	1
439935	Undefined_Atom_Stereo_Count	0
27914	Undefined_Bond_Stereo_Count	0
23634441	Exact_Mass	306.0407345
59295968	Exact_Mass	487.1674122
5315659	Exact_Mass	316.240230259
183559	Undefined_Atom_Stereo_Count	0
10104005	TPSA	38.4
4369325	Defined_Atom_Stereo_Count	0
50491	Undefined_Bond_Stereo_Count	0
34081	Molecular_Weight	640.6
7130	Defined_Atom_Stereo_Count	0
33498	Exact_Mass	214.04121336
224844	XLogP3-AA	2.3
56036	Hydrogen_Bond_Acceptor_Count	4
85838693	Isotope_Atom_Count	0
19169	Molecular_Weight	114.14
97868	XLogP3	1.6
7886	Mono_Isotopic_Weight	219.0427227
129680036	Molecular_Weight	98.47
44414775	Hydrogen_Bond_Acceptor_Count	6
7098662	Defined_Atom_Stereo_Count	10
750179	Covalent_Unit_Count	1
35687	Undefined_Bond_Stereo_Count	2
14049689	Defined_Bond_Stereo_Count	0
161094262	Structure_Complexity	15.5
546877	Molecular_Weight	103.16
157903531	Defined_Atom_Stereo_Count	0
447508	Defined_Bond_Stereo_Count	0
7230	Mono_Isotopic_Weight	238.05984080
51948	Exact_Mass	297.18143228
524766	Mono_Isotopic_Weight	95.073499291
17109	Tautomer_Count	1
69332601	Undefined_Bond_Stereo_Count	0
2507	Undefined_Atom_Stereo_Count	1
2079	Non-hydrogen_Atom_Count	14
5464344	Defined_Atom_Stereo_Count	3
3048	XLogP3-AA	3.7
19077501	Molecular_Weight	390.8
60322	Molecular_Weight	434.3
81981	Total_Formal_Charge	0
21496049	Defined_Atom_Stereo_Count	0
3642	Rotatable_Bond_Count	6
62332	Exact_Mass	242.094294304
649852	Total_Formal_Charge	0
55289386	Defined_Bond_Stereo_Count	0
71027	Molecular_Weight	208.25
66117	Isotope_Atom_Count	0
77603	Hydrogen_Bond_Acceptor_Count	2
483407	Molecular_Weight	513.7
23567795	Covalent_Unit_Count	1
15983810	Defined_Atom_Stereo_Count	0
273579	Total_Formal_Charge	0
22977906	Undefined_Bond_Stereo_Count	0
27582	XLogP3	3.5
57825223	Covalent_Unit_Count	1
6604876	Covalent_Unit_Count	1
139291703	Non-hydrogen_Atom_Count	60
7012	XLogP3-AA	2.3
84571	Defined_Bond_Stereo_Count	0
53032	Structure_Complexity	491
18747	XLogP3	3.1
34829729	Mono_Isotopic_Weight	475.15413268
289539	Rotatable_Bond_Count	0
71986	Exact_Mass	284.0927701
25166913	Structure_Complexity	595
16726085	Isotope_Atom_Count	0
522549	Undefined_Atom_Stereo_Count	2
20710	Molecular_Weight	305.4
11169170	TPSA	162
70687331	Isotope_Atom_Count	0
64645	Defined_Bond_Stereo_Count	0
74348	Defined_Atom_Stereo_Count	0
8035	Hydrogen_Bond_Acceptor_Count	2
59665407	Isotope_Atom_Count	0
5284369	Exact_Mass	253.110278721
22817	Hydrogen_Bond_Acceptor_Count	1
43834223	TPSA	97.6
3899	Rotatable_Bond_Count	2
883785	Defined_Bond_Stereo_Count	0
22842	Isotope_Atom_Count	0
96090	Defined_Bond_Stereo_Count	0
70684821	Isotope_Atom_Count	0
9816483	Hydrogen_Bond_Acceptor_Count	3
2955894	Covalent_Unit_Count	1
5248048	Hydrogen_Bond_Acceptor_Count	1
123964	Hydrogen_Bond_Donor_Count	1
44324651	Covalent_Unit_Count	1
97735	Rotatable_Bond_Count	1
3042	Undefined_Atom_Stereo_Count	0
123835510	Isotope_Atom_Count	0
12452686	Hydrogen_Bond_Acceptor_Count	2
53817503	Isotope_Atom_Count	0
475	Isotope_Atom_Count	0
71785	Total_Formal_Charge	0
139782102	Non-hydrogen_Atom_Count	7
14352519	Exact_Mass	109.052763847
73005	Defined_Atom_Stereo_Count	0
54797	Undefined_Atom_Stereo_Count	0
449517	Rotatable_Bond_Count	27
5483624	Hydrogen_Bond_Acceptor_Count	2
4568	Total_Formal_Charge	0
134823960	Non-hydrogen_Atom_Count	19
3219590	Hydrogen_Bond_Acceptor_Count	5
70697365	Undefined_Atom_Stereo_Count	0
13808289	Undefined_Bond_Stereo_Count	0
139307343	Undefined_Atom_Stereo_Count	1
60936	Undefined_Atom_Stereo_Count	0
637930	Defined_Bond_Stereo_Count	1
529229	TPSA	49.7
5360515	Total_Formal_Charge	0
165331	Exact_Mass	152.99182081
45857	Exact_Mass	289.1000197
65844	Defined_Bond_Stereo_Count	0
22219016	Non-hydrogen_Atom_Count	35
129652019	Defined_Bond_Stereo_Count	0
25134692	Non-hydrogen_Atom_Count	35
3245	Defined_Bond_Stereo_Count	0
146160179	Hydrogen_Bond_Acceptor_Count	10
145706202	Total_Formal_Charge	0
1516	Hydrogen_Bond_Donor_Count	3
74096	Covalent_Unit_Count	1
16065257	Exact_Mass	428.15584919
68837	Isotope_Atom_Count	0
53944814	Undefined_Bond_Stereo_Count	0
659009	Mono_Isotopic_Weight	313.14264148
59694	Exact_Mass	259.0876252
18467	Rotatable_Bond_Count	1
7315	Hydrogen_Bond_Donor_Count	2
398635	Mono_Isotopic_Weight	361.0730377
46910264	Defined_Bond_Stereo_Count	0
7435	Tautomer_Count	1
503760	XLogP3-AA	4.8
139585852	Covalent_Unit_Count	1
3960	Covalent_Unit_Count	1
114946	Total_Formal_Charge	0
68198	Rotatable_Bond_Count	7
86855	Covalent_Unit_Count	1
16760153	Defined_Bond_Stereo_Count	0
45026	Isotope_Atom_Count	0
94706	Covalent_Unit_Count	1
57887199	Defined_Atom_Stereo_Count	0
68675439	Undefined_Bond_Stereo_Count	0
18049	Total_Formal_Charge	0
40467346	Structure_Complexity	830
11679800	Tautomer_Count	1
44201342	Undefined_Atom_Stereo_Count	0
145721938	Hydrogen_Bond_Acceptor_Count	5
57400316	Mono_Isotopic_Weight	399.17181056
441404	XLogP3	6.4
18618975	Non-hydrogen_Atom_Count	8
6537488	Covalent_Unit_Count	1
40784491	Hydrogen_Bond_Acceptor_Count	2
12029691	XLogP3-AA	4.9
163050684	Total_Formal_Charge	0
24946104	Rotatable_Bond_Count	7
819440	Defined_Bond_Stereo_Count	0
62383	Undefined_Atom_Stereo_Count	0
11708045	Isotope_Atom_Count	0
50944	Molecular_Weight	245.25
24900750	Hydrogen_Bond_Donor_Count	5
88267	Hydrogen_Bond_Acceptor_Count	1
134826477	Exact_Mass	765.14826780
15938963	Covalent_Unit_Count	1
10032582	Undefined_Atom_Stereo_Count	0
5280933	XLogP3-AA	5.9
134941235	Isotope_Atom_Count	0
4235	Isotope_Atom_Count	0
57399910	Defined_Atom_Stereo_Count	0
164667083	Molecular_Weight	303.35
65228	Molecular_Weight	495.0
10470290	Mono_Isotopic_Weight	304.10725903
59392388	Undefined_Atom_Stereo_Count	0
214347	Molecular_Weight	329.4
3153	Undefined_Bond_Stereo_Count	0
7304	Exact_Mass	81.057849228
1372	Molecular_Weight	309.4
6438129	Rotatable_Bond_Count	7
79642	Molecular_Weight	231.63
72271	Structure_Complexity	935
137699054	Covalent_Unit_Count	1
154091501	Undefined_Atom_Stereo_Count	2
32803	XLogP3-AA	0.6
56841980	Hydrogen_Bond_Donor_Count	5
32490	Rotatable_Bond_Count	7
81729	Defined_Atom_Stereo_Count	0
15965	Hydrogen_Bond_Donor_Count	2
141120290	Exact_Mass	110.011627311
54581	Undefined_Bond_Stereo_Count	0
4888	TPSA	59.4
13382	Undefined_Bond_Stereo_Count	0
7793	Isotope_Atom_Count	0
40477	XLogP3	7.4
18755630	Hydrogen_Bond_Acceptor_Count	1
154983	Tautomer_Count	1
85588	Isotope_Atom_Count	0
76658	TPSA	66.8
689043	Total_Formal_Charge	0
20072484	Undefined_Bond_Stereo_Count	0
129662986	Defined_Atom_Stereo_Count	0
5384876	Exact_Mass	653.21084017
691409	Hydrogen_Bond_Acceptor_Count	5
9300	Undefined_Bond_Stereo_Count	0
2063927	Defined_Atom_Stereo_Count	0
6787	Molecular_Weight	418.6
406793	Molecular_Weight	527.6
8954	Exact_Mass	447.98093826
22607	Defined_Bond_Stereo_Count	0
21651	Hydrogen_Bond_Acceptor_Count	6
34767	Molecular_Weight	171.19
5367805	Exact_Mass	100.063662883
6986	Total_Formal_Charge	0
287071	Mono_Isotopic_Weight	111.068413911
10458325	Hydrogen_Bond_Donor_Count	1
5487313	Undefined_Bond_Stereo_Count	0
49869040	Rotatable_Bond_Count	3
18506428	Defined_Bond_Stereo_Count	0
31224	Defined_Bond_Stereo_Count	0
3586	Hydrogen_Bond_Acceptor_Count	4
60196384	Mono_Isotopic_Weight	283.07970
4369491	Hydrogen_Bond_Acceptor_Count	3
10775424	Exact_Mass	222.198365449
7643	Hydrogen_Bond_Donor_Count	0
14953847	Molecular_Weight	114.14
121825	Mono_Isotopic_Weight	235.00630502
5282182	Hydrogen_Bond_Donor_Count	0
17816	Defined_Bond_Stereo_Count	0
71222	Hydrogen_Bond_Acceptor_Count	6
71584056	Exact_Mass	455.19911098
53323075	Structure_Complexity	838
19773393	TPSA	25.2
86063	Non-hydrogen_Atom_Count	13
93286	Defined_Bond_Stereo_Count	0
11203271	Defined_Atom_Stereo_Count	0
129027658	Defined_Bond_Stereo_Count	0
313196	Defined_Bond_Stereo_Count	0
23712863	Undefined_Bond_Stereo_Count	0
2310	Mono_Isotopic_Weight	155.094628657
57395267	XLogP3-AA	4.3
18981712	Structure_Complexity	45.9
13327304	Defined_Atom_Stereo_Count	0
550825	Isotope_Atom_Count	0
10197650	Rotatable_Bond_Count	2
138024	Hydrogen_Bond_Donor_Count	0
5838	Rotatable_Bond_Count	2
16052039	Isotope_Atom_Count	0
20349001	Structure_Complexity	88
2777083	TPSA	17.1
89421960	TPSA	29.5
6857473	Hydrogen_Bond_Acceptor_Count	0
14010989	Defined_Atom_Stereo_Count	0
131855729	TPSA	12.5
427842	Covalent_Unit_Count	1
5494414	Isotope_Atom_Count	0
253350	Isotope_Atom_Count	0
72131	Defined_Atom_Stereo_Count	5
12513422	Total_Formal_Charge	0
9922187	Exact_Mass	295.168462302
56842070	Defined_Bond_Stereo_Count	0
9800194	Exact_Mass	383.09734851
11065	Defined_Bond_Stereo_Count	0
43636	Rotatable_Bond_Count	0
91591	Defined_Atom_Stereo_Count	0
51003123	Covalent_Unit_Count	1
170018	Undefined_Bond_Stereo_Count	0
102447462	Hydrogen_Bond_Donor_Count	5
6518168	Mono_Isotopic_Weight	1134.3697639
8360	Non-hydrogen_Atom_Count	11
543880	Rotatable_Bond_Count	0
18608	Molecular_Weight	208.26
4506	Undefined_Bond_Stereo_Count	0
10029385	Structure_Complexity	1030
58227482	Hydrogen_Bond_Acceptor_Count	2
12204059	Undefined_Atom_Stereo_Count	4
9909054	Total_Formal_Charge	0
85984887	Exact_Mass	81.021463719
54359	Non-hydrogen_Atom_Count	28
53701	Undefined_Bond_Stereo_Count	0
135400916	Undefined_Bond_Stereo_Count	0
23914	Isotope_Atom_Count	0
5284643	Hydrogen_Bond_Donor_Count	1
3032396	Covalent_Unit_Count	1
4177	XLogP3-AA	3.7
153852218	Hydrogen_Bond_Acceptor_Count	2
57823090	Undefined_Atom_Stereo_Count	0
28125489	Undefined_Bond_Stereo_Count	0
3146673	Covalent_Unit_Count	1
12594	Isotope_Atom_Count	0
2512	Hydrogen_Bond_Donor_Count	2
148202	Total_Formal_Charge	0
53670643	Mono_Isotopic_Weight	114.042927438
49865494	Defined_Atom_Stereo_Count	0
13385	Undefined_Bond_Stereo_Count	0
59290	Undefined_Atom_Stereo_Count	5
22316388	Molecular_Weight	108.10
27713	Molecular_Weight	271.74
31202	TPSA	0
16220118	Hydrogen_Bond_Acceptor_Count	3
5470	XLogP3-AA	2.4
101687487	Defined_Atom_Stereo_Count	0
10232719	Undefined_Bond_Stereo_Count	0
56626310	Isotope_Atom_Count	0
24096961	TPSA	45.6
13207481	Rotatable_Bond_Count	2
779642	Defined_Atom_Stereo_Count	0
11443	Non-hydrogen_Atom_Count	13
60822	Defined_Bond_Stereo_Count	0
5876	Total_Formal_Charge	0
57484773	Hydrogen_Bond_Donor_Count	0
13487238	Defined_Atom_Stereo_Count	0
17111	TPSA	29.5
11006945	Defined_Bond_Stereo_Count	0
10295970	Structure_Complexity	523
23103366	Defined_Atom_Stereo_Count	0
13615995	XLogP3	0.1
11586912	Total_Formal_Charge	0
138203	Undefined_Bond_Stereo_Count	0
6324103	Hydrogen_Bond_Acceptor_Count	2
10750	Hydrogen_Bond_Donor_Count	4
51030898	Undefined_Bond_Stereo_Count	0
25799416	Defined_Bond_Stereo_Count	0
95308	Isotope_Atom_Count	0
66603	Defined_Atom_Stereo_Count	0
44404643	Total_Formal_Charge	0
62872	XLogP3	7.3
61048	Defined_Atom_Stereo_Count	0
4292413	Molecular_Weight	271.44
2724189	Tautomer_Count	2
72913	Exact_Mass	118.053098200
79790	Undefined_Bond_Stereo_Count	0
71300630	Hydrogen_Bond_Acceptor_Count	28
70678106	TPSA	186
3423265	Covalent_Unit_Count	2
44629593	Structure_Complexity	844
59630	Molecular_Weight	297.5
66330	Total_Formal_Charge	0
59712821	Mono_Isotopic_Weight	112.088815002
65730	Isotope_Atom_Count	0
833854	Structure_Complexity	338
11062802	Molecular_Weight	168.28
135566371	Hydrogen_Bond_Donor_Count	2
71451390	Rotatable_Bond_Count	8
6418719	Isotope_Atom_Count	0
54582513	XLogP3-AA	4.1
74724	Total_Formal_Charge	0
59761113	Non-hydrogen_Atom_Count	7
4858	Rotatable_Bond_Count	3
23362267	XLogP3-AA	0.3
15460	TPSA	0
21702818	Molecular_Weight	109.13
6080476	Defined_Bond_Stereo_Count	4
247573	Structure_Complexity	270
23690938	Molecular_Weight	353.3
29920194	Non-hydrogen_Atom_Count	8
91412269	Structure_Complexity	262
4126474	Undefined_Bond_Stereo_Count	0
19438038	Isotope_Atom_Count	0
19972	Defined_Atom_Stereo_Count	4
23724965	Molecular_Weight	439.0
43173	Hydrogen_Bond_Donor_Count	3
6097177	Hydrogen_Bond_Acceptor_Count	6
129866213	Total_Formal_Charge	0
14964043	Rotatable_Bond_Count	0
833466	TPSA	83
135814	Mono_Isotopic_Weight	296.17360725
21387	Hydrogen_Bond_Acceptor_Count	1
6977166	Hydrogen_Bond_Donor_Count	0
25150856	Isotope_Atom_Count	0
112711235	Structure_Complexity	77.7
133268467	Hydrogen_Bond_Acceptor_Count	3
20547	Rotatable_Bond_Count	2
3035267	Exact_Mass	462.1339835
9848	Mono_Isotopic_Weight	87.048427358
12546246	Rotatable_Bond_Count	1
16117309	Isotope_Atom_Count	0
216261	Tautomer_Count	4
74089	Isotope_Atom_Count	0
12255652	Mono_Isotopic_Weight	328.26135963
443003	Rotatable_Bond_Count	1
5329016	Total_Formal_Charge	0
81512	Non-hydrogen_Atom_Count	7
58854	Structure_Complexity	217
85538179	Undefined_Atom_Stereo_Count	0
123542114	Isotope_Atom_Count	0
2319	Total_Formal_Charge	0
300312	Covalent_Unit_Count	1
67375395	Hydrogen_Bond_Donor_Count	2
52660	Undefined_Atom_Stereo_Count	3
26398	Total_Formal_Charge	0
63418	Total_Formal_Charge	0
155903168	Non-hydrogen_Atom_Count	61
43515	Total_Formal_Charge	0
21364	Defined_Atom_Stereo_Count	0
39648	Rotatable_Bond_Count	9
21693	Rotatable_Bond_Count	10
38627	Defined_Atom_Stereo_Count	0
69845	Undefined_Bond_Stereo_Count	0
102233552	Total_Formal_Charge	0
5311449	Non-hydrogen_Atom_Count	44
135515430	Undefined_Bond_Stereo_Count	0
444853	Mono_Isotopic_Weight	460.20971797
56948527	Tautomer_Count	21
18329130	Undefined_Bond_Stereo_Count	0
54758501	Structure_Complexity	712
1400243	Hydrogen_Bond_Acceptor_Count	1
6339	Isotope_Atom_Count	0
87244770	Molecular_Weight	116.11
11005	Hydrogen_Bond_Acceptor_Count	2
44242317	Non-hydrogen_Atom_Count	42
6432061	Covalent_Unit_Count	1
23666879	Hydrogen_Bond_Donor_Count	2
16757547	Defined_Atom_Stereo_Count	0
70729	Rotatable_Bond_Count	0
54598431	Rotatable_Bond_Count	0
1954	Defined_Atom_Stereo_Count	0
10329273	Non-hydrogen_Atom_Count	8
544	Hydrogen_Bond_Donor_Count	0
24411	Hydrogen_Bond_Acceptor_Count	1
12971800	Defined_Atom_Stereo_Count	1
90432	Exact_Mass	305.1182566
61701	Hydrogen_Bond_Donor_Count	0
72138	Undefined_Atom_Stereo_Count	0
135402009	Defined_Atom_Stereo_Count	0
6321432	Defined_Bond_Stereo_Count	1
135449331	Non-hydrogen_Atom_Count	41
426756	Isotope_Atom_Count	0
534566	Tautomer_Count	3
69437	Isotope_Atom_Count	0
157396	Molecular_Weight	267.3
3052	Undefined_Bond_Stereo_Count	0
6327546	Rotatable_Bond_Count	4
11102	TPSA	38.2
5480230	XLogP3-AA	3.2
102029	Total_Formal_Charge	0
52948154	XLogP3-AA	4.6
44590341	Undefined_Atom_Stereo_Count	1
21218701	Covalent_Unit_Count	1
256	XLogP3-AA	16
3911	Isotope_Atom_Count	0
25912	Undefined_Atom_Stereo_Count	0
5288101	Mono_Isotopic_Weight	410.08790257
2193	Isotope_Atom_Count	0
52918379	Non-hydrogen_Atom_Count	68
3634	Structure_Complexity	443
235269	Defined_Bond_Stereo_Count	0
12699188	Exact_Mass	100.100048391
22157549	Hydrogen_Bond_Donor_Count	0
2723704	Hydrogen_Bond_Acceptor_Count	1
3036656	Non-hydrogen_Atom_Count	40
80507	Mono_Isotopic_Weight	104.047344113
121540648	Undefined_Atom_Stereo_Count	0
21391664	Mono_Isotopic_Weight	99.068413911
76507	XLogP3-AA	0
19028568	Hydrogen_Bond_Donor_Count	1
61680	TPSA	63.2
25457	Mono_Isotopic_Weight	326.19156599
3921152	Defined_Atom_Stereo_Count	0
123558404	TPSA	20.3
40467053	Rotatable_Bond_Count	2
11508058	Hydrogen_Bond_Donor_Count	0
7867	Rotatable_Bond_Count	1
6452419	Hydrogen_Bond_Acceptor_Count	2
10302451	Undefined_Atom_Stereo_Count	0
10048011	Hydrogen_Bond_Donor_Count	0
62779	Isotope_Atom_Count	0
16211948	Defined_Bond_Stereo_Count	0
3776	Hydrogen_Bond_Acceptor_Count	1
49784002	Total_Formal_Charge	0
4568795	Exact_Mass	99.068413911
61622	Defined_Bond_Stereo_Count	0
18378694	Total_Formal_Charge	0
60919	Structure_Complexity	625
1264	Hydrogen_Bond_Acceptor_Count	7
6971047	Total_Formal_Charge	0
29773	Undefined_Bond_Stereo_Count	1
11600783	Non-hydrogen_Atom_Count	12
156598427	Defined_Atom_Stereo_Count	0
12160932	Total_Formal_Charge	0
184366	Isotope_Atom_Count	0
124723	Non-hydrogen_Atom_Count	9
5527	Structure_Complexity	464
71463896	Exact_Mass	512.35017463
122376379	XLogP3-AA	6.3
314284	Covalent_Unit_Count	1
89352876	Hydrogen_Bond_Donor_Count	5
23180086	Non-hydrogen_Atom_Count	8
21947035	Molecular_Weight	159.20
44631912	Defined_Atom_Stereo_Count	0
1486	XLogP3	2.8
59252	Undefined_Bond_Stereo_Count	0
68939	Total_Formal_Charge	0
17898	Undefined_Atom_Stereo_Count	0
520802	Tautomer_Count	1
7231	Rotatable_Bond_Count	3
556487	Exact_Mass	94.078250319
4056	Defined_Atom_Stereo_Count	0
87527	Hydrogen_Bond_Donor_Count	1
123242204	Defined_Bond_Stereo_Count	0
78160	Defined_Bond_Stereo_Count	0
12303047	Total_Formal_Charge	0
60982	Tautomer_Count	13
11574638	Defined_Bond_Stereo_Count	0
50100	Total_Formal_Charge	0
54350	Covalent_Unit_Count	2
102518	Isotope_Atom_Count	0
101625661	Non-hydrogen_Atom_Count	29
1056	Mono_Isotopic_Weight	82.053098200
537677	Exact_Mass	100.03851076
1674	Defined_Atom_Stereo_Count	0
18787571	Total_Formal_Charge	0
10184774	XLogP3-AA	3.7
6933312	Isotope_Atom_Count	0
464205	Defined_Atom_Stereo_Count	1
57417458	Undefined_Atom_Stereo_Count	0
6604495	Hydrogen_Bond_Donor_Count	4
1155	Covalent_Unit_Count	1
9233	Undefined_Atom_Stereo_Count	0
5280378	Covalent_Unit_Count	1
90825254	Non-hydrogen_Atom_Count	25
17571562	Rotatable_Bond_Count	3
5280497	Defined_Atom_Stereo_Count	5
54583964	Molecular_Weight	518.6
402875	Undefined_Bond_Stereo_Count	0
5356392	Hydrogen_Bond_Acceptor_Count	16
140083	Hydrogen_Bond_Acceptor_Count	1
453077	XLogP3-AA	3.2
129784240	Structure_Complexity	97.3
6917859	Rotatable_Bond_Count	12
429456	Undefined_Bond_Stereo_Count	0
35023	Molecular_Weight	246.27
21133868	Defined_Bond_Stereo_Count	0
12363650	Exact_Mass	115.026943022
71346048	TPSA	9.2
18952320	Hydrogen_Bond_Acceptor_Count	1
19370943	Rotatable_Bond_Count	1
67259771	Hydrogen_Bond_Acceptor_Count	7
20535613	Structure_Complexity	52
534094	XLogP3-AA	1
53393621	Isotope_Atom_Count	0
1201518	Non-hydrogen_Atom_Count	11
2778339	Isotope_Atom_Count	0
6398969	Isotope_Atom_Count	0
8271	Defined_Bond_Stereo_Count	0
5365055	Undefined_Bond_Stereo_Count	0
16739648	Hydrogen_Bond_Acceptor_Count	3
44230575	Undefined_Bond_Stereo_Count	0
23706212	Defined_Atom_Stereo_Count	0
1306	Rotatable_Bond_Count	15
1053	Tautomer_Count	6
118613234	Rotatable_Bond_Count	1
9823224	XLogP3-AA	5.1
54738	Defined_Bond_Stereo_Count	0
59035	Undefined_Atom_Stereo_Count	0
31265	Structure_Complexity	89.3
2300	Hydrogen_Bond_Acceptor_Count	3
2393	Defined_Atom_Stereo_Count	0
22153558	Undefined_Bond_Stereo_Count	0
136270342	Mono_Isotopic_Weight	99.032028402
471895	Total_Formal_Charge	0
5303	Undefined_Bond_Stereo_Count	0
19951	Undefined_Atom_Stereo_Count	0
448265	Covalent_Unit_Count	4
22563	Undefined_Bond_Stereo_Count	0
20055560	Undefined_Bond_Stereo_Count	0
5288227	XLogP3	1
159384	Defined_Atom_Stereo_Count	0
9050	Rotatable_Bond_Count	2
9908306	Isotope_Atom_Count	0
45784923	Isotope_Atom_Count	0
101649230	Total_Formal_Charge	0
71584165	Exact_Mass	359.13036271
15256279	Undefined_Bond_Stereo_Count	0
44244962	Undefined_Bond_Stereo_Count	0
77833	Structure_Complexity	350
23283068	Mono_Isotopic_Weight	108.093900383
40471	Hydrogen_Bond_Acceptor_Count	0
165675	Mono_Isotopic_Weight	156.151415257
8082	Tautomer_Count	1
158294441	Hydrogen_Bond_Donor_Count	1
25077533	Hydrogen_Bond_Donor_Count	17
251513	Exact_Mass	230.130679813
736858	Non-hydrogen_Atom_Count	12
5363685	Total_Formal_Charge	0
5354499	Hydrogen_Bond_Donor_Count	0
6159	Exact_Mass	317.21549268
25015692	Hydrogen_Bond_Acceptor_Count	9
984456	Defined_Atom_Stereo_Count	0
135564996	Structure_Complexity	780
5284527	Structure_Complexity	838
7088	Defined_Bond_Stereo_Count	0
10931233	Isotope_Atom_Count	0
66711	Molecular_Weight	238.31
166734	Covalent_Unit_Count	1
146159550	Mono_Isotopic_Weight	874.50785703
83694167	TPSA	12
24788740	Rotatable_Bond_Count	6
486543	Defined_Atom_Stereo_Count	0
627774	Hydrogen_Bond_Acceptor_Count	1
44630141	Isotope_Atom_Count	0
85248	Molecular_Weight	135.17
45027815	Molecular_Weight	857.0
45358438	Defined_Bond_Stereo_Count	1
79618	Undefined_Atom_Stereo_Count	0
136183446	TPSA	149
9556	Defined_Atom_Stereo_Count	0
25023847	Molecular_Weight	419.8
87664346	Total_Formal_Charge	0
36689718	Total_Formal_Charge	0
13925	Hydrogen_Bond_Donor_Count	1
62143	Undefined_Atom_Stereo_Count	0
6918572	Structure_Complexity	235
2723755	Hydrogen_Bond_Donor_Count	0
19778484	Structure_Complexity	142
1548971	Exact_Mass	410.17676144
18428533	Covalent_Unit_Count	1
11147714	Defined_Bond_Stereo_Count	0
129734884	TPSA	207
5487888	Total_Formal_Charge	0
131954782	Mono_Isotopic_Weight	1348.60159125
62495	Undefined_Bond_Stereo_Count	0
21802862	Undefined_Atom_Stereo_Count	0
44119980	XLogP3-AA	7.5
6258	Isotope_Atom_Count	0
2374	Structure_Complexity	208
11292963	Defined_Atom_Stereo_Count	6
461279	Mono_Isotopic_Weight	384.01236864
67248938	Total_Formal_Charge	0
483180	Tautomer_Count	1
94543	Structure_Complexity	174
83952	Undefined_Atom_Stereo_Count	0
135565424	Defined_Atom_Stereo_Count	4
67570	Hydrogen_Bond_Acceptor_Count	0
92666	XLogP3-AA	1.6
1566	Isotope_Atom_Count	0
63939	Undefined_Atom_Stereo_Count	0
146256	Undefined_Atom_Stereo_Count	1
22948535	Defined_Bond_Stereo_Count	0
193168	Covalent_Unit_Count	1
92158	Structure_Complexity	807
71308696	Undefined_Atom_Stereo_Count	1
171527	TPSA	21.7
22772	Tautomer_Count	1
1142	Undefined_Atom_Stereo_Count	5
8881	Undefined_Atom_Stereo_Count	0
62943	Exact_Mass	187.0763918
11974213	TPSA	78
122877	TPSA	138
9909054	Structure_Complexity	636
858	Hydrogen_Bond_Donor_Count	0
70034662	Total_Formal_Charge	0
51397976	Isotope_Atom_Count	0
90369	Defined_Atom_Stereo_Count	0
11171	TPSA	64.6
91486	XLogP3-AA	5.8
6411	Hydrogen_Bond_Acceptor_Count	4
10888022	Tautomer_Count	1
88268487	Hydrogen_Bond_Donor_Count	1
14027329	Non-hydrogen_Atom_Count	8
58247652	TPSA	12
11789157	Defined_Bond_Stereo_Count	0
3827	Isotope_Atom_Count	0
5311067	Mono_Isotopic_Weight	376.20498756
20295235	Covalent_Unit_Count	1
23358608	TPSA	56.5
25020797	TPSA	76.4
3180	Covalent_Unit_Count	1
16219903	Non-hydrogen_Atom_Count	44
65557	Structure_Complexity	375
335	Mono_Isotopic_Weight	108.057514874
11966129	Structure_Complexity	1680
1550213	Isotope_Atom_Count	0
135408511	XLogP3-AA	4.5
11575878	Structure_Complexity	612
37109	Isotope_Atom_Count	0
55399	Molecular_Weight	622.8
124224932	Non-hydrogen_Atom_Count	59
18338549	Exact_Mass	111.079647300
3770186	Molecular_Weight	819.9
70695758	Hydrogen_Bond_Donor_Count	2
12452075	Hydrogen_Bond_Donor_Count	0
350445	Structure_Complexity	91.1
16665	XLogP3-AA	4.8
136059	Undefined_Bond_Stereo_Count	0
16132443	Covalent_Unit_Count	1
450840	Non-hydrogen_Atom_Count	22
550525	Undefined_Bond_Stereo_Count	0
13567	Isotope_Atom_Count	0
56950732	Total_Formal_Charge	0
9549179	Non-hydrogen_Atom_Count	23
2331	Hydrogen_Bond_Acceptor_Count	1
656652	Molecular_Weight	283.33
4542	Total_Formal_Charge	0
317679	Rotatable_Bond_Count	3
95169	Undefined_Atom_Stereo_Count	0
52950901	Isotope_Atom_Count	1
38855	Rotatable_Bond_Count	19
1023	Hydrogen_Bond_Donor_Count	4
133085	Defined_Atom_Stereo_Count	0
53914181	Covalent_Unit_Count	1
297812	Total_Formal_Charge	0
3086686	Mono_Isotopic_Weight	398.21180428
24643	Exact_Mass	236.934287
72402	Undefined_Bond_Stereo_Count	0
123298786	Defined_Atom_Stereo_Count	0
38307	Undefined_Bond_Stereo_Count	0
5361202	Structure_Complexity	798
118972006	Undefined_Atom_Stereo_Count	0
24900874	Mono_Isotopic_Weight	417.17222752
22640249	Defined_Bond_Stereo_Count	0
16669	Molecular_Weight	204.31
79067	Hydrogen_Bond_Donor_Count	2
139591683	Total_Formal_Charge	0
26249	XLogP3	4.6
155560570	Undefined_Bond_Stereo_Count	0
12306686	TPSA	77.8
162569	Defined_Bond_Stereo_Count	0
13867380	Defined_Atom_Stereo_Count	0
18635	Molecular_Weight	104.17
4895	Non-hydrogen_Atom_Count	29
5663	Covalent_Unit_Count	1
2322334	Exact_Mass	250.121846464
37933	Rotatable_Bond_Count	11
15559154	Total_Formal_Charge	0
9494	Defined_Atom_Stereo_Count	0
60196271	Covalent_Unit_Count	5
5771	TPSA	450
12931639	Defined_Bond_Stereo_Count	0
13225428	Non-hydrogen_Atom_Count	7
163714395	Defined_Bond_Stereo_Count	0
37427	Tautomer_Count	1
32065	Defined_Atom_Stereo_Count	0
167232	Defined_Bond_Stereo_Count	0
3058503	Isotope_Atom_Count	0
718449	Defined_Atom_Stereo_Count	1
647840	Exact_Mass	337.12602622
151093	Defined_Atom_Stereo_Count	4
86022	Isotope_Atom_Count	0
16131300	Tautomer_Count	489
162127	Exact_Mass	482.36105041
38895	Isotope_Atom_Count	0
63013	Defined_Bond_Stereo_Count	0
12059921	Molecular_Weight	241.11
67938294	Molecular_Weight	95.10
12463	Total_Formal_Charge	0
62334	Isotope_Atom_Count	0
10102486	Structure_Complexity	1640
12515628	Undefined_Bond_Stereo_Count	0
656664	Undefined_Bond_Stereo_Count	0
2735	Undefined_Atom_Stereo_Count	5
12599715	Defined_Bond_Stereo_Count	0
77981	Molecular_Weight	164.20
11434920	Hydrogen_Bond_Acceptor_Count	3
3855171	XLogP3	0.4
5321950	XLogP3-AA	0.9
53867	Isotope_Atom_Count	0
77245	Molecular_Weight	206.28
527855	Isotope_Atom_Count	0
23668192	Rotatable_Bond_Count	1
18684667	Mono_Isotopic_Weight	112.125200510
231405	Isotope_Atom_Count	0
85764696	Molecular_Weight	114.14
59290	TPSA	186
115208	Mono_Isotopic_Weight	393.13111161
12673086	Non-hydrogen_Atom_Count	14
158371	Undefined_Atom_Stereo_Count	0
6005	Tautomer_Count	171
19089601	TPSA	69.1
124012131	TPSA	49.5
98493	Exact_Mass	100.052429494
53736	Exact_Mass	244.157563266
5473268	Non-hydrogen_Atom_Count	27
15972136	Hydrogen_Bond_Donor_Count	0
98047379	Mono_Isotopic_Weight	284.16237386
12309520	Rotatable_Bond_Count	4
76963834	Rotatable_Bond_Count	18
5281249	Undefined_Bond_Stereo_Count	0
155794	Hydrogen_Bond_Donor_Count	1
9865	Tautomer_Count	1
20558	Covalent_Unit_Count	1
6154037	Tautomer_Count	2
5353853	Non-hydrogen_Atom_Count	26
970648	Non-hydrogen_Atom_Count	23
124769751	Isotope_Atom_Count	0
165706199	Total_Formal_Charge	0
5486828	Tautomer_Count	12
225609	Total_Formal_Charge	0
524671	Non-hydrogen_Atom_Count	8
6102731	Undefined_Bond_Stereo_Count	0
10659	Structure_Complexity	243
11412355	Non-hydrogen_Atom_Count	8
45	Hydrogen_Bond_Donor_Count	3
57928403	XLogP3-AA	1.9
16322	Defined_Atom_Stereo_Count	0
62753	XLogP3-AA	10.6
160576	Isotope_Atom_Count	0
99807	Molecular_Weight	292.37
10685477	Structure_Complexity	383
4420	Molecular_Weight	380.78
11381	Hydrogen_Bond_Acceptor_Count	1
91057721	Undefined_Atom_Stereo_Count	1
18554	Structure_Complexity	52.1
135421442	Undefined_Atom_Stereo_Count	0
10405144	Non-hydrogen_Atom_Count	18
10138259	Structure_Complexity	729
118924468	Rotatable_Bond_Count	1
391974	Non-hydrogen_Atom_Count	40
62210	Total_Formal_Charge	0
25144864	Covalent_Unit_Count	3
57417360	Total_Formal_Charge	0
445638	Exact_Mass	254.224580195
190319	Rotatable_Bond_Count	5
123309341	Mono_Isotopic_Weight	110.048012819
46942	Mono_Isotopic_Weight	204.220163521
16211115	Exact_Mass	169.06736854
6426924	Hydrogen_Bond_Acceptor_Count	14
6950286	Covalent_Unit_Count	1
5281612	Undefined_Bond_Stereo_Count	0
83694167	Rotatable_Bond_Count	1
36900	Hydrogen_Bond_Acceptor_Count	3
72200849	Hydrogen_Bond_Donor_Count	4
5324279	Structure_Complexity	25.2
75171	Mono_Isotopic_Weight	146.141913202
60150535	Hydrogen_Bond_Donor_Count	2
20508	Defined_Atom_Stereo_Count	0
9892071	Molecular_Weight	497.6
7696	Total_Formal_Charge	0
5288320	Hydrogen_Bond_Acceptor_Count	5
74760	Hydrogen_Bond_Acceptor_Count	2
2582	Undefined_Atom_Stereo_Count	0
4053	Structure_Complexity	265
3074827	Molecular_Weight	256.34
129627734	Mono_Isotopic_Weight	925.50349992
13594	Rotatable_Bond_Count	0
22791992	Isotope_Atom_Count	0
821629	Non-hydrogen_Atom_Count	17
642376	TPSA	26.3
162883448	Undefined_Bond_Stereo_Count	0
5281078	Mono_Isotopic_Weight	433.21005233
53835394	Non-hydrogen_Atom_Count	8
12132	Defined_Bond_Stereo_Count	0
18546557	Mono_Isotopic_Weight	120.04225873
10443	Hydrogen_Bond_Donor_Count	1
8028	Hydrogen_Bond_Donor_Count	0
2348	Structure_Complexity	653
17298	Rotatable_Bond_Count	5
14969	Hydrogen_Bond_Donor_Count	19
132130914	Total_Formal_Charge	0
95456	Tautomer_Count	2
11446308	Undefined_Atom_Stereo_Count	0
6674	Defined_Atom_Stereo_Count	8
18506396	Covalent_Unit_Count	1
132277953	Defined_Atom_Stereo_Count	0
3047046	Non-hydrogen_Atom_Count	99
13081	Molecular_Weight	342.9
135518082	Rotatable_Bond_Count	1
95809	TPSA	0
10455	Non-hydrogen_Atom_Count	9
24176	Covalent_Unit_Count	1
70837	Hydrogen_Bond_Donor_Count	3
10920483	TPSA	43.4
46879283	Defined_Bond_Stereo_Count	0
5288798	Non-hydrogen_Atom_Count	10
123754760	Defined_Atom_Stereo_Count	0
53670363	Mono_Isotopic_Weight	98.011627311
869	Non-hydrogen_Atom_Count	54
79302	Covalent_Unit_Count	1
11719407	Undefined_Atom_Stereo_Count	0
5327159	Non-hydrogen_Atom_Count	17
162569	Defined_Atom_Stereo_Count	0
5324584	Isotope_Atom_Count	0
11455910	Non-hydrogen_Atom_Count	41
91087911	TPSA	20.2
26956	Isotope_Atom_Count	0
59018485	Hydrogen_Bond_Acceptor_Count	1
13042689	Mono_Isotopic_Weight	112.088815002
66602	Covalent_Unit_Count	1
3017320	Mono_Isotopic_Weight	96.093900383
72670730	Hydrogen_Bond_Acceptor_Count	9
641005	Exact_Mass	116.120115130
25132613	TPSA	77.9
10887866	Total_Formal_Charge	0
87187677	Covalent_Unit_Count	1
68554	Total_Formal_Charge	0
52942108	Total_Formal_Charge	0
570673	Non-hydrogen_Atom_Count	15
57077234	Exact_Mass	112.088815002
44563117	Undefined_Atom_Stereo_Count	0
439358	Defined_Bond_Stereo_Count	0
60612	TPSA	28.7
85047	Structure_Complexity	72.1
705487	XLogP3-AA	4.4
544160	Hydrogen_Bond_Acceptor_Count	2
6440459	Defined_Bond_Stereo_Count	1
5218	Undefined_Bond_Stereo_Count	0
4616292	TPSA	89.7
158	Undefined_Bond_Stereo_Count	2
5288595	Hydrogen_Bond_Acceptor_Count	9
115205	Defined_Atom_Stereo_Count	4
153196846	Hydrogen_Bond_Acceptor_Count	1
206245	XLogP3-AA	1.4
22833295	TPSA	149
131704481	Rotatable_Bond_Count	2
10240797	Structure_Complexity	88.5
70691270	Covalent_Unit_Count	1
15294	Mono_Isotopic_Weight	164.047344113
69663	TPSA	26
2724032	Total_Formal_Charge	0
642623	Undefined_Bond_Stereo_Count	0
10975460	Structure_Complexity	106
6397996	TPSA	0
28754	Tautomer_Count	1
134694358	Structure_Complexity	2000
403829	Defined_Bond_Stereo_Count	0
104926	Hydrogen_Bond_Acceptor_Count	5
4943	Undefined_Bond_Stereo_Count	0
10630437	Defined_Atom_Stereo_Count	0
9919910	Non-hydrogen_Atom_Count	72
7711	Defined_Bond_Stereo_Count	0
726	Structure_Complexity	1530
135438601	Structure_Complexity	208
899	Undefined_Atom_Stereo_Count	5
66591148	Total_Formal_Charge	0
553	Mono_Isotopic_Weight	190.04773803
279305	Defined_Atom_Stereo_Count	0
33360	Hydrogen_Bond_Donor_Count	0
72158	Undefined_Atom_Stereo_Count	1
4557	Isotope_Atom_Count	0
23674098	Mono_Isotopic_Weight	429.0777513
124770288	Defined_Bond_Stereo_Count	5
10034991	Rotatable_Bond_Count	3
6916257	Defined_Atom_Stereo_Count	3
22137869	Isotope_Atom_Count	0
75888	Molecular_Weight	678.7
147707445	Mono_Isotopic_Weight	342.11621151
4652	Mono_Isotopic_Weight	199.0400063
54388248	Mono_Isotopic_Weight	112.088815002
403657	TPSA	54
54278701	Defined_Atom_Stereo_Count	0
468595	Covalent_Unit_Count	1
51051642	Hydrogen_Bond_Acceptor_Count	17
2724235	Defined_Bond_Stereo_Count	0
94320	Defined_Bond_Stereo_Count	0
9531	Defined_Bond_Stereo_Count	0
699107	Defined_Atom_Stereo_Count	0
2763760	Tautomer_Count	1
11147674	Structure_Complexity	119
20472034	Structure_Complexity	156
136430	Structure_Complexity	140
68078	XLogP3-AA	4.7
71834	Mono_Isotopic_Weight	360.0061961
141814359	Hydrogen_Bond_Acceptor_Count	2
135524781	Covalent_Unit_Count	5
135528917	Exact_Mass	444.16966468
6451151	Total_Formal_Charge	0
71679077	Rotatable_Bond_Count	6
57114132	Total_Formal_Charge	0
69111	Covalent_Unit_Count	1
8099	Non-hydrogen_Atom_Count	16
88598	Undefined_Bond_Stereo_Count	0
44591583	Total_Formal_Charge	0
2723610	Exact_Mass	342.11621151
23521244	Structure_Complexity	78
72693	Total_Formal_Charge	0
12720825	Covalent_Unit_Count	1
77313	Isotope_Atom_Count	0
138026	Mono_Isotopic_Weight	80.062600255
18644925	Hydrogen_Bond_Acceptor_Count	4
290670	Undefined_Atom_Stereo_Count	8
5464344	Structure_Complexity	590
14250	Mono_Isotopic_Weight	335.21876
3251	Hydrogen_Bond_Acceptor_Count	6
86446	TPSA	68.8
9548802	Undefined_Bond_Stereo_Count	0
75982	Defined_Bond_Stereo_Count	0
4599	Hydrogen_Bond_Donor_Count	1
86422	Tautomer_Count	1
14872190	Exact_Mass	103.063328530
89800161	Rotatable_Bond_Count	15
6918140	Undefined_Bond_Stereo_Count	0
91272	TPSA	181
6328154	Defined_Atom_Stereo_Count	0
48889	Hydrogen_Bond_Donor_Count	0
79946	TPSA	221
49866022	Isotope_Atom_Count	0
146159661	Undefined_Bond_Stereo_Count	0
185617	Total_Formal_Charge	0
5353636	Mono_Isotopic_Weight	225.03857033
6736	Undefined_Bond_Stereo_Count	0
2734	Hydrogen_Bond_Donor_Count	2
10426	Undefined_Bond_Stereo_Count	0
21953621	Mono_Isotopic_Weight	316.09468823
6436093	Structure_Complexity	470
137994	Covalent_Unit_Count	1
12200169	Hydrogen_Bond_Donor_Count	0
3849	XLogP3-AA	5.9
9802865	Hydrogen_Bond_Acceptor_Count	6
7857	Hydrogen_Bond_Donor_Count	1
81984	TPSA	37.3
53387026	Undefined_Bond_Stereo_Count	0
23253564	Rotatable_Bond_Count	0
9786	Undefined_Bond_Stereo_Count	0
21789	Mono_Isotopic_Weight	191.094628657
104553443	Structure_Complexity	74.8
398632	XLogP3-AA	5
60285	Total_Formal_Charge	0
5890	TPSA	415
54339	Isotope_Atom_Count	0
10178705	Undefined_Atom_Stereo_Count	0
220486	Undefined_Bond_Stereo_Count	0
236666	XLogP3-AA	4
6102790	Hydrogen_Bond_Acceptor_Count	6
4962	XLogP3-AA	0.7
124201874	TPSA	155
20568258	Isotope_Atom_Count	0
71460926	Defined_Bond_Stereo_Count	0
51921894	Non-hydrogen_Atom_Count	23
14200531	Non-hydrogen_Atom_Count	8
63022	Rotatable_Bond_Count	3
58638	TPSA	96.5
134692670	XLogP3-AA	2.7
11027	Structure_Complexity	207
3578945	Covalent_Unit_Count	1
70443535	Structure_Complexity	151
91419129	Covalent_Unit_Count	1
4621	Total_Formal_Charge	0
4043	Defined_Atom_Stereo_Count	0
31365	Total_Formal_Charge	0
160332	Defined_Atom_Stereo_Count	0
12519787	Undefined_Bond_Stereo_Count	0
137995	TPSA	0
148140	Exact_Mass	161.084063974
11326715	XLogP3-AA	2.7
16051951	Undefined_Atom_Stereo_Count	0
68745	Isotope_Atom_Count	0
11817188	Defined_Atom_Stereo_Count	0
38014	Covalent_Unit_Count	1
12049	Non-hydrogen_Atom_Count	7
717505	Total_Formal_Charge	0
13007516	Rotatable_Bond_Count	1
129763261	Rotatable_Bond_Count	0
10757	Rotatable_Bond_Count	2
11263686	Defined_Atom_Stereo_Count	0
159987	Hydrogen_Bond_Acceptor_Count	5
101099404	Covalent_Unit_Count	1
35654	Defined_Bond_Stereo_Count	0
962	Structure_Complexity	0
5086466	Undefined_Atom_Stereo_Count	0
12231	Isotope_Atom_Count	0
90202	Non-hydrogen_Atom_Count	15
21887872	Undefined_Atom_Stereo_Count	0
163091	Hydrogen_Bond_Donor_Count	0
113027	Undefined_Bond_Stereo_Count	0
13479278	Hydrogen_Bond_Acceptor_Count	1
10658	XLogP3	2
3082717	Rotatable_Bond_Count	6
23199087	Covalent_Unit_Count	1
505	TPSA	213
6715	Defined_Atom_Stereo_Count	0
3406	Hydrogen_Bond_Donor_Count	1
6412	Undefined_Atom_Stereo_Count	0
5288679	TPSA	58.6
121271792	Isotope_Atom_Count	0
183811	Non-hydrogen_Atom_Count	32
52914006	Hydrogen_Bond_Donor_Count	2
57829	Mono_Isotopic_Weight	196.0421705
11462536	Hydrogen_Bond_Acceptor_Count	7
23703451	Isotope_Atom_Count	0
6245	Hydrogen_Bond_Donor_Count	4
16656889	Covalent_Unit_Count	1
10953454	Isotope_Atom_Count	0
59390227	Covalent_Unit_Count	1
45116605	Undefined_Bond_Stereo_Count	0
67434749	Undefined_Bond_Stereo_Count	0
87934	Total_Formal_Charge	0
46866319	Isotope_Atom_Count	0
6744	Defined_Bond_Stereo_Count	0
21768	Exact_Mass	149.120449483
3085023	Total_Formal_Charge	0
53913417	Exact_Mass	112.088815002
737	Exact_Mass	339.99604987
111878	Tautomer_Count	1
8642	Mono_Isotopic_Weight	326.03153051
62173	Defined_Bond_Stereo_Count	0
44560911	Covalent_Unit_Count	1
91759534	Molecular_Weight	225.02
4424	Total_Formal_Charge	0
11432307	Undefined_Atom_Stereo_Count	0
13794998	Undefined_Atom_Stereo_Count	0
137151	Mono_Isotopic_Weight	96.057514874
61151	Mono_Isotopic_Weight	166.062994177
71649	Defined_Bond_Stereo_Count	0
725300	Non-hydrogen_Atom_Count	20
598760	Hydrogen_Bond_Donor_Count	0
54206132	Undefined_Atom_Stereo_Count	0
5880	Defined_Atom_Stereo_Count	7
13789	Hydrogen_Bond_Donor_Count	0
524682	Hydrogen_Bond_Acceptor_Count	0
49866693	Covalent_Unit_Count	1
54539493	Structure_Complexity	115
13696436	Covalent_Unit_Count	1
417349	Structure_Complexity	229
443391	Exact_Mass	428.14601035
2283	Undefined_Atom_Stereo_Count	15
20553	Molecular_Weight	85.10
640	Defined_Atom_Stereo_Count	0
68648	Total_Formal_Charge	0
12218432	Undefined_Bond_Stereo_Count	0
767951	Undefined_Bond_Stereo_Count	0
118153068	Structure_Complexity	99.5
139097994	Hydrogen_Bond_Donor_Count	0
154515463	Hydrogen_Bond_Donor_Count	1
9912474	Mono_Isotopic_Weight	468.20490738
5003059	Undefined_Atom_Stereo_Count	0
138125	Undefined_Bond_Stereo_Count	0
124088	Exact_Mass	252.09708827
16211632	Rotatable_Bond_Count	2
5311333	Molecular_Weight	1111.3
42509	Molecular_Weight	329.9
694983	Structure_Complexity	442
15150444	Undefined_Atom_Stereo_Count	0
5281394	Undefined_Bond_Stereo_Count	0
6999977	Undefined_Atom_Stereo_Count	0
9895694	Mono_Isotopic_Weight	642.39203944
5280335	Tautomer_Count	1
448223	Hydrogen_Bond_Donor_Count	1
76965007	Non-hydrogen_Atom_Count	26
80009	Defined_Bond_Stereo_Count	0
181749	Hydrogen_Bond_Acceptor_Count	2
3427828	Defined_Bond_Stereo_Count	0
90334	Hydrogen_Bond_Donor_Count	1
15786701	Defined_Bond_Stereo_Count	0
64328	Exact_Mass	248.225248902
197861	TPSA	20.3
631779	Isotope_Atom_Count	0
25683	Non-hydrogen_Atom_Count	16
46907953	Non-hydrogen_Atom_Count	10
131751505	Exact_Mass	502.25666817
487900	Defined_Bond_Stereo_Count	0
443382	Structure_Complexity	639
11961423	Structure_Complexity	76.8
27244	Defined_Atom_Stereo_Count	0
232267	Molecular_Weight	102.09
642325	Defined_Bond_Stereo_Count	0
44629522	Exact_Mass	582.31433815
101248703	Mono_Isotopic_Weight	362.13655304
10076625	Rotatable_Bond_Count	10
6041	Undefined_Atom_Stereo_Count	0
2000	XLogP3	0.6
83639	Covalent_Unit_Count	1
78759348	Non-hydrogen_Atom_Count	25
85802	Molecular_Weight	749.6
11673085	Undefined_Bond_Stereo_Count	0
6918788	Hydrogen_Bond_Acceptor_Count	16
4098	Rotatable_Bond_Count	6
143686076	Molecular_Weight	97.16
205970	Undefined_Atom_Stereo_Count	1
16183	Hydrogen_Bond_Donor_Count	1
7941	XLogP3	3.7
3153	Non-hydrogen_Atom_Count	13
15699917	Undefined_Atom_Stereo_Count	1
24798	Exact_Mass	261.880883
5383	Non-hydrogen_Atom_Count	15
126981343	Defined_Bond_Stereo_Count	0
406167	Defined_Atom_Stereo_Count	0
5328793	Undefined_Atom_Stereo_Count	0
101859897	Hydrogen_Bond_Donor_Count	3
71117	Isotope_Atom_Count	0
1059	Molecular_Weight	129.11
12774540	Molecular_Weight	98.14
90628	Exact_Mass	332.152604
22784	Defined_Atom_Stereo_Count	0
23271202	XLogP3-AA	1.4
80037	Total_Formal_Charge	0
104865206	TPSA	41.8
64966	Rotatable_Bond_Count	3
12225170	Defined_Bond_Stereo_Count	0
90408860	Isotope_Atom_Count	0
694738	XLogP3	1
21161643	Covalent_Unit_Count	1
25142444	Defined_Bond_Stereo_Count	0
3365	Hydrogen_Bond_Acceptor_Count	7
22858512	Defined_Bond_Stereo_Count	0
16278	Rotatable_Bond_Count	2
6436924	Defined_Atom_Stereo_Count	0
248580	Mono_Isotopic_Weight	161.084063974
170317	Molecular_Weight	350.3
79059	Defined_Atom_Stereo_Count	0
6916033	Undefined_Bond_Stereo_Count	0
3382778	Hydrogen_Bond_Acceptor_Count	8
12542141	Undefined_Bond_Stereo_Count	0
87592747	Covalent_Unit_Count	1
154474487	Total_Formal_Charge	0
90714454	Covalent_Unit_Count	1
7017101	Mono_Isotopic_Weight	124.063662883
9559	XLogP3-AA	3.9
12745213	Isotope_Atom_Count	0
6335951	Tautomer_Count	5
19782023	XLogP3-AA	0.2
53317617	Non-hydrogen_Atom_Count	36
11263492	Isotope_Atom_Count	0
18929959	Total_Formal_Charge	0
4064	Defined_Atom_Stereo_Count	0
129228	Hydrogen_Bond_Acceptor_Count	5
12682631	Defined_Atom_Stereo_Count	0
16654980	Molecular_Weight	410.4
90479783	Structure_Complexity	528
3085257	Undefined_Bond_Stereo_Count	0
742	Undefined_Atom_Stereo_Count	1
9801235	XLogP3-AA	4
11488705	XLogP3-AA	5.6
4962721	Mono_Isotopic_Weight	111.068413911
61055	Defined_Bond_Stereo_Count	0
2781343	Isotope_Atom_Count	0
138199	Total_Formal_Charge	0
119307	Exact_Mass	622.44446893
88740	Mono_Isotopic_Weight	211.06920175
23684896	Covalent_Unit_Count	2
40602794	Defined_Atom_Stereo_Count	1
73509	Covalent_Unit_Count	1
5020	Tautomer_Count	268
72764	TPSA	69.1
439371	Undefined_Bond_Stereo_Count	0
16050553	Mono_Isotopic_Weight	381.24162724
6326996	Hydrogen_Bond_Acceptor_Count	2
11908489	Non-hydrogen_Atom_Count	23
16639	XLogP3-AA	2.7
124201618	Molecular_Weight	690.8
124224930	Covalent_Unit_Count	1
126011	Exact_Mass	390.16785316
891	Undefined_Atom_Stereo_Count	0
14849721	Molecular_Weight	116.20
456718	Mono_Isotopic_Weight	270.11167570
21192822	Non-hydrogen_Atom_Count	29
9853053	Isotope_Atom_Count	0
17754178	TPSA	36.3
46225290	Non-hydrogen_Atom_Count	32
40818	TPSA	110
11719407	Mono_Isotopic_Weight	452.1403890
16404350	Hydrogen_Bond_Acceptor_Count	12
303830	Non-hydrogen_Atom_Count	8
135409347	Total_Formal_Charge	0
5281250	Hydrogen_Bond_Donor_Count	0
13512	Defined_Bond_Stereo_Count	0
25171662	XLogP3-AA	2.1
89738	Exact_Mass	102.042927438
166473353	Total_Formal_Charge	0
55299417	Non-hydrogen_Atom_Count	8
91442807	Isotope_Atom_Count	0
90488948	XLogP3-AA	1.9
44430374	Structure_Complexity	424
10219407	TPSA	54.4
145961	Defined_Atom_Stereo_Count	0
102452877	Exact_Mass	106.078250319
123147402	Defined_Bond_Stereo_Count	0
11625818	Defined_Atom_Stereo_Count	1
875	Molecular_Weight	150.09
69311	Exact_Mass	190.15689456
36613	Tautomer_Count	1
9639	Hydrogen_Bond_Donor_Count	0
9263	Structure_Complexity	26.5
26890	Rotatable_Bond_Count	7
517313	Undefined_Atom_Stereo_Count	0
95400	Defined_Atom_Stereo_Count	0
153400963	Molecular_Weight	98.14
7059454	Exact_Mass	165.12257474
73303	Exact_Mass	420.11372685
60573	Exact_Mass	363.11978
13356397	Total_Formal_Charge	0
29976	Undefined_Bond_Stereo_Count	0
54466147	Non-hydrogen_Atom_Count	8
23665763	Mono_Isotopic_Weight	103.95440935
67546	Tautomer_Count	1
64915	Tautomer_Count	1
240373	Covalent_Unit_Count	1
44430374	TPSA	77.8
21737	Isotope_Atom_Count	0
2733525	Structure_Complexity	690
56659844	Hydrogen_Bond_Donor_Count	1
66624275	XLogP3-AA	0.8
101181995	Molecular_Weight	500.7
11193251	Hydrogen_Bond_Acceptor_Count	11
23378249	Rotatable_Bond_Count	2
12648279	Hydrogen_Bond_Donor_Count	0
24123450	Covalent_Unit_Count	1
23727981	Molecular_Weight	241.25
65728	Mono_Isotopic_Weight	386.354866087
59082722	Undefined_Bond_Stereo_Count	0
11108673	Defined_Atom_Stereo_Count	4
193991	Structure_Complexity	531
524646	Structure_Complexity	82
6446	Mono_Isotopic_Weight	336.21007294
13373005	Tautomer_Count	1
14678666	Defined_Atom_Stereo_Count	0
556872	TPSA	20.2
154392753	Undefined_Atom_Stereo_Count	0
129786694	Isotope_Atom_Count	0
4866	Undefined_Bond_Stereo_Count	8
657381	Defined_Atom_Stereo_Count	2
69871	Mono_Isotopic_Weight	177.00376279
92209	Hydrogen_Bond_Donor_Count	1
54057642	Total_Formal_Charge	0
21823262	Covalent_Unit_Count	1
107760	Isotope_Atom_Count	0
60196372	Isotope_Atom_Count	0
220376	Undefined_Atom_Stereo_Count	0
5281884	Molecular_Weight	1214.6
35958	Tautomer_Count	1
45190	Hydrogen_Bond_Acceptor_Count	4
50897	Undefined_Bond_Stereo_Count	0
24871329	Rotatable_Bond_Count	4
31335	Covalent_Unit_Count	1
305714	TPSA	88.1
141343693	Undefined_Atom_Stereo_Count	2
1479778	Rotatable_Bond_Count	2
6432105	Exact_Mass	326.199428076
66545764	Structure_Complexity	880
6993950	Defined_Atom_Stereo_Count	0
20082658	Undefined_Atom_Stereo_Count	1
251143	Rotatable_Bond_Count	1
38283	Covalent_Unit_Count	1
13485108	Rotatable_Bond_Count	1
61011	Total_Formal_Charge	0
100934359	Undefined_Atom_Stereo_Count	0
8377	Defined_Bond_Stereo_Count	0
134819268	Isotope_Atom_Count	0
100380	Rotatable_Bond_Count	1
20270668	Hydrogen_Bond_Acceptor_Count	1
72941779	Defined_Atom_Stereo_Count	0
9907436	Mono_Isotopic_Weight	370.08921
3397	XLogP3	3.3
558363	Mono_Isotopic_Weight	99.104799419
13092476	Hydrogen_Bond_Acceptor_Count	2
41881	Non-hydrogen_Atom_Count	30
1429	Non-hydrogen_Atom_Count	20
4217966	Defined_Bond_Stereo_Count	0
10219763	Covalent_Unit_Count	1
156414	Total_Formal_Charge	0
74370	Defined_Atom_Stereo_Count	0
12968	Molecular_Weight	189.32
118704754	Mono_Isotopic_Weight	413.15216079
5311130	Non-hydrogen_Atom_Count	31
11550045	Undefined_Atom_Stereo_Count	1
101210282	Hydrogen_Bond_Acceptor_Count	0
5795731	Defined_Atom_Stereo_Count	0
1492348	TPSA	98.3
677	Isotope_Atom_Count	0
69065	Exact_Mass	216.04225873
54332589	Hydrogen_Bond_Donor_Count	0
23409	Hydrogen_Bond_Donor_Count	1
84088	Undefined_Atom_Stereo_Count	0
12369	Total_Formal_Charge	0
123791702	Non-hydrogen_Atom_Count	7
525785	XLogP3-AA	1.6
136069	Total_Formal_Charge	0
736172	Rotatable_Bond_Count	3
49769064	Rotatable_Bond_Count	9
20692458	Rotatable_Bond_Count	1
2658	Undefined_Atom_Stereo_Count	2
52706	Tautomer_Count	2
71530	XLogP3-AA	3.8
344693	Undefined_Atom_Stereo_Count	1
6256685	Non-hydrogen_Atom_Count	18
3554	Mono_Isotopic_Weight	783.29064583
11291932	Defined_Atom_Stereo_Count	0
71590622	Undefined_Atom_Stereo_Count	1
16132429	Non-hydrogen_Atom_Count	172
131632475	Undefined_Atom_Stereo_Count	1
162290	Undefined_Bond_Stereo_Count	0
60975	Undefined_Atom_Stereo_Count	1
10364560	Structure_Complexity	565
135414420	Mono_Isotopic_Weight	364.04937236
7474	Defined_Atom_Stereo_Count	0
9904746	Tautomer_Count	1
467	Total_Formal_Charge	0
7107	Total_Formal_Charge	0
12486323	Mono_Isotopic_Weight	120.078644241
14236864	Structure_Complexity	55.1
46835340	Non-hydrogen_Atom_Count	8
46934729	Total_Formal_Charge	0
316722	Exact_Mass	112.088815002
2724564	Hydrogen_Bond_Acceptor_Count	2
1050	Mono_Isotopic_Weight	167.058243149
20055121	TPSA	190
144826028	Non-hydrogen_Atom_Count	8
4435	Molecular_Weight	406.6
6419765	Non-hydrogen_Atom_Count	18
70314955	Exact_Mass	112.027277375
63597	Non-hydrogen_Atom_Count	22
154237264	Undefined_Bond_Stereo_Count	0
10898649	Structure_Complexity	64
89162323	TPSA	46.7
19354533	Hydrogen_Bond_Donor_Count	0
6992039	Hydrogen_Bond_Donor_Count	3
3777159	Rotatable_Bond_Count	3
9579252	Undefined_Atom_Stereo_Count	0
84461	Defined_Bond_Stereo_Count	0
25052652	Defined_Bond_Stereo_Count	0
72604488	Non-hydrogen_Atom_Count	7
11840927	Exact_Mass	228.09324893
6604724	Defined_Bond_Stereo_Count	0
156588151	Total_Formal_Charge	0
5352982	Covalent_Unit_Count	1
99071	Undefined_Atom_Stereo_Count	1
85382	Isotope_Atom_Count	0
16213698	TPSA	267
60189	Exact_Mass	286.168127949
98655	Defined_Bond_Stereo_Count	0
11370864	Non-hydrogen_Atom_Count	21
10034060	Non-hydrogen_Atom_Count	72
65422334	Molecular_Weight	114.19
342403	Mono_Isotopic_Weight	137.047678466
21675743	Molecular_Weight	100.16
165653078	Isotope_Atom_Count	0
6433107	Isotope_Atom_Count	0
484128	Total_Formal_Charge	0
10434	Undefined_Atom_Stereo_Count	0
17929084	Undefined_Atom_Stereo_Count	0
5365589	Hydrogen_Bond_Donor_Count	1
11622593	Exact_Mass	212.11609238
30437	Undefined_Bond_Stereo_Count	0
51030529	Hydrogen_Bond_Donor_Count	0
164825	Defined_Bond_Stereo_Count	0
31216	Isotope_Atom_Count	0
188966	Defined_Bond_Stereo_Count	0
85768913	Mono_Isotopic_Weight	95.073499291
71681471	TPSA	56.8
102474775	Hydrogen_Bond_Acceptor_Count	2
7306	Defined_Atom_Stereo_Count	0
68658	Mono_Isotopic_Weight	312.1007480
11957609	Undefined_Bond_Stereo_Count	0
712441	Rotatable_Bond_Count	1
44521017	Defined_Atom_Stereo_Count	0
61370	Defined_Atom_Stereo_Count	0
65774	Hydrogen_Bond_Acceptor_Count	5
249	Molecular_Weight	102.15
86412	Undefined_Bond_Stereo_Count	0
54230	Non-hydrogen_Atom_Count	23
67678	Defined_Bond_Stereo_Count	0
411817	Covalent_Unit_Count	1
11403482	Non-hydrogen_Atom_Count	20
63346	Molecular_Weight	350.4
22224160	Exact_Mass	106.078250319
6436031	Undefined_Bond_Stereo_Count	0
70682584	Exact_Mass	438.18379527
15541	TPSA	130
154017157	Undefined_Bond_Stereo_Count	0
51256	Non-hydrogen_Atom_Count	21
41721	Defined_Atom_Stereo_Count	0
12428066	Exact_Mass	111.068413911
136085	XLogP3-AA	0.3
23694214	Defined_Atom_Stereo_Count	7
90488948	Undefined_Atom_Stereo_Count	0
87280891	Structure_Complexity	2330
19193	Exact_Mass	109.063997236
445420	Total_Formal_Charge	0
25271860	Defined_Atom_Stereo_Count	1
4871804	Undefined_Bond_Stereo_Count	0
139060618	Mono_Isotopic_Weight	442.14232438
70933	TPSA	0
30295	Rotatable_Bond_Count	9
16133899	Molecular_Weight	6094
642156	Undefined_Bond_Stereo_Count	0
70754	XLogP3-AA	2.9
165217	Rotatable_Bond_Count	7
5987	Hydrogen_Bond_Donor_Count	2
642376	XLogP3-AA	3.2
9796365	XLogP3-AA	1.4
3033012	Rotatable_Bond_Count	5
541123	Defined_Atom_Stereo_Count	0
21867279	Defined_Atom_Stereo_Count	0
60196409	Structure_Complexity	835
5108383	Defined_Bond_Stereo_Count	0
8717	Isotope_Atom_Count	0
55299417	Hydrogen_Bond_Acceptor_Count	0
11560610	Defined_Atom_Stereo_Count	0
9287	Rotatable_Bond_Count	2
91971505	Hydrogen_Bond_Acceptor_Count	14
1507	Covalent_Unit_Count	1
5894	Covalent_Unit_Count	1
62583	Molecular_Weight	170.25
5281565	Molecular_Weight	230.26
9888340	Undefined_Atom_Stereo_Count	0
98017	XLogP3	3
70487	Hydrogen_Bond_Donor_Count	4
263639	Total_Formal_Charge	0
123516214	Covalent_Unit_Count	1
23338788	Isotope_Atom_Count	0
22645860	Molecular_Weight	98.10
9549168	Undefined_Bond_Stereo_Count	0
86295	Hydrogen_Bond_Acceptor_Count	11
4342	Undefined_Atom_Stereo_Count	0
9957	XLogP3	0.9
24917008	Molecular_Weight	290.42
134008	Rotatable_Bond_Count	4
10379137	Rotatable_Bond_Count	5
122877	Mono_Isotopic_Weight	678.22670545
10226546	Hydrogen_Bond_Acceptor_Count	7
317053	Hydrogen_Bond_Donor_Count	1
123542468	Exact_Mass	108.093900383
18714263	Undefined_Bond_Stereo_Count	0
292659	Defined_Bond_Stereo_Count	0
92649	XLogP3-AA	2.5
11589590	Isotope_Atom_Count	0
64627	TPSA	69.3
67711	Hydrogen_Bond_Acceptor_Count	2
80369	Undefined_Bond_Stereo_Count	0
4675	Tautomer_Count	1
1475194	Total_Formal_Charge	0
440996	Non-hydrogen_Atom_Count	19
123424	Isotope_Atom_Count	0
5323604	Undefined_Atom_Stereo_Count	0
87217	Covalent_Unit_Count	1
289085	Rotatable_Bond_Count	8
6335499	Isotope_Atom_Count	1
5362456	Rotatable_Bond_Count	0
66714960	Undefined_Atom_Stereo_Count	0
25058186	Molecular_Weight	448.5
704262	Isotope_Atom_Count	0
3033867	Tautomer_Count	1
17510	Defined_Bond_Stereo_Count	0
71449858	Defined_Bond_Stereo_Count	0
35407	Hydrogen_Bond_Acceptor_Count	2
72273828	Molecular_Weight	110.11
87476740	Undefined_Atom_Stereo_Count	0
54573150	Structure_Complexity	137
118946	Isotope_Atom_Count	0
16907	Rotatable_Bond_Count	2
573553	Hydrogen_Bond_Donor_Count	2
7496	Defined_Atom_Stereo_Count	0
71448984	Structure_Complexity	61.1
13464587	Molecular_Weight	107.11
57514051	Tautomer_Count	999
14113	Non-hydrogen_Atom_Count	13
80472094	Structure_Complexity	110
746	Non-hydrogen_Atom_Count	21
67259738	Undefined_Atom_Stereo_Count	0
12295224	Non-hydrogen_Atom_Count	8
149026	Total_Formal_Charge	0
11434927	Exact_Mass	113.047678466
17914258	TPSA	56.2
6446650	TPSA	26
60196397	Hydrogen_Bond_Donor_Count	0
13018787	Tautomer_Count	1
12644711	Total_Formal_Charge	0
11658860	Structure_Complexity	172
62775	Mono_Isotopic_Weight	190.135765193
452548	Hydrogen_Bond_Acceptor_Count	14
122214398	Isotope_Atom_Count	0
61503	Defined_Atom_Stereo_Count	1
9678	Total_Formal_Charge	0
11074	Undefined_Bond_Stereo_Count	0
10898675	Total_Formal_Charge	0
16760595	Mono_Isotopic_Weight	262.95716241
13059052	Hydrogen_Bond_Donor_Count	2
5014	Undefined_Atom_Stereo_Count	0
76365	Exact_Mass	126.068079557
33038	Isotope_Atom_Count	0
86100	Hydrogen_Bond_Acceptor_Count	8
3344	XLogP3-AA	2.1
10582755	Hydrogen_Bond_Acceptor_Count	1
91740	Isotope_Atom_Count	0
4622	XLogP3	2.4
1497	Total_Formal_Charge	0
21326740	Undefined_Atom_Stereo_Count	0
6808	Non-hydrogen_Atom_Count	11
21659905	Rotatable_Bond_Count	8
667490	Undefined_Bond_Stereo_Count	0
23688987	Tautomer_Count	1
54518010	Isotope_Atom_Count	0
44160	Molecular_Weight	164.20
129894493	Structure_Complexity	2220
5282468	Non-hydrogen_Atom_Count	41
68009306	Total_Formal_Charge	0
89456730	Isotope_Atom_Count	0
2772687	Molecular_Weight	315.16
4687	Defined_Bond_Stereo_Count	0
12421092	Mono_Isotopic_Weight	145.063997236
2779024	Hydrogen_Bond_Acceptor_Count	5
158553	Tautomer_Count	32
21958071	Total_Formal_Charge	0
12317347	Defined_Atom_Stereo_Count	0
59481545	Undefined_Atom_Stereo_Count	0
563049	Hydrogen_Bond_Acceptor_Count	6
2723866	Structure_Complexity	155
5289534	TPSA	146
78249	Structure_Complexity	186
104609	Rotatable_Bond_Count	4
93074	Structure_Complexity	65.1
42808	Exact_Mass	155.930033
66071945	Hydrogen_Bond_Acceptor_Count	2
17907809	Total_Formal_Charge	0
11593	Defined_Atom_Stereo_Count	0
74180	Hydrogen_Bond_Donor_Count	1
143500	Hydrogen_Bond_Acceptor_Count	1
7254	Isotope_Atom_Count	0
153088	Structure_Complexity	595
123662875	Covalent_Unit_Count	1
71649	Rotatable_Bond_Count	19
1893730	Undefined_Atom_Stereo_Count	0
44305779	Defined_Atom_Stereo_Count	0
57404062	Isotope_Atom_Count	0
3905	Covalent_Unit_Count	1
8073	Non-hydrogen_Atom_Count	6
12508	Covalent_Unit_Count	1
12364784	Undefined_Bond_Stereo_Count	0
75987092	Structure_Complexity	535
78220	Non-hydrogen_Atom_Count	12
133645886	Molecular_Weight	823.9
96034	Hydrogen_Bond_Acceptor_Count	1
17151	Undefined_Bond_Stereo_Count	0
447945	Total_Formal_Charge	0
24812731	Exact_Mass	455.09679023
92233	Rotatable_Bond_Count	2
143714846	XLogP3-AA	2.5
57642301	Covalent_Unit_Count	1
123801117	Hydrogen_Bond_Acceptor_Count	0
12094059	Undefined_Atom_Stereo_Count	0
140623	Defined_Atom_Stereo_Count	0
95941	Defined_Bond_Stereo_Count	0
3015569	Undefined_Atom_Stereo_Count	0
91773	TPSA	49.4
89808883	Molecular_Weight	101.15
7087	Non-hydrogen_Atom_Count	17
11287722	XLogP3-AA	2.7
413518	Defined_Atom_Stereo_Count	0
12753	Structure_Complexity	50
60196328	Tautomer_Count	1
8275	TPSA	75.3
5129	Covalent_Unit_Count	1
68289914	Isotope_Atom_Count	0
123195542	Undefined_Bond_Stereo_Count	0
57467561	TPSA	18.5
13807316	Exact_Mass	114.068079557
67388618	Undefined_Atom_Stereo_Count	0
71094775	Mono_Isotopic_Weight	342.11621151
11625778	Exact_Mass	413.19507097
143888994	Undefined_Atom_Stereo_Count	0
68304261	Molecular_Weight	483.0
23552407	Defined_Bond_Stereo_Count	0
57406717	Structure_Complexity	863
10872638	Rotatable_Bond_Count	3
57357187	Non-hydrogen_Atom_Count	18
60196310	Exact_Mass	260.1179222
75864	XLogP3-AA	1.2
6999	Total_Formal_Charge	0
9828310	Hydrogen_Bond_Donor_Count	2
3438	XLogP3	0.4
4290	Defined_Atom_Stereo_Count	0
12284	Covalent_Unit_Count	1
53325403	Rotatable_Bond_Count	8
64722	Covalent_Unit_Count	2
82593565	Undefined_Atom_Stereo_Count	0
2783279	Mono_Isotopic_Weight	151.00451168
1486	Exact_Mass	219.9693994
3822	TPSA	69.7
2100	Molecular_Weight	919.0
16756754	XLogP3-AA	6.3
7363	Covalent_Unit_Count	1
28557	Undefined_Bond_Stereo_Count	0
167945	Exact_Mass	218.10284761
129638348	Rotatable_Bond_Count	0
9548889	Defined_Atom_Stereo_Count	0
12209481	TPSA	26
778159	Hydrogen_Bond_Donor_Count	0
11522448	Undefined_Bond_Stereo_Count	0
3482	Covalent_Unit_Count	1
4265	Structure_Complexity	904
85178	Covalent_Unit_Count	1
45497	TPSA	22.9
54516038	Defined_Atom_Stereo_Count	0
223407	Non-hydrogen_Atom_Count	21
13636	Isotope_Atom_Count	0
110785	Defined_Atom_Stereo_Count	0
1548953	Total_Formal_Charge	0
76292	Non-hydrogen_Atom_Count	12
82056	Rotatable_Bond_Count	20
50878556	Covalent_Unit_Count	2
2734224	Defined_Bond_Stereo_Count	0
60196304	Total_Formal_Charge	0
130611	Molecular_Weight	232.19
11768503	TPSA	9.2
53903478	Molecular_Weight	197.26
3034424	TPSA	26.3
12561986	Molecular_Weight	92.14
14796	TPSA	34.1
78723	Structure_Complexity	403
24901348	Covalent_Unit_Count	1
13132266	Total_Formal_Charge	0
198243	Mono_Isotopic_Weight	166.062994177
2526	Undefined_Bond_Stereo_Count	0
53264	Defined_Atom_Stereo_Count	4
6399259	Total_Formal_Charge	0
13521834	Hydrogen_Bond_Acceptor_Count	1
43834572	Isotope_Atom_Count	0
19526	Hydrogen_Bond_Acceptor_Count	2
289031	Hydrogen_Bond_Acceptor_Count	7
84076	Covalent_Unit_Count	1
57029485	XLogP3-AA	1.1
138107840	Exact_Mass	569.29082182
1189	Total_Formal_Charge	0
78006	TPSA	0
138496	Isotope_Atom_Count	0
77232	Structure_Complexity	85.7
35758	Total_Formal_Charge	0
59557732	Mono_Isotopic_Weight	116.083729621
52361	Defined_Atom_Stereo_Count	0
87485	Isotope_Atom_Count	0
441404	Covalent_Unit_Count	1
10197646	Defined_Bond_Stereo_Count	0
22859	Total_Formal_Charge	0
5978	TPSA	171
4731	Non-hydrogen_Atom_Count	24
40479707	Exact_Mass	302.17561863
27902	Non-hydrogen_Atom_Count	23
60148392	Mono_Isotopic_Weight	403.09397682
16678941	Mono_Isotopic_Weight	452.11837800
5367222	Total_Formal_Charge	0
57397775	Mono_Isotopic_Weight	452.24572682
16076883	Molecular_Weight	748.3
63650	Hydrogen_Bond_Acceptor_Count	4
14010333	Hydrogen_Bond_Acceptor_Count	4
34799	Hydrogen_Bond_Donor_Count	1
12573	XLogP3-AA	3.1
752860	Defined_Atom_Stereo_Count	0
23675258	Molecular_Weight	205.17
214342	Non-hydrogen_Atom_Count	28
493570	Hydrogen_Bond_Donor_Count	5
80308	TPSA	46.2
6385	Covalent_Unit_Count	1
5288598	Non-hydrogen_Atom_Count	17
5310987	Defined_Bond_Stereo_Count	1
157350	Defined_Bond_Stereo_Count	0
108002	Structure_Complexity	820
1074953	Undefined_Bond_Stereo_Count	0
27712	Isotope_Atom_Count	0
6441068	Hydrogen_Bond_Donor_Count	0
894327	Mono_Isotopic_Weight	289.121512110
75987414	Defined_Bond_Stereo_Count	0
11589453	Non-hydrogen_Atom_Count	30
222155	Mono_Isotopic_Weight	548.29853298
91469	Total_Formal_Charge	0
3566445	Mono_Isotopic_Weight	94.98029013
7500	TPSA	0
198212	Total_Formal_Charge	0
129796414	Molecular_Weight	177.22
21680715	Undefined_Bond_Stereo_Count	0
90701	Undefined_Bond_Stereo_Count	0
131714458	Hydrogen_Bond_Acceptor_Count	10
118705497	Molecular_Weight	746.9
16155604	Undefined_Bond_Stereo_Count	0
2541	Total_Formal_Charge	0
156970	Hydrogen_Bond_Donor_Count	0
9940086	Undefined_Bond_Stereo_Count	0
6917983	Mono_Isotopic_Weight	822.36873779
24841	Defined_Atom_Stereo_Count	0
6992027	Defined_Bond_Stereo_Count	0
2387	XLogP3-AA	1
133109198	Hydrogen_Bond_Acceptor_Count	14
158726884	TPSA	17.8
82134	Isotope_Atom_Count	0
11340940	Isotope_Atom_Count	0
522007	Mono_Isotopic_Weight	102.104465066
53674	Defined_Atom_Stereo_Count	0
23725063	Defined_Bond_Stereo_Count	0
11700495	TPSA	107
71453618	Covalent_Unit_Count	1
23182417	Structure_Complexity	119
66603768	Defined_Atom_Stereo_Count	2
123404946	TPSA	23.8
10061	Molecular_Weight	386.5
12359612	Hydrogen_Bond_Acceptor_Count	1
2175	Mono_Isotopic_Weight	594.14542089
9941379	Total_Formal_Charge	0
124247	Defined_Bond_Stereo_Count	0
10772953	Non-hydrogen_Atom_Count	8
6051	Hydrogen_Bond_Donor_Count	1
1989	Hydrogen_Bond_Donor_Count	2
129821645	Defined_Bond_Stereo_Count	0
46184986	Covalent_Unit_Count	1
58044734	Hydrogen_Bond_Acceptor_Count	2
12456453	Hydrogen_Bond_Acceptor_Count	3
61177	Undefined_Bond_Stereo_Count	0
13348002	Hydrogen_Bond_Acceptor_Count	0
2691	Rotatable_Bond_Count	10
12990	Total_Formal_Charge	0
8183	Total_Formal_Charge	0
147610634	TPSA	26
165580	TPSA	347
3528	Structure_Complexity	1450
4693	Undefined_Atom_Stereo_Count	9
90297	Defined_Atom_Stereo_Count	0
10290734	Isotope_Atom_Count	0
9803119	Undefined_Bond_Stereo_Count	0
133612130	Hydrogen_Bond_Donor_Count	3
44909	Hydrogen_Bond_Donor_Count	1
439230	Defined_Atom_Stereo_Count	1
449085	Molecular_Weight	124.08
39528	Exact_Mass	280.05177804
21696199	Undefined_Bond_Stereo_Count	0
5352728	Non-hydrogen_Atom_Count	10
55285	Rotatable_Bond_Count	8
60196383	Hydrogen_Bond_Acceptor_Count	6
5505	Covalent_Unit_Count	1
62143	Hydrogen_Bond_Acceptor_Count	3
5366844	Rotatable_Bond_Count	7
5463411	Total_Formal_Charge	0
9868950	Undefined_Bond_Stereo_Count	0
31209	Mono_Isotopic_Weight	202.135765193
64685	Mono_Isotopic_Weight	154.135765193
197883	TPSA	76.6
92981	Total_Formal_Charge	0
17195	Non-hydrogen_Atom_Count	26
7549	XLogP3-AA	0.3
16722125	Mono_Isotopic_Weight	396.13953042
3036222	Covalent_Unit_Count	1
245	Structure_Complexity	480
44477	Structure_Complexity	202
73162904	Undefined_Atom_Stereo_Count	0
59792626	Hydrogen_Bond_Donor_Count	0
139291730	Undefined_Atom_Stereo_Count	0
25199798	Exact_Mass	263.034456
9794218	Mono_Isotopic_Weight	200.04081944
6321253	Mono_Isotopic_Weight	338.21066147
123789923	Hydrogen_Bond_Donor_Count	0
71389631	Structure_Complexity	140
11961	Defined_Bond_Stereo_Count	0
36217	TPSA	179
17457	Hydrogen_Bond_Donor_Count	0
89311461	Molecular_Weight	114.15
75712	Covalent_Unit_Count	1
24848201	Structure_Complexity	260
19990	Covalent_Unit_Count	1
12986	Molecular_Weight	84.16
349711	Mono_Isotopic_Weight	117.078978594
130113566	Exact_Mass	108.99862027
3000322	Exact_Mass	303.14705815
18345891	Total_Formal_Charge	0
524653	Mono_Isotopic_Weight	98.109550447
12310	Undefined_Atom_Stereo_Count	0
12576851	Mono_Isotopic_Weight	112.074896272
110835	Non-hydrogen_Atom_Count	46
13570060	Undefined_Atom_Stereo_Count	2
45120389	Undefined_Atom_Stereo_Count	2
67258704	Defined_Atom_Stereo_Count	0
11446863	Tautomer_Count	2
17714	Hydrogen_Bond_Acceptor_Count	3
6869	Total_Formal_Charge	0
132274234	TPSA	557
14464334	Total_Formal_Charge	0
49865785	Rotatable_Bond_Count	5
92275	Covalent_Unit_Count	1
102192	Non-hydrogen_Atom_Count	21
135424353	Molecular_Weight	209.29
122389028	Mono_Isotopic_Weight	376.15220310
9306	Undefined_Atom_Stereo_Count	1
5468154	Defined_Bond_Stereo_Count	1
29728	Mono_Isotopic_Weight	269.88910
669688	Total_Formal_Charge	0
3033151	Defined_Bond_Stereo_Count	0
20324725	Non-hydrogen_Atom_Count	7
4043	Hydrogen_Bond_Donor_Count	1
71455279	Defined_Bond_Stereo_Count	0
24987	Tautomer_Count	1
10892838	Hydrogen_Bond_Donor_Count	1
33473	Defined_Bond_Stereo_Count	0
222155	Total_Formal_Charge	0
398559	Hydrogen_Bond_Acceptor_Count	7
22965786	Mono_Isotopic_Weight	98.073164938
1792	Undefined_Atom_Stereo_Count	0
254081	Hydrogen_Bond_Donor_Count	0
135889896	Exact_Mass	665.30474055
54231624	Structure_Complexity	139
59277791	Defined_Atom_Stereo_Count	0
134338399	Molecular_Weight	108.10
72200758	Hydrogen_Bond_Donor_Count	3
21784	Defined_Bond_Stereo_Count	0
5353959	Mono_Isotopic_Weight	842.51400504
139030973	Defined_Bond_Stereo_Count	0
208921	Tautomer_Count	1
14151226	Defined_Bond_Stereo_Count	0
10775	Hydrogen_Bond_Acceptor_Count	4
163050680	XLogP3-AA	2.5
33258	Isotope_Atom_Count	0
15437	Defined_Atom_Stereo_Count	0
17904805	Isotope_Atom_Count	0
33255	Hydrogen_Bond_Donor_Count	2
5282428	Undefined_Bond_Stereo_Count	0
2641	Isotope_Atom_Count	0
10115	Undefined_Bond_Stereo_Count	0
5287779	Total_Formal_Charge	0
431094	Exact_Mass	1197.605436
444008	Exact_Mass	312.208930132
72258	Rotatable_Bond_Count	1
22715990	Defined_Bond_Stereo_Count	0
9874874	Hydrogen_Bond_Acceptor_Count	11
57369411	Hydrogen_Bond_Acceptor_Count	16
12463393	Structure_Complexity	51.7
131704262	Total_Formal_Charge	0
5401	Undefined_Atom_Stereo_Count	1
5284329	Mono_Isotopic_Weight	520.25867428
763185	Non-hydrogen_Atom_Count	19
6509979	Exact_Mass	809.4480897
136585	Exact_Mass	106.078250319
325086	Rotatable_Bond_Count	1
11476710	Non-hydrogen_Atom_Count	31
23513454	Total_Formal_Charge	0
545098	Undefined_Atom_Stereo_Count	0
123346247	Mono_Isotopic_Weight	108.093900383
92154	Exact_Mass	189.078978594
107871	Total_Formal_Charge	0
5017	Undefined_Bond_Stereo_Count	0
99342	TPSA	24.1
243313	Isotope_Atom_Count	0
5282493	Structure_Complexity	982
40468	Isotope_Atom_Count	0
23552426	Non-hydrogen_Atom_Count	7
23432895	Rotatable_Bond_Count	2
11652865	Total_Formal_Charge	0
23662512	Covalent_Unit_Count	2
20070697	Covalent_Unit_Count	1
24776149	Covalent_Unit_Count	1
49784084	Defined_Atom_Stereo_Count	0
13639659	Mono_Isotopic_Weight	116.047344113
11378454	Defined_Bond_Stereo_Count	0
60753	Structure_Complexity	443
54046888	Undefined_Atom_Stereo_Count	1
3423265	Rotatable_Bond_Count	12
18730079	Undefined_Bond_Stereo_Count	0
33845	Structure_Complexity	268
75430	Rotatable_Bond_Count	3
5281801	Mono_Isotopic_Weight	286.04773803
72273828	TPSA	32.7
2912	Defined_Bond_Stereo_Count	0
97035	Defined_Atom_Stereo_Count	0
573744	Exact_Mass	254.05138412
14895	Exact_Mass	430.02530576
15980798	Defined_Bond_Stereo_Count	0
72930	XLogP3	1.5
135474265	Tautomer_Count	3
62802	Tautomer_Count	1
88564905	Structure_Complexity	83.8
24090	Hydrogen_Bond_Acceptor_Count	0
9800555	Isotope_Atom_Count	0
10396821	Non-hydrogen_Atom_Count	8
53881088	Non-hydrogen_Atom_Count	8
68737	Defined_Bond_Stereo_Count	0
673832	Rotatable_Bond_Count	5
20479971	Defined_Atom_Stereo_Count	0
71403949	Exact_Mass	283.08445790
41854	Tautomer_Count	2
13425650	Structure_Complexity	365
3017698	Rotatable_Bond_Count	4
71019	Total_Formal_Charge	0
100965141	Exact_Mass	342.11638967
12448	XLogP3-AA	3.7
77574	Undefined_Bond_Stereo_Count	0
657202	Isotope_Atom_Count	0
13327309	XLogP3-AA	0.6
20508	Covalent_Unit_Count	1
138024	Defined_Atom_Stereo_Count	0
158895	Exact_Mass	338.12665706
456410	Non-hydrogen_Atom_Count	20
68068812	Covalent_Unit_Count	1
55604	Hydrogen_Bond_Donor_Count	0
23667619	Undefined_Atom_Stereo_Count	0
123166	Hydrogen_Bond_Acceptor_Count	0
25073049	Rotatable_Bond_Count	6
5376	Undefined_Bond_Stereo_Count	1
23029	TPSA	0
1549103	Total_Formal_Charge	0
16421	Hydrogen_Bond_Donor_Count	0
66615270	XLogP3-AA	1.2
89249149	Rotatable_Bond_Count	1
19693843	Rotatable_Bond_Count	0
10883	Hydrogen_Bond_Acceptor_Count	3
6433951	Tautomer_Count	3
162990683	Covalent_Unit_Count	1
29742	Hydrogen_Bond_Donor_Count	2
10866836	Total_Formal_Charge	0
737804	XLogP3-AA	0.8
59696370	XLogP3-AA	1.2
23678802	Rotatable_Bond_Count	12
5738	Hydrogen_Bond_Donor_Count	0
93804	Defined_Atom_Stereo_Count	8
77117	Covalent_Unit_Count	1
448223	Non-hydrogen_Atom_Count	21
57354313	XLogP3-AA	1.1
7232	Mono_Isotopic_Weight	264.07549087
11637	Tautomer_Count	1
78575	Covalent_Unit_Count	1
15942672	TPSA	63.2
6538982	Defined_Atom_Stereo_Count	0
5324278	Mono_Isotopic_Weight	87.068413911
10810	Hydrogen_Bond_Donor_Count	5
10451	Exact_Mass	120.00674260
194383	Hydrogen_Bond_Donor_Count	6
13163928	Exact_Mass	112.052429494
75705	Defined_Bond_Stereo_Count	0
11544170	XLogP3-AA	4.1
5354035	Hydrogen_Bond_Donor_Count	1
6178111	Undefined_Bond_Stereo_Count	0
126963444	Hydrogen_Bond_Acceptor_Count	18
59281	Rotatable_Bond_Count	2
5284650	Undefined_Atom_Stereo_Count	0
21313738	Hydrogen_Bond_Donor_Count	1
2871	Exact_Mass	362.0144595
6444834	Non-hydrogen_Atom_Count	22
89578867	Defined_Atom_Stereo_Count	2
4141522	Structure_Complexity	149
7041	Undefined_Bond_Stereo_Count	0
216456	Undefined_Bond_Stereo_Count	0
53669425	Exact_Mass	259.06095954
93519	Tautomer_Count	2
72941955	Defined_Bond_Stereo_Count	0
8062	Defined_Atom_Stereo_Count	0
19829703	Total_Formal_Charge	0
10796	Tautomer_Count	1
71306	Defined_Atom_Stereo_Count	0
91536	Undefined_Atom_Stereo_Count	0
54092188	Undefined_Atom_Stereo_Count	0
70346812	Molecular_Weight	113.16
119032	Hydrogen_Bond_Acceptor_Count	7
3038495	Exact_Mass	417.24162724
229932	Mono_Isotopic_Weight	96.032362755
78205	Covalent_Unit_Count	1
167	Undefined_Atom_Stereo_Count	0
23631288	Hydrogen_Bond_Acceptor_Count	4
12343986	Hydrogen_Bond_Acceptor_Count	2
5780	Hydrogen_Bond_Donor_Count	6
12219387	Isotope_Atom_Count	0
56672297	Exact_Mass	410.16666561
25162926	Covalent_Unit_Count	2
14337	Mono_Isotopic_Weight	215.13438547
24284832	Mono_Isotopic_Weight	115.063328530
58087	Mono_Isotopic_Weight	388.0210617
6695	Undefined_Bond_Stereo_Count	0
1712095	Defined_Atom_Stereo_Count	0
88524529	Isotope_Atom_Count	0
10149288	Non-hydrogen_Atom_Count	18
45248	Tautomer_Count	4
6539013	Mono_Isotopic_Weight	409.21138974
11876	Tautomer_Count	2
53465	Hydrogen_Bond_Acceptor_Count	4
10251906	Covalent_Unit_Count	1
634470	Defined_Atom_Stereo_Count	0
31239	Covalent_Unit_Count	2
11573395	Hydrogen_Bond_Donor_Count	1
194647	Hydrogen_Bond_Donor_Count	8
53898266	Hydrogen_Bond_Acceptor_Count	3
5486998	Mono_Isotopic_Weight	494.12129689
98416	Structure_Complexity	522
16426	Hydrogen_Bond_Donor_Count	1
688093	Defined_Bond_Stereo_Count	0
54583934	Hydrogen_Bond_Donor_Count	1
3614551	Structure_Complexity	84.1
2846928	Structure_Complexity	230
94280	Molecular_Weight	294.4
9938326	Defined_Atom_Stereo_Count	1
25133978	TPSA	91.3
134694876	Molecular_Weight	493.5
25123	Exact_Mass	162.115698455
81397	Hydrogen_Bond_Donor_Count	1
3073763	Structure_Complexity	221
129758641	Defined_Atom_Stereo_Count	0
10199016	Isotope_Atom_Count	0
57575	TPSA	111
154016567	Defined_Bond_Stereo_Count	0
66603137	Defined_Bond_Stereo_Count	0
129754695	Undefined_Atom_Stereo_Count	2
12309467	Defined_Bond_Stereo_Count	0
6984	Exact_Mass	150.104465066
423792	Hydrogen_Bond_Acceptor_Count	3
11126189	Covalent_Unit_Count	1
3239235	Structure_Complexity	414
25600	Exact_Mass	193.05613515
129652160	Structure_Complexity	233
72155	Hydrogen_Bond_Donor_Count	0
54289557	Mono_Isotopic_Weight	132.115029749
15673	Exact_Mass	229.844053
3000241	Non-hydrogen_Atom_Count	10
20056625	Isotope_Atom_Count	0
97113	Rotatable_Bond_Count	1
451270	Total_Formal_Charge	0
15535343	Undefined_Atom_Stereo_Count	1
136346	TPSA	40.5
44455782	Isotope_Atom_Count	0
14355861	Isotope_Atom_Count	0
31781	TPSA	99.7
138471783	Defined_Bond_Stereo_Count	0
9971980	Total_Formal_Charge	0
6974	Isotope_Atom_Count	0
170359	Isotope_Atom_Count	0
135565940	Isotope_Atom_Count	0
76973216	Tautomer_Count	1
57515833	Defined_Bond_Stereo_Count	0
57173187	Structure_Complexity	90.7
6160	Defined_Atom_Stereo_Count	0
2724372	Structure_Complexity	412
6620134	Exact_Mass	445.20015635
97646	Structure_Complexity	129
2786	Tautomer_Count	2
906815	Mono_Isotopic_Weight	345.11471265
12315192	TPSA	120
3681	Isotope_Atom_Count	0
5282948	Defined_Bond_Stereo_Count	2
193653	Total_Formal_Charge	0
3791	Covalent_Unit_Count	1
54292763	Structure_Complexity	66.5
53723365	Rotatable_Bond_Count	2
58611	Undefined_Atom_Stereo_Count	0
102390049	Molecular_Weight	336.3
92416	Hydrogen_Bond_Acceptor_Count	4
7153	Non-hydrogen_Atom_Count	14
6194	Structure_Complexity	288
11499204	Isotope_Atom_Count	0
5367706	XLogP3	4
67683363	Hydrogen_Bond_Acceptor_Count	10
20709675	Molecular_Weight	115.13
2100	Structure_Complexity	1840
78949	Isotope_Atom_Count	0
21930930	Total_Formal_Charge	0
121763185	Undefined_Atom_Stereo_Count	3
68374690	XLogP3-AA	0.3
49798415	Non-hydrogen_Atom_Count	27
4201	Non-hydrogen_Atom_Count	15
56841020	Rotatable_Bond_Count	4
12444627	Rotatable_Bond_Count	13
53316386	Undefined_Bond_Stereo_Count	0
10358218	Rotatable_Bond_Count	6
76974809	Defined_Atom_Stereo_Count	0
5326956	Covalent_Unit_Count	1
85456	Undefined_Atom_Stereo_Count	0
54757209	Isotope_Atom_Count	0
470202	Defined_Atom_Stereo_Count	0
53481537	Covalent_Unit_Count	1
53395363	Defined_Atom_Stereo_Count	0
59295926	Covalent_Unit_Count	1
197855	Isotope_Atom_Count	0
7651	Tautomer_Count	1
6325	Total_Formal_Charge	0
1382059	Undefined_Bond_Stereo_Count	0
71451929	Defined_Atom_Stereo_Count	2
3933	Undefined_Bond_Stereo_Count	0
91723653	XLogP3-AA	4.7
20769606	Exact_Mass	114.068079557
6375	Hydrogen_Bond_Donor_Count	0
21417010	Non-hydrogen_Atom_Count	8
89131	Defined_Bond_Stereo_Count	0
2608576	Exact_Mass	305.13755610
1111	Non-hydrogen_Atom_Count	55
18622372	Undefined_Bond_Stereo_Count	0
86398	Rotatable_Bond_Count	1
64766	Exact_Mass	389.19507097
24865999	Isotope_Atom_Count	0
104973	Molecular_Weight	335.7
11569	Undefined_Atom_Stereo_Count	0
91250151	XLogP3-AA	2.5
2735101	Isotope_Atom_Count	0
135465079	Covalent_Unit_Count	1
24533	Covalent_Unit_Count	2
13082452	Molecular_Weight	114.14
12836334	Undefined_Atom_Stereo_Count	2
517165	Defined_Atom_Stereo_Count	0
57066209	Non-hydrogen_Atom_Count	8
6066	Defined_Bond_Stereo_Count	0
134338399	Undefined_Bond_Stereo_Count	0
547067	Undefined_Atom_Stereo_Count	1
44200882	Structure_Complexity	623
71707	Tautomer_Count	1
9150	Defined_Atom_Stereo_Count	0
447994	Defined_Atom_Stereo_Count	0
188914	Molecular_Weight	275.21
5366258	Exact_Mass	170.167065321
48654	Defined_Bond_Stereo_Count	0
5281224	Defined_Bond_Stereo_Count	9
4843	Non-hydrogen_Atom_Count	10
24439	Structure_Complexity	36.8
135409438	Tautomer_Count	9
10297065	Mono_Isotopic_Weight	441.06062622
21723	Covalent_Unit_Count	1
36689113	TPSA	114
124510	TPSA	55.5
27347	Non-hydrogen_Atom_Count	17
3048	Total_Formal_Charge	0
581383	TPSA	18.5
5351457	Molecular_Weight	654.8
391144	Covalent_Unit_Count	1
11715169	Structure_Complexity	139
121732	XLogP3-AA	1.4
7906	Hydrogen_Bond_Donor_Count	0
11744644	Hydrogen_Bond_Donor_Count	3
23703	Structure_Complexity	650
19966535	Isotope_Atom_Count	0
68022407	Hydrogen_Bond_Donor_Count	0
153989152	Undefined_Atom_Stereo_Count	0
1216	Isotope_Atom_Count	0
3085281	Mono_Isotopic_Weight	752.77339506
10887835	Hydrogen_Bond_Acceptor_Count	1
121208105	Hydrogen_Bond_Donor_Count	1
11815322	Defined_Atom_Stereo_Count	0
21831691	Undefined_Bond_Stereo_Count	0
150841	Hydrogen_Bond_Donor_Count	1
9265	Mono_Isotopic_Weight	98.109550447
78490	Undefined_Bond_Stereo_Count	0
74809	Non-hydrogen_Atom_Count	16
6219	TPSA	29.5
11398	Rotatable_Bond_Count	2
627812	TPSA	86.1
49783923	Defined_Atom_Stereo_Count	2
5355853	Total_Formal_Charge	0
7551	Tautomer_Count	2
9917013	TPSA	145
6917662	Defined_Atom_Stereo_Count	2
20727	Undefined_Atom_Stereo_Count	0
126011	Undefined_Atom_Stereo_Count	7
268370	Structure_Complexity	395
199480	Isotope_Atom_Count	0
54303301	Structure_Complexity	70.1
53762932	Undefined_Bond_Stereo_Count	0
144021791	Rotatable_Bond_Count	1
44176376	Molecular_Weight	493.6
21044269	Mono_Isotopic_Weight	100.100048391
97886	Structure_Complexity	238
5356	Defined_Atom_Stereo_Count	0
13425827	Hydrogen_Bond_Acceptor_Count	0
89769287	Hydrogen_Bond_Acceptor_Count	2
66409	Molecular_Weight	426.6
83003418	Undefined_Atom_Stereo_Count	0
3478	Covalent_Unit_Count	1
5107	Hydrogen_Bond_Donor_Count	4
42174	Undefined_Atom_Stereo_Count	1
5324166	Total_Formal_Charge	0
71663	Mono_Isotopic_Weight	474.1562462
21864164	Defined_Bond_Stereo_Count	0
160817	Covalent_Unit_Count	1
91264731	Molecular_Weight	94.15
66733	Mono_Isotopic_Weight	217.05613515
156120	Mono_Isotopic_Weight	98.036779430
9000	Undefined_Atom_Stereo_Count	0
11137	Tautomer_Count	3
88958947	Isotope_Atom_Count	0
444913	Molecular_Weight	972.8
120942	Hydrogen_Bond_Acceptor_Count	7
9961	Exact_Mass	124.03358575
115	Mono_Isotopic_Weight	229.03513872
24884255	Non-hydrogen_Atom_Count	22
18728	Defined_Atom_Stereo_Count	0
56208	Molecular_Weight	385.4
63409	Total_Formal_Charge	0
5944	Undefined_Atom_Stereo_Count	0
13479278	Rotatable_Bond_Count	1
21863274	Total_Formal_Charge	0
1549065	Structure_Complexity	426
5793	Hydrogen_Bond_Donor_Count	5
7855	Tautomer_Count	1
25607	Structure_Complexity	152
3927	Isotope_Atom_Count	0
135398596	Tautomer_Count	9
129872	TPSA	6.5
5319879	Rotatable_Bond_Count	19
162990684	Undefined_Bond_Stereo_Count	0
85891258	Exact_Mass	113.120449483
6918140	TPSA	87
44310763	Defined_Bond_Stereo_Count	0
7400	Non-hydrogen_Atom_Count	11
10337564	Exact_Mass	344.152477885
3081078	Covalent_Unit_Count	1
5486971	Non-hydrogen_Atom_Count	11
13203950	TPSA	12.5
105970	Mono_Isotopic_Weight	245.98342370
4110	Defined_Atom_Stereo_Count	0
11993	TPSA	0
2251	Rotatable_Bond_Count	8
70919851	Isotope_Atom_Count	0
6436143	Exact_Mass	1578.658339
131839580	Mono_Isotopic_Weight	681.24869948
20087060	Hydrogen_Bond_Donor_Count	2
79148	Defined_Atom_Stereo_Count	0
7386	Rotatable_Bond_Count	0
13032471	Isotope_Atom_Count	0
92253	Undefined_Atom_Stereo_Count	0
20784557	Total_Formal_Charge	0
91753	Hydrogen_Bond_Acceptor_Count	4
1923	Hydrogen_Bond_Donor_Count	1
14236	Undefined_Bond_Stereo_Count	0
66264	Exact_Mass	267.1001617
295965	Structure_Complexity	97.7
7463	Rotatable_Bond_Count	1
20682	Mono_Isotopic_Weight	82.078250319
75464	Structure_Complexity	74.5
67462786	Exact_Mass	446.24302422
10638446	Undefined_Atom_Stereo_Count	0
67532	Tautomer_Count	2
68323	Hydrogen_Bond_Acceptor_Count	1
92839	Exact_Mass	152.083729621
136630882	Covalent_Unit_Count	1
688	TPSA	146
71206	Rotatable_Bond_Count	23
1211493	Covalent_Unit_Count	1
27879	Exact_Mass	303.14705815
5460570	Structure_Complexity	2.8
17734	Mono_Isotopic_Weight	255.12190603
53174	Non-hydrogen_Atom_Count	20
8413	Exact_Mass	212.131348519
933147	Undefined_Atom_Stereo_Count	0
6604042	Undefined_Bond_Stereo_Count	0
43708	Total_Formal_Charge	0
117852135	Covalent_Unit_Count	1
87219154	Molecular_Weight	101.10
10219385	Exact_Mass	97.052763847
24197375	Hydrogen_Bond_Donor_Count	3
15074	Non-hydrogen_Atom_Count	9
10407447	Defined_Atom_Stereo_Count	8
135942119	Non-hydrogen_Atom_Count	33
76223462	Isotope_Atom_Count	0
6603836	Total_Formal_Charge	0
61259	Undefined_Bond_Stereo_Count	0
21080	Total_Formal_Charge	0
6918973	Hydrogen_Bond_Acceptor_Count	4
66733	Defined_Bond_Stereo_Count	0
8855	Defined_Atom_Stereo_Count	0
79834	Hydrogen_Bond_Donor_Count	1
137319715	Defined_Bond_Stereo_Count	0
12594991	Defined_Bond_Stereo_Count	0
64772	Isotope_Atom_Count	0
145721395	Exact_Mass	839.18163
6917857	Exact_Mass	394.27192431
6453729	Exact_Mass	260.05792605
5271565	Hydrogen_Bond_Acceptor_Count	4
1282	Covalent_Unit_Count	1
21872090	Total_Formal_Charge	0
5354626	Hydrogen_Bond_Acceptor_Count	3
110640	Isotope_Atom_Count	0
66251	Tautomer_Count	1
70003	Undefined_Bond_Stereo_Count	0
20752353	Isotope_Atom_Count	0
8219	Total_Formal_Charge	0
107377	Rotatable_Bond_Count	8
616236	Defined_Atom_Stereo_Count	0
10949861	Undefined_Bond_Stereo_Count	0
7822	Exact_Mass	128.120115130
9830615	Molecular_Weight	626.6
17396	Undefined_Bond_Stereo_Count	0
122499	Hydrogen_Bond_Donor_Count	1
16073666	Exact_Mass	650.20959912
20555317	Molecular_Weight	76.10
1712094	Undefined_Bond_Stereo_Count	0
87470	Defined_Atom_Stereo_Count	0
11625778	Undefined_Bond_Stereo_Count	0
2803172	TPSA	67.4
32052	Rotatable_Bond_Count	2
41515	XLogP3-AA	3.6
71117	Rotatable_Bond_Count	5
522708	XLogP3-AA	1.6
24483	Hydrogen_Bond_Donor_Count	0
21325329	Covalent_Unit_Count	1
66193	Molecular_Weight	174.19
5619	Undefined_Bond_Stereo_Count	0
66169	Undefined_Atom_Stereo_Count	0
248961	Molecular_Weight	98.15
444753	Exact_Mass	177.04864447
147895	XLogP3	2.2
9905438	Structure_Complexity	393
45357485	Total_Formal_Charge	0
6996	Hydrogen_Bond_Acceptor_Count	1
15558638	TPSA	43.4
123208701	Undefined_Atom_Stereo_Count	3
32742	Molecular_Weight	114.14
66609526	Molecular_Weight	110.11
146159250	Structure_Complexity	1450
22168583	Total_Formal_Charge	0
11974213	Molecular_Weight	485.0
16426	Covalent_Unit_Count	1
55289397	Non-hydrogen_Atom_Count	7
6429536	Undefined_Atom_Stereo_Count	0
6604909	Rotatable_Bond_Count	9
5102	Undefined_Bond_Stereo_Count	0
6041	Hydrogen_Bond_Acceptor_Count	3
90983133	Molecular_Weight	96.17
93203	Hydrogen_Bond_Acceptor_Count	4
136506065	Hydrogen_Bond_Donor_Count	2
11890	Molecular_Weight	181.15
15174357	Molecular_Weight	114.19
136498	Defined_Atom_Stereo_Count	0
34815	Total_Formal_Charge	0
263	Molecular_Weight	74.12
458139	Hydrogen_Bond_Acceptor_Count	1
10675	Hydrogen_Bond_Acceptor_Count	4
67425	XLogP3-AA	4.1
494148	Undefined_Atom_Stereo_Count	8
10517	Rotatable_Bond_Count	9
282752	Structure_Complexity	267
15186998	Undefined_Bond_Stereo_Count	0
9313	Non-hydrogen_Atom_Count	13
10113	Covalent_Unit_Count	1
72554	Molecular_Weight	392.5
749824	Covalent_Unit_Count	1
23005646	Covalent_Unit_Count	1
9967055	Undefined_Atom_Stereo_Count	0
459235	Hydrogen_Bond_Acceptor_Count	2
400185	Defined_Atom_Stereo_Count	0
11350701	Exact_Mass	421.1656007
108223	Mono_Isotopic_Weight	164.06847348
4438527	Covalent_Unit_Count	1
198008	Molecular_Weight	482.17
7959	Covalent_Unit_Count	1
4286	Exact_Mass	341.22156050
73773	Covalent_Unit_Count	1
110862	Defined_Bond_Stereo_Count	0
44280082	TPSA	71.5
4846	Mono_Isotopic_Weight	308.04332136
53361968	Isotope_Atom_Count	0
1340	Undefined_Bond_Stereo_Count	0
45488110	Defined_Bond_Stereo_Count	0
159889	Rotatable_Bond_Count	4
26945	Undefined_Atom_Stereo_Count	0
126961192	Undefined_Bond_Stereo_Count	0
456390	Exact_Mass	413.01418
49800000	Defined_Atom_Stereo_Count	0
2092	Non-hydrogen_Atom_Count	28
60155459	Isotope_Atom_Count	0
66903	Hydrogen_Bond_Acceptor_Count	2
11953931	Undefined_Bond_Stereo_Count	0
22182162	Undefined_Atom_Stereo_Count	0
48	Molecular_Weight	145.11
13283	Undefined_Bond_Stereo_Count	0
593369	XLogP3-AA	3.7
9861	Exact_Mass	288.28284396
9549303	Defined_Bond_Stereo_Count	0
27944	Defined_Bond_Stereo_Count	0
2735043	Structure_Complexity	379
24139	Rotatable_Bond_Count	2
12550	Undefined_Bond_Stereo_Count	0
71306834	Isotope_Atom_Count	0
37767	Mono_Isotopic_Weight	713.42599985
23702658	Tautomer_Count	4
51346964	Covalent_Unit_Count	1
47759	Exact_Mass	382.15624311
81531	Exact_Mass	129.151749610
6918498	Structure_Complexity	503
72402	Exact_Mass	363.12190603
2791	Molecular_Weight	467.0
9576412	Undefined_Atom_Stereo_Count	0
523523	Defined_Atom_Stereo_Count	0
61633	TPSA	34.1
151497	Total_Formal_Charge	0
5280896	Hydrogen_Bond_Acceptor_Count	4
41097850	Covalent_Unit_Count	1
10996972	XLogP3-AA	1.4
24848341	Mono_Isotopic_Weight	285.14254485
108054	XLogP3-AA	1.2
3082781	Undefined_Atom_Stereo_Count	0
66577116	Undefined_Atom_Stereo_Count	1
11514319	Defined_Atom_Stereo_Count	0
13704283	Mono_Isotopic_Weight	114.079312947
9643	Hydrogen_Bond_Donor_Count	0
11293303	Mono_Isotopic_Weight	428.1229399
6918454	TPSA	50.4
10038849	Undefined_Bond_Stereo_Count	0
87821824	Undefined_Atom_Stereo_Count	2
96198	Defined_Atom_Stereo_Count	0
17884104	Molecular_Weight	110.20
151172	Total_Formal_Charge	0
71302984	Isotope_Atom_Count	0
12315	Exact_Mass	73.089149355
71371762	Isotope_Atom_Count	0
390986	Isotope_Atom_Count	0
25094902	XLogP3-AA	2.4
83335	XLogP3	3.2
13327310	XLogP3-AA	0.2
271792	Covalent_Unit_Count	1
219301	Rotatable_Bond_Count	3
66002	Defined_Bond_Stereo_Count	0
12702817	Covalent_Unit_Count	1
71301229	Molecular_Weight	754.6
3085023	Molecular_Weight	114.15
84647611	Defined_Atom_Stereo_Count	0
153519852	Rotatable_Bond_Count	2
6917871	Structure_Complexity	1100
893947	Exact_Mass	253.0669699
22737404	Defined_Bond_Stereo_Count	0
102068104	XLogP3-AA	1
94169	Hydrogen_Bond_Acceptor_Count	11
134988089	Defined_Bond_Stereo_Count	0
65815658	Defined_Atom_Stereo_Count	0
63992	Undefined_Atom_Stereo_Count	1
69501250	TPSA	73.6
54153355	Hydrogen_Bond_Donor_Count	2
5282483	Covalent_Unit_Count	3
18212	Isotope_Atom_Count	0
9087	Molecular_Weight	171.15
11073379	Covalent_Unit_Count	1
155907170	Undefined_Atom_Stereo_Count	0
535717	Undefined_Bond_Stereo_Count	0
10107393	Covalent_Unit_Count	1
11170931	Undefined_Atom_Stereo_Count	0
22611874	Hydrogen_Bond_Acceptor_Count	1
659064	TPSA	55.8
11850983	Molecular_Weight	291.5
72898	Undefined_Bond_Stereo_Count	0
447249	Rotatable_Bond_Count	7
129320410	Rotatable_Bond_Count	8
134019	TPSA	123
22918656	Undefined_Atom_Stereo_Count	0
122214878	Undefined_Bond_Stereo_Count	0
355	Molecular_Weight	166.13
9049	Molecular_Weight	251.71
12068306	Defined_Bond_Stereo_Count	0
91617740	Isotope_Atom_Count	0
43233	Molecular_Weight	300.14
139032508	Defined_Atom_Stereo_Count	0
11378474	Undefined_Atom_Stereo_Count	0
590130	Total_Formal_Charge	0
12785	Total_Formal_Charge	0
16837	Hydrogen_Bond_Acceptor_Count	5
90825254	Defined_Bond_Stereo_Count	0
5360134	Defined_Atom_Stereo_Count	0
3955344	Tautomer_Count	16
65028	Mono_Isotopic_Weight	312.20490738
424747	Molecular_Weight	298.4
67979	Non-hydrogen_Atom_Count	11
48870	Isotope_Atom_Count	0
87367	Undefined_Atom_Stereo_Count	0
62556	Defined_Atom_Stereo_Count	0
20565024	Total_Formal_Charge	0
2794	Undefined_Bond_Stereo_Count	0
14552708	Defined_Atom_Stereo_Count	0
232656	Structure_Complexity	120
17980418	Hydrogen_Bond_Acceptor_Count	4
73802	Undefined_Bond_Stereo_Count	0
2733531	Total_Formal_Charge	0
24906273	Hydrogen_Bond_Acceptor_Count	5
833992	Undefined_Bond_Stereo_Count	0
9402	Undefined_Atom_Stereo_Count	7
13130	Undefined_Bond_Stereo_Count	0
58666267	Isotope_Atom_Count	0
53467	Undefined_Atom_Stereo_Count	0
556836	Hydrogen_Bond_Acceptor_Count	1
657237	Mono_Isotopic_Weight	285.08733204
12462027	XLogP3-AA	1
25014762	TPSA	66
847313	Exact_Mass	296.09431156
9935526	Total_Formal_Charge	0
88666	TPSA	35.2
1814	Defined_Bond_Stereo_Count	0
12540907	Mono_Isotopic_Weight	101.047678466
91272	Structure_Complexity	429
5277135	XLogP3-AA	5.3
69396	Mono_Isotopic_Weight	117.078978594
170295	Tautomer_Count	1
154247752	Molecular_Weight	104.15
8919	Tautomer_Count	1
139307343	Hydrogen_Bond_Acceptor_Count	3
3016390	Mono_Isotopic_Weight	118.099379685
56973724	Exact_Mass	452.25358890
6400	Defined_Atom_Stereo_Count	0
30323	Tautomer_Count	54
5493321	Exact_Mass	408.12969158
21124737	Undefined_Bond_Stereo_Count	0
23552425	TPSA	41.1
291703	Rotatable_Bond_Count	1
533920	Exact_Mass	99.068413911
19527	Molecular_Weight	341.4
72194	Total_Formal_Charge	0
2197	Non-hydrogen_Atom_Count	19
32804	Covalent_Unit_Count	1
60196356	Hydrogen_Bond_Acceptor_Count	8
14967651	TPSA	17.1
160932	Defined_Bond_Stereo_Count	0
24027	Tautomer_Count	1
55288974	Structure_Complexity	155
3020188	Tautomer_Count	3
13584912	Non-hydrogen_Atom_Count	15
8497	Covalent_Unit_Count	1
9548816	Isotope_Atom_Count	0
439286	Hydrogen_Bond_Donor_Count	1
25171665	Undefined_Atom_Stereo_Count	0
16064	TPSA	57.5
13699300	Undefined_Atom_Stereo_Count	1
135399748	Tautomer_Count	13
968625	Mono_Isotopic_Weight	330.10381361
19876371	Molecular_Weight	86.09
7133	Undefined_Bond_Stereo_Count	0
122188	Undefined_Bond_Stereo_Count	0
50993724	Defined_Bond_Stereo_Count	0
2332	Rotatable_Bond_Count	1
13346655	XLogP3-AA	1.2
665063	Non-hydrogen_Atom_Count	25
12550332	Exact_Mass	101.047678466
4658963	Hydrogen_Bond_Acceptor_Count	2
179697	Tautomer_Count	4
67215	Hydrogen_Bond_Donor_Count	0
7098	Undefined_Atom_Stereo_Count	0
567118	Mono_Isotopic_Weight	99.043261792
135399833	Defined_Bond_Stereo_Count	0
19385647	Total_Formal_Charge	0
42350	Total_Formal_Charge	0
12307804	Covalent_Unit_Count	1
70543261	Defined_Bond_Stereo_Count	0
141850000	Covalent_Unit_Count	1
132	Hydrogen_Bond_Acceptor_Count	10
4668904	Mono_Isotopic_Weight	241.8703672
10677836	XLogP3-AA	7.5
89061875	Structure_Complexity	103
136010411	Hydrogen_Bond_Acceptor_Count	3
11194	Mono_Isotopic_Weight	98.073164938
80676	Hydrogen_Bond_Acceptor_Count	2
75358112	Non-hydrogen_Atom_Count	28
123	Hydrogen_Bond_Donor_Count	3
139058315	Structure_Complexity	537
140159201	Hydrogen_Bond_Acceptor_Count	2
229455	TPSA	43.4
5316860	Molecular_Weight	372.4
60420	Hydrogen_Bond_Donor_Count	1
69242	Undefined_Bond_Stereo_Count	0
16759993	Defined_Atom_Stereo_Count	2
44266427	Mono_Isotopic_Weight	282.14672380
10181898	Covalent_Unit_Count	1
54680694	Undefined_Bond_Stereo_Count	0
225703	Covalent_Unit_Count	1
134564038	Total_Formal_Charge	0
13726	Non-hydrogen_Atom_Count	17
9955116	Structure_Complexity	644
2087	Total_Formal_Charge	0
4497	Undefined_Atom_Stereo_Count	1
55423	Defined_Bond_Stereo_Count	0
24868269	Hydrogen_Bond_Donor_Count	2
39764	Hydrogen_Bond_Acceptor_Count	6
90961655	Non-hydrogen_Atom_Count	7
289847	Non-hydrogen_Atom_Count	12
139062526	Defined_Bond_Stereo_Count	0
1396	Total_Formal_Charge	0
698851	Defined_Bond_Stereo_Count	0
10267079	Undefined_Bond_Stereo_Count	0
817623	Molecular_Weight	312.4
13638937	Molecular_Weight	257.23
60196332	Defined_Atom_Stereo_Count	1
9068	Defined_Bond_Stereo_Count	0
11448496	Non-hydrogen_Atom_Count	11
83971	Molecular_Weight	893.0
3037565	Undefined_Atom_Stereo_Count	0
6642	Structure_Complexity	235
439168	Total_Formal_Charge	0
34364440	Rotatable_Bond_Count	1
9985155	Undefined_Bond_Stereo_Count	0
3082131	Hydrogen_Bond_Acceptor_Count	3
587128	Undefined_Bond_Stereo_Count	0
2518	Covalent_Unit_Count	1
76819	Rotatable_Bond_Count	2
134931805	Mono_Isotopic_Weight	112.088815002
67629	Mono_Isotopic_Weight	236.1707067
44327552	Structure_Complexity	234
22385449	Defined_Atom_Stereo_Count	0
4500	TPSA	30.5
558359	Defined_Atom_Stereo_Count	0
6971136	Exact_Mass	232.02796859
15166	Non-hydrogen_Atom_Count	11
25171607	TPSA	86
91599894	Rotatable_Bond_Count	0
11689	Tautomer_Count	5
13424661	Covalent_Unit_Count	1
11574877	Covalent_Unit_Count	1
85909569	Undefined_Atom_Stereo_Count	1
145994598	Covalent_Unit_Count	1
24751	Isotope_Atom_Count	0
11668120	Hydrogen_Bond_Acceptor_Count	4
68778	Isotope_Atom_Count	0
101675604	Tautomer_Count	4
49227	Rotatable_Bond_Count	5
140582	Isotope_Atom_Count	0
22304	Structure_Complexity	308
12470257	Undefined_Bond_Stereo_Count	0
612743	Hydrogen_Bond_Donor_Count	1
70935	Structure_Complexity	128
87322	Hydrogen_Bond_Acceptor_Count	6
53479	Undefined_Atom_Stereo_Count	0
14990169	Undefined_Bond_Stereo_Count	0
9577004	Rotatable_Bond_Count	1
91819969	XLogP3-AA	0.6
5687	Molecular_Weight	297.31
99681	Tautomer_Count	5
161236	Structure_Complexity	372
442196	Undefined_Atom_Stereo_Count	0
69294796	Structure_Complexity	1200
11526	Non-hydrogen_Atom_Count	8
54793	Rotatable_Bond_Count	4
54710618	Undefined_Bond_Stereo_Count	0
36190	TPSA	21.7
6569	Tautomer_Count	3
12014	Rotatable_Bond_Count	1
5182526	Hydrogen_Bond_Donor_Count	0
23327	Isotope_Atom_Count	0
123258031	Mono_Isotopic_Weight	110.073164938
13157	Total_Formal_Charge	0
23488	Undefined_Bond_Stereo_Count	0
2723816	Exact_Mass	96.01872368
75825	Isotope_Atom_Count	0
69027241	Defined_Bond_Stereo_Count	0
2202	Total_Formal_Charge	0
44586930	Molecular_Weight	275.31
21131860	Undefined_Bond_Stereo_Count	0
71325379	Mono_Isotopic_Weight	108.057514874
118984457	TPSA	2570
6918663	Total_Formal_Charge	0
11597936	Hydrogen_Bond_Donor_Count	1
810229	Non-hydrogen_Atom_Count	23
65919626	Mono_Isotopic_Weight	97.052763847
43833360	Exact_Mass	291.1389920
90769054	Covalent_Unit_Count	1
20662793	Hydrogen_Bond_Acceptor_Count	1
9963430	Hydrogen_Bond_Donor_Count	4
171558	Hydrogen_Bond_Acceptor_Count	12
90908946	Exact_Mass	1201.84136802
19838382	Defined_Atom_Stereo_Count	0
16404350	Exact_Mass	1201.84136802
9815578	XLogP3-AA	1.1
10373	Molecular_Weight	247.33
404161	TPSA	119
5361919	Total_Formal_Charge	0
5489410	Defined_Bond_Stereo_Count	1
118158	Non-hydrogen_Atom_Count	6
5327150	Structure_Complexity	578
14671256	TPSA	3.2
20090062	TPSA	40.5
10621	Non-hydrogen_Atom_Count	43
417753	Exact_Mass	495.1275944
304035	Non-hydrogen_Atom_Count	7
57265913	Non-hydrogen_Atom_Count	8
963715	Structure_Complexity	450
131698851	Rotatable_Bond_Count	10
12407016	Rotatable_Bond_Count	0
87147109	Isotope_Atom_Count	0
22149470	Defined_Bond_Stereo_Count	0
130664213	Total_Formal_Charge	0
6746	Molecular_Weight	412.7
436515	Exact_Mass	367.04331
76860	Undefined_Bond_Stereo_Count	0
64498	Mono_Isotopic_Weight	193.146664230
21324831	Defined_Atom_Stereo_Count	0
44201342	Exact_Mass	5134.7233503
75409771	TPSA	427
7118	Total_Formal_Charge	0
68009554	Hydrogen_Bond_Donor_Count	8
2728270	Non-hydrogen_Atom_Count	24
16719	Undefined_Bond_Stereo_Count	0
44560807	Total_Formal_Charge	0
4171	Exact_Mass	267.18344366
58630	Non-hydrogen_Atom_Count	21
3034479	Defined_Atom_Stereo_Count	5
6656	Molecular_Weight	100.12
6602383	Undefined_Bond_Stereo_Count	0
2216	Hydrogen_Bond_Acceptor_Count	2
13991589	Isotope_Atom_Count	0
67434749	Undefined_Atom_Stereo_Count	2
69834	Undefined_Atom_Stereo_Count	0
14200416	Defined_Bond_Stereo_Count	0
3034742	Total_Formal_Charge	0
101484762	Structure_Complexity	155
78236	Isotope_Atom_Count	0
9865442	XLogP3	2.6
86137	Tautomer_Count	3
19935256	Exact_Mass	99.043261792
84311	Structure_Complexity	93.6
44562468	Molecular_Weight	238.24
56935	Defined_Atom_Stereo_Count	0
2723733	TPSA	200
87106789	Covalent_Unit_Count	2
121972	Mono_Isotopic_Weight	340.06478
22288608	Exact_Mass	106.053098200
11712071	Exact_Mass	449.1982382
5281614	XLogP3-AA	2
208953	Defined_Bond_Stereo_Count	0
9885626	Hydrogen_Bond_Acceptor_Count	5
8352	Isotope_Atom_Count	0
116701105	Molecular_Weight	104.15
18087	Rotatable_Bond_Count	0
141169621	Structure_Complexity	81.8
10888095	XLogP3	1.7
68009	TPSA	17.1
815404	Molecular_Weight	302.32
11813918	Hydrogen_Bond_Donor_Count	9
43215	Isotope_Atom_Count	0
20239	Covalent_Unit_Count	1
71752170	Hydrogen_Bond_Donor_Count	1
44644	Tautomer_Count	1
11326613	Defined_Atom_Stereo_Count	0
5354	TPSA	57.6
136649153	Mono_Isotopic_Weight	203.11709544
11189402	Hydrogen_Bond_Acceptor_Count	8
5373603	XLogP3-AA	2.6
131673970	Defined_Bond_Stereo_Count	0
13266	Structure_Complexity	236
133561657	Non-hydrogen_Atom_Count	47
135546352	Total_Formal_Charge	0
65513	Total_Formal_Charge	0
54046	XLogP3-AA	2.8
44284481	Defined_Atom_Stereo_Count	23
12079	Defined_Atom_Stereo_Count	0
15324722	Undefined_Atom_Stereo_Count	0
56842070	Structure_Complexity	153
12505483	Molecular_Weight	111.14
83860	Non-hydrogen_Atom_Count	42
728	Mono_Isotopic_Weight	251.883389
17846631	XLogP3-AA	0.3
5056739	TPSA	29.5
29758	Structure_Complexity	158
89200515	Defined_Atom_Stereo_Count	3
2826731	Mono_Isotopic_Weight	255.0784668
77843966	Defined_Bond_Stereo_Count	1
16399351	Hydrogen_Bond_Donor_Count	1
5252324	Hydrogen_Bond_Acceptor_Count	2
11262	Mono_Isotopic_Weight	100.088815002
11705141	Hydrogen_Bond_Acceptor_Count	5
16832	Covalent_Unit_Count	1
54541930	Total_Formal_Charge	0
70676631	Covalent_Unit_Count	3
398740	Defined_Bond_Stereo_Count	0
2826731	Hydrogen_Bond_Donor_Count	2
8292	Structure_Complexity	306
165437289	Defined_Bond_Stereo_Count	2
90658087	Mono_Isotopic_Weight	335.05556307
16131191	Undefined_Bond_Stereo_Count	0
6300	Undefined_Bond_Stereo_Count	0
93841	Molecular_Weight	258.31
81655	Total_Formal_Charge	0
49864533	Hydrogen_Bond_Acceptor_Count	3
102967	TPSA	18.5
10614	XLogP3-AA	5.3
5930	Hydrogen_Bond_Donor_Count	6
135565596	Isotope_Atom_Count	0
973122	Hydrogen_Bond_Donor_Count	2
2863	Defined_Bond_Stereo_Count	0
46841789	Non-hydrogen_Atom_Count	34
13005	Structure_Complexity	122
33558	Hydrogen_Bond_Donor_Count	0
444360	Isotope_Atom_Count	0
21242611	Exact_Mass	309.17357019
4591	Mono_Isotopic_Weight	790.52311317
34295	Undefined_Bond_Stereo_Count	0
86855	Defined_Atom_Stereo_Count	0
35020890	Molecular_Weight	334.4
71264	Hydrogen_Bond_Donor_Count	1
45109807	Total_Formal_Charge	0
15209807	Defined_Atom_Stereo_Count	0
3748774	Molecular_Weight	156.08
181287	XLogP3-AA	1.3
3081386	Total_Formal_Charge	0
585133	Exact_Mass	219.162314293
65662	Exact_Mass	267.125928785
54544	Tautomer_Count	1
129600765	Covalent_Unit_Count	1
21312986	Exact_Mass	112.063662883
6604605	Undefined_Atom_Stereo_Count	0
24825270	Undefined_Bond_Stereo_Count	0
54378536	TPSA	0
5811	Undefined_Atom_Stereo_Count	0
213056	Total_Formal_Charge	0
23533634	Non-hydrogen_Atom_Count	8
12140167	Undefined_Bond_Stereo_Count	0
129600764	Molecular_Weight	342.30
92395	Non-hydrogen_Atom_Count	28
15567	Undefined_Atom_Stereo_Count	0
4736	Rotatable_Bond_Count	2
22817	Undefined_Atom_Stereo_Count	0
138041	Defined_Bond_Stereo_Count	0
66536	Isotope_Atom_Count	0
20372060	Molecular_Weight	113.11
11837140	Defined_Bond_Stereo_Count	0
64666823	Exact_Mass	100.088815002
44393512	Hydrogen_Bond_Acceptor_Count	12
54575456	Hydrogen_Bond_Donor_Count	2
29215	Structure_Complexity	316
52941509	TPSA	42.4
27423	Hydrogen_Bond_Donor_Count	0
8497	Molecular_Weight	167.12
2971	Molecular_Weight	322.4
130411460	Structure_Complexity	2330
225710	Structure_Complexity	86.1
2734931	Molecular_Weight	156.06
65533	Hydrogen_Bond_Donor_Count	6
123752006	Total_Formal_Charge	0
248271	Non-hydrogen_Atom_Count	30
57930746	Molecular_Weight	109.13
129675901	Defined_Bond_Stereo_Count	0
91230338	Molecular_Weight	110.20
10290734	TPSA	26
5311036	Defined_Atom_Stereo_Count	0
6854	Non-hydrogen_Atom_Count	13
42201	Hydrogen_Bond_Acceptor_Count	4
5328791	Covalent_Unit_Count	1
54033586	Undefined_Atom_Stereo_Count	2
42645244	Non-hydrogen_Atom_Count	35
43899	Undefined_Bond_Stereo_Count	0
164946793	Undefined_Atom_Stereo_Count	0
14410	Rotatable_Bond_Count	2
56962215	TPSA	29.5
11443029	Molecular_Weight	480.9
449035	Mono_Isotopic_Weight	299.12699141
72023	Covalent_Unit_Count	1
11916	Rotatable_Bond_Count	1
6992089	Exact_Mass	132.05349212
13184281	Mono_Isotopic_Weight	118.062994177
9831581	Defined_Bond_Stereo_Count	0
135596593	Hydrogen_Bond_Acceptor_Count	14
102551	Tautomer_Count	9
135019886	Non-hydrogen_Atom_Count	23
91114160	Undefined_Bond_Stereo_Count	0
76054	XLogP3-AA	1.3
60165806	Defined_Atom_Stereo_Count	1
57888	Rotatable_Bond_Count	11
12248	Hydrogen_Bond_Acceptor_Count	1
66357	Undefined_Atom_Stereo_Count	0
13413802	Molecular_Weight	113.16
15887890	Defined_Bond_Stereo_Count	0
3375	TPSA	94.8
40469421	Isotope_Atom_Count	0
735319	Undefined_Bond_Stereo_Count	0
10709065	Hydrogen_Bond_Acceptor_Count	4
475	Structure_Complexity	264
88553883	Structure_Complexity	108
15437	Mono_Isotopic_Weight	206.07251349
75931	Total_Formal_Charge	0
23665763	Non-hydrogen_Atom_Count	5
236566	Total_Formal_Charge	0
119033	Undefined_Atom_Stereo_Count	0
6321432	Mono_Isotopic_Weight	645.23224432
53316418	Exact_Mass	384.99109039
5330196	Mono_Isotopic_Weight	456.1564330
45116623	Undefined_Atom_Stereo_Count	1
1437819	Covalent_Unit_Count	1
87639	Structure_Complexity	292
68380382	Structure_Complexity	113
16760627	Molecular_Weight	570.6
91301938	TPSA	26.3
537445	Undefined_Atom_Stereo_Count	1
178024	TPSA	130
12344797	Defined_Atom_Stereo_Count	0
13884	Total_Formal_Charge	0
564980	Defined_Bond_Stereo_Count	0
86277930	Exact_Mass	799.1856278
26133	Structure_Complexity	817
5378015	Structure_Complexity	353
509147	Mono_Isotopic_Weight	296.12214376
12077828	Structure_Complexity	454
3801	Isotope_Atom_Count	0
4722	Undefined_Atom_Stereo_Count	2
21604850	Defined_Atom_Stereo_Count	0
11480417	Mono_Isotopic_Weight	111.068413911
524314	Undefined_Atom_Stereo_Count	0
868031	Total_Formal_Charge	0
102232	Total_Formal_Charge	0
1162	Covalent_Unit_Count	1
55285004	Total_Formal_Charge	0
185617	Defined_Atom_Stereo_Count	5
398701	Defined_Bond_Stereo_Count	0
15825450	Mono_Isotopic_Weight	98.073164938
611162	Defined_Bond_Stereo_Count	0
7320	Molecular_Weight	201.56
3231	Exact_Mass	400.18858861
126	TPSA	37.3
230351	Molecular_Weight	132.16
5284594	Undefined_Atom_Stereo_Count	0
3329	Exact_Mass	285.06709375
139054114	Non-hydrogen_Atom_Count	42
27400	Defined_Atom_Stereo_Count	0
259	Rotatable_Bond_Count	0
7522	Exact_Mass	104.037448136
64771	Defined_Atom_Stereo_Count	9
19966535	Hydrogen_Bond_Donor_Count	4
5271570	Exact_Mass	228.13615911
410029	Exact_Mass	308.9644758
10034581	XLogP3-AA	0.9
3923	Mono_Isotopic_Weight	338.15180918
9981404	Hydrogen_Bond_Acceptor_Count	7
12103	Mono_Isotopic_Weight	159.9846556
53569	Undefined_Bond_Stereo_Count	0
12986478	Defined_Atom_Stereo_Count	0
56841794	TPSA	3160
448653	Non-hydrogen_Atom_Count	54
24775	Molecular_Weight	294.4
22678982	Hydrogen_Bond_Acceptor_Count	6
20299878	Non-hydrogen_Atom_Count	7
9578243	Rotatable_Bond_Count	6
11218470	XLogP3	2.9
11597936	Covalent_Unit_Count	1
141030371	Hydrogen_Bond_Donor_Count	0
101650201	Exact_Mass	364.09200289
726050	Hydrogen_Bond_Acceptor_Count	2
99564	Rotatable_Bond_Count	1
5462653	Total_Formal_Charge	0
642163	Tautomer_Count	1
37367	Rotatable_Bond_Count	3
54526114	Rotatable_Bond_Count	2
10057449	Covalent_Unit_Count	1
70198	Hydrogen_Bond_Donor_Count	0
43858	Defined_Atom_Stereo_Count	0
85570	Molecular_Weight	171.20
17751002	Undefined_Atom_Stereo_Count	0
647893	Molecular_Weight	427.5
129846269	Hydrogen_Bond_Donor_Count	1
44565778	Defined_Atom_Stereo_Count	0
22841634	Non-hydrogen_Atom_Count	16
24767757	Undefined_Atom_Stereo_Count	0
129720364	Molecular_Weight	283.33
6917698	Isotope_Atom_Count	0
71778	Defined_Atom_Stereo_Count	0
3172	TPSA	3.2
44577843	Covalent_Unit_Count	1
263077	Total_Formal_Charge	0
657202	XLogP3-AA	4.2
440918	Defined_Bond_Stereo_Count	0
24848267	Defined_Bond_Stereo_Count	0
18921	Mono_Isotopic_Weight	209.90002
11865459	Total_Formal_Charge	1
16891	Defined_Atom_Stereo_Count	0
403646	Hydrogen_Bond_Acceptor_Count	3
6093170	Hydrogen_Bond_Donor_Count	0
19608838	Non-hydrogen_Atom_Count	8
410914	Exact_Mass	400.17466988
25271884	XLogP3-AA	2.2
62086	Defined_Bond_Stereo_Count	0
165412057	Undefined_Bond_Stereo_Count	0
68009	Rotatable_Bond_Count	1
45086609	Hydrogen_Bond_Donor_Count	2
91826482	Mono_Isotopic_Weight	444.0906928
10855	Non-hydrogen_Atom_Count	16
5320547	Structure_Complexity	255
38706	Covalent_Unit_Count	1
21225236	Mono_Isotopic_Weight	99.032028402
70838	Isotope_Atom_Count	0
70280758	Exact_Mass	443.19911098
125461340	Hydrogen_Bond_Donor_Count	7
717	Mono_Isotopic_Weight	260.02971899
64247	Undefined_Atom_Stereo_Count	0
118988145	Total_Formal_Charge	0
39324	Hydrogen_Bond_Donor_Count	3
303	Molecular_Weight	408.6
21675633	TPSA	9.2
23114997	Defined_Atom_Stereo_Count	0
81981	Covalent_Unit_Count	1
155465	Undefined_Bond_Stereo_Count	0
529287	Non-hydrogen_Atom_Count	8
86063	Undefined_Bond_Stereo_Count	0
65958	Undefined_Bond_Stereo_Count	0
13466096	Total_Formal_Charge	0
87262	Total_Formal_Charge	0
54598431	Structure_Complexity	345
21875354	Covalent_Unit_Count	1
19430196	Hydrogen_Bond_Donor_Count	0
9873	Hydrogen_Bond_Donor_Count	0
46173707	Covalent_Unit_Count	1
90437	Defined_Atom_Stereo_Count	1
104610	Defined_Atom_Stereo_Count	0
14947250	Undefined_Atom_Stereo_Count	0
440046	Total_Formal_Charge	0
53477794	Covalent_Unit_Count	1
73449854	Defined_Bond_Stereo_Count	0
54688	Structure_Complexity	1190
46187519	Hydrogen_Bond_Donor_Count	1
26421	Defined_Atom_Stereo_Count	0
9828356	Undefined_Bond_Stereo_Count	0
93365	Undefined_Atom_Stereo_Count	1
133620	TPSA	78.8
24781	Hydrogen_Bond_Donor_Count	1
57780676	Mono_Isotopic_Weight	102.079312947
44246724	Rotatable_Bond_Count	4
6473878	Isotope_Atom_Count	0
66545	Exact_Mass	238.04121336
1444	Undefined_Bond_Stereo_Count	3
59868328	Structure_Complexity	597
4093	Non-hydrogen_Atom_Count	6
7030	Total_Formal_Charge	0
3716971	TPSA	77.4
123351940	Hydrogen_Bond_Acceptor_Count	0
93847	Total_Formal_Charge	0
121444434	Rotatable_Bond_Count	0
141281584	XLogP3-AA	1.7
11576068	Defined_Bond_Stereo_Count	0
19588	Molecular_Weight	207.27
87279996	Molecular_Weight	113.08
1266	Undefined_Atom_Stereo_Count	1
6336	Structure_Complexity	345
197581	Undefined_Bond_Stereo_Count	0
105031	TPSA	101
94973	Hydrogen_Bond_Acceptor_Count	2
2734248	Undefined_Bond_Stereo_Count	0
439271	Total_Formal_Charge	0
81426	XLogP3-AA	2
12306686	Undefined_Atom_Stereo_Count	3
3506	Defined_Bond_Stereo_Count	0
30538	Rotatable_Bond_Count	0
101049151	Total_Formal_Charge	1
129655960	Hydrogen_Bond_Acceptor_Count	9
66679	Isotope_Atom_Count	0
547696	XLogP3-AA	1.6
87985	TPSA	26.3
20197984	Mono_Isotopic_Weight	100.052429494
9861780	XLogP3	3.7
6999941	XLogP3-AA	2.2
20527	TPSA	40.5
656832	Covalent_Unit_Count	2
82452	Exact_Mass	152.083729621
575893	Mono_Isotopic_Weight	98.000393922
56962215	Mono_Isotopic_Weight	114.068079557
86302	XLogP3-AA	0.5
4564493	Covalent_Unit_Count	1
99290	Mono_Isotopic_Weight	190.09535693
70401991	Covalent_Unit_Count	1
58714	Covalent_Unit_Count	1
250074	Defined_Atom_Stereo_Count	0
363	Non-hydrogen_Atom_Count	4
6289935	Total_Formal_Charge	0
56835143	Undefined_Atom_Stereo_Count	1
605283	Rotatable_Bond_Count	2
5257437	Exact_Mass	96.093900383
3254	Isotope_Atom_Count	0
12581088	Molecular_Weight	110.16
83946	Rotatable_Bond_Count	7
9911502	Tautomer_Count	2
6161	Covalent_Unit_Count	1
3032791	Structure_Complexity	407
1516505	Total_Formal_Charge	0
6154	Exact_Mass	373.27809293
2444	Undefined_Atom_Stereo_Count	1
10285	Undefined_Bond_Stereo_Count	0
12310749	Defined_Atom_Stereo_Count	7
101432819	Hydrogen_Bond_Donor_Count	2
103074361	Defined_Atom_Stereo_Count	0
10975417	Molecular_Weight	99.17
44447915	XLogP3-AA	3
122081	Defined_Atom_Stereo_Count	0
68365445	Isotope_Atom_Count	0
94043	TPSA	106
7786	TPSA	71.1
444590	Mono_Isotopic_Weight	693.31491132
551491	Molecular_Weight	99.09
180504	Mono_Isotopic_Weight	547.90110
705388	Rotatable_Bond_Count	3
54453800	TPSA	54.5
27979	Hydrogen_Bond_Acceptor_Count	2
13331108	XLogP3-AA	0.7
38945	Molecular_Weight	192.26
4460493	Hydrogen_Bond_Donor_Count	0
101643209	Defined_Bond_Stereo_Count	0
5136276	Defined_Atom_Stereo_Count	0
5521	Mono_Isotopic_Weight	161.06056562
81766	Exact_Mass	188.10485899
135270107	Non-hydrogen_Atom_Count	8
9938	Molecular_Weight	130.19
11315250	Molecular_Weight	388.9
46877881	Defined_Bond_Stereo_Count	0
5124249	Molecular_Weight	220.27
2735122	Tautomer_Count	1
9942132	Undefined_Atom_Stereo_Count	1
58423275	XLogP3-AA	2.2
10486	Undefined_Bond_Stereo_Count	0
240534	Hydrogen_Bond_Acceptor_Count	2
16158103	TPSA	684
18990949	Undefined_Atom_Stereo_Count	1
9926621	Non-hydrogen_Atom_Count	23
197839	Defined_Bond_Stereo_Count	0
73110	Mono_Isotopic_Weight	569.0756554
406562	Undefined_Atom_Stereo_Count	0
12431565	Undefined_Atom_Stereo_Count	1
13097	Molecular_Weight	278.3
77341	Total_Formal_Charge	0
60196274	Molecular_Weight	344.8
23721821	Hydrogen_Bond_Acceptor_Count	9
11182588	Non-hydrogen_Atom_Count	8
62092	Defined_Bond_Stereo_Count	0
5351197	Undefined_Bond_Stereo_Count	0
656602	Non-hydrogen_Atom_Count	30
123642549	Undefined_Atom_Stereo_Count	0
67330085	Hydrogen_Bond_Acceptor_Count	11
11412	Rotatable_Bond_Count	3
9911778	Defined_Atom_Stereo_Count	1
34005	Total_Formal_Charge	0
9799	Defined_Bond_Stereo_Count	0
22472382	Molecular_Weight	113.11
71517700	Isotope_Atom_Count	0
5288600	Exact_Mass	311.11575802
65937	Total_Formal_Charge	0
11332471	Mono_Isotopic_Weight	128.04489933
76292	Hydrogen_Bond_Acceptor_Count	2
249502	Exact_Mass	192.151415257
54169147	XLogP3-AA	0.1
1268252	Undefined_Bond_Stereo_Count	0
5250834	Defined_Atom_Stereo_Count	0
13134	Rotatable_Bond_Count	2
11173	Hydrogen_Bond_Acceptor_Count	1
130354549	Defined_Bond_Stereo_Count	0
123417941	Exact_Mass	102.079312947
1123	Undefined_Atom_Stereo_Count	0
3824	Defined_Bond_Stereo_Count	0
14147082	Non-hydrogen_Atom_Count	8
3035541	Hydrogen_Bond_Acceptor_Count	4
12763	Molecular_Weight	126.24
642792	Tautomer_Count	3
272625	Defined_Atom_Stereo_Count	0
137295261	Structure_Complexity	2110
226764	Defined_Bond_Stereo_Count	0
122706434	Defined_Atom_Stereo_Count	10
751505	Defined_Atom_Stereo_Count	1
15864840	Total_Formal_Charge	0
129669846	Hydrogen_Bond_Acceptor_Count	19
71453505	Molecular_Weight	555.5
8818	Total_Formal_Charge	0
16134490	Hydrogen_Bond_Acceptor_Count	16
534362	Defined_Atom_Stereo_Count	0
448505	Isotope_Atom_Count	0
795875	Non-hydrogen_Atom_Count	20
20224712	Total_Formal_Charge	0
440192	Defined_Bond_Stereo_Count	0
449169	Rotatable_Bond_Count	11
57442010	Hydrogen_Bond_Acceptor_Count	9
206044	TPSA	111
69274365	Total_Formal_Charge	0
16437056	Covalent_Unit_Count	1
10660	TPSA	81.8
17960143	Covalent_Unit_Count	1
97971	Molecular_Weight	235.06
3239844	Undefined_Bond_Stereo_Count	0
124921376	Non-hydrogen_Atom_Count	47
6435824	Structure_Complexity	125
6337677	Exact_Mass	330.99455
5275508	Non-hydrogen_Atom_Count	18
12617365	Isotope_Atom_Count	0
126969105	Undefined_Bond_Stereo_Count	0
263	Mono_Isotopic_Weight	74.073164938
7416	XLogP3	1.9
3082718	Covalent_Unit_Count	1
5284650	Non-hydrogen_Atom_Count	15
698364	Hydrogen_Bond_Donor_Count	2
24848283	Hydrogen_Bond_Acceptor_Count	5
57398254	Exact_Mass	364.15691181
24757924	Rotatable_Bond_Count	5
100957861	Molecular_Weight	116.11
62414	Hydrogen_Bond_Donor_Count	0
94306	Tautomer_Count	1
7058029	Undefined_Bond_Stereo_Count	0
91988	Undefined_Atom_Stereo_Count	0
163379880	Non-hydrogen_Atom_Count	8
270010	Molecular_Weight	162.21
369401	Rotatable_Bond_Count	0
46239	Mono_Isotopic_Weight	275.1288213
10351092	Undefined_Bond_Stereo_Count	0
10855394	Hydrogen_Bond_Donor_Count	1
8340	Hydrogen_Bond_Acceptor_Count	5
23080901	Rotatable_Bond_Count	2
18985	Tautomer_Count	1
58823276	Exact_Mass	360.137496527
92155	Isotope_Atom_Count	0
6416	Mono_Isotopic_Weight	100.088815002
6432649	Undefined_Bond_Stereo_Count	0
102063302	Mono_Isotopic_Weight	196.146329876
58051	Covalent_Unit_Count	1
133065662	Molecular_Weight	1879.7
45934213	Mono_Isotopic_Weight	490.0846756
5288631	Total_Formal_Charge	0
66119	Exact_Mass	88.052429494
12570	Undefined_Atom_Stereo_Count	0
91199926	Non-hydrogen_Atom_Count	8
136216662	Total_Formal_Charge	0
62706	Hydrogen_Bond_Donor_Count	0
676030	TPSA	66.8
3776	Undefined_Atom_Stereo_Count	0
135968625	Exact_Mass	876.45207349
23106685	Exact_Mass	101.084063974
28566812	Defined_Atom_Stereo_Count	0
693315	Molecular_Weight	282.34
101333850	Covalent_Unit_Count	1
57131886	Structure_Complexity	84.4
107526	TPSA	118
57395447	TPSA	93.8
11768544	Undefined_Atom_Stereo_Count	0
123913	Defined_Bond_Stereo_Count	0
69985	Undefined_Atom_Stereo_Count	0
145025	Molecular_Weight	100.16
130443213	Defined_Bond_Stereo_Count	0
6437850	Defined_Bond_Stereo_Count	1
140523	Structure_Complexity	194
5742832	Hydrogen_Bond_Donor_Count	4
1482	Rotatable_Bond_Count	4
87612217	Hydrogen_Bond_Acceptor_Count	4
163900	Defined_Bond_Stereo_Count	0
5281605	Rotatable_Bond_Count	1
6476564	Covalent_Unit_Count	1
114644	Isotope_Atom_Count	0
6327350	Rotatable_Bond_Count	4
20231751	Covalent_Unit_Count	1
28620	TPSA	282
9868219	Undefined_Bond_Stereo_Count	0
1469	Isotope_Atom_Count	0
7767	Undefined_Atom_Stereo_Count	0
71464488	Covalent_Unit_Count	1
2526	Tautomer_Count	1
53656122	Structure_Complexity	172
2724277	Non-hydrogen_Atom_Count	14
95125	Defined_Bond_Stereo_Count	0
11589318	Undefined_Atom_Stereo_Count	1
5376	XLogP3-AA	7.1
6914	Undefined_Atom_Stereo_Count	0
44129647	TPSA	137
3439	Undefined_Atom_Stereo_Count	1
21750168	Exact_Mass	128.047344113
4761	XLogP3	2.8
102515495	Molecular_Weight	300.37
76460	Molecular_Weight	715.0
829795	TPSA	101
70068	Isotope_Atom_Count	0
53628842	Rotatable_Bond_Count	1
5282209	Mono_Isotopic_Weight	590.26281617
11537871	Exact_Mass	364.20115941
13229	Structure_Complexity	116
71430	Tautomer_Count	1
58612101	Isotope_Atom_Count	0
93055	Rotatable_Bond_Count	6
9862176	Structure_Complexity	335
10931	Isotope_Atom_Count	0
14516	Undefined_Bond_Stereo_Count	0
7128	Mono_Isotopic_Weight	178.099379685
386483	Isotope_Atom_Count	0
11669	Tautomer_Count	1
9823781	Defined_Atom_Stereo_Count	1
8901	Non-hydrogen_Atom_Count	7
140809	Undefined_Atom_Stereo_Count	0
121494046	TPSA	110
5362	Total_Formal_Charge	0
11742188	Rotatable_Bond_Count	4
4934	Structure_Complexity	474
130388990	Mono_Isotopic_Weight	116.083729621
2724372	TPSA	36.4
3001376	Undefined_Atom_Stereo_Count	0
17671	Hydrogen_Bond_Donor_Count	0
22447183	XLogP3-AA	3.2
91315907	Undefined_Atom_Stereo_Count	0
96393	Structure_Complexity	97.1
3611	Hydrogen_Bond_Donor_Count	1
101946799	Hydrogen_Bond_Donor_Count	8
774599	XLogP3-AA	2.7
34665	Hydrogen_Bond_Acceptor_Count	5
10011870	Exact_Mass	114.079312947
4385988	XLogP3-AA	1.5
59755609	Undefined_Atom_Stereo_Count	12
129651417	XLogP3	2.7
3116	Undefined_Atom_Stereo_Count	0
445929	Undefined_Atom_Stereo_Count	0
55255285	Defined_Bond_Stereo_Count	0
35823	Covalent_Unit_Count	1
61511	Hydrogen_Bond_Acceptor_Count	6
32336	Exact_Mass	430.24204178
69333782	TPSA	45.2
862	Hydrogen_Bond_Acceptor_Count	23
15765799	Exact_Mass	110.036779430
12665	Hydrogen_Bond_Acceptor_Count	1
407091	Non-hydrogen_Atom_Count	8
69317	Defined_Bond_Stereo_Count	0
24685	Hydrogen_Bond_Acceptor_Count	2
1746	Rotatable_Bond_Count	1
164158597	Structure_Complexity	86.5
71988	Covalent_Unit_Count	1
136951315	Molecular_Weight	155.15
8282	Molecular_Weight	119.16
175854	Defined_Bond_Stereo_Count	1
54740489	Mono_Isotopic_Weight	390.0111167
59823	Hydrogen_Bond_Donor_Count	1
22833326	Non-hydrogen_Atom_Count	32
66330	Covalent_Unit_Count	1
119093923	Structure_Complexity	131
3033865	Structure_Complexity	409
176871	Structure_Complexity	525
138988041	Undefined_Bond_Stereo_Count	0
5875450	Structure_Complexity	301
82400	Hydrogen_Bond_Acceptor_Count	12
1216	Rotatable_Bond_Count	5
53359023	Undefined_Atom_Stereo_Count	0
17178037	Total_Formal_Charge	0
5369	Molecular_Weight	567.6
77572	Exact_Mass	104.029356028
34295	Molecular_Weight	112.19
89334461	Hydrogen_Bond_Donor_Count	0
11523	Tautomer_Count	1
64696	Hydrogen_Bond_Donor_Count	2
1504	Non-hydrogen_Atom_Count	25
683214	Non-hydrogen_Atom_Count	23
486543	Exact_Mass	589.32239674
9320	Exact_Mass	418.35758248
5282375	Exact_Mass	354.21949481
5388880	Non-hydrogen_Atom_Count	1
57396625	Rotatable_Bond_Count	3
144686955	TPSA	190
130368	Covalent_Unit_Count	1
12412244	Undefined_Atom_Stereo_Count	0
11332437	Defined_Atom_Stereo_Count	0
105000	Rotatable_Bond_Count	2
54309225	Covalent_Unit_Count	1
628889	Isotope_Atom_Count	0
129866213	Covalent_Unit_Count	1
81923	Exact_Mass	128.083729621
11024312	Exact_Mass	342.11621151
16063245	Mono_Isotopic_Weight	530.17904181
3496	Undefined_Atom_Stereo_Count	0
59330719	Hydrogen_Bond_Acceptor_Count	0
459494	Covalent_Unit_Count	1
27891	Covalent_Unit_Count	2
13884	Molecular_Weight	162.18
23633604	Defined_Bond_Stereo_Count	0
107977	Exact_Mass	143.131014166
57499	Isotope_Atom_Count	0
9817381	Exact_Mass	287.20965841
12620	Hydrogen_Bond_Donor_Count	1
13389335	Non-hydrogen_Atom_Count	16
10921634	XLogP3	4.6
136346	Mono_Isotopic_Weight	166.099379685
13428	Exact_Mass	260.873189
45544	Molecular_Weight	221.29
6787	Covalent_Unit_Count	1
52950209	Total_Formal_Charge	0
183679	Non-hydrogen_Atom_Count	20
4198	Rotatable_Bond_Count	1
5353466	Rotatable_Bond_Count	6
78324	Defined_Bond_Stereo_Count	0
5353646	TPSA	76.8
148557	Non-hydrogen_Atom_Count	8
9543443	Exact_Mass	361.07661306
68501	TPSA	55.4
68290287	Total_Formal_Charge	0
154479899	Isotope_Atom_Count	0
446157	Undefined_Bond_Stereo_Count	0
129864896	Exact_Mass	109.063997236
134692450	TPSA	162
606	Total_Formal_Charge	0
3806114	Exact_Mass	148.00078784
13676	Undefined_Atom_Stereo_Count	1
6919025	Molecular_Weight	264.8
31370	Mono_Isotopic_Weight	94.0185425
138395106	Non-hydrogen_Atom_Count	85
11473	Defined_Bond_Stereo_Count	0
16682746	Hydrogen_Bond_Acceptor_Count	1
14045186	Hydrogen_Bond_Acceptor_Count	2
8485	TPSA	62.8
146158627	Mono_Isotopic_Weight	1406.74927579
1999	Molecular_Weight	248.28
5953	Hydrogen_Bond_Acceptor_Count	4
5956	Defined_Atom_Stereo_Count	0
10187	Mono_Isotopic_Weight	226.062994177
69093165	Hydrogen_Bond_Donor_Count	0
3049771	Mono_Isotopic_Weight	169.085126602
68210102	Isotope_Atom_Count	0
3702	Covalent_Unit_Count	1
10399	Molecular_Weight	114.19
381117	Mono_Isotopic_Weight	272.03679668
546902	Defined_Bond_Stereo_Count	0
137349957	Total_Formal_Charge	0
10892	Hydrogen_Bond_Donor_Count	0
9469	Hydrogen_Bond_Acceptor_Count	3
6733	Defined_Atom_Stereo_Count	0
16049309	Rotatable_Bond_Count	13
16211941	Rotatable_Bond_Count	1
4560244	TPSA	45.8
77259647	Defined_Bond_Stereo_Count	0
49865733	XLogP3-AA	3.5
96350	Mono_Isotopic_Weight	175.92953
23642275	Molecular_Weight	283.4
72551585	Undefined_Bond_Stereo_Count	0
59896759	Total_Formal_Charge	0
693165	Rotatable_Bond_Count	4
299882	Hydrogen_Bond_Acceptor_Count	0
136704	Structure_Complexity	63.4
94149	Rotatable_Bond_Count	4
34081	Mono_Isotopic_Weight	640.21692861
86350	Undefined_Bond_Stereo_Count	0
107780	Covalent_Unit_Count	1
21187035	Undefined_Atom_Stereo_Count	0
11509	XLogP3-AA	1.2
70250504	Molecular_Weight	544.6
446504	Rotatable_Bond_Count	8
62474	Covalent_Unit_Count	1
131567	XLogP3-AA	3.9
60196367	Molecular_Weight	453.5
9863303	Structure_Complexity	546
64303	Hydrogen_Bond_Acceptor_Count	3
153274062	TPSA	257
578334	Non-hydrogen_Atom_Count	23
94305	Defined_Bond_Stereo_Count	0
74534	Mono_Isotopic_Weight	332.04588298
68983	Mono_Isotopic_Weight	76.044187285
4059	Hydrogen_Bond_Donor_Count	2
53709010	Mono_Isotopic_Weight	188.11609238
71142	Structure_Complexity	516
47955	TPSA	40.5
129627679	TPSA	473
12510929	Hydrogen_Bond_Donor_Count	0
220338	Tautomer_Count	1
2733928	Structure_Complexity	219
518924	Isotope_Atom_Count	0
49865785	Defined_Bond_Stereo_Count	0
9921	Total_Formal_Charge	0
119096	Molecular_Weight	292.33
18793	Undefined_Atom_Stereo_Count	1
53503	Defined_Atom_Stereo_Count	0
637758	Mono_Isotopic_Weight	176.083729621
15189029	Covalent_Unit_Count	1
10219385	TPSA	33
5284553	Isotope_Atom_Count	0
135459971	Exact_Mass	323.00179
165411862	Mono_Isotopic_Weight	667.12235659
3002190	Structure_Complexity	1440
10947	Covalent_Unit_Count	1
92185	Tautomer_Count	1
10175096	Defined_Bond_Stereo_Count	0
61453	Non-hydrogen_Atom_Count	11
5281670	Rotatable_Bond_Count	1
91267	Covalent_Unit_Count	1
14041	Undefined_Atom_Stereo_Count	0
10458325	Mono_Isotopic_Weight	490.1338596
114812	Undefined_Atom_Stereo_Count	0
57425261	Hydrogen_Bond_Donor_Count	1
18506434	Hydrogen_Bond_Acceptor_Count	3
1099	Undefined_Bond_Stereo_Count	0
9920377	Covalent_Unit_Count	1
9845837	Mono_Isotopic_Weight	435.19065430
2951	TPSA	127
101625661	Hydrogen_Bond_Donor_Count	2
6328648	Mono_Isotopic_Weight	141.109952077
8983	Non-hydrogen_Atom_Count	11
535479	TPSA	26.8
5483631	Hydrogen_Bond_Acceptor_Count	2
2783	Rotatable_Bond_Count	4
9864154	Non-hydrogen_Atom_Count	27
443933	Isotope_Atom_Count	0
6909	Exact_Mass	230.900524
17963336	Undefined_Atom_Stereo_Count	0
5463599	Structure_Complexity	62.1
123840	Molecular_Weight	360.9
57392505	Isotope_Atom_Count	0
129678293	Non-hydrogen_Atom_Count	42
12609623	Rotatable_Bond_Count	1
4454	Defined_Bond_Stereo_Count	0
148124	Isotope_Atom_Count	0
53384442	Molecular_Weight	416.4
15266968	Tautomer_Count	1
11578610	Rotatable_Bond_Count	4
11715169	Covalent_Unit_Count	1
2727	Hydrogen_Bond_Acceptor_Count	3
129688311	Molecular_Weight	1030.9
62525	Isotope_Atom_Count	0
12425839	Structure_Complexity	402
53238011	Total_Formal_Charge	0
11937	Tautomer_Count	1
423	Undefined_Atom_Stereo_Count	1
310	Structure_Complexity	168
69671	Rotatable_Bond_Count	0
225564	Hydrogen_Bond_Acceptor_Count	1
5147	Total_Formal_Charge	0
201990	TPSA	28.7
125409	Defined_Atom_Stereo_Count	4
98626	Non-hydrogen_Atom_Count	13
15179723	Covalent_Unit_Count	1
22676885	Hydrogen_Bond_Acceptor_Count	2
16070030	Hydrogen_Bond_Acceptor_Count	0
44427888	Undefined_Bond_Stereo_Count	0
5464111	TPSA	139
145520	Rotatable_Bond_Count	1
5400866	XLogP3-AA	1.6
1639	Total_Formal_Charge	0
15376	Covalent_Unit_Count	1
5378597	Non-hydrogen_Atom_Count	33
4358655	Total_Formal_Charge	0
12389634	Undefined_Bond_Stereo_Count	0
81477	Hydrogen_Bond_Donor_Count	2
60209583	Exact_Mass	380.17360725
18789128	Covalent_Unit_Count	1
14912114	Covalent_Unit_Count	1
354520	Non-hydrogen_Atom_Count	20
67000	Hydrogen_Bond_Acceptor_Count	3
9737	Defined_Atom_Stereo_Count	0
25021359	TPSA	219
78225453	Mono_Isotopic_Weight	556.31753183
138254	Undefined_Bond_Stereo_Count	0
3016	Isotope_Atom_Count	0
527559	Isotope_Atom_Count	0
6327657	Mono_Isotopic_Weight	369.030143
3365553	Undefined_Bond_Stereo_Count	0
131751341	Molecular_Weight	513.5
20467	Hydrogen_Bond_Acceptor_Count	4
11137094	Molecular_Weight	94.15
521962	Exact_Mass	110.109550447
475825	Isotope_Atom_Count	0
35958	Undefined_Bond_Stereo_Count	0
23423585	Rotatable_Bond_Count	1
71583380	TPSA	89
12478	Total_Formal_Charge	0
124037382	Structure_Complexity	19100
72943	Covalent_Unit_Count	1
3434472	XLogP3	4.8
1894	Hydrogen_Bond_Donor_Count	2
59792626	Defined_Atom_Stereo_Count	0
4784	Structure_Complexity	199
45092772	Undefined_Bond_Stereo_Count	0
11535547	TPSA	26.3
25059	Hydrogen_Bond_Acceptor_Count	2
91419082	Undefined_Bond_Stereo_Count	0
18430531	Structure_Complexity	77.7
85668777	Non-hydrogen_Atom_Count	20
8473	Defined_Atom_Stereo_Count	0
86790	Hydrogen_Bond_Donor_Count	0
160531	Undefined_Bond_Stereo_Count	0
4581	Exact_Mass	153.078978594
5342002	Molecular_Weight	285.8
71462631	Hydrogen_Bond_Acceptor_Count	4
71305058	Molecular_Weight	421.3
17595	Undefined_Atom_Stereo_Count	0
81627	Structure_Complexity	185
44392131	Total_Formal_Charge	0
94215	Non-hydrogen_Atom_Count	8
101094784	Hydrogen_Bond_Acceptor_Count	5
2733244	Structure_Complexity	108
9016	Undefined_Atom_Stereo_Count	0
11681588	Non-hydrogen_Atom_Count	25
72067	Exact_Mass	563.18251742
53731118	Hydrogen_Bond_Acceptor_Count	1
133627802	Undefined_Atom_Stereo_Count	3
22530	Structure_Complexity	350
21092	Covalent_Unit_Count	1
87201	Mono_Isotopic_Weight	223.12084340
7054	Hydrogen_Bond_Donor_Count	1
11546350	Undefined_Atom_Stereo_Count	0
70276811	Molecular_Weight	469.5
57358854	Total_Formal_Charge	0
12803	Defined_Atom_Stereo_Count	0
40468194	Exact_Mass	470.15058301
53779	Total_Formal_Charge	0
74861	TPSA	0
66559017	Molecular_Weight	389.3
69413	Non-hydrogen_Atom_Count	7
53595	Hydrogen_Bond_Acceptor_Count	13
91590871	Covalent_Unit_Count	1
222285	Total_Formal_Charge	0
6538980	TPSA	82.5
12902	TPSA	20.2
9579578	Rotatable_Bond_Count	5
566589	Tautomer_Count	2
57163928	Covalent_Unit_Count	1
11286230	TPSA	320
11685	Isotope_Atom_Count	0
9969177	TPSA	106
25261	Non-hydrogen_Atom_Count	22
932	Molecular_Weight	272.25
3033702	Tautomer_Count	1
87074	Defined_Atom_Stereo_Count	0
69536	Hydrogen_Bond_Acceptor_Count	16
513886	TPSA	89.8
57394197	TPSA	77.6
131060368	Defined_Atom_Stereo_Count	0
137549901	Total_Formal_Charge	0
9524	Hydrogen_Bond_Donor_Count	0
64948	Defined_Atom_Stereo_Count	0
28936	Hydrogen_Bond_Acceptor_Count	3
123766000	Isotope_Atom_Count	0
5270576	Molecular_Weight	260.22
20093425	Total_Formal_Charge	0
10046374	Defined_Atom_Stereo_Count	0
24769	Structure_Complexity	90.2
108092	Defined_Bond_Stereo_Count	0
101063449	Exact_Mass	442.19915329
254021	Undefined_Bond_Stereo_Count	0
18738782	Defined_Bond_Stereo_Count	0
43295	Total_Formal_Charge	0
30921	Undefined_Atom_Stereo_Count	1
54758405	Total_Formal_Charge	0
13474789	Hydrogen_Bond_Donor_Count	1
165411862	Defined_Bond_Stereo_Count	0
59859430	Defined_Bond_Stereo_Count	0
10272953	Structure_Complexity	757
5311067	Hydrogen_Bond_Donor_Count	2
8827	Total_Formal_Charge	0
14362	Covalent_Unit_Count	1
13019047	Total_Formal_Charge	0
29927142	Hydrogen_Bond_Donor_Count	2
589863	Molecular_Weight	215.10
5487888	Covalent_Unit_Count	1
6393	Isotope_Atom_Count	0
20473149	Structure_Complexity	34.6
65800	Tautomer_Count	1
443156	Hydrogen_Bond_Donor_Count	0
433294	Undefined_Atom_Stereo_Count	0
47675	Total_Formal_Charge	0
8443	Non-hydrogen_Atom_Count	11
67944215	Mono_Isotopic_Weight	180.06338810
411817	Mono_Isotopic_Weight	282.1498911
14535398	Isotope_Atom_Count	0
6473973	Isotope_Atom_Count	0
1551245	Exact_Mass	149.120449483
148816436	Molecular_Weight	112.17
212229	Exact_Mass	316.0745332
25271787	Structure_Complexity	184
72200142	Non-hydrogen_Atom_Count	42
9856149	XLogP3-AA	5.2
11417	Undefined_Bond_Stereo_Count	0
859073	Covalent_Unit_Count	1
12256	Tautomer_Count	1
11170931	Hydrogen_Bond_Acceptor_Count	3
11655511	Tautomer_Count	1
4739928	Undefined_Atom_Stereo_Count	0
131698425	Rotatable_Bond_Count	1
10154	Structure_Complexity	461
48640	Defined_Bond_Stereo_Count	0
2142	Exact_Mass	585.28573644
219096	Exact_Mass	299.224914549
11008865	Molecular_Weight	196.29
75240	Rotatable_Bond_Count	1
53682689	Undefined_Atom_Stereo_Count	2
15658	TPSA	0
135409384	Undefined_Atom_Stereo_Count	2
124201874	Undefined_Atom_Stereo_Count	1
5742	Molecular_Weight	95.53
68566969	Hydrogen_Bond_Acceptor_Count	1
107670	Defined_Atom_Stereo_Count	11
54012932	Exact_Mass	172.109944368
5359371	Undefined_Atom_Stereo_Count	0
49864766	Undefined_Atom_Stereo_Count	0
14453671	Undefined_Bond_Stereo_Count	0
41191	Undefined_Atom_Stereo_Count	0
15900	Non-hydrogen_Atom_Count	22
6365145	Total_Formal_Charge	0
27284	Defined_Bond_Stereo_Count	0
15564	Molecular_Weight	242.3
146158781	Covalent_Unit_Count	2
68156	Mono_Isotopic_Weight	70.053098200
10991686	Undefined_Atom_Stereo_Count	0
90998196	Non-hydrogen_Atom_Count	7
2973198	Undefined_Atom_Stereo_Count	2
6947362	Total_Formal_Charge	0
18692	Mono_Isotopic_Weight	259.90475
16620	Mono_Isotopic_Weight	109.089149355
11113597	Structure_Complexity	803
7428	Tautomer_Count	14
5324776	Hydrogen_Bond_Acceptor_Count	2
10451635	XLogP3-AA	3.7
978	TPSA	63.3
86014	Hydrogen_Bond_Acceptor_Count	0
70465919	Rotatable_Bond_Count	0
529341	Isotope_Atom_Count	0
590581	Hydrogen_Bond_Donor_Count	0
77580	Hydrogen_Bond_Donor_Count	1
9094	Molecular_Weight	158.26
36242	Total_Formal_Charge	0
4895	Hydrogen_Bond_Donor_Count	2
53778	Isotope_Atom_Count	0
72732196	Isotope_Atom_Count	0
87713	Exact_Mass	125.058911855
12259685	Non-hydrogen_Atom_Count	21
11349505	Exact_Mass	379.0888035
2795	XLogP3-AA	3.6
7472	Undefined_Bond_Stereo_Count	0
10384745	XLogP3-AA	1
129836041	Structure_Complexity	15.5
123237074	Total_Formal_Charge	0
47553	Undefined_Bond_Stereo_Count	0
16760	Structure_Complexity	219
55284046	Structure_Complexity	55.7
1241420	Defined_Bond_Stereo_Count	0
85294873	Non-hydrogen_Atom_Count	8
649217	Structure_Complexity	729
8169	Defined_Bond_Stereo_Count	0
71517529	Undefined_Bond_Stereo_Count	0
73937	Hydrogen_Bond_Donor_Count	0
1477	Hydrogen_Bond_Acceptor_Count	6
14794988	Undefined_Atom_Stereo_Count	0
23278030	Exact_Mass	115.099714038
15410449	Undefined_Bond_Stereo_Count	0
154516221	Hydrogen_Bond_Acceptor_Count	0
8422	XLogP3	2.5
170364	Total_Formal_Charge	0
89332529	Hydrogen_Bond_Acceptor_Count	6
57066125	Total_Formal_Charge	0
519907	Hydrogen_Bond_Acceptor_Count	3
17834171	Hydrogen_Bond_Acceptor_Count	2
160718893	Covalent_Unit_Count	1
448979	Hydrogen_Bond_Donor_Count	1
12661198	TPSA	25.1
6262	Undefined_Bond_Stereo_Count	0
39874	Isotope_Atom_Count	0
643221	Structure_Complexity	124
12664537	Non-hydrogen_Atom_Count	7
15559154	Covalent_Unit_Count	1
16197727	Total_Formal_Charge	0
253602	Total_Formal_Charge	0
153067665	Non-hydrogen_Atom_Count	8
60196350	Rotatable_Bond_Count	2
153311	Mono_Isotopic_Weight	303.14705815
129808802	Isotope_Atom_Count	0
21579141	Total_Formal_Charge	0
9529	Undefined_Bond_Stereo_Count	0
10548	Defined_Bond_Stereo_Count	0
122356	Tautomer_Count	3
12115801	Non-hydrogen_Atom_Count	8
522354	Undefined_Atom_Stereo_Count	0
3086173	Rotatable_Bond_Count	6
5464186	Structure_Complexity	652
643976	Rotatable_Bond_Count	7
70693519	Structure_Complexity	665
69016240	Undefined_Atom_Stereo_Count	0
447145	Mono_Isotopic_Weight	463.07404340
5462350	TPSA	59
31312	TPSA	104
25195496	Total_Formal_Charge	0
8307	Exact_Mass	201.0920418
102019	Tautomer_Count	2
86498	Non-hydrogen_Atom_Count	26
5479537	Undefined_Bond_Stereo_Count	0
110785	Hydrogen_Bond_Donor_Count	0
58528	Hydrogen_Bond_Donor_Count	1
16051495	Rotatable_Bond_Count	5
440274	Isotope_Atom_Count	0
32777	Non-hydrogen_Atom_Count	7
472812	Mono_Isotopic_Weight	243.0523023
38910	TPSA	0
181977	Exact_Mass	164.01095860
9847836	Molecular_Weight	476.6
10143006	Exact_Mass	526.04954
44344633	Defined_Bond_Stereo_Count	0
60595	Hydrogen_Bond_Donor_Count	0
6935	Covalent_Unit_Count	1
9548714	Undefined_Bond_Stereo_Count	0
23657846	Isotope_Atom_Count	0
160889158	Total_Formal_Charge	0
3035447	Mono_Isotopic_Weight	384.06360602
6441388	Non-hydrogen_Atom_Count	44
123134107	Undefined_Bond_Stereo_Count	0
7093102	TPSA	9.2
17814354	XLogP3-AA	1.1
65595	Isotope_Atom_Count	0
19063360	Mono_Isotopic_Weight	112.125200510
12697736	Undefined_Bond_Stereo_Count	0
64337	Hydrogen_Bond_Donor_Count	2
5702236	Undefined_Bond_Stereo_Count	0
101658	Total_Formal_Charge	0
73415789	Mono_Isotopic_Weight	524.0784474
413537	Defined_Bond_Stereo_Count	0
16738703	Structure_Complexity	98.2
54704426	Total_Formal_Charge	0
32767	Total_Formal_Charge	0
89512131	Isotope_Atom_Count	0
76720	Tautomer_Count	1
58270050	Exact_Mass	111.068413911
3045225	Molecular_Weight	243.30
5217	Total_Formal_Charge	0
70447162	Structure_Complexity	90.4
6168	Defined_Bond_Stereo_Count	0
11243536	Hydrogen_Bond_Acceptor_Count	2
14416018	Rotatable_Bond_Count	0
5362460	XLogP3	2.7
2101	Tautomer_Count	3
20841747	Defined_Atom_Stereo_Count	0
19254	Mono_Isotopic_Weight	262.13174244
71778	Hydrogen_Bond_Donor_Count	1
9570071	Hydrogen_Bond_Acceptor_Count	4
551778	Total_Formal_Charge	0
2734680	Total_Formal_Charge	0
197341	Rotatable_Bond_Count	5
56734	Exact_Mass	177.05719778
139244568	Non-hydrogen_Atom_Count	24
5459361	Undefined_Atom_Stereo_Count	0
52421	Rotatable_Bond_Count	9
22273548	Mono_Isotopic_Weight	344.10554495
87646	XLogP3-AA	2.6
7675	Molecular_Weight	123.15
10518	Defined_Bond_Stereo_Count	0
200742	Total_Formal_Charge	0
160458	Structure_Complexity	97.1
138378	Total_Formal_Charge	0
117214253	Rotatable_Bond_Count	1
10079	Defined_Bond_Stereo_Count	0
15983549	Total_Formal_Charge	0
62210	Covalent_Unit_Count	1
7043900	Covalent_Unit_Count	1
349972	Non-hydrogen_Atom_Count	8
29144	Defined_Atom_Stereo_Count	1
87321867	Defined_Bond_Stereo_Count	0
53507	Tautomer_Count	1
7670	Defined_Bond_Stereo_Count	0
12746990	Molecular_Weight	113.12
47294	Hydrogen_Bond_Acceptor_Count	4
5482	Hydrogen_Bond_Donor_Count	0
15347748	Isotope_Atom_Count	0
439498	Mono_Isotopic_Weight	178.04121336
297812	Structure_Complexity	276
23653584	Exact_Mass	489.1255830
132471895	Molecular_Weight	210.21
41634	Structure_Complexity	369
10597	Rotatable_Bond_Count	0
139062656	Hydrogen_Bond_Donor_Count	18
143565	Total_Formal_Charge	0
100982445	Rotatable_Bond_Count	6
135140866	Hydrogen_Bond_Acceptor_Count	2
19357220	Defined_Bond_Stereo_Count	0
4913256	Isotope_Atom_Count	0
10285780	Isotope_Atom_Count	0
441401	Defined_Bond_Stereo_Count	0
9908880	Exact_Mass	399.16191458
11589453	Undefined_Atom_Stereo_Count	1
9820008	Defined_Atom_Stereo_Count	0
9984374	Structure_Complexity	1010
701741	Defined_Bond_Stereo_Count	1
56672298	Total_Formal_Charge	0
59388	Rotatable_Bond_Count	5
20885	Total_Formal_Charge	0
13165	Defined_Bond_Stereo_Count	0
12571	Rotatable_Bond_Count	4
5311283	Isotope_Atom_Count	0
123479258	Hydrogen_Bond_Acceptor_Count	1
25780	TPSA	39.7
21430317	TPSA	0
19592	TPSA	46.5
7959	Structure_Complexity	108
599239	Hydrogen_Bond_Donor_Count	0
6918454	Defined_Atom_Stereo_Count	0
8408	Non-hydrogen_Atom_Count	15
23725063	TPSA	141
25102720	Hydrogen_Bond_Donor_Count	5
20949	Hydrogen_Bond_Donor_Count	1
14939066	XLogP3-AA	8
24802109	Tautomer_Count	1
22049997	Mono_Isotopic_Weight	476.05471
2280	Defined_Atom_Stereo_Count	0
7095	TPSA	0
888457	Mono_Isotopic_Weight	341.0488569
12748	Defined_Bond_Stereo_Count	0
9261	Defined_Bond_Stereo_Count	0
23663409	Exact_Mass	372.99256
55804	Tautomer_Count	3
4164	Mono_Isotopic_Weight	271.06669983
643976	Covalent_Unit_Count	1
64463	Non-hydrogen_Atom_Count	18
23274077	XLogP3	1.6
135541258	Tautomer_Count	3
148546155	Defined_Bond_Stereo_Count	0
699571	Non-hydrogen_Atom_Count	17
42613186	Structure_Complexity	873
156592059	Structure_Complexity	1840
3383	Molecular_Weight	332.3
11870469	Hydrogen_Bond_Donor_Count	2
261501	Exact_Mass	261.06709375
22986754	Undefined_Atom_Stereo_Count	2
89069	Total_Formal_Charge	0
11617559	Undefined_Atom_Stereo_Count	0
87964902	Isotope_Atom_Count	0
19789137	Defined_Atom_Stereo_Count	0
5352435	Non-hydrogen_Atom_Count	14
21492261	Total_Formal_Charge	0
10548	Defined_Atom_Stereo_Count	0
44181971	Tautomer_Count	53
5311110	Covalent_Unit_Count	1
42104317	Defined_Atom_Stereo_Count	3
74255	XLogP3	1.7
3527720	Hydrogen_Bond_Donor_Count	3
6546	Undefined_Bond_Stereo_Count	0
93002	Rotatable_Bond_Count	0
6433272	Covalent_Unit_Count	1
11266903	Structure_Complexity	394
5353439	Total_Formal_Charge	0
90957	Mono_Isotopic_Weight	716.13357
45157475	Covalent_Unit_Count	2
26444	Rotatable_Bond_Count	1
12543515	Molecular_Weight	59.09
44526	Hydrogen_Bond_Donor_Count	0
13610389	TPSA	30.7
67104	TPSA	24.1
75577315	Isotope_Atom_Count	0
6730	Undefined_Bond_Stereo_Count	0
87161809	TPSA	49.8
5231234	Molecular_Weight	102.14
86439	Exact_Mass	433.0539994
71455277	Isotope_Atom_Count	0
50897	Molecular_Weight	383.4
23424384	Total_Formal_Charge	0
57066209	Undefined_Atom_Stereo_Count	0
154828150	TPSA	57.2
535634	Total_Formal_Charge	0
667483	XLogP3-AA	3.8
92660	Non-hydrogen_Atom_Count	15
4381326	Hydrogen_Bond_Donor_Count	1
47676	XLogP3-AA	3.5
20623556	Defined_Atom_Stereo_Count	0
121025	Non-hydrogen_Atom_Count	14
13032	Non-hydrogen_Atom_Count	10
13710589	Structure_Complexity	10
15031772	Isotope_Atom_Count	0
4382	Undefined_Atom_Stereo_Count	0
54732242	Defined_Atom_Stereo_Count	4
6433345	Covalent_Unit_Count	1
139292184	Hydrogen_Bond_Acceptor_Count	17
72487	Exact_Mass	177.090211983
11173546	TPSA	32.3
19367743	Isotope_Atom_Count	0
5311325	Molecular_Weight	102.975151
91384976	Isotope_Atom_Count	0
107918	Hydrogen_Bond_Donor_Count	11
22382373	TPSA	26.3
23158108	Undefined_Bond_Stereo_Count	0
46937142	Tautomer_Count	1
8674	Structure_Complexity	527
286862	TPSA	47.9
7098664	Undefined_Bond_Stereo_Count	0
192706	Non-hydrogen_Atom_Count	25
32966	Undefined_Bond_Stereo_Count	0
91027594	Hydrogen_Bond_Acceptor_Count	0
141959525	Structure_Complexity	86.2
4410	Mono_Isotopic_Weight	360.14853532
839580	Molecular_Weight	308.3
42602176	XLogP3-AA	1.3
2882	Isotope_Atom_Count	0
13783517	Total_Formal_Charge	0
15438	Exact_Mass	222.06742811
138023	Undefined_Atom_Stereo_Count	2
162908	Undefined_Atom_Stereo_Count	0
5488579	Undefined_Atom_Stereo_Count	0
277	Defined_Bond_Stereo_Count	0
6604189	Undefined_Bond_Stereo_Count	0
76442017	Exact_Mass	114.068079557
243400	Mono_Isotopic_Weight	164.0604073
44578692	Mono_Isotopic_Weight	423.21828664
11748	XLogP3-AA	0
1834	Structure_Complexity	543
1807	Rotatable_Bond_Count	0
23347	Undefined_Bond_Stereo_Count	0
71755913	Hydrogen_Bond_Acceptor_Count	3
9322	Defined_Bond_Stereo_Count	0
13981	Defined_Atom_Stereo_Count	0
11524	TPSA	20.2
12994	Mono_Isotopic_Weight	78.021798072
151011	Defined_Bond_Stereo_Count	0
25612	Structure_Complexity	78.9
132980	Structure_Complexity	748
10903	Hydrogen_Bond_Acceptor_Count	1
5460314	Rotatable_Bond_Count	3
58550597	Molecular_Weight	96.13
12647151	Structure_Complexity	118
6241	Hydrogen_Bond_Donor_Count	4
12200169	TPSA	32.7
92363	TPSA	29.1
95433	Hydrogen_Bond_Acceptor_Count	3
17377	Total_Formal_Charge	0
74956	Non-hydrogen_Atom_Count	7
10300618	Undefined_Atom_Stereo_Count	0
43082	TPSA	12.5
11985231	Mono_Isotopic_Weight	90.0469501914
8185	Molecular_Weight	170.29
12514401	Covalent_Unit_Count	1
769	Hydrogen_Bond_Acceptor_Count	3
129785733	Covalent_Unit_Count	1
63950	XLogP3-AA	4.1
31298	Undefined_Bond_Stereo_Count	0
3125	TPSA	83.6
44392103	Isotope_Atom_Count	0
121492004	Total_Formal_Charge	0
2723630	Covalent_Unit_Count	1
64927	Defined_Bond_Stereo_Count	0
53950495	TPSA	29.5
60285	Covalent_Unit_Count	1
4047281	Defined_Atom_Stereo_Count	0
20090050	Molecular_Weight	111.14
80416	Mono_Isotopic_Weight	177.0112047
89175197	Rotatable_Bond_Count	0
75243795	XLogP3-AA	3.1
521962	Tautomer_Count	1
642108	Defined_Bond_Stereo_Count	0
70719	Molecular_Weight	109.13
23663400	Undefined_Bond_Stereo_Count	0
72187569	Undefined_Bond_Stereo_Count	0
35768	Hydrogen_Bond_Acceptor_Count	0
70191	Mono_Isotopic_Weight	123.03539970
11082	Molecular_Weight	216.26
28582	Undefined_Atom_Stereo_Count	1
11957378	Molecular_Weight	494.4
11194317	Rotatable_Bond_Count	3
70312242	Mono_Isotopic_Weight	115.063328530
964	Non-hydrogen_Atom_Count	7
14221107	Exact_Mass	98.073164938
22753607	Rotatable_Bond_Count	1
9908684	Rotatable_Bond_Count	6
73480	TPSA	32.3
60155184	Exact_Mass	447.18279221
39385	Total_Formal_Charge	0
5281042	Structure_Complexity	1550
9933991	Rotatable_Bond_Count	0
31365	Covalent_Unit_Count	1
14592	Isotope_Atom_Count	0
118121642	Covalent_Unit_Count	1
23328892	Molecular_Weight	114.14
145068	Covalent_Unit_Count	1
55438	Rotatable_Bond_Count	14
69537	Isotope_Atom_Count	0
123070	Mono_Isotopic_Weight	20.0564071114
53262281	Mono_Isotopic_Weight	328.1917559
4438527	Exact_Mass	678.9773684
157922	Hydrogen_Bond_Donor_Count	1
62217	Exact_Mass	263.094628657
119054	Structure_Complexity	154
75922	Exact_Mass	349.94707485
24892867	Mono_Isotopic_Weight	335.1288213
11732117	Defined_Bond_Stereo_Count	0
23392960	Hydrogen_Bond_Donor_Count	1
11768891	Tautomer_Count	1
16640	Total_Formal_Charge	0
8122	Rotatable_Bond_Count	18
44408087	Molecular_Weight	807.9
43389	Hydrogen_Bond_Donor_Count	0
8362	Rotatable_Bond_Count	3
50993881	Hydrogen_Bond_Donor_Count	3
9411	Covalent_Unit_Count	1
86132	Tautomer_Count	1
17895808	Non-hydrogen_Atom_Count	7
76459	Covalent_Unit_Count	1
91927769	Hydrogen_Bond_Acceptor_Count	4
62817	Structure_Complexity	152
351770	Total_Formal_Charge	0
91886115	Hydrogen_Bond_Acceptor_Count	5
54519	Hydrogen_Bond_Acceptor_Count	4
49869312	Undefined_Bond_Stereo_Count	0
60839	Molecular_Weight	339.9
62551	Non-hydrogen_Atom_Count	16
123268	Hydrogen_Bond_Acceptor_Count	2
5241	TPSA	52.9
15098	Hydrogen_Bond_Donor_Count	0
781234	Covalent_Unit_Count	1
12029691	Covalent_Unit_Count	1
57016488	Rotatable_Bond_Count	2
12320138	Hydrogen_Bond_Donor_Count	0
2000	Defined_Atom_Stereo_Count	0
114506	Non-hydrogen_Atom_Count	21
7076	Undefined_Atom_Stereo_Count	0
66041	Molecular_Weight	130.19
169536	Non-hydrogen_Atom_Count	18
3206	Hydrogen_Bond_Acceptor_Count	5
71072057	Structure_Complexity	644
56842796	Non-hydrogen_Atom_Count	19
10931404	Undefined_Atom_Stereo_Count	0
11385	Undefined_Bond_Stereo_Count	0
5244	Defined_Bond_Stereo_Count	0
51622	Mono_Isotopic_Weight	268.08479225
37933	Non-hydrogen_Atom_Count	28
17198	Non-hydrogen_Atom_Count	14
71778	Covalent_Unit_Count	1
1473603	Rotatable_Bond_Count	4
5282521	Defined_Bond_Stereo_Count	2
4669250	Rotatable_Bond_Count	0
6861	Hydrogen_Bond_Donor_Count	1
16681432	Undefined_Atom_Stereo_Count	0
126969212	Covalent_Unit_Count	1
53326398	Hydrogen_Bond_Donor_Count	2
136135	Mono_Isotopic_Weight	82.041864811
80153	Hydrogen_Bond_Donor_Count	1
78858	XLogP3	0.9
30924	Defined_Bond_Stereo_Count	0
9782	Total_Formal_Charge	0
3817	Structure_Complexity	940
11499204	Defined_Atom_Stereo_Count	2
70150	Molecular_Weight	178.27
11949597	TPSA	69.4
16950	Tautomer_Count	3
11974	XLogP3-AA	3.2
101687487	TPSA	20.2
23993	Defined_Bond_Stereo_Count	0
556485	Mono_Isotopic_Weight	112.088815002
530132	Molecular_Weight	217.34
5282198	Defined_Atom_Stereo_Count	1
135554441	Undefined_Atom_Stereo_Count	0
57486971	TPSA	23.8
3045381	Hydrogen_Bond_Acceptor_Count	6
67885	Mono_Isotopic_Weight	208.99114725
118701745	Structure_Complexity	1440
135407408	Total_Formal_Charge	0
174076	Rotatable_Bond_Count	1
3095	Undefined_Bond_Stereo_Count	0
102503760	Exact_Mass	665.30474055
11018827	Undefined_Bond_Stereo_Count	0
219145	Hydrogen_Bond_Acceptor_Count	2
78961	Hydrogen_Bond_Acceptor_Count	0
45484851	Hydrogen_Bond_Acceptor_Count	3
5546	Defined_Atom_Stereo_Count	0
68870	TPSA	95.1
5857	Exact_Mass	284.214015512
5365327	Hydrogen_Bond_Acceptor_Count	2
57501504	Undefined_Bond_Stereo_Count	0
11205	Molecular_Weight	331.63
12452068	Total_Formal_Charge	0
146158432	Covalent_Unit_Count	1
902	Defined_Bond_Stereo_Count	0
40467085	Non-hydrogen_Atom_Count	33
5326751	Undefined_Atom_Stereo_Count	0
359784	Undefined_Atom_Stereo_Count	0
54714462	Non-hydrogen_Atom_Count	43
4659568	Total_Formal_Charge	0
4183	Hydrogen_Bond_Acceptor_Count	7
55891	Defined_Bond_Stereo_Count	0
136304	Isotope_Atom_Count	0
45488114	TPSA	67.9
9723	Hydrogen_Bond_Donor_Count	2
17806258	Mono_Isotopic_Weight	107.037113783
2157	Hydrogen_Bond_Acceptor_Count	4
3346	Covalent_Unit_Count	1
259360	Isotope_Atom_Count	0
59483386	Molecular_Weight	116.12
937394	Mono_Isotopic_Weight	178.110613074
18710462	Hydrogen_Bond_Acceptor_Count	0
94020	Mono_Isotopic_Weight	285.151749610
70694228	Rotatable_Bond_Count	9
135398513	Undefined_Bond_Stereo_Count	0
105145	Isotope_Atom_Count	0
23653	Total_Formal_Charge	0
102601439	Undefined_Bond_Stereo_Count	0
129631047	TPSA	164
57767271	Undefined_Bond_Stereo_Count	0
10017963	Molecular_Weight	305.3
5362775	Exact_Mass	98.073164938
133920	Rotatable_Bond_Count	12
10469079	Defined_Bond_Stereo_Count	0
25381	Rotatable_Bond_Count	3
57235	Defined_Atom_Stereo_Count	0
135422052	TPSA	200
817383	Mono_Isotopic_Weight	171.079647300
59540609	Rotatable_Bond_Count	2
99010	Rotatable_Bond_Count	3
480242	Hydrogen_Bond_Donor_Count	2
9746	TPSA	12.9
6969	Isotope_Atom_Count	0
11438771	Hydrogen_Bond_Donor_Count	0
185617	Hydrogen_Bond_Donor_Count	7
169952	Undefined_Bond_Stereo_Count	0
66903	Molecular_Weight	366.6
257950	Covalent_Unit_Count	1
398747	TPSA	182
66577038	Rotatable_Bond_Count	9
34695	Defined_Bond_Stereo_Count	0
9210	Covalent_Unit_Count	1
19884375	Defined_Atom_Stereo_Count	0
54511620	XLogP3-AA	1.4
46856376	Rotatable_Bond_Count	0
10129928	TPSA	26.3
6436661	Molecular_Weight	626.5
19754	Molecular_Weight	90.19
59401	Hydrogen_Bond_Acceptor_Count	4
9965424	Rotatable_Bond_Count	3
50857	Hydrogen_Bond_Donor_Count	2
4158	Exact_Mass	233.141578849
129009953	Defined_Bond_Stereo_Count	0
23706212	Defined_Bond_Stereo_Count	0
403591	TPSA	136
32582	Undefined_Atom_Stereo_Count	0
450840	Molecular_Weight	302.35
55362	Undefined_Bond_Stereo_Count	0
54705095	Defined_Atom_Stereo_Count	6
65957	Defined_Bond_Stereo_Count	0
638057	Total_Formal_Charge	0
10355130	Defined_Atom_Stereo_Count	0
3032361	Hydrogen_Bond_Donor_Count	1
657306	Hydrogen_Bond_Acceptor_Count	4
93125	Total_Formal_Charge	0
8020	XLogP3	0.2
9955836	Defined_Bond_Stereo_Count	0
2734054	Total_Formal_Charge	0
53477781	Molecular_Weight	368.5
156076150	Undefined_Bond_Stereo_Count	0
135538685	Exact_Mass	247.10692467
36523	TPSA	475
25059	TPSA	66.9
11585872	Exact_Mass	261.06122053
40652	Tautomer_Count	1
58143010	Mono_Isotopic_Weight	116.047344113
12443367	Isotope_Atom_Count	0
4953	Tautomer_Count	40
13976498	Molecular_Weight	94.15
60196385	Isotope_Atom_Count	0
124426477	TPSA	57.2
7239	Isotope_Atom_Count	0
1720	Hydrogen_Bond_Acceptor_Count	3
18410302	Hydrogen_Bond_Donor_Count	1
6433266	Hydrogen_Bond_Donor_Count	3
16117890	Defined_Bond_Stereo_Count	0
145768160	Hydrogen_Bond_Donor_Count	0
23436	Isotope_Atom_Count	0
154461366	Exact_Mass	107.037113783
538175	Structure_Complexity	76.2
16687076	Defined_Atom_Stereo_Count	0
56834579	Covalent_Unit_Count	1
497380	Defined_Bond_Stereo_Count	0
11239	Molecular_Weight	70.13
40496	Undefined_Atom_Stereo_Count	0
64466	Defined_Atom_Stereo_Count	0
54288820	Molecular_Weight	118.13
8222	Molecular_Weight	282.5
135860757	Hydrogen_Bond_Acceptor_Count	5
54582799	Defined_Bond_Stereo_Count	0
17355	Structure_Complexity	123
66581	Hydrogen_Bond_Donor_Count	0
13220626	Undefined_Atom_Stereo_Count	4
9962911	Mono_Isotopic_Weight	908.38775915
21874242	Structure_Complexity	1720
47419	Hydrogen_Bond_Acceptor_Count	12
188350	TPSA	132
556872	Structure_Complexity	105
87474167	TPSA	35.8
550922	Defined_Atom_Stereo_Count	0
12102	Mono_Isotopic_Weight	140.0392780
37631	Hydrogen_Bond_Acceptor_Count	3
49869041	Covalent_Unit_Count	1
19283	Undefined_Bond_Stereo_Count	0
23079882	Total_Formal_Charge	0
560878	TPSA	40.5
73949	Rotatable_Bond_Count	0
8108	Defined_Bond_Stereo_Count	0
85296	Mono_Isotopic_Weight	147.08301860
46693	Undefined_Atom_Stereo_Count	1
394057	Covalent_Unit_Count	1
3492020	Molecular_Weight	218.32
9555	Hydrogen_Bond_Acceptor_Count	21
12321786	Rotatable_Bond_Count	3
87863	Defined_Bond_Stereo_Count	0
637	Undefined_Bond_Stereo_Count	0
17801761	Isotope_Atom_Count	0
2819635	Rotatable_Bond_Count	1
71460733	Defined_Atom_Stereo_Count	3
8784	XLogP3	2.1
82622	Structure_Complexity	343
20348168	Isotope_Atom_Count	0
15505	Defined_Atom_Stereo_Count	0
54436234	Undefined_Atom_Stereo_Count	0
65345	Defined_Atom_Stereo_Count	9
53232451	Mono_Isotopic_Weight	355.13569983
45933886	Defined_Bond_Stereo_Count	0
3032537	Rotatable_Bond_Count	3
12892785	Isotope_Atom_Count	0
15504	TPSA	0
6917662	Hydrogen_Bond_Donor_Count	2
23690444	Total_Formal_Charge	0
71309503	Isotope_Atom_Count	1
3465817	Tautomer_Count	1
611945	Total_Formal_Charge	0
1502	Total_Formal_Charge	1
20352	Rotatable_Bond_Count	4
28048	TPSA	18.5
104933	Undefined_Atom_Stereo_Count	0
4369414	XLogP3-AA	2.3
13001072	Isotope_Atom_Count	0
30337	Exact_Mass	230.11542367
287071	Undefined_Bond_Stereo_Count	0
88836	Defined_Atom_Stereo_Count	0
656743	Non-hydrogen_Atom_Count	28
146356470	Defined_Bond_Stereo_Count	0
4637	Hydrogen_Bond_Donor_Count	2
11714803	Hydrogen_Bond_Acceptor_Count	18
119747	TPSA	26.3
12468822	Structure_Complexity	81.8
118701038	TPSA	0
12866541	Exact_Mass	109.052763847
70509	Defined_Atom_Stereo_Count	0
10455790	TPSA	77.6
118946	Defined_Bond_Stereo_Count	0
53970191	Covalent_Unit_Count	1
141285438	Structure_Complexity	101
285886	Molecular_Weight	284.3
31811	TPSA	113
2557	Defined_Atom_Stereo_Count	0
66749731	Hydrogen_Bond_Donor_Count	2
127516	XLogP3	1.5
162059	Structure_Complexity	110
78126908	Covalent_Unit_Count	1
25244520	Exact_Mass	166.97454984
92343	Undefined_Bond_Stereo_Count	0
23187246	Defined_Bond_Stereo_Count	0
129826870	Defined_Bond_Stereo_Count	0
210328	Defined_Bond_Stereo_Count	0
6437385	Undefined_Atom_Stereo_Count	0
5319706	Rotatable_Bond_Count	14
57164040	Isotope_Atom_Count	0
548	Hydrogen_Bond_Donor_Count	3
6014	Mono_Isotopic_Weight	320.1113975
23000221	Undefined_Atom_Stereo_Count	0
7351	Undefined_Bond_Stereo_Count	0
9547150	Defined_Bond_Stereo_Count	4
150175	Exact_Mass	237.06372245
36005	Undefined_Bond_Stereo_Count	0
18622350	Isotope_Atom_Count	0
25435	Exact_Mass	526.28768825
12079	Structure_Complexity	200
76326	TPSA	26.3
135854412	Rotatable_Bond_Count	0
10310138	Total_Formal_Charge	0
20605239	Rotatable_Bond_Count	0
82534	Tautomer_Count	1
10329304	Hydrogen_Bond_Acceptor_Count	2
17579	TPSA	97.2
5786	Undefined_Bond_Stereo_Count	0
57078122	Defined_Bond_Stereo_Count	0
15165	Undefined_Atom_Stereo_Count	1
12303662	Isotope_Atom_Count	0
71068	Mono_Isotopic_Weight	344.07970687
11608786	Total_Formal_Charge	0
76198	Rotatable_Bond_Count	3
9877	Rotatable_Bond_Count	2
15239355	Structure_Complexity	69.2
134990043	Defined_Bond_Stereo_Count	0
57871279	Undefined_Atom_Stereo_Count	2
14804	Covalent_Unit_Count	3
11226	Hydrogen_Bond_Donor_Count	1
4915	TPSA	53.2
70652	Covalent_Unit_Count	1
154701594	Rotatable_Bond_Count	0
3156	Mono_Isotopic_Weight	378.230728204
55889	Rotatable_Bond_Count	12
644019	TPSA	40.5
13021	Structure_Complexity	84.3
234475	Rotatable_Bond_Count	1
40467085	Hydrogen_Bond_Donor_Count	1
522266	Molecular_Weight	220.35
64953	Exact_Mass	365.00705
8495	Defined_Atom_Stereo_Count	0
73952292	Hydrogen_Bond_Donor_Count	7
54758501	Molecular_Weight	486.6
3299	Defined_Atom_Stereo_Count	0
737157	Molecular_Weight	193.16
1139	Undefined_Atom_Stereo_Count	3
77441779	Undefined_Atom_Stereo_Count	2
138005	Total_Formal_Charge	0
135887831	Covalent_Unit_Count	1
37125	Tautomer_Count	1
58750499	TPSA	29.6
81836	Undefined_Atom_Stereo_Count	0
33653	Mono_Isotopic_Weight	278.1073575
163934	Mono_Isotopic_Weight	170.130679813
657014	Molecular_Weight	154.25
15411	Rotatable_Bond_Count	0
12285871	Undefined_Bond_Stereo_Count	0
239071	Exact_Mass	252.08585488
11597936	Defined_Atom_Stereo_Count	1
545831	Undefined_Atom_Stereo_Count	1
521459	Non-hydrogen_Atom_Count	4
74356	Structure_Complexity	389
12902531	Non-hydrogen_Atom_Count	8
16213460	Defined_Atom_Stereo_Count	0
14505	Exact_Mass	110.036779430
42113	Tautomer_Count	1
123935295	Structure_Complexity	98.5
66064	Undefined_Bond_Stereo_Count	0
398743	Defined_Bond_Stereo_Count	0
57549763	Undefined_Atom_Stereo_Count	3
90895	Tautomer_Count	1
44431171	XLogP3-AA	2.6
154413	Total_Formal_Charge	0
71024610	Covalent_Unit_Count	1
587128	Exact_Mass	168.0341926
7761	Undefined_Bond_Stereo_Count	0
105144	Molecular_Weight	106.42
7202	Hydrogen_Bond_Acceptor_Count	1
96029	Isotope_Atom_Count	0
46567	Tautomer_Count	1
433604	Undefined_Bond_Stereo_Count	0
733076	Molecular_Weight	241.3
4523964	Undefined_Bond_Stereo_Count	0
14671573	TPSA	9.2
135409836	Covalent_Unit_Count	1
444746	Undefined_Atom_Stereo_Count	0
141407094	Defined_Bond_Stereo_Count	0
61236	Defined_Atom_Stereo_Count	0
159087	Non-hydrogen_Atom_Count	22
5362736	Defined_Atom_Stereo_Count	0
7058	Isotope_Atom_Count	0
7400	Tautomer_Count	1
114681	Defined_Atom_Stereo_Count	0
73820465	XLogP3-AA	0.1
12732836	Defined_Bond_Stereo_Count	0
24892775	Exact_Mass	530.07027744
8125	Exact_Mass	112.125200510
628949	Defined_Bond_Stereo_Count	0
23581869	Isotope_Atom_Count	0
133665799	Covalent_Unit_Count	1
15122	Rotatable_Bond_Count	2
66868	Defined_Atom_Stereo_Count	0
132420	Structure_Complexity	451
57395267	Exact_Mass	510.20894739
71756167	TPSA	51
12132667	Defined_Atom_Stereo_Count	0
57336812	Defined_Atom_Stereo_Count	0
18545678	Isotope_Atom_Count	0
15284838	Non-hydrogen_Atom_Count	12
518962	Undefined_Bond_Stereo_Count	0
61205	Defined_Bond_Stereo_Count	0
22714300	Hydrogen_Bond_Acceptor_Count	1
547785	TPSA	60.7
22033763	Hydrogen_Bond_Acceptor_Count	2
52919826	Hydrogen_Bond_Acceptor_Count	5
16130140	Defined_Atom_Stereo_Count	14
36688155	TPSA	162
2733832	Mono_Isotopic_Weight	167.11378108
68069751	Undefined_Bond_Stereo_Count	0
71583269	Undefined_Bond_Stereo_Count	0
10043211	Rotatable_Bond_Count	4
9347	Hydrogen_Bond_Acceptor_Count	4
21428	Defined_Bond_Stereo_Count	0
40813	Isotope_Atom_Count	0
50163	TPSA	121
44629596	Molecular_Weight	493.7
42602351	Covalent_Unit_Count	1
87074	Hydrogen_Bond_Donor_Count	1
1013432	Undefined_Bond_Stereo_Count	0
9948588	Exact_Mass	309.184112366
8836	Defined_Bond_Stereo_Count	0
56949747	Rotatable_Bond_Count	3
447180	Isotope_Atom_Count	0
32014	Hydrogen_Bond_Donor_Count	3
227801	Molecular_Weight	224.30
5618	Covalent_Unit_Count	1
130152397	Exact_Mass	112.052429494
57800	Molecular_Weight	408.3
500	Defined_Bond_Stereo_Count	0
681809	Defined_Bond_Stereo_Count	0
14385	Rotatable_Bond_Count	2
69985	Hydrogen_Bond_Acceptor_Count	3
11116249	Defined_Atom_Stereo_Count	0
104930	Hydrogen_Bond_Donor_Count	0
295864	TPSA	67.9
45256294	Molecular_Weight	402.4
74319	TPSA	32.6
13355	Hydrogen_Bond_Donor_Count	2
5730	TPSA	81.7
57624328	Defined_Bond_Stereo_Count	0
6298	Hydrogen_Bond_Donor_Count	0
4331	Defined_Bond_Stereo_Count	0
124723	Total_Formal_Charge	0
56675795	Total_Formal_Charge	0
5748733	Undefined_Bond_Stereo_Count	0
15787996	Covalent_Unit_Count	2
129628127	Rotatable_Bond_Count	1
44447915	Hydrogen_Bond_Donor_Count	2
75092	Mono_Isotopic_Weight	144.126263138
63629	Covalent_Unit_Count	1
139134	Covalent_Unit_Count	1
13204	Structure_Complexity	98.7
11310242	XLogP3-AA	5.4
83763	Covalent_Unit_Count	1
143817762	Exact_Mass	107.073499291
44404657	XLogP3-AA	4.6
101835694	Undefined_Bond_Stereo_Count	0
2529	Mono_Isotopic_Weight	476.1682861
19130	Rotatable_Bond_Count	5
28048	Covalent_Unit_Count	1
91601	Hydrogen_Bond_Acceptor_Count	3
365673	Mono_Isotopic_Weight	438.2186393
66614	Total_Formal_Charge	0
72656	Structure_Complexity	139
14494974	XLogP3-AA	0.9
4905	Tautomer_Count	1
5558	Covalent_Unit_Count	1
20011	Mono_Isotopic_Weight	250.0752019
41353	Rotatable_Bond_Count	6
135424770	Hydrogen_Bond_Donor_Count	1
82506	Molecular_Weight	192.21
89453139	Total_Formal_Charge	0
148200	Mono_Isotopic_Weight	331.05528302
79704	Structure_Complexity	439
45120378	Total_Formal_Charge	0
99646540	Exact_Mass	284.16237386
9838022	Rotatable_Bond_Count	5
59495	TPSA	29.1
22901278	Defined_Bond_Stereo_Count	0
8407	Non-hydrogen_Atom_Count	16
2764874	Exact_Mass	264.07103389
1951	Undefined_Bond_Stereo_Count	0
8883	Undefined_Bond_Stereo_Count	0
13450	Tautomer_Count	81
141130780	Defined_Bond_Stereo_Count	0
5702132	Defined_Atom_Stereo_Count	0
151726	Defined_Atom_Stereo_Count	0
67494396	Defined_Atom_Stereo_Count	0
11799	Defined_Bond_Stereo_Count	0
1387	Isotope_Atom_Count	0
19380118	TPSA	13.1
6917697	Exact_Mass	483.1936270
134158849	XLogP3-AA	4.4
6539039	Undefined_Bond_Stereo_Count	0
7841	Undefined_Bond_Stereo_Count	0
84071885	Exact_Mass	116.058577502
11840951	Rotatable_Bond_Count	3
131751341	Hydrogen_Bond_Donor_Count	8
67493918	Hydrogen_Bond_Acceptor_Count	2
95934	Non-hydrogen_Atom_Count	22
96198	Hydrogen_Bond_Donor_Count	0
98621118	Undefined_Bond_Stereo_Count	0
25211987	XLogP3-AA	4.3
118505252	Structure_Complexity	113
197083	Structure_Complexity	481
2766847	Covalent_Unit_Count	1
3036905	Undefined_Bond_Stereo_Count	0
301567	Defined_Bond_Stereo_Count	0
141037332	Molecular_Weight	93.13
49831411	Isotope_Atom_Count	0
20426877	Isotope_Atom_Count	0
122356	TPSA	55.1
67849	Isotope_Atom_Count	0
36218	TPSA	0
9798437	Rotatable_Bond_Count	3
38884	Total_Formal_Charge	0
59875983	Total_Formal_Charge	0
131752808	Hydrogen_Bond_Donor_Count	0
144793800	Exact_Mass	102.079312947
22365278	Defined_Bond_Stereo_Count	0
38040	Hydrogen_Bond_Acceptor_Count	0
12523672	Defined_Bond_Stereo_Count	0
42512	Molecular_Weight	321.5
12084878	Hydrogen_Bond_Donor_Count	0
70967	Exact_Mass	146.084398327
159324	Tautomer_Count	1
448002	TPSA	104
185620	Undefined_Bond_Stereo_Count	0
139020	Exact_Mass	116.083729621
520907	Isotope_Atom_Count	0
129317852	Isotope_Atom_Count	0
21158460	Total_Formal_Charge	0
4171	Non-hydrogen_Atom_Count	19
6602154	Total_Formal_Charge	0
1672	Exact_Mass	89.084063974
668508	Defined_Bond_Stereo_Count	0
6603	Structure_Complexity	131
24866358	Molecular_Weight	471.9
5462501	TPSA	107
6738	Defined_Atom_Stereo_Count	0
65835	Rotatable_Bond_Count	2
129696858	Isotope_Atom_Count	0
165685	Hydrogen_Bond_Acceptor_Count	5
36486	Undefined_Bond_Stereo_Count	0
44392218	Defined_Bond_Stereo_Count	0
59450	Exact_Mass	368.23380221
139064747	Non-hydrogen_Atom_Count	24
160078	Defined_Atom_Stereo_Count	0
6922	Undefined_Atom_Stereo_Count	0
129317062	Defined_Atom_Stereo_Count	1
185654	Covalent_Unit_Count	1
76883	Molecular_Weight	148.20
20062980	XLogP3-AA	0.8
7734	Molecular_Weight	134.22
12171	Molecular_Weight	175.05
21749202	Structure_Complexity	78.6
15703	Covalent_Unit_Count	1
13587089	Hydrogen_Bond_Donor_Count	1
66703	Structure_Complexity	531
97252	Tautomer_Count	1
2294	XLogP3	0.6
44195571	Total_Formal_Charge	0
9906	Rotatable_Bond_Count	0
102390049	Non-hydrogen_Atom_Count	25
10898675	Covalent_Unit_Count	1
5360232	Undefined_Atom_Stereo_Count	0
22221739	Covalent_Unit_Count	1
97617	Defined_Bond_Stereo_Count	0
6951129	Defined_Bond_Stereo_Count	0
13838546	Exact_Mass	110.048012819
49862689	Isotope_Atom_Count	0
61101	Hydrogen_Bond_Acceptor_Count	8
68636556	Covalent_Unit_Count	1
59111489	Undefined_Atom_Stereo_Count	6
90432	Isotope_Atom_Count	0
13223	XLogP3-AA	0.7
42609805	Undefined_Atom_Stereo_Count	0
22323434	Structure_Complexity	551
82718176	Defined_Bond_Stereo_Count	0
18615953	Mono_Isotopic_Weight	116.058577502
14067296	Exact_Mass	94.041864811
90869	Undefined_Atom_Stereo_Count	1
135408714	Covalent_Unit_Count	1
60785	Tautomer_Count	1
3816043	Total_Formal_Charge	0
8923	Non-hydrogen_Atom_Count	14
97747	Rotatable_Bond_Count	11
22129001	Hydrogen_Bond_Donor_Count	1
114781	Undefined_Atom_Stereo_Count	0
136499	Rotatable_Bond_Count	0
3658	Hydrogen_Bond_Acceptor_Count	4
6918332	Undefined_Atom_Stereo_Count	0
8411	TPSA	70.5
964856	Rotatable_Bond_Count	3
125127452	Isotope_Atom_Count	0
86171	Defined_Atom_Stereo_Count	0
5905	Structure_Complexity	386
71452498	Molecular_Weight	535.5
5154	Structure_Complexity	530
9940999	Molecular_Weight	419.2
443041	Undefined_Bond_Stereo_Count	0
155142	Exact_Mass	1594.13173511
8230	Total_Formal_Charge	0
443873	Tautomer_Count	2
137090	XLogP3-AA	1.6
135399235	XLogP3-AA	1.6
24721103	Undefined_Atom_Stereo_Count	2
10930	TPSA	43.1
6922	Mono_Isotopic_Weight	161.04523368
6545	Tautomer_Count	1
167724	Non-hydrogen_Atom_Count	7
102494937	XLogP3-AA	0.9
5270576	Undefined_Atom_Stereo_Count	0
67240553	Undefined_Atom_Stereo_Count	0
259587	Non-hydrogen_Atom_Count	20
163872483	Isotope_Atom_Count	0
65300	TPSA	29.1
720213	Rotatable_Bond_Count	6
83150	Hydrogen_Bond_Acceptor_Count	3
119095461	Hydrogen_Bond_Donor_Count	1
2724141	Undefined_Bond_Stereo_Count	0
131750190	Structure_Complexity	1280
10746	Hydrogen_Bond_Acceptor_Count	3
13529145	Hydrogen_Bond_Acceptor_Count	1
77520435	Undefined_Bond_Stereo_Count	0
17477	Defined_Bond_Stereo_Count	0
135915	Tautomer_Count	28
83803459	Hydrogen_Bond_Donor_Count	1
441934	Molecular_Weight	933.1
23238238	Rotatable_Bond_Count	13
87505	Total_Formal_Charge	1
13927379	Molecular_Weight	117.15
17904805	Defined_Bond_Stereo_Count	0
61007	XLogP3	2.1
123131999	Undefined_Atom_Stereo_Count	1
79242	Mono_Isotopic_Weight	166.074227566
634470	Molecular_Weight	416.5
9835852	TPSA	67.6
147522	Exact_Mass	80.05019218
99058	Exact_Mass	260.02971899
72207931	Total_Formal_Charge	0
347402	Isotope_Atom_Count	0
9969177	Rotatable_Bond_Count	6
3037160	Non-hydrogen_Atom_Count	17
219024	Hydrogen_Bond_Acceptor_Count	10
54064807	Molecular_Weight	112.17
15129466	Defined_Bond_Stereo_Count	0
87280032	Defined_Bond_Stereo_Count	0
5538	Molecular_Weight	300.4
14013	Isotope_Atom_Count	0
130564	Tautomer_Count	1
168623	Total_Formal_Charge	0
38989055	Rotatable_Bond_Count	6
9754	XLogP3-AA	2.6
3035405	Isotope_Atom_Count	0
65332	Defined_Bond_Stereo_Count	0
129679806	Non-hydrogen_Atom_Count	8
19036	Defined_Bond_Stereo_Count	0
61718	Mono_Isotopic_Weight	256.16745924
162747	Tautomer_Count	1
5484438	Covalent_Unit_Count	2
9963430	Defined_Bond_Stereo_Count	0
17933153	Hydrogen_Bond_Acceptor_Count	4
67374621	Undefined_Atom_Stereo_Count	0
84	Undefined_Atom_Stereo_Count	6
40468	Defined_Bond_Stereo_Count	0
403803	Undefined_Bond_Stereo_Count	0
35876	Rotatable_Bond_Count	2
66830	Defined_Atom_Stereo_Count	0
15466	Tautomer_Count	4
11282283	Isotope_Atom_Count	0
162681	Hydrogen_Bond_Acceptor_Count	5
16090272	Isotope_Atom_Count	0
20979505	Defined_Atom_Stereo_Count	0
44454985	Non-hydrogen_Atom_Count	30
118994155	Defined_Atom_Stereo_Count	0
59809	Undefined_Atom_Stereo_Count	0
67050751	Structure_Complexity	70.1
25960	Tautomer_Count	1
121893	Undefined_Bond_Stereo_Count	0
164705775	Hydrogen_Bond_Donor_Count	8
101365706	Covalent_Unit_Count	1
5282468	Undefined_Bond_Stereo_Count	0
6803597	Undefined_Bond_Stereo_Count	1
7736	TPSA	29.3
444170	Structure_Complexity	1130
35703	Molecular_Weight	190.19
136400	Undefined_Atom_Stereo_Count	0
439168	Exact_Mass	169.99802494
49217	Hydrogen_Bond_Acceptor_Count	4
2723810	Hydrogen_Bond_Acceptor_Count	2
21616978	Structure_Complexity	114
12845046	Structure_Complexity	76.8
44135711	Structure_Complexity	732
5352693	Total_Formal_Charge	0
587348	Hydrogen_Bond_Donor_Count	1
442941	Undefined_Atom_Stereo_Count	0
71145	Undefined_Bond_Stereo_Count	0
74695	Isotope_Atom_Count	0
6197	Molecular_Weight	281.35
57392610	Undefined_Atom_Stereo_Count	0
100930731	Molecular_Weight	96.13
656954	Non-hydrogen_Atom_Count	20
22451318	Exact_Mass	104.037448136
443958	Defined_Atom_Stereo_Count	8
155895288	Structure_Complexity	125
46942544	Mono_Isotopic_Weight	332.11071051
12391	TPSA	0
135482068	Defined_Bond_Stereo_Count	1
52950901	Defined_Bond_Stereo_Count	0
25102	TPSA	132
440623	TPSA	57.5
46204403	TPSA	54.4
135418174	Rotatable_Bond_Count	2
2563	Undefined_Bond_Stereo_Count	0
12546244	Undefined_Atom_Stereo_Count	0
9810601	Hydrogen_Bond_Acceptor_Count	14
5281515	Total_Formal_Charge	0
57302156	TPSA	50.1
77312	Hydrogen_Bond_Donor_Count	0
89317	Undefined_Atom_Stereo_Count	1
6992027	Mono_Isotopic_Weight	433.21138974
10518	Hydrogen_Bond_Donor_Count	2
5235	Rotatable_Bond_Count	0
16683101	Isotope_Atom_Count	0
27926	Molecular_Weight	235.36
4206	Defined_Bond_Stereo_Count	0
9256	Hydrogen_Bond_Donor_Count	0
29227	Hydrogen_Bond_Acceptor_Count	2
701186	Isotope_Atom_Count	0
160458	Undefined_Bond_Stereo_Count	0
56633764	Structure_Complexity	173
60196438	Undefined_Bond_Stereo_Count	0
9313	Mono_Isotopic_Weight	273.011291
99147	Hydrogen_Bond_Acceptor_Count	2
7058029	Exact_Mass	148.088815002
5460185	Hydrogen_Bond_Acceptor_Count	5
21749233	Isotope_Atom_Count	0
118701651	XLogP3-AA	3.4
631271	Mono_Isotopic_Weight	344.10956770
44321290	Exact_Mass	548.35151204
443970	Undefined_Atom_Stereo_Count	0
432760	TPSA	125
44031	Hydrogen_Bond_Acceptor_Count	1
38040	Mono_Isotopic_Weight	289.922361
119476	Tautomer_Count	1
21201338	Molecular_Weight	203.26
535823	Rotatable_Bond_Count	1
17019	Non-hydrogen_Atom_Count	16
129815740	Undefined_Bond_Stereo_Count	0
10214	Hydrogen_Bond_Acceptor_Count	17
6051	Defined_Atom_Stereo_Count	0
6409631	Covalent_Unit_Count	1
37642	Tautomer_Count	1
780	Undefined_Atom_Stereo_Count	0
10207842	Undefined_Atom_Stereo_Count	0
6457	Non-hydrogen_Atom_Count	20
3139	Defined_Bond_Stereo_Count	0
89159	Undefined_Bond_Stereo_Count	0
129709636	Undefined_Bond_Stereo_Count	0
89392	Rotatable_Bond_Count	8
12040508	Hydrogen_Bond_Acceptor_Count	11
219025	Total_Formal_Charge	0
7620	Undefined_Atom_Stereo_Count	0
643968	Mono_Isotopic_Weight	246.06519962
70702000	Isotope_Atom_Count	0
9821849	Defined_Atom_Stereo_Count	6
3081372	Structure_Complexity	2550
44550483	Structure_Complexity	123
6452419	Molecular_Weight	322.9
10883239	Structure_Complexity	629
637563	Defined_Bond_Stereo_Count	1
7485	TPSA	55
350445	Exact_Mass	98.048012819
24027	Undefined_Bond_Stereo_Count	0
135445749	Mono_Isotopic_Weight	503.15052004
69070	Covalent_Unit_Count	1
5159	Defined_Atom_Stereo_Count	0
5462310	Molecular_Weight	12.011
13082553	Defined_Atom_Stereo_Count	0
57401684	TPSA	102
11321894	Covalent_Unit_Count	1
5496	Isotope_Atom_Count	0
20082658	Structure_Complexity	90.1
129872945	TPSA	33.6
23725174	XLogP3-AA	3.4
5364971	Mono_Isotopic_Weight	168.151415257
141201	Hydrogen_Bond_Donor_Count	0
67543	Mono_Isotopic_Weight	399.9944371
42645244	Molecular_Weight	477.6
46529	Defined_Bond_Stereo_Count	0
2734941	Exact_Mass	398.216337987
129803162	Isotope_Atom_Count	0
89098888	Defined_Atom_Stereo_Count	0
15615	Undefined_Atom_Stereo_Count	0
141260926	Hydrogen_Bond_Acceptor_Count	2
46204457	Structure_Complexity	699
67233953	Exact_Mass	403.10676552
5282433	Defined_Atom_Stereo_Count	0
565472	Non-hydrogen_Atom_Count	11
23405789	Structure_Complexity	742
2982	Structure_Complexity	643
529278	Hydrogen_Bond_Donor_Count	0
644235	Isotope_Atom_Count	0
675533	TPSA	77.2
62706165	Structure_Complexity	822
160430	Defined_Atom_Stereo_Count	0
10129921	Mono_Isotopic_Weight	111.068413911
71339534	Molecular_Weight	472.7
31952	Covalent_Unit_Count	1
2745	Undefined_Atom_Stereo_Count	5
15830	Total_Formal_Charge	0
163050682	Structure_Complexity	415
69550	Defined_Atom_Stereo_Count	0
12023	Total_Formal_Charge	0
135436520	Covalent_Unit_Count	2
5360886	Hydrogen_Bond_Acceptor_Count	4
117807974	Defined_Bond_Stereo_Count	0
89582531	Hydrogen_Bond_Donor_Count	1
40933	TPSA	42.2
135449328	Non-hydrogen_Atom_Count	31
10455	Total_Formal_Charge	0
67174361	Molecular_Weight	287.14
28340	Undefined_Bond_Stereo_Count	0
12146767	Molecular_Weight	81.12
151093	Defined_Bond_Stereo_Count	0
5287554	Tautomer_Count	27
75394	Structure_Complexity	118
17948	Undefined_Atom_Stereo_Count	0
55298738	Non-hydrogen_Atom_Count	8
3153	Isotope_Atom_Count	0
20931	Isotope_Atom_Count	0
11673148	Total_Formal_Charge	0
11350	Total_Formal_Charge	0
23668195	Tautomer_Count	1
83735	Hydrogen_Bond_Donor_Count	2
11675388	Total_Formal_Charge	0
18687754	Exact_Mass	348.00794255
6974	Defined_Bond_Stereo_Count	0
56842185	Molecular_Weight	384.4
46832769	Molecular_Weight	182.22
676242	TPSA	35.6
79772	Undefined_Atom_Stereo_Count	0
65854	Covalent_Unit_Count	1
375912	Rotatable_Bond_Count	1
107720	Defined_Atom_Stereo_Count	1
84506	Hydrogen_Bond_Acceptor_Count	6
8380	TPSA	52.6
6909	Covalent_Unit_Count	1
62965	XLogP3	2
9838022	Exact_Mass	221.177964357
41432	XLogP3	0.1
12298493	TPSA	44
75005	Hydrogen_Bond_Donor_Count	0
165074	TPSA	0
94860	Undefined_Atom_Stereo_Count	0
87468661	Covalent_Unit_Count	1
35766	Rotatable_Bond_Count	6
82273	Covalent_Unit_Count	2
6869	Covalent_Unit_Count	1
23358608	Total_Formal_Charge	0
4560140	Covalent_Unit_Count	1
3605	Rotatable_Bond_Count	24
152743492	Structure_Complexity	588
45238	Undefined_Atom_Stereo_Count	2
53846432	Total_Formal_Charge	0
11122	Isotope_Atom_Count	0
65478	Defined_Bond_Stereo_Count	0
87962	Isotope_Atom_Count	0
46930044	Isotope_Atom_Count	0
11197	Non-hydrogen_Atom_Count	26
15570	Defined_Bond_Stereo_Count	0
11817188	TPSA	20.2
55352	Rotatable_Bond_Count	6
222155	Covalent_Unit_Count	1
124224930	TPSA	195
36572	Mono_Isotopic_Weight	406.1560391
8211	Molecular_Weight	241.46
140920	TPSA	53.2
3032282	Mono_Isotopic_Weight	734.56998054
51375036	Undefined_Atom_Stereo_Count	0
595999	Isotope_Atom_Count	0
26447	Defined_Bond_Stereo_Count	0
89608	Total_Formal_Charge	0
139585898	Defined_Bond_Stereo_Count	3
8527	Defined_Bond_Stereo_Count	0
460392	XLogP3-AA	4.1
6919051	Hydrogen_Bond_Acceptor_Count	6
252325	Total_Formal_Charge	0
9802542	Undefined_Bond_Stereo_Count	0
123519634	TPSA	0
91650	Molecular_Weight	199.25
131407356	Undefined_Atom_Stereo_Count	0
23680518	Structure_Complexity	957
551296	Mono_Isotopic_Weight	114.104465066
16197730	Exact_Mass	1944.87636988
2734687	Structure_Complexity	41.6
37242	Undefined_Bond_Stereo_Count	0
444314	Total_Formal_Charge	0
58208	Defined_Bond_Stereo_Count	0
5748217	Non-hydrogen_Atom_Count	33
50891	Isotope_Atom_Count	0
71541188	XLogP3-AA	3.1
533933	Total_Formal_Charge	0
104677	Total_Formal_Charge	0
75657	Covalent_Unit_Count	1
47267	Tautomer_Count	1
16659841	Hydrogen_Bond_Donor_Count	3
12836140	Molecular_Weight	111.18
518733	Undefined_Atom_Stereo_Count	0
637568	Non-hydrogen_Atom_Count	10
351917	Isotope_Atom_Count	0
71342117	Defined_Bond_Stereo_Count	0
13519	Undefined_Atom_Stereo_Count	1
11562233	Defined_Atom_Stereo_Count	0
12002494	Exact_Mass	454.0866393
20872204	Covalent_Unit_Count	1
643833	Exact_Mass	95.9533555
12968	Total_Formal_Charge	0
136673	Rotatable_Bond_Count	1
15202942	Exact_Mass	99.068413911
57406720	Undefined_Atom_Stereo_Count	1
448457	Total_Formal_Charge	0
4268635	Exact_Mass	152.0392780
86063	Exact_Mass	183.06439116
78422638	Isotope_Atom_Count	0
17734	Defined_Atom_Stereo_Count	0
5284369	Covalent_Unit_Count	1
5460094	Total_Formal_Charge	0
61209	Undefined_Bond_Stereo_Count	0
79	Defined_Atom_Stereo_Count	0
1069125	Defined_Bond_Stereo_Count	0
248961	Undefined_Bond_Stereo_Count	0
49837	Mono_Isotopic_Weight	196.9105048
29393	Defined_Bond_Stereo_Count	0
22475	Structure_Complexity	284
92738	TPSA	3.2
88715	Covalent_Unit_Count	1
91620	TPSA	112
53372724	Exact_Mass	526.25735413
11634725	Molecular_Weight	500.3
12474173	Covalent_Unit_Count	1
65919626	Non-hydrogen_Atom_Count	7
100472	Structure_Complexity	343
60751	Total_Formal_Charge	0
44308032	Hydrogen_Bond_Acceptor_Count	4
76013	Structure_Complexity	412
637892	Covalent_Unit_Count	1
44623071	Rotatable_Bond_Count	0
35912	TPSA	41.6
62512	XLogP3-AA	9.7
14866914	Mono_Isotopic_Weight	102.031694049
70269	Tautomer_Count	9
54675757	Undefined_Atom_Stereo_Count	0
91434	Undefined_Atom_Stereo_Count	0
9892539	Undefined_Bond_Stereo_Count	0
14281426	Undefined_Bond_Stereo_Count	0
44644	Undefined_Bond_Stereo_Count	0
162955687	Non-hydrogen_Atom_Count	23
102846	Hydrogen_Bond_Acceptor_Count	1
57179768	Undefined_Atom_Stereo_Count	0
53316380	Structure_Complexity	380
12353957	Total_Formal_Charge	0
5282947	Molecular_Weight	296.4
69046	XLogP3-AA	3.6
23080867	Molecular_Weight	113.11
115118	Hydrogen_Bond_Acceptor_Count	5
42395	Undefined_Bond_Stereo_Count	0
137430	Undefined_Bond_Stereo_Count	0
51814	Total_Formal_Charge	0
89350	TPSA	52.6
156963402	Defined_Bond_Stereo_Count	1
9548720	Structure_Complexity	641
15437	Undefined_Atom_Stereo_Count	1
54169757	Mono_Isotopic_Weight	120.04225873
70789955	Defined_Bond_Stereo_Count	0
6604365	XLogP3	2.6
91490309	Undefined_Bond_Stereo_Count	0
31364	Hydrogen_Bond_Acceptor_Count	4
53486702	Rotatable_Bond_Count	6
153974	Hydrogen_Bond_Acceptor_Count	5
92406	Hydrogen_Bond_Acceptor_Count	3
22644568	XLogP3-AA	3.6
3033053	Exact_Mass	245.177964357
166486721	Structure_Complexity	121
31355	Structure_Complexity	201
20202559	Hydrogen_Bond_Donor_Count	0
21580808	Structure_Complexity	330
90571	Undefined_Bond_Stereo_Count	0
11181836	Covalent_Unit_Count	2
124173720	Molecular_Weight	407.4
71459864	Covalent_Unit_Count	2
131721310	TPSA	0
25607	Exact_Mass	263.864788
11326928	Defined_Bond_Stereo_Count	0
16129759	Covalent_Unit_Count	1
54120	Total_Formal_Charge	0
53361524	Defined_Atom_Stereo_Count	0
129845	Defined_Bond_Stereo_Count	0
9961878	Molecular_Weight	719.6
504571	Molecular_Weight	236.31
26197	Undefined_Bond_Stereo_Count	0
10215	Hydrogen_Bond_Donor_Count	2
78422661	Isotope_Atom_Count	0
3671	Structure_Complexity	288
129791	Isotope_Atom_Count	0
533840	Covalent_Unit_Count	1
5460795	Hydrogen_Bond_Donor_Count	3
22082546	Rotatable_Bond_Count	2
1260	Non-hydrogen_Atom_Count	28
89159	Exact_Mass	208.07355886
3527810	Defined_Atom_Stereo_Count	0
91687	Isotope_Atom_Count	0
4126474	Isotope_Atom_Count	0
17827145	Isotope_Atom_Count	0
72210	XLogP3-AA	1.4
20653311	TPSA	27.7
67317342	Molecular_Weight	100.16
14784415	Molecular_Weight	97.12
115011059	Hydrogen_Bond_Donor_Count	0
84720	Exact_Mass	266.02913527
56984356	TPSA	49.8
53316382	Covalent_Unit_Count	1
166548151	Hydrogen_Bond_Acceptor_Count	1
240230	Molecular_Weight	142.24
31593	Isotope_Atom_Count	0
216237	Defined_Bond_Stereo_Count	0
107760	Rotatable_Bond_Count	9
59434	TPSA	46.5
13577903	Hydrogen_Bond_Donor_Count	2
25200298	Hydrogen_Bond_Donor_Count	4
64964	Non-hydrogen_Atom_Count	14
15047014	Rotatable_Bond_Count	1
11565240	TPSA	74.5
43216	TPSA	41.5
85238	Defined_Bond_Stereo_Count	0
60196286	Undefined_Atom_Stereo_Count	0
21445949	Hydrogen_Bond_Donor_Count	2
11182	Undefined_Bond_Stereo_Count	0
2807878	Isotope_Atom_Count	0
249778	Defined_Atom_Stereo_Count	0
71707	Mono_Isotopic_Weight	249.172878976
5361463	Hydrogen_Bond_Acceptor_Count	3
3107848	TPSA	46.2
33479	Hydrogen_Bond_Donor_Count	1
54032194	Undefined_Atom_Stereo_Count	0
92162	Non-hydrogen_Atom_Count	5
99451	Undefined_Atom_Stereo_Count	0
19406	Undefined_Bond_Stereo_Count	0
5319	Rotatable_Bond_Count	3
71170	Undefined_Bond_Stereo_Count	0
5305	Undefined_Atom_Stereo_Count	0
13110225	Structure_Complexity	96.6
1203	Hydrogen_Bond_Donor_Count	5
65287	Undefined_Bond_Stereo_Count	1
12885796	Defined_Atom_Stereo_Count	0
895	Hydrogen_Bond_Donor_Count	3
18698	TPSA	26.3
25208	Non-hydrogen_Atom_Count	12
49290	Isotope_Atom_Count	0
915	Non-hydrogen_Atom_Count	20
54245381	Structure_Complexity	59.5
84507	Total_Formal_Charge	0
83797	Tautomer_Count	5
55004	Total_Formal_Charge	0
204109	Exact_Mass	381.08349271
23163355	Exact_Mass	113.047678466
44456	Structure_Complexity	305
135440430	Undefined_Atom_Stereo_Count	0
21233	Hydrogen_Bond_Donor_Count	0
2734229	Structure_Complexity	206
6883	Defined_Atom_Stereo_Count	4
54382	Isotope_Atom_Count	0
135565082	TPSA	84.2
23724843	Isotope_Atom_Count	0
101609	Covalent_Unit_Count	1
139171223	Rotatable_Bond_Count	5
643990	Molecular_Weight	820.7
20701	TPSA	105
56959	Molecular_Weight	427.5
137720	Molecular_Weight	88.11
1365	Structure_Complexity	698
657255	Undefined_Bond_Stereo_Count	0
13619723	Hydrogen_Bond_Acceptor_Count	1
9807600	Exact_Mass	547.99053
330740	Hydrogen_Bond_Donor_Count	4
5376733	Total_Formal_Charge	0
13652	TPSA	0
160538	Non-hydrogen_Atom_Count	10
54584798	Hydrogen_Bond_Acceptor_Count	4
14420972	Mono_Isotopic_Weight	140.076974926
101254311	Non-hydrogen_Atom_Count	12
11909	TPSA	29.4
23987	Undefined_Bond_Stereo_Count	0
76223940	Covalent_Unit_Count	1
447227	Total_Formal_Charge	0
8816	Defined_Atom_Stereo_Count	0
74413	Undefined_Atom_Stereo_Count	0
7728	Molecular_Weight	121.18
135394876	Isotope_Atom_Count	0
21809017	Hydrogen_Bond_Donor_Count	0
14798	Exact_Mass	39.99250893
6076971	Undefined_Bond_Stereo_Count	0
5364713	Total_Formal_Charge	0
16129778	Defined_Bond_Stereo_Count	0
116021439	Mono_Isotopic_Weight	113.084063974
14140995	Hydrogen_Bond_Donor_Count	0
42104317	TPSA	78.9
51132	Mono_Isotopic_Weight	132.078644241
39214	XLogP3	0.4
78968	Undefined_Atom_Stereo_Count	0
115355	Molecular_Weight	329.23
16224456	Tautomer_Count	1
86170	Tautomer_Count	1
50258	Structure_Complexity	371
12955	Undefined_Bond_Stereo_Count	0
65620	XLogP3-AA	3.6
54697325	Rotatable_Bond_Count	7
2044	Rotatable_Bond_Count	2
5281771	Molecular_Weight	786.7
10839	TPSA	38.8
83797	Undefined_Atom_Stereo_Count	0
8226	Defined_Atom_Stereo_Count	3
5238	Covalent_Unit_Count	2
56608900	Hydrogen_Bond_Acceptor_Count	1
118705472	Rotatable_Bond_Count	5
45480603	Undefined_Bond_Stereo_Count	0
17118	Covalent_Unit_Count	2
26117	Molecular_Weight	176.17
2734898	Hydrogen_Bond_Acceptor_Count	3
24197462	Exact_Mass	397.060151
4514	Tautomer_Count	2
85764696	Undefined_Atom_Stereo_Count	0
7853	Exact_Mass	57.057849228
4317	Molecular_Weight	316.39
81902	Rotatable_Bond_Count	1
2724170	Isotope_Atom_Count	0
24181099	Isotope_Atom_Count	0
4978638	Defined_Bond_Stereo_Count	0
21872570	Defined_Atom_Stereo_Count	0
15559073	Molecular_Weight	278.4
11235729	TPSA	90.4
499953	Covalent_Unit_Count	1
71461541	Undefined_Bond_Stereo_Count	0
135887820	Hydrogen_Bond_Donor_Count	6
135401234	Hydrogen_Bond_Acceptor_Count	8
5283134	Total_Formal_Charge	0
80307	Exact_Mass	75.068413911
37459	Non-hydrogen_Atom_Count	27
3033621	Tautomer_Count	3
16682730	Non-hydrogen_Atom_Count	11
14800	Tautomer_Count	1
56842993	Total_Formal_Charge	0
162204726	Covalent_Unit_Count	1
123373475	Undefined_Atom_Stereo_Count	3
19846	Hydrogen_Bond_Acceptor_Count	2
65792	Structure_Complexity	1400
173636	Hydrogen_Bond_Donor_Count	2
23695850	Undefined_Bond_Stereo_Count	0
5356697	Molecular_Weight	82.10
11949689	Structure_Complexity	538
80542	Mono_Isotopic_Weight	330.14806121
537677	Covalent_Unit_Count	1
102334657	XLogP3-AA	4
6431226	Total_Formal_Charge	0
88786	Defined_Bond_Stereo_Count	0
85296	Non-hydrogen_Atom_Count	9
74233	Hydrogen_Bond_Donor_Count	1
3048	Covalent_Unit_Count	1
10264356	Total_Formal_Charge	0
54697325	Hydrogen_Bond_Acceptor_Count	10
81233	Non-hydrogen_Atom_Count	14
17814354	Undefined_Bond_Stereo_Count	0
5114908	Hydrogen_Bond_Acceptor_Count	1
139211202	Undefined_Bond_Stereo_Count	0
10158868	Mono_Isotopic_Weight	416.16305982
25023858	Structure_Complexity	702
86467	Defined_Bond_Stereo_Count	0
5281168	Tautomer_Count	1
134506	Structure_Complexity	508
36688207	Molecular_Weight	347.5
520217	Hydrogen_Bond_Acceptor_Count	5
133688938	Non-hydrogen_Atom_Count	42
87906	Molecular_Weight	96.17
6497	Covalent_Unit_Count	1
11507920	XLogP3-AA	3.7
10614	Undefined_Bond_Stereo_Count	0
402875	Isotope_Atom_Count	0
662960	Undefined_Bond_Stereo_Count	1
11829397	TPSA	25.1
118701198	Mono_Isotopic_Weight	479.28830265
16051696	Molecular_Weight	393.5
57470515	Defined_Bond_Stereo_Count	0
15778	Non-hydrogen_Atom_Count	8
534959	Molecular_Weight	98.14
15533	Exact_Mass	402.96055
7073	Rotatable_Bond_Count	5
656587	Total_Formal_Charge	0
2728077	Total_Formal_Charge	0
9808654	Structure_Complexity	783
87425008	Molecular_Weight	349.2
10920463	Rotatable_Bond_Count	0
87984	Molecular_Weight	178.27
517063	Isotope_Atom_Count	0
54493962	Undefined_Atom_Stereo_Count	0
444294	Undefined_Atom_Stereo_Count	0
578334	Undefined_Bond_Stereo_Count	0
9859094	Molecular_Weight	204.35
123892691	Defined_Atom_Stereo_Count	0
442294	Isotope_Atom_Count	0
49621	Defined_Atom_Stereo_Count	0
5147171	Hydrogen_Bond_Acceptor_Count	4
71210615	Defined_Atom_Stereo_Count	5
469717	Undefined_Bond_Stereo_Count	0
90019226	Structure_Complexity	47
6921	Mono_Isotopic_Weight	179.9953623
90495	Total_Formal_Charge	0
657302	Structure_Complexity	356
166957	Total_Formal_Charge	0
23681107	Molecular_Weight	325.12
57913	Non-hydrogen_Atom_Count	8
21547072	Non-hydrogen_Atom_Count	7
24869	Mono_Isotopic_Weight	112.052429494
6767	Molecular_Weight	350.4
67361	Structure_Complexity	175
10750	Structure_Complexity	232
23615430	Non-hydrogen_Atom_Count	16
18757414	Covalent_Unit_Count	1
11349389	Isotope_Atom_Count	0
137347967	Undefined_Bond_Stereo_Count	0
6581	Covalent_Unit_Count	1
6332110	Structure_Complexity	227
79834	Defined_Atom_Stereo_Count	0
134688930	Non-hydrogen_Atom_Count	23
8199	Defined_Atom_Stereo_Count	0
1302	Undefined_Atom_Stereo_Count	1
10715582	Molecular_Weight	393.4
60569	Covalent_Unit_Count	2
90184753	Defined_Bond_Stereo_Count	0
6548	Defined_Atom_Stereo_Count	0
5360970	TPSA	58.9
164522	Hydrogen_Bond_Donor_Count	1
45380694	Isotope_Atom_Count	0
5281567	XLogP3-AA	2.4
18376592	Defined_Atom_Stereo_Count	0
23729666	Exact_Mass	386.2124913
73341	Rotatable_Bond_Count	4
111318	Hydrogen_Bond_Donor_Count	0
83467	Hydrogen_Bond_Donor_Count	2
14577080	Total_Formal_Charge	0
134694041	Defined_Atom_Stereo_Count	6
15535273	Covalent_Unit_Count	1
91996	Hydrogen_Bond_Donor_Count	1
147630	Undefined_Bond_Stereo_Count	0
2409	Total_Formal_Charge	0
582408	TPSA	46.2
11499271	Rotatable_Bond_Count	2
54300272	Isotope_Atom_Count	0
51047	Isotope_Atom_Count	0
22220875	Defined_Bond_Stereo_Count	0
9885889	Rotatable_Bond_Count	2
5019	Hydrogen_Bond_Donor_Count	3
65773	Tautomer_Count	3
11466	TPSA	45.8
5462951	Defined_Bond_Stereo_Count	3
19437303	Structure_Complexity	80.2
20725980	Covalent_Unit_Count	1
10061651	Non-hydrogen_Atom_Count	17
122499	Defined_Atom_Stereo_Count	0
81141	XLogP3	2.2
6436605	Molecular_Weight	326.2
236702	Structure_Complexity	910
19082215	XLogP3-AA	3.3
7048801	Structure_Complexity	139
107502	Undefined_Bond_Stereo_Count	0
2512	Hydrogen_Bond_Acceptor_Count	4
16052039	Total_Formal_Charge	0
56959087	Non-hydrogen_Atom_Count	46
49869172	Undefined_Atom_Stereo_Count	1
5496539	Defined_Bond_Stereo_Count	0
83363	Mono_Isotopic_Weight	270.140850574
3081361	Undefined_Bond_Stereo_Count	0
2560481	Total_Formal_Charge	0
667497	Rotatable_Bond_Count	1
65775	Total_Formal_Charge	0
69829	Undefined_Bond_Stereo_Count	0
10402	Non-hydrogen_Atom_Count	12
4707	Mono_Isotopic_Weight	329.02761
243	XLogP3	1.9
101987	Rotatable_Bond_Count	4
11385	Mono_Isotopic_Weight	194.084398327
59503411	Exact_Mass	193.12745433
460621	Defined_Atom_Stereo_Count	8
136091	Defined_Bond_Stereo_Count	0
53321481	XLogP3-AA	3.1
36688137	Structure_Complexity	397
5311065	Rotatable_Bond_Count	19
89205570	Exact_Mass	111.068413911
140523	Covalent_Unit_Count	1
86289069	Hydrogen_Bond_Donor_Count	13
441308	Isotope_Atom_Count	0
12560	Structure_Complexity	1180
18713770	Molecular_Weight	100.12
130145397	Molecular_Weight	114.14
62369	Non-hydrogen_Atom_Count	20
33286	Non-hydrogen_Atom_Count	10
78422661	Hydrogen_Bond_Donor_Count	2
1367	Hydrogen_Bond_Acceptor_Count	3
12346042	Structure_Complexity	43.7
12537312	Mono_Isotopic_Weight	110.073164938
9960569	Hydrogen_Bond_Acceptor_Count	10
284	Tautomer_Count	1
70689387	Exact_Mass	477.19002103
68135832	Undefined_Bond_Stereo_Count	0
9797059	Molecular_Weight	318.30
119097350	Exact_Mass	96.057514874
67643	Non-hydrogen_Atom_Count	25
21893333	TPSA	29.1
47035	Rotatable_Bond_Count	4
5359620	Structure_Complexity	127
22304	Covalent_Unit_Count	2
124933	Defined_Atom_Stereo_Count	6
54105649	Defined_Bond_Stereo_Count	0
15406	Hydrogen_Bond_Donor_Count	1
10113978	Hydrogen_Bond_Acceptor_Count	8
15461303	Exact_Mass	359.04391352
50258	Exact_Mass	298.22564282
102213	Undefined_Atom_Stereo_Count	0
83904778	TPSA	26.3
44445686	Molecular_Weight	416.6
6683	Undefined_Bond_Stereo_Count	0
117186636	Covalent_Unit_Count	1
11355437	Isotope_Atom_Count	0
10311	Structure_Complexity	353
56843375	Rotatable_Bond_Count	60
45259044	Non-hydrogen_Atom_Count	36
123268	TPSA	40.1
91895934	Exact_Mass	560.27338086
13734208	Undefined_Bond_Stereo_Count	0
86467	Defined_Atom_Stereo_Count	0
25195346	Hydrogen_Bond_Donor_Count	3
12997	Tautomer_Count	1
476260	Undefined_Bond_Stereo_Count	0
54581777	Exact_Mass	401.09086372
3050433	Molecular_Weight	362.8
9421	Non-hydrogen_Atom_Count	28
87985965	Rotatable_Bond_Count	1
23622607	Undefined_Atom_Stereo_Count	0
19972	Hydrogen_Bond_Donor_Count	2
6887	Non-hydrogen_Atom_Count	15
41541	Defined_Bond_Stereo_Count	0
5282409	Structure_Complexity	386
107377	XLogP3-AA	4.5
21301831	Isotope_Atom_Count	0
20298886	Hydrogen_Bond_Donor_Count	0
18387331	Non-hydrogen_Atom_Count	7
9846875	Total_Formal_Charge	0
23138077	Undefined_Atom_Stereo_Count	0
5282165	TPSA	206
17309	Hydrogen_Bond_Donor_Count	0
54682461	Defined_Atom_Stereo_Count	2
752860	Structure_Complexity	391
16662	Undefined_Bond_Stereo_Count	0
17599	Rotatable_Bond_Count	0
107992	Mono_Isotopic_Weight	198.0672241
20470070	Structure_Complexity	156
57398166	Undefined_Bond_Stereo_Count	0
18314506	Non-hydrogen_Atom_Count	7
60767	Covalent_Unit_Count	2
220164	Covalent_Unit_Count	1
35023	Structure_Complexity	236
9815578	Exact_Mass	199.074561919
68890	TPSA	37.3
45006167	TPSA	74.6
2130404	Mono_Isotopic_Weight	433.0384821
135480785	Hydrogen_Bond_Donor_Count	7
67808	Rotatable_Bond_Count	1
14184	Defined_Atom_Stereo_Count	0
66491	Undefined_Bond_Stereo_Count	0
15816	Hydrogen_Bond_Donor_Count	2
20472034	Covalent_Unit_Count	1
104741	Undefined_Atom_Stereo_Count	1
17849680	Isotope_Atom_Count	0
78609	Rotatable_Bond_Count	10
11700183	Hydrogen_Bond_Donor_Count	5
94684	TPSA	12.5
66374	Covalent_Unit_Count	1
5037	Rotatable_Bond_Count	3
557256	Isotope_Atom_Count	0
9823775	Total_Formal_Charge	0
5485220	Non-hydrogen_Atom_Count	30
86256506	Structure_Complexity	87.7
3081907	Non-hydrogen_Atom_Count	73
14849721	Exact_Mass	116.131348519
21783	Hydrogen_Bond_Donor_Count	1
66456	Undefined_Atom_Stereo_Count	0
217634	Hydrogen_Bond_Acceptor_Count	2
13483161	Undefined_Atom_Stereo_Count	0
24699	Molecular_Weight	358.6
11801	Hydrogen_Bond_Donor_Count	0
354969	Mono_Isotopic_Weight	98.048012819
452110	Isotope_Atom_Count	0
9843941	Mono_Isotopic_Weight	400.19982200
11733	TPSA	0
236791	Hydrogen_Bond_Donor_Count	0
90472028	Undefined_Atom_Stereo_Count	4
60196314	Defined_Atom_Stereo_Count	1
12388	Hydrogen_Bond_Donor_Count	0
123611214	Rotatable_Bond_Count	0
24314	Covalent_Unit_Count	1
1918	Defined_Atom_Stereo_Count	0
520527	Defined_Bond_Stereo_Count	0
9568613	Non-hydrogen_Atom_Count	49
20793292	Hydrogen_Bond_Acceptor_Count	1
60848	Isotope_Atom_Count	0
68260833	TPSA	9.2
86240135	Defined_Atom_Stereo_Count	0
12602	Defined_Bond_Stereo_Count	0
20685	Defined_Bond_Stereo_Count	0
56928061	Undefined_Atom_Stereo_Count	1
22061628	Non-hydrogen_Atom_Count	8
9576410	Undefined_Bond_Stereo_Count	0
146089	Molecular_Weight	256.33
70623	Isotope_Atom_Count	0
3497	Non-hydrogen_Atom_Count	34
23727982	Defined_Atom_Stereo_Count	0
133640194	Defined_Atom_Stereo_Count	2
10200813	Mono_Isotopic_Weight	397.14378429
92023654	Molecular_Weight	665.7
139488	Isotope_Atom_Count	0
16051933	Rotatable_Bond_Count	19
349252	Hydrogen_Bond_Acceptor_Count	2
79437	Mono_Isotopic_Weight	210.07529019
37678	Total_Formal_Charge	0
123649851	Mono_Isotopic_Weight	101.084063974
11595431	XLogP3-AA	4.7
1009	Mono_Isotopic_Weight	720.01216123
131839562	Undefined_Atom_Stereo_Count	2
549097	Isotope_Atom_Count	0
44717198	Undefined_Bond_Stereo_Count	0
76654	Exact_Mass	168.0665554
57400037	Exact_Mass	434.05538
72950888	Exact_Mass	571.18312413
9903930	Defined_Bond_Stereo_Count	0
192160	TPSA	38.7
8333	Hydrogen_Bond_Acceptor_Count	2
66576988	Rotatable_Bond_Count	8
25271810	Hydrogen_Bond_Acceptor_Count	2
22323430	TPSA	76.7
1346	TPSA	24.5
10168	Total_Formal_Charge	0
13437467	Defined_Bond_Stereo_Count	0
11116690	Undefined_Bond_Stereo_Count	0
129891	Defined_Bond_Stereo_Count	0
70440	Covalent_Unit_Count	1
98431	Defined_Atom_Stereo_Count	0
63959	Structure_Complexity	596
12076	XLogP3	1.9
45120722	Isotope_Atom_Count	0
57417608	Undefined_Bond_Stereo_Count	0
5328791	Non-hydrogen_Atom_Count	14
66065	Non-hydrogen_Atom_Count	23
77014	Exact_Mass	233.93501
101626738	Undefined_Atom_Stereo_Count	0
98032	Molecular_Weight	238.28
439341	Defined_Atom_Stereo_Count	10
158638	Hydrogen_Bond_Acceptor_Count	5
12412244	Hydrogen_Bond_Donor_Count	1
20542700	Defined_Bond_Stereo_Count	0
52944340	Total_Formal_Charge	0
54436234	Hydrogen_Bond_Acceptor_Count	3
62529	Mono_Isotopic_Weight	192.162648646
135458645	Undefined_Bond_Stereo_Count	3
11471380	Undefined_Bond_Stereo_Count	0
79535	TPSA	20.2
97127	Structure_Complexity	290
12037	Mono_Isotopic_Weight	354.13617637
593919	TPSA	50.2
5281249	Structure_Complexity	740
4339626	Isotope_Atom_Count	0
3084014	Hydrogen_Bond_Donor_Count	4
20605384	Undefined_Bond_Stereo_Count	0
12673316	Covalent_Unit_Count	1
88344183	Defined_Bond_Stereo_Count	0
29831	Total_Formal_Charge	0
118218024	Structure_Complexity	1720
67444	Isotope_Atom_Count	0
130149197	Mono_Isotopic_Weight	110.073164938
67833251	Hydrogen_Bond_Donor_Count	0
5280757	Undefined_Bond_Stereo_Count	0
8216	Covalent_Unit_Count	1
2762819	Defined_Bond_Stereo_Count	0
54144657	Exact_Mass	97.089149355
704	Covalent_Unit_Count	1
88948	Covalent_Unit_Count	1
102697	Non-hydrogen_Atom_Count	23
79095	Rotatable_Bond_Count	1
10236	Exact_Mass	178.02660867
165879	Hydrogen_Bond_Donor_Count	2
82313	Covalent_Unit_Count	1
34515	Non-hydrogen_Atom_Count	24
14040	Molecular_Weight	128.25
5281065	Non-hydrogen_Atom_Count	60
11340940	Rotatable_Bond_Count	9
129638074	Non-hydrogen_Atom_Count	31
11655511	Structure_Complexity	732
11253490	Undefined_Bond_Stereo_Count	0
54095609	Undefined_Bond_Stereo_Count	0
88706	Molecular_Weight	318.71
41462	Hydrogen_Bond_Donor_Count	1
76223	Total_Formal_Charge	0
25167947	XLogP3-AA	4.7
22015260	Hydrogen_Bond_Donor_Count	0
118466088	Exact_Mass	108.032362755
23003869	Mono_Isotopic_Weight	112.088815002
9548661	TPSA	80.6
7191	Defined_Atom_Stereo_Count	0
587311	Isotope_Atom_Count	0
48305	Non-hydrogen_Atom_Count	27
101874073	Molecular_Weight	324.4
28048	XLogP3	2.7
25211988	Rotatable_Bond_Count	4
3081387	Non-hydrogen_Atom_Count	44
167659	Mono_Isotopic_Weight	171.9684641
71296969	Molecular_Weight	455.5
39929	Non-hydrogen_Atom_Count	17
194699	Covalent_Unit_Count	1
12636255	Hydrogen_Bond_Acceptor_Count	2
444451	Exact_Mass	717.00999
10220680	Molecular_Weight	254.69
17171354	TPSA	41.1
67233382	Undefined_Bond_Stereo_Count	0
15950	Hydrogen_Bond_Acceptor_Count	5
5635	Isotope_Atom_Count	0
156588466	Non-hydrogen_Atom_Count	44
3806	TPSA	54.4
763185	Covalent_Unit_Count	1
61988	Isotope_Atom_Count	0
5121662	Defined_Bond_Stereo_Count	0
67926	Defined_Atom_Stereo_Count	0
27503	Total_Formal_Charge	0
319771	Non-hydrogen_Atom_Count	7
616642	Isotope_Atom_Count	0
11472	Structure_Complexity	59.5
6386	TPSA	20.2
398737	Molecular_Weight	284.40
65309	Defined_Bond_Stereo_Count	0
53956489	Covalent_Unit_Count	1
146159225	Isotope_Atom_Count	0
135445165	Mono_Isotopic_Weight	411.14705815
14714356	TPSA	9.2
69640	Hydrogen_Bond_Donor_Count	2
3327	Undefined_Atom_Stereo_Count	0
146159812	TPSA	226
16115	Tautomer_Count	2
83008	Molecular_Weight	482.6
439378	Structure_Complexity	170
54586719	Undefined_Bond_Stereo_Count	0
72194	Covalent_Unit_Count	1
9327	Non-hydrogen_Atom_Count	46
6742	Defined_Atom_Stereo_Count	9
11115995	Undefined_Bond_Stereo_Count	0
3086674	Undefined_Bond_Stereo_Count	0
96380	Isotope_Atom_Count	0
69462	Hydrogen_Bond_Acceptor_Count	4
8815	Molecular_Weight	148.20
537906	Hydrogen_Bond_Donor_Count	1
123588530	Undefined_Atom_Stereo_Count	0
7742	Structure_Complexity	110
3114	Exact_Mass	339.231062557
130122059	XLogP3-AA	1
398678	Exact_Mass	425.1405288
53694406	Non-hydrogen_Atom_Count	7
10084648	XLogP3-AA	3.5
6713972	Covalent_Unit_Count	1
57396041	Undefined_Atom_Stereo_Count	0
70690020	Hydrogen_Bond_Acceptor_Count	5
5232201	Molecular_Weight	110.14
6549	XLogP3-AA	2.7
44154280	Defined_Bond_Stereo_Count	0
447569	Rotatable_Bond_Count	3
146158553	Isotope_Atom_Count	0
82938	Non-hydrogen_Atom_Count	3
48955	Hydrogen_Bond_Donor_Count	0
6858240	Undefined_Atom_Stereo_Count	0
74857	Tautomer_Count	1
163792693	Undefined_Bond_Stereo_Count	0
5726	Undefined_Bond_Stereo_Count	0
11560610	Non-hydrogen_Atom_Count	31
11672461	Defined_Atom_Stereo_Count	1
54692950	Covalent_Unit_Count	1
9084	Defined_Atom_Stereo_Count	0
222	Undefined_Bond_Stereo_Count	0
139080466	Rotatable_Bond_Count	3
16722836	Mono_Isotopic_Weight	524.25696021
547	Hydrogen_Bond_Donor_Count	3
91089431	Total_Formal_Charge	0
67284	XLogP3	2.1
68745	XLogP3-AA	5.1
5280608	Hydrogen_Bond_Donor_Count	2
21465770	Isotope_Atom_Count	0
7895	Undefined_Bond_Stereo_Count	0
612743	Defined_Atom_Stereo_Count	0
5792	Rotatable_Bond_Count	2
54063593	Total_Formal_Charge	0
124523547	Defined_Atom_Stereo_Count	9
5284	Rotatable_Bond_Count	3
11525116	Structure_Complexity	692
20259185	Rotatable_Bond_Count	0
18382065	Molecular_Weight	84.08
657298	Defined_Bond_Stereo_Count	0
69963	Hydrogen_Bond_Acceptor_Count	1
229126	Rotatable_Bond_Count	4
65013	Defined_Bond_Stereo_Count	0
4943	Isotope_Atom_Count	0
16449	XLogP3	4.6
61474	Exact_Mass	279.961024
17842471	XLogP3	2.9
80108693	Isotope_Atom_Count	0
493662	Isotope_Atom_Count	0
1548898	Defined_Bond_Stereo_Count	0
58775800	XLogP3-AA	0.1
118458	Rotatable_Bond_Count	0
5460700	Defined_Atom_Stereo_Count	0
657378	Hydrogen_Bond_Acceptor_Count	8
8723	Molecular_Weight	88.15
76957773	Isotope_Atom_Count	0
5281807	Mono_Isotopic_Weight	416.11073221
102402986	Hydrogen_Bond_Acceptor_Count	2
2495	Rotatable_Bond_Count	26
9826520	Undefined_Atom_Stereo_Count	0
54280	Molecular_Weight	214.27
154655788	Structure_Complexity	103
54704426	Structure_Complexity	971
645691	Undefined_Atom_Stereo_Count	0
11286483	Covalent_Unit_Count	1
20685	Exact_Mass	346.18273264
9255	Covalent_Unit_Count	1
139084136	Undefined_Atom_Stereo_Count	0
44260118	XLogP3-AA	3.7
6445562	Isotope_Atom_Count	0
445750	Mono_Isotopic_Weight	235.10558726
54298868	XLogP3-AA	1.3
167180	Undefined_Bond_Stereo_Count	0
718449	Exact_Mass	302.16304257
57400229	Non-hydrogen_Atom_Count	35
8282	Exact_Mass	119.094628657
24828759	Undefined_Atom_Stereo_Count	0
9249	Structure_Complexity	91.2
129845	Structure_Complexity	453
118596336	Molecular_Weight	545.5
528856	TPSA	75.9
62416539	Exact_Mass	110.084398327
44429837	Hydrogen_Bond_Donor_Count	9
449619	Covalent_Unit_Count	1
11569	Mono_Isotopic_Weight	136.052429494
441073	XLogP3	2.9
12384726	Mono_Isotopic_Weight	118.062994177
177323	Defined_Bond_Stereo_Count	0
88598	Isotope_Atom_Count	0
4227	XLogP3	3.5
139829	Non-hydrogen_Atom_Count	8
5371	Exact_Mass	430.34469533
6450807	Covalent_Unit_Count	1
10272953	TPSA	107
57756	Defined_Atom_Stereo_Count	0
376	Undefined_Bond_Stereo_Count	0
724045	Hydrogen_Bond_Acceptor_Count	4
94381	Rotatable_Bond_Count	4
13265823	Structure_Complexity	185
219704	Total_Formal_Charge	0
9795278	Undefined_Bond_Stereo_Count	0
8056	Rotatable_Bond_Count	3
827	Molecular_Weight	152.15
54586637	Undefined_Bond_Stereo_Count	0
80519	Undefined_Atom_Stereo_Count	0
890	Undefined_Bond_Stereo_Count	0
135471308	Covalent_Unit_Count	1
892	TPSA	121
44417326	Total_Formal_Charge	0
159199	Undefined_Bond_Stereo_Count	0
1291	Undefined_Atom_Stereo_Count	1
1201445	Undefined_Bond_Stereo_Count	0
398517	Exact_Mass	410.14126175
18603	Mono_Isotopic_Weight	243.87345
2723872	Mono_Isotopic_Weight	180.06338810
903069	Molecular_Weight	286.17
6328594	Non-hydrogen_Atom_Count	17
14535399	Defined_Atom_Stereo_Count	0
121396	Hydrogen_Bond_Acceptor_Count	5
6328526	Undefined_Atom_Stereo_Count	0
5955	XLogP3	1.1
79783	Undefined_Atom_Stereo_Count	0
27648	Structure_Complexity	383
89723675	Covalent_Unit_Count	1
7070	Tautomer_Count	1
10269854	Covalent_Unit_Count	1
69589310	Defined_Atom_Stereo_Count	0
20139920	Defined_Atom_Stereo_Count	0
68891	Undefined_Atom_Stereo_Count	0
5281794	Non-hydrogen_Atom_Count	20
44387934	Defined_Bond_Stereo_Count	0
38911	Defined_Atom_Stereo_Count	0
87929779	Total_Formal_Charge	0
653145	Total_Formal_Charge	0
67528035	Covalent_Unit_Count	1
4724	Non-hydrogen_Atom_Count	21
123613360	Mono_Isotopic_Weight	99.068413911
5284537	Defined_Bond_Stereo_Count	0
80421	Total_Formal_Charge	0
16735405	TPSA	284
3748774	Defined_Atom_Stereo_Count	0
11309	Mono_Isotopic_Weight	255.98876
595921	Tautomer_Count	1
71449988	Undefined_Atom_Stereo_Count	0
131411054	Hydrogen_Bond_Acceptor_Count	1
14529853	Total_Formal_Charge	0
9953943	Hydrogen_Bond_Donor_Count	3
143440	Rotatable_Bond_Count	3
9109	XLogP3-AA	4.9
937394	Defined_Bond_Stereo_Count	0
89374436	Defined_Atom_Stereo_Count	0
198243	Molecular_Weight	166.17
14309	Exact_Mass	341.010163
12699161	Hydrogen_Bond_Acceptor_Count	1
15983949	Rotatable_Bond_Count	12
98207156	Defined_Bond_Stereo_Count	0
23670770	Covalent_Unit_Count	2
6917951	Structure_Complexity	659
98442	Non-hydrogen_Atom_Count	17
436482	Hydrogen_Bond_Acceptor_Count	2
24706	Total_Formal_Charge	0
85693614	Non-hydrogen_Atom_Count	8
11475	Hydrogen_Bond_Acceptor_Count	1
74555	Hydrogen_Bond_Donor_Count	0
89578803	Total_Formal_Charge	0
21872002	Hydrogen_Bond_Acceptor_Count	2
98266	Exact_Mass	130.135765193
6321411	Molecular_Weight	453.5
11040652	Hydrogen_Bond_Donor_Count	0
11574	Hydrogen_Bond_Acceptor_Count	0
409438	Hydrogen_Bond_Donor_Count	1
13601830	Defined_Atom_Stereo_Count	0
137268	Defined_Bond_Stereo_Count	0
3965	Defined_Atom_Stereo_Count	0
62466	Tautomer_Count	2
10072851	Undefined_Atom_Stereo_Count	0
95269	TPSA	38.7
45214	Hydrogen_Bond_Donor_Count	1
1087331	Defined_Bond_Stereo_Count	0
73166591	Structure_Complexity	64.6
21022	Non-hydrogen_Atom_Count	35
12281	Hydrogen_Bond_Donor_Count	1
565635	Rotatable_Bond_Count	4
2792	Undefined_Atom_Stereo_Count	7
5372813	Undefined_Atom_Stereo_Count	0
60287	Hydrogen_Bond_Donor_Count	0
70680970	Molecular_Weight	472.5
11768526	Defined_Atom_Stereo_Count	0
699	Hydrogen_Bond_Acceptor_Count	5
124402108	Structure_Complexity	382
1028	Isotope_Atom_Count	0
9833984	TPSA	63.3
7777	Covalent_Unit_Count	1
23082568	Defined_Atom_Stereo_Count	0
44392087	Undefined_Atom_Stereo_Count	0
54714462	Undefined_Bond_Stereo_Count	0
24410	Non-hydrogen_Atom_Count	5
5287468	Total_Formal_Charge	0
636345	Covalent_Unit_Count	1
2734250	Structure_Complexity	259
25271781	Rotatable_Bond_Count	4
9810773	Covalent_Unit_Count	2
36667	Undefined_Atom_Stereo_Count	2
103565751	Exact_Mass	116.083729621
309734	Hydrogen_Bond_Acceptor_Count	1
5462814	Covalent_Unit_Count	1
13054843	Hydrogen_Bond_Donor_Count	0
4227123	Covalent_Unit_Count	1
10198055	Undefined_Bond_Stereo_Count	0
134129845	Hydrogen_Bond_Donor_Count	12
10447660	XLogP3-AA	2.8
10261060	Mono_Isotopic_Weight	108.057514874
66587017	Defined_Bond_Stereo_Count	0
62542	Undefined_Bond_Stereo_Count	0
8996	Structure_Complexity	343
5333	Defined_Bond_Stereo_Count	0
426409	Undefined_Atom_Stereo_Count	1
45380936	Structure_Complexity	598
129210	XLogP3-AA	2.7
54084075	Undefined_Atom_Stereo_Count	0
6538985	Total_Formal_Charge	0
11203	Undefined_Atom_Stereo_Count	0
18462872	TPSA	49.3
72523	TPSA	12
3367	Molecular_Weight	285.23
5250507	Exact_Mass	232.16745924
10819	Rotatable_Bond_Count	2
11667832	Non-hydrogen_Atom_Count	27
80554	Tautomer_Count	4
8490	Mono_Isotopic_Weight	222.03488193
702289	Molecular_Weight	225.70
572616	Structure_Complexity	72.9
642781	Covalent_Unit_Count	1
69498345	Defined_Bond_Stereo_Count	0
10271800	TPSA	86.5
166775	Hydrogen_Bond_Donor_Count	14
245562	Mono_Isotopic_Weight	152.047344113
118318030	Defined_Bond_Stereo_Count	0
135436497	Exact_Mass	560.97082745
61249	Undefined_Atom_Stereo_Count	1
85829	Defined_Bond_Stereo_Count	0
57404062	Hydrogen_Bond_Acceptor_Count	10
12021642	TPSA	35.8
230995	Undefined_Atom_Stereo_Count	0
22836366	Non-hydrogen_Atom_Count	12
98771	TPSA	41.1
5672	Undefined_Atom_Stereo_Count	8
87075443	Defined_Bond_Stereo_Count	0
57416910	XLogP3-AA	1
9799392	Total_Formal_Charge	0
3995	Structure_Complexity	320
16211072	Covalent_Unit_Count	2
101641111	Undefined_Atom_Stereo_Count	0
12635	Defined_Atom_Stereo_Count	0
7165	Structure_Complexity	126
53413800	XLogP3-AA	0.4
74483	Total_Formal_Charge	0
6363	XLogP3-AA	0.1
5492688	Rotatable_Bond_Count	6
11116043	Undefined_Atom_Stereo_Count	0
36192	Hydrogen_Bond_Acceptor_Count	2
12750	Rotatable_Bond_Count	0
86309268	Hydrogen_Bond_Acceptor_Count	7
11258643	Undefined_Bond_Stereo_Count	0
17779323	Non-hydrogen_Atom_Count	6
64628	Rotatable_Bond_Count	4
2797676	Undefined_Bond_Stereo_Count	0
59276	Covalent_Unit_Count	2
2386	Total_Formal_Charge	2
91826463	XLogP3	2.5
91168	TPSA	37.3
135565424	Exact_Mass	266.14528450
71577	Hydrogen_Bond_Donor_Count	0
138107	Exact_Mass	84.043596145
33353	Tautomer_Count	2
3031	Rotatable_Bond_Count	0
21770	Structure_Complexity	370
11644097	TPSA	93
8752	Isotope_Atom_Count	0
9889841	Molecular_Weight	448.0
53318409	Isotope_Atom_Count	0
6699	Rotatable_Bond_Count	4
5246258	Rotatable_Bond_Count	1
3611397	Tautomer_Count	1
4290	XLogP3	1
6839	Defined_Bond_Stereo_Count	0
23694217	Hydrogen_Bond_Donor_Count	2
7500	Total_Formal_Charge	0
23009	Exact_Mass	226.10659032
44134632	Tautomer_Count	1
2724247	Undefined_Bond_Stereo_Count	0
139080230	Structure_Complexity	593
529	TPSA	104
118978207	Hydrogen_Bond_Acceptor_Count	1
13000487	Structure_Complexity	0
547749	Structure_Complexity	82.4
197856	Tautomer_Count	15
51051629	Hydrogen_Bond_Donor_Count	3
23236224	Rotatable_Bond_Count	0
443873	Undefined_Atom_Stereo_Count	0
11339	Covalent_Unit_Count	1
47866	Mono_Isotopic_Weight	166.09669434
14325610	Isotope_Atom_Count	0
5401	XLogP3	1.4
20701649	Undefined_Atom_Stereo_Count	1
57398258	Defined_Bond_Stereo_Count	0
99416	Non-hydrogen_Atom_Count	19
4346	Rotatable_Bond_Count	10
54177139	Undefined_Atom_Stereo_Count	0
20433	Undefined_Atom_Stereo_Count	0
165339	Structure_Complexity	86.6
444837	Non-hydrogen_Atom_Count	63
441261	Structure_Complexity	615
53511	Hydrogen_Bond_Acceptor_Count	2
11377	Exact_Mass	144.068748264
87110	Exact_Mass	151.0188769
165457	Structure_Complexity	371
57545	Covalent_Unit_Count	1
11058021	Undefined_Atom_Stereo_Count	0
65272	Covalent_Unit_Count	1
80224	Undefined_Atom_Stereo_Count	0
5795340	Undefined_Bond_Stereo_Count	0
20782671	TPSA	9.2
25793	Non-hydrogen_Atom_Count	8
68365445	Defined_Bond_Stereo_Count	0
73707	Isotope_Atom_Count	0
7098663	Hydrogen_Bond_Donor_Count	5
12734	Defined_Atom_Stereo_Count	0
75306	Undefined_Atom_Stereo_Count	0
18432	Molecular_Weight	337.2
12207122	Undefined_Bond_Stereo_Count	0
3083585	Undefined_Atom_Stereo_Count	0
92210	Structure_Complexity	72.9
63403	Hydrogen_Bond_Donor_Count	0
96421	Total_Formal_Charge	0
49084	Isotope_Atom_Count	0
165151	Defined_Atom_Stereo_Count	2
82593536	Covalent_Unit_Count	1
11825335	Isotope_Atom_Count	0
897	Molecular_Weight	220.22
16212436	Molecular_Weight	565.6
7911	TPSA	86.2
3	Undefined_Atom_Stereo_Count	2
9961939	Mono_Isotopic_Weight	726.07603
263	Structure_Complexity	13.1
18601660	Rotatable_Bond_Count	4
11355992	Covalent_Unit_Count	1
119432	Structure_Complexity	0
162413	Undefined_Bond_Stereo_Count	0
153386900	Structure_Complexity	125
6432115	Hydrogen_Bond_Donor_Count	0
57863	Isotope_Atom_Count	0
57391320	Non-hydrogen_Atom_Count	32
58902739	Defined_Bond_Stereo_Count	0
9793714	Defined_Bond_Stereo_Count	0
11219835	XLogP3-AA	3.1
388029	Defined_Bond_Stereo_Count	0
5352771	Rotatable_Bond_Count	11
3055168	Exact_Mass	397.10962727
429342	Structure_Complexity	203
53886733	Hydrogen_Bond_Donor_Count	0
57401295	Hydrogen_Bond_Donor_Count	3
135398678	Undefined_Bond_Stereo_Count	0
39484	Defined_Atom_Stereo_Count	0
14970212	Rotatable_Bond_Count	0
55278707	Covalent_Unit_Count	1
47510	Covalent_Unit_Count	1
11698194	XLogP3-AA	6.2
156080	Undefined_Bond_Stereo_Count	0
73285	Total_Formal_Charge	0
16102853	Non-hydrogen_Atom_Count	36
54676884	Covalent_Unit_Count	1
33363	Mono_Isotopic_Weight	267.162314293
4032	Mono_Isotopic_Weight	167.167399674
2520	Undefined_Bond_Stereo_Count	0
23496	Exact_Mass	189.87999
433956	Defined_Atom_Stereo_Count	0
63935844	Mono_Isotopic_Weight	127.074561919
10483883	Covalent_Unit_Count	1
192706	Defined_Bond_Stereo_Count	0
16722836	Defined_Bond_Stereo_Count	0
56642133	Rotatable_Bond_Count	5
101445	Tautomer_Count	2
19596	Molecular_Weight	294.33
9961469	Undefined_Bond_Stereo_Count	0
27290	XLogP3-AA	0.6
76957520	Undefined_Atom_Stereo_Count	0
91280177	Isotope_Atom_Count	0
24866519	Molecular_Weight	453.9
551778	TPSA	51.2
68948183	Hydrogen_Bond_Donor_Count	1
20194949	Undefined_Bond_Stereo_Count	0
80906	Tautomer_Count	20
467804	Structure_Complexity	278
55285315	Defined_Bond_Stereo_Count	0
1004	Rotatable_Bond_Count	0
11173546	Covalent_Unit_Count	1
12350	TPSA	0
59383280	Molecular_Weight	180.16
9883149	Defined_Bond_Stereo_Count	0
9826528	Undefined_Bond_Stereo_Count	0
22112092	Non-hydrogen_Atom_Count	7
94630	Non-hydrogen_Atom_Count	5
11412863	Rotatable_Bond_Count	1
25716	Molecular_Weight	460.7
132596289	Defined_Bond_Stereo_Count	0
163548545	Covalent_Unit_Count	1
23599753	Non-hydrogen_Atom_Count	7
5232618	Isotope_Atom_Count	0
6713368	Defined_Bond_Stereo_Count	0
47725	Covalent_Unit_Count	1
4212	Defined_Bond_Stereo_Count	0
13925935	Undefined_Bond_Stereo_Count	0
9690105	Hydrogen_Bond_Acceptor_Count	14
75018	Undefined_Atom_Stereo_Count	0
53772109	Isotope_Atom_Count	0
38252	Non-hydrogen_Atom_Count	15
156212	Exact_Mass	310.930761
9814448	Tautomer_Count	2
178565	Tautomer_Count	4
11564	Isotope_Atom_Count	0
13155711	Molecular_Weight	99.09
117891679	Undefined_Atom_Stereo_Count	0
135413497	Mono_Isotopic_Weight	264.98507
649153	Rotatable_Bond_Count	10
5351197	Defined_Bond_Stereo_Count	1
53318420	Isotope_Atom_Count	0
75931	Exact_Mass	400.287849157
21702831	Undefined_Bond_Stereo_Count	0
25102936	Exact_Mass	426.13865659
23665731	Mono_Isotopic_Weight	512.05486891
71898	Structure_Complexity	250
443201	Hydrogen_Bond_Donor_Count	4
42539	Defined_Bond_Stereo_Count	0
17652	Non-hydrogen_Atom_Count	11
5281071	Rotatable_Bond_Count	5
73950789	Defined_Bond_Stereo_Count	0
83635304	Undefined_Bond_Stereo_Count	0
2723810	TPSA	40.1
11024312	Defined_Atom_Stereo_Count	8
43457	Undefined_Atom_Stereo_Count	0
49858374	Isotope_Atom_Count	0
66577443	Molecular_Weight	260.22
46782942	Mono_Isotopic_Weight	513.7957108
5282108	Mono_Isotopic_Weight	192.151415257
12921732	Hydrogen_Bond_Donor_Count	0
164522	Mono_Isotopic_Weight	388.1553704
23964	Undefined_Bond_Stereo_Count	0
101863	Tautomer_Count	1
11126361	Rotatable_Bond_Count	1
11552	Mono_Isotopic_Weight	86.073164938
277990	Undefined_Atom_Stereo_Count	0
610	TPSA	127
11062312	XLogP3-AA	1.1
11234351	Molecular_Weight	380.4
22639467	TPSA	67.2
10979337	Molecular_Weight	295.4
14852477	Mono_Isotopic_Weight	100.100048391
535022	Defined_Atom_Stereo_Count	0
19830152	Molecular_Weight	84.07
17078	TPSA	20.2
9577986	Mono_Isotopic_Weight	420.20088463
11974019	Defined_Bond_Stereo_Count	0
5939	Mono_Isotopic_Weight	101.07014524
15576830	TPSA	49.8
9548637	Rotatable_Bond_Count	8
143337	Molecular_Weight	284.48
135398578	Hydrogen_Bond_Acceptor_Count	17
14909248	Mono_Isotopic_Weight	114.104465066
1177	Non-hydrogen_Atom_Count	17
182951	Non-hydrogen_Atom_Count	26
124524515	Exact_Mass	342.11621151
22961298	Covalent_Unit_Count	1
129797954	Structure_Complexity	153
53860785	Undefined_Bond_Stereo_Count	0
25154200	Molecular_Weight	397.3
11647899	Structure_Complexity	679
442460	Non-hydrogen_Atom_Count	14
14069	Covalent_Unit_Count	1
18622366	Covalent_Unit_Count	1
13496871	Defined_Bond_Stereo_Count	0
254656	Covalent_Unit_Count	1
36816	Undefined_Bond_Stereo_Count	0
577126	TPSA	17.1
4919	TPSA	23.5
221292	Structure_Complexity	116
4727	Covalent_Unit_Count	1
439503	Defined_Atom_Stereo_Count	5
86380	Non-hydrogen_Atom_Count	14
38013	Hydrogen_Bond_Donor_Count	0
42840	Rotatable_Bond_Count	0
918602	Hydrogen_Bond_Donor_Count	1
4059	Mono_Isotopic_Weight	182.094294304
104805	Hydrogen_Bond_Acceptor_Count	6
61900360	Undefined_Bond_Stereo_Count	0
373077	Tautomer_Count	7
5446	Molecular_Weight	168.30
154266294	Isotope_Atom_Count	0
15529	Hydrogen_Bond_Acceptor_Count	3
11788287	Molecular_Weight	116.16
95438	Rotatable_Bond_Count	3
410806	Covalent_Unit_Count	3
11565	Rotatable_Bond_Count	0
827	Non-hydrogen_Atom_Count	10
87184	Defined_Bond_Stereo_Count	0
91250151	Non-hydrogen_Atom_Count	10
12494777	Exact_Mass	328.0614700
136888457	XLogP3-AA	3.6
439280	Rotatable_Bond_Count	3
136257761	Structure_Complexity	258
23116021	Exact_Mass	144.138839198
72092	Structure_Complexity	600
43507	Covalent_Unit_Count	1
5365552	XLogP3-AA	2.4
446127	Undefined_Atom_Stereo_Count	0
398678	Defined_Atom_Stereo_Count	1
12774540	XLogP3-AA	1
70690636	Non-hydrogen_Atom_Count	29
3727	Total_Formal_Charge	0
206347	Hydrogen_Bond_Donor_Count	14
24955007	Mono_Isotopic_Weight	566.1586568
15325996	Exact_Mass	95.037113783
675	Hydrogen_Bond_Donor_Count	1
80395	Undefined_Atom_Stereo_Count	0
30323	Mono_Isotopic_Weight	527.17914612
126969097	Undefined_Bond_Stereo_Count	2
21836527	Hydrogen_Bond_Acceptor_Count	3
76658	Non-hydrogen_Atom_Count	13
19067730	Rotatable_Bond_Count	1
59227	Exact_Mass	315.16568559
111026	Structure_Complexity	27.1
117217480	Defined_Bond_Stereo_Count	0
105056	Exact_Mass	277.14780704
165105	Structure_Complexity	181
136507	Mono_Isotopic_Weight	108.057514874
22023476	Structure_Complexity	54.5
20034086	Undefined_Bond_Stereo_Count	0
15736732	Defined_Atom_Stereo_Count	7
44017	Hydrogen_Bond_Donor_Count	1
21617691	Structure_Complexity	118
107243	Hydrogen_Bond_Acceptor_Count	2
656495	Exact_Mass	457.15841068
9081	Covalent_Unit_Count	1
75806	Molecular_Weight	280.4
38904	Hydrogen_Bond_Donor_Count	4
135424747	Defined_Bond_Stereo_Count	0
9802865	Exact_Mass	432.25118886
72978296	Undefined_Bond_Stereo_Count	0
11674455	Undefined_Bond_Stereo_Count	0
78383862	Defined_Atom_Stereo_Count	0
16249	Isotope_Atom_Count	0
23090608	Hydrogen_Bond_Acceptor_Count	2
126941	Structure_Complexity	704
5281067	Covalent_Unit_Count	2
9797661	XLogP3-AA	3.7
11354606	Structure_Complexity	1380
141828087	Covalent_Unit_Count	1
2724951	TPSA	58.2
88983603	Non-hydrogen_Atom_Count	7
9821941	Hydrogen_Bond_Acceptor_Count	5
4261	XLogP3-AA	2
676041	Exact_Mass	219.125928785
13927379	Covalent_Unit_Count	1
11765960	Defined_Bond_Stereo_Count	0
14284	Defined_Atom_Stereo_Count	0
27058	Hydrogen_Bond_Acceptor_Count	5
197	Structure_Complexity	638
6184	Covalent_Unit_Count	1
16097	Hydrogen_Bond_Acceptor_Count	4
153655135	Isotope_Atom_Count	0
16065390	Exact_Mass	444.15076381
75530159	Rotatable_Bond_Count	0
2724	Total_Formal_Charge	0
20270668	Exact_Mass	112.088815002
21719984	Exact_Mass	116.083729621
77574	Molecular_Weight	303.44
10430450	Structure_Complexity	566
12660241	TPSA	37.4
52949543	Total_Formal_Charge	0
93012	Hydrogen_Bond_Donor_Count	1
154574010	Non-hydrogen_Atom_Count	17
16734	Tautomer_Count	1
117126701	Defined_Bond_Stereo_Count	0
26799	Non-hydrogen_Atom_Count	21
20691	Hydrogen_Bond_Donor_Count	0
91971505	Defined_Atom_Stereo_Count	7
13715986	Total_Formal_Charge	0
69007	Mono_Isotopic_Weight	304.11581759
5209985	Mono_Isotopic_Weight	244.09602564
11539725	Covalent_Unit_Count	1
65108	Defined_Atom_Stereo_Count	0
84647611	Defined_Bond_Stereo_Count	0
11957684	Isotope_Atom_Count	0
16131300	Hydrogen_Bond_Acceptor_Count	46
3532561	Undefined_Atom_Stereo_Count	0
653145	Exact_Mass	320.15362070
19768867	Isotope_Atom_Count	0
9187	Defined_Atom_Stereo_Count	0
5478	Tautomer_Count	1
65814	Hydrogen_Bond_Donor_Count	2
16683028	Structure_Complexity	509
20472042	Total_Formal_Charge	0
85325038	Undefined_Atom_Stereo_Count	2
20194	Structure_Complexity	494
783	Exact_Mass	2.0156500638
179336	Rotatable_Bond_Count	0
10024	Defined_Atom_Stereo_Count	0
12717	Molecular_Weight	119.08
54584753	Undefined_Bond_Stereo_Count	0
9574962	Isotope_Atom_Count	0
68745835	Hydrogen_Bond_Acceptor_Count	1
219081	Rotatable_Bond_Count	5
5879967	Defined_Bond_Stereo_Count	1
66708587	TPSA	50
11477651	Undefined_Atom_Stereo_Count	0
21414	Undefined_Bond_Stereo_Count	0
14644523	Defined_Atom_Stereo_Count	0
88169351	Exact_Mass	320.07820726
48199	Hydrogen_Bond_Donor_Count	1
134687781	Structure_Complexity	1480
3097	Covalent_Unit_Count	1
7833	Undefined_Bond_Stereo_Count	0
134694392	Defined_Atom_Stereo_Count	4
22967002	Non-hydrogen_Atom_Count	7
11643980	Structure_Complexity	72
129630227	Mono_Isotopic_Weight	7340.9926854
45280821	Covalent_Unit_Count	1
25127621	Defined_Bond_Stereo_Count	0
98051216	Hydrogen_Bond_Donor_Count	0
8540	Rotatable_Bond_Count	1
6399253	Isotope_Atom_Count	0
854019	Covalent_Unit_Count	1
73461	Structure_Complexity	905
991	TPSA	106
115001	Undefined_Atom_Stereo_Count	0
191101	Undefined_Bond_Stereo_Count	0
11573	TPSA	0
5591	Undefined_Atom_Stereo_Count	2
21651660	Defined_Atom_Stereo_Count	0
12120	Structure_Complexity	95.3
54732122	TPSA	83.8
9469	Mono_Isotopic_Weight	250.0872908
79813	Non-hydrogen_Atom_Count	13
701841	Mono_Isotopic_Weight	321.11471265
877	Defined_Bond_Stereo_Count	0
57336523	Defined_Atom_Stereo_Count	6
63085159	XLogP3-AA	0.5
54675757	Hydrogen_Bond_Acceptor_Count	3
23545554	Isotope_Atom_Count	0
129737769	Isotope_Atom_Count	0
45139106	Hydrogen_Bond_Acceptor_Count	8
72950888	Hydrogen_Bond_Acceptor_Count	10
73714	Molecular_Weight	82.14
21701560	Mono_Isotopic_Weight	331.0723690
142798	Total_Formal_Charge	0
12508258	Total_Formal_Charge	0
68014	Hydrogen_Bond_Acceptor_Count	4
2723810	Tautomer_Count	1
102491	Defined_Atom_Stereo_Count	0
5266	Molecular_Weight	843.1
67502	Undefined_Bond_Stereo_Count	0
53787407	Structure_Complexity	65.1
10931397	TPSA	34.5
92123	Structure_Complexity	353
23335962	Defined_Atom_Stereo_Count	0
65802	XLogP3-AA	1
14294229	Total_Formal_Charge	0
136219155	Hydrogen_Bond_Acceptor_Count	4
12669677	Defined_Atom_Stereo_Count	6
6992020	Undefined_Atom_Stereo_Count	0
71776101	Covalent_Unit_Count	1
115358	Hydrogen_Bond_Acceptor_Count	9
3392	Hydrogen_Bond_Donor_Count	2
63996	Molecular_Weight	308.3
36890	Mono_Isotopic_Weight	371.14812078
7407	Isotope_Atom_Count	0
29761	Undefined_Bond_Stereo_Count	0
107950	Structure_Complexity	349
9793703	Exact_Mass	98.059246208
37720	Covalent_Unit_Count	1
8401	XLogP3	3.3
18616	Mono_Isotopic_Weight	186.905233
18720	Isotope_Atom_Count	0
122222714	Hydrogen_Bond_Donor_Count	1
91231076	Non-hydrogen_Atom_Count	8
5586	Hydrogen_Bond_Donor_Count	2
12210512	Defined_Bond_Stereo_Count	0
32315	Total_Formal_Charge	0
11332430	Isotope_Atom_Count	0
11441554	Molecular_Weight	420.5
57301906	Exact_Mass	114.031694049
75714	Isotope_Atom_Count	0
89990643	Undefined_Bond_Stereo_Count	0
72076	Undefined_Atom_Stereo_Count	0
53701	Total_Formal_Charge	0
160154	Hydrogen_Bond_Acceptor_Count	3
19350299	Rotatable_Bond_Count	3
6626	Undefined_Atom_Stereo_Count	0
13814	XLogP3-AA	3.1
78968	Non-hydrogen_Atom_Count	6
58504	Rotatable_Bond_Count	8
75151	Hydrogen_Bond_Donor_Count	0
6433396	Molecular_Weight	251.15
77405	Covalent_Unit_Count	1
150901	Isotope_Atom_Count	0
447877	Molecular_Weight	937.8
12634653	Hydrogen_Bond_Acceptor_Count	0
199605	Mono_Isotopic_Weight	187.136099547
6428543	Rotatable_Bond_Count	5
49290	Rotatable_Bond_Count	5
12394845	Mono_Isotopic_Weight	108.093900383
571736	Non-hydrogen_Atom_Count	8
44160137	Defined_Atom_Stereo_Count	0
71253	Hydrogen_Bond_Acceptor_Count	7
68651	Defined_Atom_Stereo_Count	0
23689980	Exact_Mass	117.97005941
14168316	TPSA	75.8
601880	Non-hydrogen_Atom_Count	13
25254	Molecular_Weight	151.04
54583840	Total_Formal_Charge	0
729483	Undefined_Atom_Stereo_Count	0
69705	Isotope_Atom_Count	0
71450115	Hydrogen_Bond_Donor_Count	2
60961	Rotatable_Bond_Count	2
120269	Isotope_Atom_Count	0
134694738	Defined_Atom_Stereo_Count	2
7848	Hydrogen_Bond_Donor_Count	1
545809	Non-hydrogen_Atom_Count	14
47517	Non-hydrogen_Atom_Count	18
11773	Non-hydrogen_Atom_Count	19
123558404	Hydrogen_Bond_Donor_Count	0
1060	Hydrogen_Bond_Acceptor_Count	3
49869173	Total_Formal_Charge	0
71484	Tautomer_Count	1001
23276065	Exact_Mass	362.0144595
1072	Isotope_Atom_Count	0
6477182	Undefined_Bond_Stereo_Count	0
5289024	Covalent_Unit_Count	1
448051	Hydrogen_Bond_Acceptor_Count	6
163460608	Structure_Complexity	72.9
57656232	Non-hydrogen_Atom_Count	7
10455790	Structure_Complexity	818
71624345	Defined_Bond_Stereo_Count	0
81045	Undefined_Bond_Stereo_Count	0
218024	Isotope_Atom_Count	0
12084878	Defined_Atom_Stereo_Count	0
11808	Non-hydrogen_Atom_Count	14
58550573	Undefined_Atom_Stereo_Count	0
524829	Exact_Mass	102.068079557
22022770	Undefined_Atom_Stereo_Count	1
19709	TPSA	26
44134877	Total_Formal_Charge	0
32262	Exact_Mass	195.9861970
53384398	Rotatable_Bond_Count	12
12872197	Structure_Complexity	96.3
22125	Rotatable_Bond_Count	0
93536	Total_Formal_Charge	0
21827	Molecular_Weight	86.13
18980946	Structure_Complexity	91.9
101561	Covalent_Unit_Count	1
108312	Molecular_Weight	178.27
138517092	Defined_Bond_Stereo_Count	0
71584162	Rotatable_Bond_Count	5
9786	Mono_Isotopic_Weight	370.017981
20561708	Mono_Isotopic_Weight	97.027611728
5282182	Undefined_Atom_Stereo_Count	0
125286695	Covalent_Unit_Count	1
78170	Defined_Bond_Stereo_Count	0
72149	Undefined_Atom_Stereo_Count	0
67535	Non-hydrogen_Atom_Count	14
119391	XLogP3-AA	0.4
5362712	Total_Formal_Charge	0
72521	Tautomer_Count	15
12705074	Covalent_Unit_Count	1
75577315	Mono_Isotopic_Weight	116.047344113
7579	Total_Formal_Charge	0
4921	Tautomer_Count	2
62583	Defined_Bond_Stereo_Count	0
44345188	Defined_Atom_Stereo_Count	0
85774202	XLogP3-AA	2.5
251513	Defined_Atom_Stereo_Count	0
9943908	Undefined_Bond_Stereo_Count	0
21893417	Defined_Atom_Stereo_Count	0
56638112	Defined_Atom_Stereo_Count	0
92321	Total_Formal_Charge	0
5311504	Exact_Mass	428.23514488
33728341	Mono_Isotopic_Weight	113.058911855
163468867	Non-hydrogen_Atom_Count	8
122608345	Total_Formal_Charge	0
2249	Non-hydrogen_Atom_Count	19
5280954	Tautomer_Count	1
68210	Hydrogen_Bond_Donor_Count	1
88318	Total_Formal_Charge	0
107918	Mono_Isotopic_Weight	1005.16812503
28026	Defined_Atom_Stereo_Count	0
12218316	Defined_Atom_Stereo_Count	2
54283855	Isotope_Atom_Count	0
6632	Undefined_Atom_Stereo_Count	2
11271640	Non-hydrogen_Atom_Count	28
21219660	Structure_Complexity	52.1
65600	Mono_Isotopic_Weight	293.177964357
58071	Covalent_Unit_Count	1
93558	Undefined_Atom_Stereo_Count	0
54224045	Isotope_Atom_Count	0
71530	Structure_Complexity	294
6328144	Hydrogen_Bond_Acceptor_Count	0
11621437	Mono_Isotopic_Weight	615.18616351
11659487	Molecular_Weight	304.4
12707110	Rotatable_Bond_Count	0
50914976	Defined_Atom_Stereo_Count	0
9952193	Total_Formal_Charge	0
115158	Defined_Bond_Stereo_Count	0
2546	Covalent_Unit_Count	1
90315	Defined_Bond_Stereo_Count	0
10801933	Undefined_Bond_Stereo_Count	0
516919	Undefined_Bond_Stereo_Count	0
150736	Undefined_Bond_Stereo_Count	0
6604495	Defined_Bond_Stereo_Count	0
1140	Exact_Mass	92.062600255
4205687	Structure_Complexity	57.5
243556	Undefined_Bond_Stereo_Count	0
24868286	Hydrogen_Bond_Donor_Count	2
73001175	Total_Formal_Charge	0
7791	Hydrogen_Bond_Donor_Count	1
151172	TPSA	124
60527	Total_Formal_Charge	0
15277	Undefined_Atom_Stereo_Count	0
11508924	Structure_Complexity	499
18766735	Isotope_Atom_Count	0
9931	Hydrogen_Bond_Donor_Count	0
116	Defined_Bond_Stereo_Count	0
66374	Hydrogen_Bond_Donor_Count	0
83465	Molecular_Weight	221.17
71462389	Isotope_Atom_Count	0
44338970	Defined_Bond_Stereo_Count	0
11522448	Isotope_Atom_Count	0
118052411	Hydrogen_Bond_Donor_Count	8
449107	Isotope_Atom_Count	0
69	Total_Formal_Charge	0
20352	Undefined_Bond_Stereo_Count	0
3040551	Isotope_Atom_Count	0
3263	Defined_Atom_Stereo_Count	0
1630	Defined_Atom_Stereo_Count	0
165609608	Defined_Atom_Stereo_Count	0
13968540	Structure_Complexity	74.2
6454774	Total_Formal_Charge	0
60196362	TPSA	106
8140	XLogP3	4.9
529277	Hydrogen_Bond_Acceptor_Count	0
4298216	TPSA	0
57469	Undefined_Atom_Stereo_Count	0
612055	Hydrogen_Bond_Acceptor_Count	5
3874	Defined_Atom_Stereo_Count	0
12682	Non-hydrogen_Atom_Count	9
5364361	TPSA	0
14298876	Hydrogen_Bond_Acceptor_Count	2
1918	Mono_Isotopic_Weight	814.18368448
92053	Hydrogen_Bond_Donor_Count	1
5280804	Hydrogen_Bond_Donor_Count	8
46174141	Defined_Bond_Stereo_Count	1
5748733	Hydrogen_Bond_Acceptor_Count	6
3813	XLogP3-AA	2.8
3694570	Rotatable_Bond_Count	7
160	XLogP3	2.7
87291665	Total_Formal_Charge	0
16020006	Undefined_Bond_Stereo_Count	0
26089	Hydrogen_Bond_Acceptor_Count	4
17244	Hydrogen_Bond_Donor_Count	0
11261	Rotatable_Bond_Count	2
2106897	Molecular_Weight	110.16
575734	Undefined_Atom_Stereo_Count	0
8314	Total_Formal_Charge	0
68943	Molecular_Weight	291.4
107202	Exact_Mass	166.062994177
21537133	Rotatable_Bond_Count	3
3647	Undefined_Bond_Stereo_Count	0
146159824	Undefined_Bond_Stereo_Count	0
6364	Total_Formal_Charge	0
14103059	Covalent_Unit_Count	3
234237	Isotope_Atom_Count	0
73200935	Isotope_Atom_Count	0
13810472	Hydrogen_Bond_Acceptor_Count	1
2455	Total_Formal_Charge	0
67513158	TPSA	26.3
572852	Undefined_Atom_Stereo_Count	0
22878123	Mono_Isotopic_Weight	292.18858861
44139752	Undefined_Bond_Stereo_Count	0
657289	Hydrogen_Bond_Acceptor_Count	16
93301	Total_Formal_Charge	0
45484175	Structure_Complexity	638
13040869	Rotatable_Bond_Count	1
6293	Mono_Isotopic_Weight	240.04225873
839099	Hydrogen_Bond_Acceptor_Count	4
44596	Hydrogen_Bond_Acceptor_Count	1
21322859	Undefined_Atom_Stereo_Count	0
124226575	Hydrogen_Bond_Donor_Count	7
3047798	Covalent_Unit_Count	1
3114	Isotope_Atom_Count	0
4888	Mono_Isotopic_Weight	255.08954328
1549097	Mono_Isotopic_Weight	152.00175385
139256539	Undefined_Bond_Stereo_Count	0
2083	Isotope_Atom_Count	0
59059061	TPSA	38.7
4219798	Molecular_Weight	289.31
13795013	Hydrogen_Bond_Donor_Count	2
97120	Undefined_Bond_Stereo_Count	0
14926954	Hydrogen_Bond_Donor_Count	3
135415564	Exact_Mass	846.44150881
16186010	Defined_Bond_Stereo_Count	0
7207	Isotope_Atom_Count	0
17607	Non-hydrogen_Atom_Count	5
116842112	Hydrogen_Bond_Acceptor_Count	1
274426	Rotatable_Bond_Count	0
6327657	Structure_Complexity	207
16212939	Covalent_Unit_Count	4
15202942	Covalent_Unit_Count	1
7090	Hydrogen_Bond_Acceptor_Count	2
2724259	Exact_Mass	1122.78526064
19108211	Isotope_Atom_Count	0
12884652	Covalent_Unit_Count	1
81767	XLogP3-AA	0.4
9920377	TPSA	41.1
74745	Covalent_Unit_Count	2
23282942	Total_Formal_Charge	0
46173017	Defined_Atom_Stereo_Count	0
118210311	Non-hydrogen_Atom_Count	8
96306	Rotatable_Bond_Count	3
11171	Hydrogen_Bond_Acceptor_Count	7
85335	XLogP3-AA	1.6
42254	Exact_Mass	481.16964407
18055	Structure_Complexity	102
148763531	Mono_Isotopic_Weight	107.048347172
162908	Mono_Isotopic_Weight	372.208930132
7678	Covalent_Unit_Count	1
22386	Covalent_Unit_Count	1
676242	XLogP3-AA	3.1
12701401	TPSA	17.1
104954	Molecular_Weight	240.26
24838350	Undefined_Atom_Stereo_Count	1
3312	XLogP3-AA	6.8
13374320	Defined_Atom_Stereo_Count	0
24848483	Covalent_Unit_Count	1
85294873	Hydrogen_Bond_Acceptor_Count	2
7146	Isotope_Atom_Count	0
5826113	Undefined_Atom_Stereo_Count	0
21805682	Isotope_Atom_Count	0
6489	XLogP3	2.3
47640	Hydrogen_Bond_Acceptor_Count	1
12865500	Molecular_Weight	116.16
53627428	Structure_Complexity	607
2914	Molecular_Weight	416.9
68490094	Defined_Atom_Stereo_Count	0
15427	TPSA	12.4
74266	TPSA	71.1
1018	Total_Formal_Charge	0
2250	XLogP3-AA	5
129642209	Mono_Isotopic_Weight	513.2645865
3216	Rotatable_Bond_Count	38
8948	Hydrogen_Bond_Acceptor_Count	3
47297	Defined_Atom_Stereo_Count	0
104607	TPSA	44.4
5881176	Mono_Isotopic_Weight	1062.1330477
6438150	Molecular_Weight	418.5
3734	Tautomer_Count	15
135449332	Covalent_Unit_Count	1
5320191	Molecular_Weight	140.22
119435	Rotatable_Bond_Count	3
168381	Defined_Atom_Stereo_Count	1
164486	Structure_Complexity	248
11614934	Isotope_Atom_Count	0
71225	Undefined_Bond_Stereo_Count	0
12097317	Exact_Mass	196.146329876
7560	Covalent_Unit_Count	1
59034276	Non-hydrogen_Atom_Count	12
208880	Hydrogen_Bond_Donor_Count	1
45511	Total_Formal_Charge	0
25435	Defined_Atom_Stereo_Count	0
13668	Hydrogen_Bond_Donor_Count	3
44449087	Hydrogen_Bond_Acceptor_Count	11
598760	Defined_Bond_Stereo_Count	0
1	Covalent_Unit_Count	1
3083542	Exact_Mass	400.26135963
12521030	Non-hydrogen_Atom_Count	12
163677749	TPSA	20.3
13529	Undefined_Atom_Stereo_Count	0
129893322	Total_Formal_Charge	0
100957201	Hydrogen_Bond_Acceptor_Count	1
4048	Undefined_Atom_Stereo_Count	6
71454	Structure_Complexity	380
20498	Undefined_Bond_Stereo_Count	0
9803119	Isotope_Atom_Count	0
5382	Tautomer_Count	1
188219	Molecular_Weight	611.5
70377524	Defined_Atom_Stereo_Count	0
147315772	Exact_Mass	112.063662883
25058183	Molecular_Weight	371.3
604767	Mono_Isotopic_Weight	244.08644602
132095682	Defined_Bond_Stereo_Count	0
118052411	TPSA	190
12278548	Defined_Bond_Stereo_Count	0
2250	TPSA	112
639102	Defined_Atom_Stereo_Count	0
73755062	Undefined_Bond_Stereo_Count	0
26330	Defined_Bond_Stereo_Count	0
49787001	Molecular_Weight	446.4
181511	Isotope_Atom_Count	0
126961757	Exact_Mass	154.135765193
131750204	Non-hydrogen_Atom_Count	39
971	Molecular_Weight	90.03
86764	Exact_Mass	202.12050905
17890710	Hydrogen_Bond_Donor_Count	1
129677105	Covalent_Unit_Count	1
134826477	Molecular_Weight	765.5
69340938	Defined_Atom_Stereo_Count	0
446715	Non-hydrogen_Atom_Count	66
71273	Exact_Mass	274.204513457
11612445	Undefined_Bond_Stereo_Count	0
9917	Undefined_Atom_Stereo_Count	0
12648201	TPSA	40.5
9297	Undefined_Bond_Stereo_Count	0
68940	Non-hydrogen_Atom_Count	27
5104	Mono_Isotopic_Weight	262.941106
18506394	XLogP3-AA	0.6
12743455	Structure_Complexity	163
1550823	Total_Formal_Charge	0
16759173	Molecular_Weight	446.5
667450	Total_Formal_Charge	0
14640738	Rotatable_Bond_Count	0
34789	TPSA	12.5
138397	Mono_Isotopic_Weight	98.048012819
40473166	Covalent_Unit_Count	1
101992406	XLogP3-AA	1.2
4178022	Isotope_Atom_Count	0
164116	Undefined_Bond_Stereo_Count	0
69301022	Isotope_Atom_Count	0
452521	Non-hydrogen_Atom_Count	31
65700	Covalent_Unit_Count	1
12401	Hydrogen_Bond_Donor_Count	0
11409499	Non-hydrogen_Atom_Count	33
1424	Hydrogen_Bond_Donor_Count	2
6420074	Tautomer_Count	2
28951015	Undefined_Bond_Stereo_Count	0
11431912	Exact_Mass	495.26208790
16224058	Defined_Atom_Stereo_Count	0
12642	Total_Formal_Charge	0
20216719	Defined_Atom_Stereo_Count	0
11431811	Total_Formal_Charge	0
10219398	Total_Formal_Charge	0
3500	Hydrogen_Bond_Acceptor_Count	5
23677058	Structure_Complexity	384
93009	Molecular_Weight	196.29
62268760	Covalent_Unit_Count	1
713762	Undefined_Atom_Stereo_Count	0
17995361	Hydrogen_Bond_Donor_Count	0
9464	Molecular_Weight	203.21
90227	Non-hydrogen_Atom_Count	27
39164	XLogP3-AA	4.2
9765	Undefined_Atom_Stereo_Count	0
68739990	Undefined_Atom_Stereo_Count	0
9837419	Defined_Bond_Stereo_Count	0
5288615	Molecular_Weight	398.5
102444474	Covalent_Unit_Count	1
137295261	Covalent_Unit_Count	1
6537488	Mono_Isotopic_Weight	199.04807239
85828788	Isotope_Atom_Count	0
10162742	Hydrogen_Bond_Donor_Count	2
15311935	Covalent_Unit_Count	1
25469	Total_Formal_Charge	0
104748	Structure_Complexity	24.8
11480402	Undefined_Atom_Stereo_Count	0
91116427	Undefined_Atom_Stereo_Count	0
91148	Total_Formal_Charge	0
138757296	Exact_Mass	105.032697108
8364	Structure_Complexity	240
146156358	Defined_Bond_Stereo_Count	0
13474789	Defined_Atom_Stereo_Count	0
84063981	Mono_Isotopic_Weight	111.068413911
83517	Mono_Isotopic_Weight	487.49806
71458868	Total_Formal_Charge	0
66992840	Undefined_Bond_Stereo_Count	0
20070697	Exact_Mass	110.048012819
125183302	Rotatable_Bond_Count	13
118008485	Isotope_Atom_Count	0
92043102	Covalent_Unit_Count	1
69222	Molecular_Weight	88.15
58125082	Covalent_Unit_Count	1
10329946	Exact_Mass	181.06674293
71306720	TPSA	356
13117013	Covalent_Unit_Count	1
439647	Total_Formal_Charge	0
36744	Total_Formal_Charge	0
43858	Defined_Bond_Stereo_Count	0
25245167	Rotatable_Bond_Count	2
2763054	XLogP3-AA	8.5
21865270	Hydrogen_Bond_Acceptor_Count	2
52159	Tautomer_Count	2
9001	Structure_Complexity	413
77323	Defined_Atom_Stereo_Count	0
5288453	Isotope_Atom_Count	0
84682	Isotope_Atom_Count	0
71743736	Undefined_Atom_Stereo_Count	1
59116084	TPSA	90.2
122198135	Structure_Complexity	987
77574	Isotope_Atom_Count	0
5358902	Hydrogen_Bond_Donor_Count	1
12957	Defined_Bond_Stereo_Count	0
24550	Rotatable_Bond_Count	0
20250	Molecular_Weight	223.5
4694097	Undefined_Bond_Stereo_Count	0
7732	Hydrogen_Bond_Acceptor_Count	2
5460221	XLogP3-AA	7.9
8600	Exact_Mass	270.07395278
20722789	Covalent_Unit_Count	1
395450	Rotatable_Bond_Count	5
83322	Undefined_Bond_Stereo_Count	0
29778	Rotatable_Bond_Count	4
3023	Undefined_Bond_Stereo_Count	0
5231297	Molecular_Weight	337.4
73895182	Mono_Isotopic_Weight	315.04913502
77843966	Defined_Atom_Stereo_Count	2
10400	Covalent_Unit_Count	1
55261	Undefined_Atom_Stereo_Count	0
83528703	Defined_Bond_Stereo_Count	0
23187765	Covalent_Unit_Count	1
22834577	Molecular_Weight	3464.0
6674	XLogP3-AA	2.6
171075	Exact_Mass	244.0767261
6419708	Molecular_Weight	300.4
60702533	Non-hydrogen_Atom_Count	7
155560570	Total_Formal_Charge	0
2723785	Hydrogen_Bond_Acceptor_Count	1
77430	Covalent_Unit_Count	1
449284	Non-hydrogen_Atom_Count	29
68236666	Mono_Isotopic_Weight	100.100048391
62354	Exact_Mass	620.28327683
4680	Structure_Complexity	407
74561	TPSA	54.7
6443717	Molecular_Weight	98.10
134755071	Undefined_Bond_Stereo_Count	0
25113190	Covalent_Unit_Count	1
28858	Defined_Atom_Stereo_Count	0
70589	Non-hydrogen_Atom_Count	25
24848382	Mono_Isotopic_Weight	152.107539070
100934359	Structure_Complexity	96.4
14899645	Isotope_Atom_Count	0
68324677	Defined_Atom_Stereo_Count	1
981362	Hydrogen_Bond_Donor_Count	2
14410	Isotope_Atom_Count	0
70730	Hydrogen_Bond_Acceptor_Count	1
11494412	Undefined_Atom_Stereo_Count	0
12202794	Hydrogen_Bond_Donor_Count	1
20095	Hydrogen_Bond_Acceptor_Count	3
92224	Hydrogen_Bond_Acceptor_Count	2
216225	Exact_Mass	421.14715559
135449517	Undefined_Bond_Stereo_Count	0
135398501	TPSA	84.7
12529691	Isotope_Atom_Count	0
706	Covalent_Unit_Count	1
12561969	Covalent_Unit_Count	1
805	Covalent_Unit_Count	1
92214	Defined_Bond_Stereo_Count	0
30544	Rotatable_Bond_Count	1
129710762	Exact_Mass	132.04225873
14089202	Exact_Mass	145.089149355
10194504	Exact_Mass	413.1142338
46693	Hydrogen_Bond_Acceptor_Count	3
5889	Hydrogen_Bond_Acceptor_Count	0
152807	Rotatable_Bond_Count	0
24877326	Isotope_Atom_Count	0
9285	Undefined_Atom_Stereo_Count	0
106757	XLogP3-AA	0.6
80715	Covalent_Unit_Count	1
6973656	Defined_Atom_Stereo_Count	0
145815	Defined_Bond_Stereo_Count	0
6688	Covalent_Unit_Count	1
135425186	Isotope_Atom_Count	0
11345692	Covalent_Unit_Count	2
60196384	Isotope_Atom_Count	0
17835489	Rotatable_Bond_Count	1
5281915	Total_Formal_Charge	0
146364	Defined_Atom_Stereo_Count	7
4103	Covalent_Unit_Count	1
170813	Defined_Atom_Stereo_Count	0
344693	TPSA	37.3
2724235	Mono_Isotopic_Weight	263.00581
76538	Molecular_Weight	338.3
821916	Rotatable_Bond_Count	3
6917773	Isotope_Atom_Count	0
23677979	Exact_Mass	208.01700960
16221	Mono_Isotopic_Weight	269.308250248
37251	Hydrogen_Bond_Donor_Count	0
66678	Molecular_Weight	147.22
6918222	Isotope_Atom_Count	0
23897	Structure_Complexity	354
73081	Hydrogen_Bond_Acceptor_Count	9
54678431	Undefined_Bond_Stereo_Count	0
62884	Non-hydrogen_Atom_Count	17
66582	Exact_Mass	173.047678466
18526330	Hydrogen_Bond_Donor_Count	2
7	XLogP3	0.2
53707229	Defined_Bond_Stereo_Count	0
5460570	TPSA	71.4
59392023	Hydrogen_Bond_Acceptor_Count	1
22015942	Rotatable_Bond_Count	3
11236560	Undefined_Atom_Stereo_Count	0
2804	Total_Formal_Charge	0
14988402	Undefined_Atom_Stereo_Count	0
589116	Isotope_Atom_Count	0
2017	Total_Formal_Charge	0
10451635	Exact_Mass	367.94803
65715	Isotope_Atom_Count	0
68366899	Structure_Complexity	382
123868	Undefined_Bond_Stereo_Count	0
33892	Hydrogen_Bond_Acceptor_Count	5
75317	Undefined_Atom_Stereo_Count	0
3257	Undefined_Bond_Stereo_Count	0
53635139	Isotope_Atom_Count	0
64761	Rotatable_Bond_Count	9
23355	TPSA	72.7
12921228	Structure_Complexity	101
1309	Hydrogen_Bond_Donor_Count	0
5506	Hydrogen_Bond_Acceptor_Count	2
16161315	Rotatable_Bond_Count	26
4472	Defined_Atom_Stereo_Count	0
12367425	Undefined_Atom_Stereo_Count	2
5289347	Mono_Isotopic_Weight	632.26332572
637794	Non-hydrogen_Atom_Count	12
55286252	Non-hydrogen_Atom_Count	10
139657	Rotatable_Bond_Count	1
24585	Molecular_Weight	154.25
54360	TPSA	35.9
16197725	Structure_Complexity	18400
115071571	Structure_Complexity	94.7
49862574	Rotatable_Bond_Count	7
11732	Mono_Isotopic_Weight	88.088815002
410865	Hydrogen_Bond_Acceptor_Count	1
135565472	Hydrogen_Bond_Acceptor_Count	7
9573395	Mono_Isotopic_Weight	645.23224432
117828099	Isotope_Atom_Count	0
464205	Structure_Complexity	354
17963	Non-hydrogen_Atom_Count	22
10021692	Undefined_Atom_Stereo_Count	0
50614	Mono_Isotopic_Weight	575.00214522
10428048	Exact_Mass	351.0905176
10772936	Hydrogen_Bond_Acceptor_Count	1
160440	Structure_Complexity	103
6539026	Hydrogen_Bond_Acceptor_Count	8
44298618	XLogP3-AA	6.9
12290	Mono_Isotopic_Weight	95.037113783
26873	Mono_Isotopic_Weight	18.03454212
9889200	Mono_Isotopic_Weight	395.09397721
10176108	Defined_Bond_Stereo_Count	0
12004418	Hydrogen_Bond_Acceptor_Count	2
65430	Covalent_Unit_Count	2
71808	Structure_Complexity	147
297777	TPSA	109
203329	Covalent_Unit_Count	2
5284461	Covalent_Unit_Count	1
49867925	Mono_Isotopic_Weight	665.30474055
5377791	Tautomer_Count	1
11286453	Undefined_Atom_Stereo_Count	0
91456	Structure_Complexity	207
542372	Total_Formal_Charge	0
8168	Rotatable_Bond_Count	11
5723	Undefined_Atom_Stereo_Count	0
3686	TPSA	72.8
12901	Defined_Atom_Stereo_Count	0
10923804	Mono_Isotopic_Weight	275.11912932
138107735	Defined_Bond_Stereo_Count	0
21702770	Mono_Isotopic_Weight	114.068079557
178134	Exact_Mass	208.121177757
7430	Molecular_Weight	207.01
143713444	Hydrogen_Bond_Acceptor_Count	1
235269	Exact_Mass	293.91375
13177208	Total_Formal_Charge	0
89748954	Undefined_Atom_Stereo_Count	2
11684684	Hydrogen_Bond_Donor_Count	3
13150	Defined_Bond_Stereo_Count	0
21610771	Molecular_Weight	117.10
5284583	Undefined_Bond_Stereo_Count	0
220001	Covalent_Unit_Count	1
22954661	Hydrogen_Bond_Acceptor_Count	2
135564654	Structure_Complexity	1110
102239071	Defined_Bond_Stereo_Count	0
1711921	XLogP3-AA	0.4
13570516	Hydrogen_Bond_Donor_Count	1
6336505	Hydrogen_Bond_Donor_Count	3
52947016	Covalent_Unit_Count	1
397053	XLogP3-AA	4.5
9334	TPSA	18.1
7487	Undefined_Bond_Stereo_Count	0
2550	Rotatable_Bond_Count	3
164610	Mono_Isotopic_Weight	262.074227566
734884	Isotope_Atom_Count	0
4192	XLogP3	2.5
15983677	Rotatable_Bond_Count	6
101630689	Undefined_Atom_Stereo_Count	0
25151352	Defined_Atom_Stereo_Count	0
77991437	Rotatable_Bond_Count	0
133612499	Mono_Isotopic_Weight	1033.54575866
93205	Rotatable_Bond_Count	6
9936	Undefined_Bond_Stereo_Count	0
58492	Isotope_Atom_Count	0
34140	TPSA	9.2
17378	Structure_Complexity	53.1
2676	Defined_Atom_Stereo_Count	0
20949	Defined_Atom_Stereo_Count	0
9746	Undefined_Atom_Stereo_Count	0
28649	Molecular_Weight	196.24
3243	Hydrogen_Bond_Acceptor_Count	2
91798954	Mono_Isotopic_Weight	585.28313405
20531373	Structure_Complexity	72.9
90057933	Total_Formal_Charge	0
10048368	Molecular_Weight	431.3
135754	Hydrogen_Bond_Donor_Count	1
15032818	Mono_Isotopic_Weight	106.078250319
16052039	Exact_Mass	662.4095366
44310002	TPSA	49.7
70693265	Covalent_Unit_Count	1
12738	Mono_Isotopic_Weight	682.59338227
801119	Defined_Bond_Stereo_Count	0
853863	Defined_Atom_Stereo_Count	0
36209	Total_Formal_Charge	1
5325949	Rotatable_Bond_Count	0
88210	XLogP3-AA	6.6
93131	Defined_Atom_Stereo_Count	0
2329	XLogP3-AA	3.3
60919	Molecular_Weight	411.5
133562785	Isotope_Atom_Count	0
9843750	Isotope_Atom_Count	0
68681268	Total_Formal_Charge	0
47676	Molecular_Weight	216.32
85255	Molecular_Weight	252.33
29971	Structure_Complexity	62.7
117709	Molecular_Weight	151.16
60374	Rotatable_Bond_Count	3
44555481	Defined_Atom_Stereo_Count	1
956	Rotatable_Bond_Count	25
347880	Structure_Complexity	216
22086042	XLogP3-AA	1.5
548769	Structure_Complexity	172
74825	TPSA	18.5
49170	Defined_Bond_Stereo_Count	0
1254	Mono_Isotopic_Weight	156.151415257
551178	Rotatable_Bond_Count	3
10672195	Covalent_Unit_Count	1
92883	Non-hydrogen_Atom_Count	7
185	Undefined_Atom_Stereo_Count	1
5284600	Hydrogen_Bond_Acceptor_Count	5
61212	TPSA	47.1
87886	Undefined_Atom_Stereo_Count	1
24083	Hydrogen_Bond_Donor_Count	0
23568550	Rotatable_Bond_Count	1
5354486	Total_Formal_Charge	0
14720269	Hydrogen_Bond_Donor_Count	0
117273842	Undefined_Atom_Stereo_Count	0
13207481	Defined_Bond_Stereo_Count	0
616630	Hydrogen_Bond_Donor_Count	2
59665343	Undefined_Atom_Stereo_Count	0
70693583	Hydrogen_Bond_Donor_Count	1
4262071	Undefined_Atom_Stereo_Count	5
21326601	Isotope_Atom_Count	0
8045	Exact_Mass	402.29813906
11347670	Undefined_Bond_Stereo_Count	0
46490	Defined_Atom_Stereo_Count	0
9420	Undefined_Atom_Stereo_Count	1
266934	Total_Formal_Charge	0
17736	Structure_Complexity	184
9855795	Molecular_Weight	204.35
11023	Exact_Mass	571.79137
11708045	Molecular_Weight	73.05
4793	Defined_Atom_Stereo_Count	0
19917	Structure_Complexity	97.2
71777706	Structure_Complexity	620
14572930	TPSA	44.8
9536	Defined_Atom_Stereo_Count	0
8028	Undefined_Atom_Stereo_Count	0
54023308	XLogP3-AA	1.3
299643	Hydrogen_Bond_Donor_Count	1
158974	Undefined_Atom_Stereo_Count	0
601697	Undefined_Bond_Stereo_Count	0
11194316	Defined_Bond_Stereo_Count	0
21750168	Rotatable_Bond_Count	1
9869776	TPSA	152
839431	Structure_Complexity	365
57280	Defined_Atom_Stereo_Count	0
21492261	Covalent_Unit_Count	1
44395178	Undefined_Bond_Stereo_Count	0
138975	Molecular_Weight	194.19
102119819	Hydrogen_Bond_Acceptor_Count	5
11534	Undefined_Atom_Stereo_Count	0
643774	Hydrogen_Bond_Acceptor_Count	1
637517	Hydrogen_Bond_Acceptor_Count	2
65647	Molecular_Weight	487.4
13528037	Rotatable_Bond_Count	7
58230406	Rotatable_Bond_Count	8
42827	Defined_Atom_Stereo_Count	0
98047	Non-hydrogen_Atom_Count	11
55294	Undefined_Atom_Stereo_Count	0
6387197	Hydrogen_Bond_Donor_Count	0
23462	Non-hydrogen_Atom_Count	9
20336979	Covalent_Unit_Count	1
6800	Molecular_Weight	500.64
92043320	Structure_Complexity	1510
129980649	Exact_Mass	100.052429494
91590	Exact_Mass	253.13611680
12444348	TPSA	20.2
40473182	Isotope_Atom_Count	0
77152	Exact_Mass	246.06922237
6334768	Undefined_Bond_Stereo_Count	0
7681	Defined_Bond_Stereo_Count	0
12208570	Rotatable_Bond_Count	0
32329	Molecular_Weight	273.37
25016295	Defined_Bond_Stereo_Count	0
71409757	XLogP3-AA	0.3
17412	Covalent_Unit_Count	1
101508194	Defined_Bond_Stereo_Count	0
96227	Hydrogen_Bond_Acceptor_Count	3
64143	Mono_Isotopic_Weight	567.31307810
15926139	Defined_Bond_Stereo_Count	0
519161	Total_Formal_Charge	0
3969	Structure_Complexity	369
57750798	Mono_Isotopic_Weight	112.088815002
12284127	Isotope_Atom_Count	0
22124932	Hydrogen_Bond_Acceptor_Count	1
11194306	Non-hydrogen_Atom_Count	8
31957	Rotatable_Bond_Count	9
22608833	Exact_Mass	114.9955546
443878	Mono_Isotopic_Weight	475.25700252
5318	Undefined_Atom_Stereo_Count	1
5276	Covalent_Unit_Count	1
69925	Covalent_Unit_Count	1
23385063	TPSA	0
71777654	Undefined_Bond_Stereo_Count	0
150868	Molecular_Weight	199.12
3045335	Defined_Atom_Stereo_Count	0
71681318	TPSA	69.7
31307	Defined_Bond_Stereo_Count	0
40772	Non-hydrogen_Atom_Count	13
14880677	Undefined_Atom_Stereo_Count	0
2136	Structure_Complexity	336
8658	XLogP3	1.7
78853	Undefined_Atom_Stereo_Count	0
153	Hydrogen_Bond_Donor_Count	5
55256	Molecular_Weight	209.21
119193	Structure_Complexity	205
447994	Non-hydrogen_Atom_Count	30
883476	Hydrogen_Bond_Donor_Count	1
70652	Non-hydrogen_Atom_Count	14
55289332	Hydrogen_Bond_Acceptor_Count	2
71829	Undefined_Atom_Stereo_Count	0
16070111	Exact_Mass	416.20597001
14852454	Undefined_Atom_Stereo_Count	2
20387203	Undefined_Bond_Stereo_Count	0
3892	Mono_Isotopic_Weight	395.17664420
11389423	Structure_Complexity	96.6
163	Defined_Bond_Stereo_Count	0
688451	Non-hydrogen_Atom_Count	17
58233	Total_Formal_Charge	0
59295974	Mono_Isotopic_Weight	581.1154122
2141	Total_Formal_Charge	0
12289998	Non-hydrogen_Atom_Count	8
5321318	Hydrogen_Bond_Donor_Count	1
4128060	Defined_Bond_Stereo_Count	0
46212	Total_Formal_Charge	0
8036	Rotatable_Bond_Count	3
123679079	Undefined_Atom_Stereo_Count	2
1815	Molecular_Weight	417.28
23528316	Mono_Isotopic_Weight	113.058911855
669846	Isotope_Atom_Count	0
45790066	Covalent_Unit_Count	4
81864	Non-hydrogen_Atom_Count	8
12369	Molecular_Weight	179.10
92154	Rotatable_Bond_Count	1
519112	Undefined_Atom_Stereo_Count	4
10953595	Hydrogen_Bond_Donor_Count	0
67248272	Hydrogen_Bond_Donor_Count	1
3083714	Structure_Complexity	2010
1353	Hydrogen_Bond_Acceptor_Count	3
54015928	Mono_Isotopic_Weight	97.052763847
20607721	Mono_Isotopic_Weight	94.078250319
1533	Hydrogen_Bond_Acceptor_Count	2
118984450	Hydrogen_Bond_Donor_Count	78
540327	Exact_Mass	284.16237386
49652	Structure_Complexity	564
129012189	Hydrogen_Bond_Donor_Count	4
68016	Tautomer_Count	1
12860067	Non-hydrogen_Atom_Count	8
47326	Hydrogen_Bond_Acceptor_Count	4
9548659	Defined_Atom_Stereo_Count	0
2728	Structure_Complexity	197
506015	TPSA	122
71443	Molecular_Weight	408.09
4369188	Covalent_Unit_Count	1
69401	Isotope_Atom_Count	0
123671769	Rotatable_Bond_Count	2
5284421	Total_Formal_Charge	0
517658	Non-hydrogen_Atom_Count	21
60993	TPSA	29.3
24866733	Total_Formal_Charge	0
31432	Covalent_Unit_Count	1
11049	Undefined_Atom_Stereo_Count	0
3590	Total_Formal_Charge	0
33934	Total_Formal_Charge	0
73707427	Hydrogen_Bond_Donor_Count	3
4044	Hydrogen_Bond_Acceptor_Count	3
242973	TPSA	57.4
56769	Isotope_Atom_Count	0
1089	Total_Formal_Charge	0
11587	Covalent_Unit_Count	1
14723649	Hydrogen_Bond_Acceptor_Count	2
7594067	Hydrogen_Bond_Acceptor_Count	6
12659781	Defined_Bond_Stereo_Count	0
67818	Total_Formal_Charge	0
30	Structure_Complexity	193
69588	Total_Formal_Charge	0
11865405	Hydrogen_Bond_Donor_Count	2
303892	Structure_Complexity	306
84119	XLogP3	4.3
836041	Isotope_Atom_Count	0
118218024	Undefined_Bond_Stereo_Count	0
70989	Undefined_Bond_Stereo_Count	0
841462	Exact_Mass	333.0390411
20287220	Isotope_Atom_Count	0
13597077	Rotatable_Bond_Count	0
3034047	Tautomer_Count	1
9432	Rotatable_Bond_Count	1
135544356	Undefined_Bond_Stereo_Count	0
101771	Undefined_Bond_Stereo_Count	0
10236037	TPSA	63.3
70701092	Mono_Isotopic_Weight	199.95853
219224	Isotope_Atom_Count	0
636401	Isotope_Atom_Count	0
91513	Isotope_Atom_Count	0
247839	TPSA	54.4
10163	Exact_Mass	270.05282342
23713799	TPSA	90.8
60150330	Total_Formal_Charge	0
12525	Covalent_Unit_Count	3
9808828	Structure_Complexity	886
59638	Mono_Isotopic_Weight	309.278012748
58376816	Defined_Atom_Stereo_Count	0
15415	Defined_Bond_Stereo_Count	0
131954634	Undefined_Atom_Stereo_Count	0
10630446	TPSA	26.3
11908489	Defined_Bond_Stereo_Count	0
219833	Rotatable_Bond_Count	1
4679699	Isotope_Atom_Count	0
9571009	Defined_Atom_Stereo_Count	0
14842942	Defined_Bond_Stereo_Count	0
194777	XLogP3	0.8
24211936	Hydrogen_Bond_Acceptor_Count	5
60051828	Molecular_Weight	111.14
2218	Undefined_Bond_Stereo_Count	0
136797998	Isotope_Atom_Count	0
129019256	Isotope_Atom_Count	0
52948200	Defined_Atom_Stereo_Count	1
63312	Hydrogen_Bond_Donor_Count	0
9989023	XLogP3-AA	8.5
164330	Exact_Mass	1397.576390
64644	Tautomer_Count	5
5501	Mono_Isotopic_Weight	232.09602564
2741326	Isotope_Atom_Count	0
1969	Defined_Atom_Stereo_Count	0
84072504	Covalent_Unit_Count	1
9589475	TPSA	259
20849243	Structure_Complexity	223
91867648	Exact_Mass	13.005739
17719	TPSA	58.9
44338517	TPSA	33.7
69391	Defined_Bond_Stereo_Count	0
441034	Total_Formal_Charge	0
11825335	Non-hydrogen_Atom_Count	27
6999109	Undefined_Atom_Stereo_Count	0
68992666	Rotatable_Bond_Count	2
46942	Total_Formal_Charge	2
41023	Hydrogen_Bond_Acceptor_Count	3
67123	Defined_Bond_Stereo_Count	0
14058558	Mono_Isotopic_Weight	346.23080839
84598	Exact_Mass	815.4704
5330197	Defined_Bond_Stereo_Count	0
7183	Total_Formal_Charge	0
11813	Defined_Bond_Stereo_Count	0
145711648	Hydrogen_Bond_Acceptor_Count	2
6481	Hydrogen_Bond_Acceptor_Count	2
13570516	Covalent_Unit_Count	1
1990	Mono_Isotopic_Weight	75.032028402
8442	Mono_Isotopic_Weight	324.17591592
14121451	Total_Formal_Charge	0
69903	XLogP3-AA	1.5
8289	Rotatable_Bond_Count	6
153989152	Molecular_Weight	111.10
11619220	Hydrogen_Bond_Donor_Count	1
71228	Tautomer_Count	6
9796068	Hydrogen_Bond_Donor_Count	1
145712264	Non-hydrogen_Atom_Count	59
45356230	TPSA	40.5
141336344	Molecular_Weight	114.14
5324277	Total_Formal_Charge	0
444972	Covalent_Unit_Count	1
4201	Covalent_Unit_Count	1
5282425	Undefined_Bond_Stereo_Count	0
135554980	Exact_Mass	87.006876283
90509	Defined_Atom_Stereo_Count	0
56672299	Total_Formal_Charge	0
16219464	Hydrogen_Bond_Donor_Count	11
87032	Non-hydrogen_Atom_Count	14
58492	Hydrogen_Bond_Donor_Count	2
528917	Hydrogen_Bond_Donor_Count	0
446816	Undefined_Bond_Stereo_Count	0
10197636	Exact_Mass	100.052429494
118285	Defined_Atom_Stereo_Count	0
10237	XLogP3-AA	2.6
163325	Total_Formal_Charge	0
56841628	Total_Formal_Charge	4
134692352	Defined_Bond_Stereo_Count	2
231360	Undefined_Bond_Stereo_Count	0
94791	TPSA	40.6
688510	Covalent_Unit_Count	1
14041	Mono_Isotopic_Weight	217.09502258
18517118	Undefined_Bond_Stereo_Count	0
627386	Total_Formal_Charge	0
25271781	Molecular_Weight	326.5
1549521	Rotatable_Bond_Count	2
91199926	Rotatable_Bond_Count	2
15643399	Structure_Complexity	72.1
21718278	Exact_Mass	111.079647300
274418	Non-hydrogen_Atom_Count	9
18377249	Hydrogen_Bond_Donor_Count	0
98633	Rotatable_Bond_Count	3
49853507	Covalent_Unit_Count	2
72200037	Rotatable_Bond_Count	9
44119936	Undefined_Atom_Stereo_Count	0
76344	Exact_Mass	270.1126501
69245	Molecular_Weight	93.08
9953907	Hydrogen_Bond_Acceptor_Count	7
99338	Isotope_Atom_Count	0
102452879	Undefined_Bond_Stereo_Count	0
12372	Non-hydrogen_Atom_Count	8
122214878	Isotope_Atom_Count	0
348	Isotope_Atom_Count	0
98231	XLogP3	1.4
11470068	Defined_Bond_Stereo_Count	0
2733484	Isotope_Atom_Count	0
8002	Rotatable_Bond_Count	2
43598	Mono_Isotopic_Weight	226.10275099
6440175	Molecular_Weight	585.7
123885601	Defined_Atom_Stereo_Count	0
494	Defined_Atom_Stereo_Count	0
38980	Total_Formal_Charge	0
7897	Defined_Atom_Stereo_Count	0
94268	Mono_Isotopic_Weight	98.073164938
10390369	Mono_Isotopic_Weight	479.19171692
69942112	Mono_Isotopic_Weight	118.062994177
647120	Defined_Atom_Stereo_Count	0
225674	Exact_Mass	220.100048391
19438210	Rotatable_Bond_Count	0
77443	Total_Formal_Charge	0
1826	Tautomer_Count	32
56670168	Hydrogen_Bond_Acceptor_Count	7
133126687	Total_Formal_Charge	0
8679	Isotope_Atom_Count	0
3083570	Defined_Bond_Stereo_Count	0
2218	Hydrogen_Bond_Acceptor_Count	2
193972	Undefined_Atom_Stereo_Count	4
20323	XLogP3-AA	1.6
105000	Isotope_Atom_Count	0
18793	Structure_Complexity	166
5429	Total_Formal_Charge	0
7971	Hydrogen_Bond_Donor_Count	1
13721252	Defined_Bond_Stereo_Count	0
13462	Defined_Bond_Stereo_Count	0
36690486	Total_Formal_Charge	0
79919	Molecular_Weight	368.6
44563145	Molecular_Weight	382.4
25102937	Hydrogen_Bond_Acceptor_Count	12
298082	Undefined_Atom_Stereo_Count	3
122195	Mono_Isotopic_Weight	419.96238076
67643	Molecular_Weight	410.06
11554216	Hydrogen_Bond_Acceptor_Count	5
37590	Structure_Complexity	66.5
315411	Undefined_Bond_Stereo_Count	0
135506152	Undefined_Atom_Stereo_Count	0
6871216	Rotatable_Bond_Count	3
31738	Non-hydrogen_Atom_Count	13
135625239	Total_Formal_Charge	0
60529	Exact_Mass	281.1182566
18410302	Defined_Atom_Stereo_Count	0
59224519	XLogP3-AA	0.4
65719	Mono_Isotopic_Weight	291.15829154
5043	Molecular_Weight	570.4
85960	Hydrogen_Bond_Acceptor_Count	4
19310	TPSA	75.9
87870846	Defined_Bond_Stereo_Count	0
90978	Covalent_Unit_Count	1
98790	Defined_Atom_Stereo_Count	0
123358	Defined_Atom_Stereo_Count	0
398595	Mono_Isotopic_Weight	321.17796
71301276	Hydrogen_Bond_Acceptor_Count	3
445319	Total_Formal_Charge	0
90657760	Exact_Mass	341.116426730
54698175	Exact_Mass	542.17049376
712967	Mono_Isotopic_Weight	331.08782920
14027329	Hydrogen_Bond_Acceptor_Count	2
101181995	Isotope_Atom_Count	0
11742	Isotope_Atom_Count	0
59630	Undefined_Atom_Stereo_Count	2
46837366	Structure_Complexity	872
18142	TPSA	35.5
11572	TPSA	0
89274700	Structure_Complexity	110
12266719	Hydrogen_Bond_Acceptor_Count	1
15100753	Hydrogen_Bond_Donor_Count	0
11405875	Defined_Atom_Stereo_Count	0
50741839	Structure_Complexity	1020
31448	Total_Formal_Charge	0
4659387	Undefined_Bond_Stereo_Count	0
12675	Exact_Mass	287.9808379
147336409	Hydrogen_Bond_Acceptor_Count	0
76619	Covalent_Unit_Count	1
21517	Defined_Atom_Stereo_Count	0
71810	Molecular_Weight	324.5
3648	Rotatable_Bond_Count	0
270299	Defined_Bond_Stereo_Count	0
134694008	Defined_Bond_Stereo_Count	0
82738	Non-hydrogen_Atom_Count	49
164005849	Exact_Mass	111.079647300
161656	Tautomer_Count	1
13561	Total_Formal_Charge	0
45479680	Non-hydrogen_Atom_Count	55
5388906	Hydrogen_Bond_Donor_Count	1
71389631	Exact_Mass	108.057514874
136437	Rotatable_Bond_Count	0
633097	Rotatable_Bond_Count	2
22037858	Non-hydrogen_Atom_Count	6
84986	Structure_Complexity	219
45040320	Covalent_Unit_Count	1
44392087	TPSA	69.3
20811708	Hydrogen_Bond_Donor_Count	0
151411	Tautomer_Count	3
89216	Rotatable_Bond_Count	4
102233553	Covalent_Unit_Count	1
93369	Hydrogen_Bond_Acceptor_Count	7
869	Defined_Bond_Stereo_Count	0
3939	Total_Formal_Charge	0
102584667	Molecular_Weight	165.27
4921934	Undefined_Bond_Stereo_Count	0
11051611	Covalent_Unit_Count	1
12130	Tautomer_Count	1
12654270	Defined_Bond_Stereo_Count	0
79729	Hydrogen_Bond_Acceptor_Count	4
70685495	Isotope_Atom_Count	0
556722	Exact_Mass	108.093900383
517030	Isotope_Atom_Count	0
42268	Rotatable_Bond_Count	2
212	Non-hydrogen_Atom_Count	24
107860	Tautomer_Count	1
987	Structure_Complexity	427
142471464	Isotope_Atom_Count	0
47531	Total_Formal_Charge	0
18075	Hydrogen_Bond_Acceptor_Count	2
42580059	Hydrogen_Bond_Donor_Count	8
22221739	Defined_Atom_Stereo_Count	0
80487728	Defined_Atom_Stereo_Count	0
43594	Defined_Atom_Stereo_Count	3
135968625	XLogP3-AA	6.7
44338763	Hydrogen_Bond_Acceptor_Count	8
159778730	XLogP3-AA	2.5
6335507	Defined_Atom_Stereo_Count	2
118014937	Defined_Bond_Stereo_Count	0
136070	Undefined_Atom_Stereo_Count	0
3137736	Rotatable_Bond_Count	3
91881846	Rotatable_Bond_Count	7
44564107	Total_Formal_Charge	0
513337	Hydrogen_Bond_Donor_Count	8
69242	Isotope_Atom_Count	0
11040705	Covalent_Unit_Count	1
9469	Structure_Complexity	192
3720856	Exact_Mass	202.04639011
2735309	Hydrogen_Bond_Acceptor_Count	3
11970	Hydrogen_Bond_Acceptor_Count	3
5460324	Undefined_Atom_Stereo_Count	1
17310	Total_Formal_Charge	1
154474669	Non-hydrogen_Atom_Count	7
130354549	Mono_Isotopic_Weight	100.063662883
54686898	Defined_Atom_Stereo_Count	6
77463	XLogP3-AA	1.1
548353	Total_Formal_Charge	0
11647372	Undefined_Atom_Stereo_Count	0
33625	Exact_Mass	347.199762429
7571	Covalent_Unit_Count	1
21670561	Structure_Complexity	109
15939271	Total_Formal_Charge	0
3033871	Tautomer_Count	2
9464	Undefined_Atom_Stereo_Count	0
9862	Rotatable_Bond_Count	3
6918584	Structure_Complexity	2790
5656	Molecular_Weight	277.4
20678	Isotope_Atom_Count	0
81217	Non-hydrogen_Atom_Count	18
14434847	Defined_Bond_Stereo_Count	0
7060	Exact_Mass	143.073499291
141289	Rotatable_Bond_Count	3
6603901	Mono_Isotopic_Weight	402.16785316
15920061	TPSA	38
44540469	XLogP3-AA	4.6
69488026	TPSA	43.3
71887	Undefined_Bond_Stereo_Count	0
38085	Structure_Complexity	306
56453	Defined_Bond_Stereo_Count	0
31374	Molecular_Weight	87.12
54296709	TPSA	23.8
83569	Rotatable_Bond_Count	3
131238	Covalent_Unit_Count	1
82187	Isotope_Atom_Count	0
71461541	Structure_Complexity	728
44419240	TPSA	93.4
131632500	Non-hydrogen_Atom_Count	23
30623	Exact_Mass	268.11715500
76223135	Defined_Bond_Stereo_Count	0
13786729	Non-hydrogen_Atom_Count	8
133635911	XLogP3-AA	4
73093	Rotatable_Bond_Count	9
4373502	Molecular_Weight	236.25
57406719	Structure_Complexity	995
4277439	Hydrogen_Bond_Donor_Count	1
57346808	Mono_Isotopic_Weight	991.42555890
7641	TPSA	52.6
6992086	Undefined_Bond_Stereo_Count	0
91931778	Structure_Complexity	839
60287	Defined_Bond_Stereo_Count	0
9823454	Defined_Atom_Stereo_Count	1
102	Defined_Bond_Stereo_Count	0
11288	Structure_Complexity	275
9835852	Total_Formal_Charge	0
5741	TPSA	38.8
119373	Total_Formal_Charge	0
986	TPSA	389
2762816	Undefined_Atom_Stereo_Count	0
53317110	Non-hydrogen_Atom_Count	19
44565798	Hydrogen_Bond_Acceptor_Count	7
12293	Structure_Complexity	99.7
17343	Exact_Mass	261.893590
154515561	Covalent_Unit_Count	1
5368010	Tautomer_Count	1
4934	Mono_Isotopic_Weight	368.22256882
11281445	Mono_Isotopic_Weight	415.17433553
24470	Isotope_Atom_Count	0
87254	Covalent_Unit_Count	1
12637126	Total_Formal_Charge	0
60712	TPSA	114
3038481	Total_Formal_Charge	0
49862689	Defined_Bond_Stereo_Count	0
5280723	Molecular_Weight	354.5
20138	Isotope_Atom_Count	0
119054	Undefined_Atom_Stereo_Count	0
135398495	Exact_Mass	381.19132300
127054492	TPSA	103
8593	Defined_Bond_Stereo_Count	0
97754	Undefined_Atom_Stereo_Count	1
841083	Total_Formal_Charge	0
21720139	Hydrogen_Bond_Acceptor_Count	1
69251960	Undefined_Atom_Stereo_Count	0
24945227	TPSA	81.1
66041	Tautomer_Count	1
92588	Covalent_Unit_Count	1
118540789	Molecular_Weight	97.16
2435	Tautomer_Count	4
138496	Mono_Isotopic_Weight	109.063997236
109198	Structure_Complexity	445
637579	Hydrogen_Bond_Acceptor_Count	12
40463608	Defined_Atom_Stereo_Count	0
3839223	TPSA	60.4
24883	Undefined_Atom_Stereo_Count	0
56205	Defined_Bond_Stereo_Count	0
70943	TPSA	25.8
72296	Non-hydrogen_Atom_Count	20
1390	Defined_Atom_Stereo_Count	0
1475063	Defined_Atom_Stereo_Count	0
73093	Hydrogen_Bond_Acceptor_Count	5
11494412	XLogP3-AA	2.9
105709961	Total_Formal_Charge	0
140069478	Non-hydrogen_Atom_Count	8
50895	Mono_Isotopic_Weight	361.0328700
94411	Non-hydrogen_Atom_Count	13
19469	Hydrogen_Bond_Donor_Count	1
12559	Undefined_Bond_Stereo_Count	0
67108207	Exact_Mass	316.1553704
6399650	Structure_Complexity	119
5015	Non-hydrogen_Atom_Count	19
168083	Undefined_Bond_Stereo_Count	0
859174	Rotatable_Bond_Count	4
9867361	Total_Formal_Charge	0
17778639	Undefined_Atom_Stereo_Count	1
447884	Total_Formal_Charge	0
6514	Total_Formal_Charge	0
551434	Hydrogen_Bond_Acceptor_Count	2
10942338	Non-hydrogen_Atom_Count	6
60196266	Rotatable_Bond_Count	16
145875202	Defined_Atom_Stereo_Count	13
20769	Molecular_Weight	128.17
23831	Covalent_Unit_Count	1
54479104	Defined_Atom_Stereo_Count	0
67515	XLogP3-AA	1
70255	Rotatable_Bond_Count	0
72376365	Molecular_Weight	786.8
5359421	Mono_Isotopic_Weight	287.15214353
6540277	Defined_Atom_Stereo_Count	0
43984	Non-hydrogen_Atom_Count	27
441080	Non-hydrogen_Atom_Count	24
97758	Exact_Mass	82.041864811
59903796	Total_Formal_Charge	0
239041	Isotope_Atom_Count	0
6182	Covalent_Unit_Count	2
17714	Non-hydrogen_Atom_Count	21
59503411	Defined_Atom_Stereo_Count	3
108147	Non-hydrogen_Atom_Count	59
79123	Undefined_Atom_Stereo_Count	1
640	Non-hydrogen_Atom_Count	16
23673837	Molecular_Weight	444.6
148475193	Exact_Mass	101.084063974
13415147	Rotatable_Bond_Count	2
133655777	Undefined_Atom_Stereo_Count	1
3291	Structure_Complexity	188
11198626	Hydrogen_Bond_Acceptor_Count	4
14654469	Non-hydrogen_Atom_Count	7
57750312	Covalent_Unit_Count	1
5373773	Mono_Isotopic_Weight	250.12050905
27924	Hydrogen_Bond_Acceptor_Count	8
112029	Undefined_Atom_Stereo_Count	1
1044	Tautomer_Count	4
6539038	Defined_Atom_Stereo_Count	0
532295	Isotope_Atom_Count	0
11474	Rotatable_Bond_Count	1
78352	Undefined_Atom_Stereo_Count	0
5459377	XLogP3-AA	11.3
41478	Exact_Mass	406.04637137
133662560	TPSA	110
57369411	Mono_Isotopic_Weight	845.53283528
216281	Mono_Isotopic_Weight	193.110278721
138539	Defined_Atom_Stereo_Count	0
14529	Isotope_Atom_Count	0
263639	Mono_Isotopic_Weight	112.088815002
27058	Molecular_Weight	292.49
6434144	Hydrogen_Bond_Acceptor_Count	8
5460765	Covalent_Unit_Count	1
3080904	Isotope_Atom_Count	0
87877	Isotope_Atom_Count	0
5727	Defined_Atom_Stereo_Count	0
9690122	Non-hydrogen_Atom_Count	16
535532	Total_Formal_Charge	0
61007	Molecular_Weight	178.23
21251781	Mono_Isotopic_Weight	113.047678466
8210	Mono_Isotopic_Weight	218.18819469
12285892	Non-hydrogen_Atom_Count	12
6918132	Exact_Mass	360.0038982
75905	Hydrogen_Bond_Donor_Count	1
96004	Isotope_Atom_Count	0
87310	Undefined_Atom_Stereo_Count	1
166558989	Non-hydrogen_Atom_Count	8
11412346	Mono_Isotopic_Weight	97.089149355
107775	Defined_Atom_Stereo_Count	3
5977	Mono_Isotopic_Weight	175.956248
21946437	Tautomer_Count	1
60490	Defined_Atom_Stereo_Count	0
77442	Undefined_Bond_Stereo_Count	0
1660	XLogP3-AA	8.5
123628273	Defined_Bond_Stereo_Count	0
20841747	Defined_Bond_Stereo_Count	0
13248127	Isotope_Atom_Count	0
71584053	Hydrogen_Bond_Donor_Count	1
908	Undefined_Bond_Stereo_Count	0
20723390	Rotatable_Bond_Count	0
21868524	Defined_Atom_Stereo_Count	0
7429	Defined_Atom_Stereo_Count	0
137651	XLogP3-AA	2
446067	Undefined_Bond_Stereo_Count	0
7808	Tautomer_Count	2
133121364	Mono_Isotopic_Weight	181.06674293
8875	Hydrogen_Bond_Donor_Count	1
9796154	Mono_Isotopic_Weight	294.19434270
222536	TPSA	52.6
69333614	Exact_Mass	99.032028402
71306	TPSA	401
160723	Molecular_Weight	246.31
524213	Defined_Bond_Stereo_Count	0
22222161	Isotope_Atom_Count	0
548545	Isotope_Atom_Count	0
54418364	Undefined_Atom_Stereo_Count	1
720213	Total_Formal_Charge	0
53036	Hydrogen_Bond_Acceptor_Count	0
6918266	Hydrogen_Bond_Donor_Count	4
1550330	Defined_Bond_Stereo_Count	2
32798	Defined_Bond_Stereo_Count	0
62873	Structure_Complexity	678
6276645	Hydrogen_Bond_Donor_Count	18
157396	Structure_Complexity	405
21426352	Total_Formal_Charge	0
67669	Structure_Complexity	201
30387	Total_Formal_Charge	0
24764418	Rotatable_Bond_Count	6
135854412	Covalent_Unit_Count	1
28993	Isotope_Atom_Count	0
14546681	Undefined_Bond_Stereo_Count	0
59392388	Mono_Isotopic_Weight	101.084063974
72571	Hydrogen_Bond_Donor_Count	4
9847219	Isotope_Atom_Count	0
86306373	Rotatable_Bond_Count	1
135418174	Defined_Bond_Stereo_Count	0
501254	XLogP3	0.7
5284627	Structure_Complexity	556
165571	Hydrogen_Bond_Donor_Count	0
10654192	Isotope_Atom_Count	0
49868115	Mono_Isotopic_Weight	233.800115
9259	Exact_Mass	80.037448136
261491	Isotope_Atom_Count	0
7394	Molecular_Weight	180.55
6941	Tautomer_Count	1
202519	Covalent_Unit_Count	1
66687596	TPSA	43.4
20298	Molecular_Weight	354.0
404291	Structure_Complexity	375
196651	Non-hydrogen_Atom_Count	19
139756	Rotatable_Bond_Count	2
3187	Mono_Isotopic_Weight	359.21686904
45085104	Defined_Bond_Stereo_Count	0
5281426	Hydrogen_Bond_Donor_Count	1
25058199	Exact_Mass	473.12567125
24848261	Isotope_Atom_Count	0
7144	Mono_Isotopic_Weight	138.068079557
26879	Defined_Atom_Stereo_Count	1
44129647	Exact_Mass	348.11035554
70689350	Covalent_Unit_Count	2
182176	Mono_Isotopic_Weight	239.15214353
49849523	Isotope_Atom_Count	3
5460185	Defined_Bond_Stereo_Count	0
75057	Isotope_Atom_Count	0
45791267	Rotatable_Bond_Count	2
15034633	Undefined_Atom_Stereo_Count	0
150986	Hydrogen_Bond_Acceptor_Count	3
439587	Undefined_Atom_Stereo_Count	0
102484	Total_Formal_Charge	0
12980109	Covalent_Unit_Count	1
22639586	Isotope_Atom_Count	0
132399083	Defined_Bond_Stereo_Count	0
115017	Exact_Mass	152.062600255
58618581	Non-hydrogen_Atom_Count	12
16684880	Total_Formal_Charge	0
81869	XLogP3	4.5
60196261	Defined_Atom_Stereo_Count	0
94403	Molecular_Weight	264.4
725	Tautomer_Count	1
158343497	Defined_Bond_Stereo_Count	0
9818287	Rotatable_Bond_Count	6
606512	Exact_Mass	369.17630742
140557163	Total_Formal_Charge	0
5289590	Hydrogen_Bond_Donor_Count	4
751	Hydrogen_Bond_Acceptor_Count	3
6999868	Molecular_Weight	194.05
101016656	Covalent_Unit_Count	5
145784171	Hydrogen_Bond_Donor_Count	1
17881	Non-hydrogen_Atom_Count	44
21613900	Exact_Mass	111.043261792
5328017	Total_Formal_Charge	0
54594759	Defined_Atom_Stereo_Count	0
474523	Exact_Mass	403.345029678
12200971	Total_Formal_Charge	0
14947250	Mono_Isotopic_Weight	97.052763847
11048104	Defined_Atom_Stereo_Count	0
22607060	Hydrogen_Bond_Donor_Count	0
83528703	Hydrogen_Bond_Donor_Count	2
6057	TPSA	83.6
10753	Undefined_Bond_Stereo_Count	0
123550154	Structure_Complexity	562
66588767	Molecular_Weight	582.6
69109362	Mono_Isotopic_Weight	101.047678466
69488	Defined_Atom_Stereo_Count	0
25010556	Non-hydrogen_Atom_Count	26
3014295	Defined_Bond_Stereo_Count	0
90235	Covalent_Unit_Count	1
127995	Defined_Bond_Stereo_Count	0
54960	Non-hydrogen_Atom_Count	28
5282443	Exact_Mass	278.178298710
57713	Hydrogen_Bond_Donor_Count	4
307	TPSA	17.1
72732	Defined_Bond_Stereo_Count	0
88064	Exact_Mass	131.058243149
102657	Rotatable_Bond_Count	2
20861	Non-hydrogen_Atom_Count	10
5479530	Exact_Mass	554.04605846
10491069	Molecular_Weight	253.21
14416018	Non-hydrogen_Atom_Count	7
65889	Structure_Complexity	691
91824766	Molecular_Weight	1553.8
306211	Hydrogen_Bond_Acceptor_Count	3
521759	Molecular_Weight	96.17
36357	Structure_Complexity	415
44392088	Covalent_Unit_Count	1
14067844	Molecular_Weight	111.10
10176084	Isotope_Atom_Count	0
18432427	Structure_Complexity	286
72253	Mono_Isotopic_Weight	303.07325556
23696523	Defined_Atom_Stereo_Count	0
15066029	TPSA	18.5
55185	Hydrogen_Bond_Acceptor_Count	14
80478	Non-hydrogen_Atom_Count	24
18757559	Defined_Bond_Stereo_Count	0
7949	Hydrogen_Bond_Donor_Count	1
4797	Isotope_Atom_Count	0
40818	Molecular_Weight	152.06
5283731	Structure_Complexity	655
136880	Undefined_Bond_Stereo_Count	0
824784	Molecular_Weight	315.8
4160	Exact_Mass	302.224580195
56965681	Non-hydrogen_Atom_Count	7
12231	Defined_Bond_Stereo_Count	0
77338	Undefined_Bond_Stereo_Count	0
45140016	Defined_Bond_Stereo_Count	1
6432115	Defined_Atom_Stereo_Count	0
53407792	Structure_Complexity	72.9
31281	Undefined_Bond_Stereo_Count	0
54340209	Non-hydrogen_Atom_Count	8
57280823	Molecular_Weight	115.16
13364	Covalent_Unit_Count	1
53886733	Defined_Atom_Stereo_Count	0
347475	Hydrogen_Bond_Acceptor_Count	1
146171122	Rotatable_Bond_Count	4
10224595	Undefined_Atom_Stereo_Count	0
53414720	Defined_Atom_Stereo_Count	0
97919	Isotope_Atom_Count	0
24239	Structure_Complexity	192
10350561	Rotatable_Bond_Count	14
87885	Tautomer_Count	1
10428048	XLogP3-AA	5.5
544591	Rotatable_Bond_Count	3
60196391	Defined_Bond_Stereo_Count	0
534566	Covalent_Unit_Count	1
11462546	Non-hydrogen_Atom_Count	26
151062	Covalent_Unit_Count	1
131752860	Hydrogen_Bond_Acceptor_Count	1
155903765	Isotope_Atom_Count	0
5284540	Structure_Complexity	957
5257090	TPSA	80.5
53670643	TPSA	72.2
6420138	Isotope_Atom_Count	0
101307877	Undefined_Bond_Stereo_Count	0
8892	Undefined_Bond_Stereo_Count	0
3073	TPSA	35.5
6441283	Isotope_Atom_Count	0
158432	Structure_Complexity	568
138319323	Structure_Complexity	756
20348167	Hydrogen_Bond_Acceptor_Count	3
12293	Molecular_Weight	158.24
5462346	Mono_Isotopic_Weight	477.23626707
16681432	Structure_Complexity	1850
129631047	Mono_Isotopic_Weight	657.83124
25657	Mono_Isotopic_Weight	94.041864811
15234	Exact_Mass	186.125594432
4756	Molecular_Weight	213.24
71555	Exact_Mass	217.0869564
119096545	Defined_Atom_Stereo_Count	0
7810	Undefined_Bond_Stereo_Count	0
587348	Defined_Atom_Stereo_Count	0
11328	Structure_Complexity	150
15765799	TPSA	34.1
17155	Defined_Bond_Stereo_Count	0
6438383	Rotatable_Bond_Count	4
84305	Defined_Atom_Stereo_Count	0
66598080	Isotope_Atom_Count	0
483765	Structure_Complexity	479
4055279	Covalent_Unit_Count	1
8073	Hydrogen_Bond_Donor_Count	0
60196345	Hydrogen_Bond_Acceptor_Count	6
79483	Hydrogen_Bond_Donor_Count	2
10975433	Undefined_Atom_Stereo_Count	0
136378	Hydrogen_Bond_Acceptor_Count	0
91021644	XLogP3-AA	0
8522	Exact_Mass	313.99161
88423	Structure_Complexity	154
5464343	Defined_Bond_Stereo_Count	0
16170	Covalent_Unit_Count	1
18361854	Total_Formal_Charge	0
2683	XLogP3-AA	8.7
78704	Undefined_Bond_Stereo_Count	0
16224058	Covalent_Unit_Count	1
67495	Isotope_Atom_Count	0
54584258	Isotope_Atom_Count	0
5478936	Total_Formal_Charge	0
153834924	Rotatable_Bond_Count	0
78422638	Defined_Bond_Stereo_Count	0
16051935	Undefined_Bond_Stereo_Count	0
6858006	Undefined_Bond_Stereo_Count	0
5777	Hydrogen_Bond_Donor_Count	0
5877292	Molecular_Weight	190.24
3685	Total_Formal_Charge	0
459294	Covalent_Unit_Count	1
133429	Covalent_Unit_Count	1
57410	TPSA	61.8
182137	Defined_Bond_Stereo_Count	0
255	Tautomer_Count	1
80152	Rotatable_Bond_Count	3
74626	Undefined_Bond_Stereo_Count	0
444797	Isotope_Atom_Count	0
27893	Defined_Atom_Stereo_Count	0
79005	Isotope_Atom_Count	0
10464312	Defined_Atom_Stereo_Count	0
9828138	Mono_Isotopic_Weight	522.27635824
117968974	Undefined_Bond_Stereo_Count	0
5352693	Covalent_Unit_Count	1
33498	Isotope_Atom_Count	0
14435951	XLogP3-AA	0.5
34875	Isotope_Atom_Count	0
9425	Exact_Mass	552.2521632
3033821	Hydrogen_Bond_Donor_Count	0
301520	XLogP3-AA	3.4
9889867	Isotope_Atom_Count	0
21677760	TPSA	60.2
519200	Hydrogen_Bond_Donor_Count	0
12315	Defined_Atom_Stereo_Count	0
11077530	TPSA	86
71593923	Undefined_Bond_Stereo_Count	0
197806	Non-hydrogen_Atom_Count	16
63982	Isotope_Atom_Count	0
14759390	Isotope_Atom_Count	0
692159	Defined_Atom_Stereo_Count	0
97944	Total_Formal_Charge	0
219081	Defined_Bond_Stereo_Count	0
6787	Exact_Mass	418.30830982
10346039	Defined_Atom_Stereo_Count	7
136400	Rotatable_Bond_Count	0
440667	Isotope_Atom_Count	0
1683	Tautomer_Count	1
90761	Hydrogen_Bond_Donor_Count	0
16123056	Total_Formal_Charge	0
5481173	XLogP3	0.4
139584100	Non-hydrogen_Atom_Count	92
9861452	Total_Formal_Charge	0
3942	Hydrogen_Bond_Donor_Count	0
14180	Covalent_Unit_Count	1
61054	Undefined_Bond_Stereo_Count	0
19474	Rotatable_Bond_Count	0
11147674	Defined_Atom_Stereo_Count	0
129486	Non-hydrogen_Atom_Count	26
443210	Mono_Isotopic_Weight	564.07575674
148039025	Hydrogen_Bond_Acceptor_Count	1
21450089	Hydrogen_Bond_Donor_Count	0
398637	Undefined_Atom_Stereo_Count	0
162290	Exact_Mass	692.5025642
7337	Defined_Atom_Stereo_Count	0
6469	Undefined_Bond_Stereo_Count	0
11163584	Covalent_Unit_Count	1
76224463	Rotatable_Bond_Count	1
24970412	Defined_Atom_Stereo_Count	4
439186	Non-hydrogen_Atom_Count	23
91526	TPSA	65.6
7400	Structure_Complexity	211
5287958	Covalent_Unit_Count	1
98181809	Hydrogen_Bond_Donor_Count	1
148139	Hydrogen_Bond_Acceptor_Count	9
83872174	Rotatable_Bond_Count	1
7098630	Undefined_Bond_Stereo_Count	0
19596	Undefined_Bond_Stereo_Count	0
408536	Covalent_Unit_Count	1
23695767	Covalent_Unit_Count	2
27681	Exact_Mass	346.168254
146158568	Molecular_Weight	527.5
3034479	XLogP3-AA	0.7
36688490	Rotatable_Bond_Count	2
16723	Molecular_Weight	160.09
102446	TPSA	0
24714	Total_Formal_Charge	0
9892	Mono_Isotopic_Weight	130.02416388
1451	Exact_Mass	364.240230259
46877881	Hydrogen_Bond_Donor_Count	9
16590	Isotope_Atom_Count	0
60150330	Mono_Isotopic_Weight	115.063328530
5488196	Molecular_Weight	236.27
15910	Hydrogen_Bond_Acceptor_Count	2
656657	Defined_Atom_Stereo_Count	1
19738210	XLogP3-AA	1
59059038	Hydrogen_Bond_Acceptor_Count	3
44563	Non-hydrogen_Atom_Count	29
88898	Rotatable_Bond_Count	0
707094	Covalent_Unit_Count	1
21470	Molecular_Weight	696.8
292184	Defined_Bond_Stereo_Count	0
14717865	Undefined_Bond_Stereo_Count	0
68678	Undefined_Bond_Stereo_Count	0
3804841	Isotope_Atom_Count	0
5282459	Undefined_Bond_Stereo_Count	0
50901	Hydrogen_Bond_Donor_Count	2
71348	Defined_Atom_Stereo_Count	0
14180	Molecular_Weight	334.22
10351660	Exact_Mass	104.047344113
7048707	TPSA	69.6
71454920	Covalent_Unit_Count	1
65667	Total_Formal_Charge	0
6918840	Rotatable_Bond_Count	13
67554835	Hydrogen_Bond_Donor_Count	1
53786	Total_Formal_Charge	0
442501	Tautomer_Count	1
70949	Rotatable_Bond_Count	1
81601	Defined_Bond_Stereo_Count	0
15606546	TPSA	111
91617740	Structure_Complexity	353
448123	Covalent_Unit_Count	1
11517780	Covalent_Unit_Count	1
110964	Rotatable_Bond_Count	0
6	Hydrogen_Bond_Donor_Count	0
1820	Mono_Isotopic_Weight	179.03825660
37865	Undefined_Bond_Stereo_Count	0
23649245	Tautomer_Count	5
21865270	Molecular_Weight	83.09
156144	Mono_Isotopic_Weight	340.0269143
89339	Exact_Mass	344.19875937
307976	Rotatable_Bond_Count	0
24699	Undefined_Atom_Stereo_Count	1
20739	Mono_Isotopic_Weight	142.135765193
67409219	Defined_Bond_Stereo_Count	0
86278347	Total_Formal_Charge	0
135413528	Tautomer_Count	3
57583195	Mono_Isotopic_Weight	101.084063974
144531850	Undefined_Atom_Stereo_Count	0
134823960	Molecular_Weight	266.34
272714	Covalent_Unit_Count	1
87161809	Structure_Complexity	110
25271781	Undefined_Bond_Stereo_Count	0
70689446	XLogP3-AA	1.5
472946	Total_Formal_Charge	0
21517	Non-hydrogen_Atom_Count	33
804760	Covalent_Unit_Count	1
57547	TPSA	18.1
60060441	Mono_Isotopic_Weight	72.00721064
16911	Rotatable_Bond_Count	3
449355	Defined_Bond_Stereo_Count	0
24771777	Hydrogen_Bond_Donor_Count	1
8817	Non-hydrogen_Atom_Count	9
10034060	TPSA	515
83268	Non-hydrogen_Atom_Count	10
18312	Structure_Complexity	51.1
4184	Isotope_Atom_Count	0
9699	Total_Formal_Charge	0
7305	Rotatable_Bond_Count	3
6918852	TPSA	136
60196402	Hydrogen_Bond_Donor_Count	2
137118	Total_Formal_Charge	0
56668820	Undefined_Atom_Stereo_Count	1
136430	Non-hydrogen_Atom_Count	15
2801	Tautomer_Count	8
3440	Undefined_Bond_Stereo_Count	0
628904	Hydrogen_Bond_Donor_Count	1
14454	Exact_Mass	102.104465066
10954241	Isotope_Atom_Count	6
71219	Molecular_Weight	316.4
123359	Non-hydrogen_Atom_Count	2
12304539	Total_Formal_Charge	0
4503	Hydrogen_Bond_Acceptor_Count	17
10991489	Undefined_Bond_Stereo_Count	0
6139	Mono_Isotopic_Weight	734.56998054
6437071	Covalent_Unit_Count	1
210410	Mono_Isotopic_Weight	116.094963011
71691	Exact_Mass	408.384154838
5280981	Defined_Atom_Stereo_Count	0
6999030	TPSA	124
10076806	Mono_Isotopic_Weight	573.17228466
12399560	Mono_Isotopic_Weight	511.18959167
25125217	Mono_Isotopic_Weight	487.18312413
149096	Hydrogen_Bond_Acceptor_Count	8
15551468	Hydrogen_Bond_Acceptor_Count	2
67089	Undefined_Bond_Stereo_Count	0
12358497	Total_Formal_Charge	0
6973640	XLogP3	2.7
76590	Isotope_Atom_Count	0
13351946	Non-hydrogen_Atom_Count	9
6437387	XLogP3-AA	5.3
40784491	Defined_Bond_Stereo_Count	0
22225900	Defined_Atom_Stereo_Count	0
5372813	Rotatable_Bond_Count	2
21951770	Hydrogen_Bond_Acceptor_Count	5
71583159	Structure_Complexity	676
2756534	Defined_Bond_Stereo_Count	0
141831210	Covalent_Unit_Count	1
146159550	Molecular_Weight	875.1
40467	Molecular_Weight	292.0
86278404	Molecular_Weight	180.16
135300	Structure_Complexity	0
54740	Structure_Complexity	475
6371716	Defined_Bond_Stereo_Count	3
146808246	Defined_Bond_Stereo_Count	0
16133850	Structure_Complexity	9740
10039361	Undefined_Atom_Stereo_Count	0
34771	Undefined_Atom_Stereo_Count	1
8053	Hydrogen_Bond_Acceptor_Count	3
131731747	Non-hydrogen_Atom_Count	13
6699	Undefined_Bond_Stereo_Count	0
5284363	Tautomer_Count	1
10072	Defined_Bond_Stereo_Count	0
92729	Undefined_Atom_Stereo_Count	0
107971	XLogP3-AA	0.7
208898	TPSA	97.2
5464262	Mono_Isotopic_Weight	570.0888804
9548611	Isotope_Atom_Count	0
15842092	Isotope_Atom_Count	0
56801	TPSA	140
11173	Exact_Mass	86.073164938
5447	Undefined_Bond_Stereo_Count	0
15185934	Mono_Isotopic_Weight	112.074896272
121235090	Non-hydrogen_Atom_Count	24
567	Molecular_Weight	277.70
29254	Hydrogen_Bond_Acceptor_Count	2
59973	Rotatable_Bond_Count	10
71450703	Mono_Isotopic_Weight	496.09403677
53803	Total_Formal_Charge	0
16227342	Exact_Mass	109.027611728
3015569	Tautomer_Count	9
5754	Isotope_Atom_Count	0
13480954	Rotatable_Bond_Count	2
34837	Mono_Isotopic_Weight	324.20624479
6918191	Total_Formal_Charge	0
16682828	TPSA	26.3
688323	XLogP3-AA	2.6
76720	TPSA	87.7
12231192	Structure_Complexity	65.1
78812	Total_Formal_Charge	0
68365444	Covalent_Unit_Count	1
138860	Structure_Complexity	168
159326	Mono_Isotopic_Weight	378.15143251
49868115	Undefined_Atom_Stereo_Count	0
44581145	Hydrogen_Bond_Donor_Count	4
83645	Rotatable_Bond_Count	10
31134	Structure_Complexity	405
10256734	XLogP3-AA	1.8
24180695	Exact_Mass	209.12632271
53317110	Total_Formal_Charge	0
126968951	Hydrogen_Bond_Donor_Count	4
42602097	Undefined_Atom_Stereo_Count	1
91282244	Defined_Bond_Stereo_Count	0
533930	Defined_Atom_Stereo_Count	0
715567	Covalent_Unit_Count	1
123467456	Rotatable_Bond_Count	1
67406	Total_Formal_Charge	0
71517699	Exact_Mass	491.0917843
11993740	Covalent_Unit_Count	1
1886	Exact_Mass	438.20423867
23465004	Hydrogen_Bond_Donor_Count	1
98491	Mono_Isotopic_Weight	281.976983
21809017	Covalent_Unit_Count	1
11597697	Mono_Isotopic_Weight	455.17599275
43813	Hydrogen_Bond_Donor_Count	1
22487040	Rotatable_Bond_Count	7
10027822	Exact_Mass	473.18383758
102503760	Non-hydrogen_Atom_Count	47
3649	Non-hydrogen_Atom_Count	24
753	Undefined_Atom_Stereo_Count	0
10013505	Defined_Bond_Stereo_Count	0
6278	XLogP3-AA	2.4
753053	Covalent_Unit_Count	1
57089031	Covalent_Unit_Count	1
15054176	Covalent_Unit_Count	1
23665647	Mono_Isotopic_Weight	112.02904639
135718449	TPSA	135
146158781	Mono_Isotopic_Weight	1091.57236732
979919	Non-hydrogen_Atom_Count	24
139211178	TPSA	135
62783	Undefined_Bond_Stereo_Count	0
680036	TPSA	76.7
10265934	Molecular_Weight	140.23
12347357	Hydrogen_Bond_Donor_Count	1
524314	Defined_Atom_Stereo_Count	0
57514167	TPSA	67.5
3015798	TPSA	90.7
638552	Undefined_Atom_Stereo_Count	0
10240766	Undefined_Atom_Stereo_Count	0
94972	Rotatable_Bond_Count	3
17860	Hydrogen_Bond_Donor_Count	0
6435419	Isotope_Atom_Count	0
10722	Defined_Atom_Stereo_Count	0
71602	Molecular_Weight	179.18
12571	Structure_Complexity	86.9
129655960	Hydrogen_Bond_Donor_Count	2
6584	XLogP3	0.2
91886354	Defined_Bond_Stereo_Count	0
9843750	Rotatable_Bond_Count	5
71196	Covalent_Unit_Count	2
10357919	Molecular_Weight	308.4
972505	Hydrogen_Bond_Acceptor_Count	6
25130088	Isotope_Atom_Count	0
88358812	Total_Formal_Charge	0
28876	Structure_Complexity	363
6406	Covalent_Unit_Count	1
21133161	XLogP3-AA	1.1
16248	XLogP3	2.9
54428	Mono_Isotopic_Weight	360.1815851
18614	Total_Formal_Charge	0
20035	Rotatable_Bond_Count	7
5460853	Defined_Atom_Stereo_Count	1
11734	Mono_Isotopic_Weight	107.9978071
21789	Total_Formal_Charge	0
626366	Defined_Atom_Stereo_Count	0
3776755	Hydrogen_Bond_Acceptor_Count	0
6918076	Covalent_Unit_Count	1
101755686	Mono_Isotopic_Weight	977.52483213
9816981	Covalent_Unit_Count	2
581206	Isotope_Atom_Count	0
8225	Defined_Bond_Stereo_Count	0
11094575	Non-hydrogen_Atom_Count	8
24848260	TPSA	54.1
76284	Non-hydrogen_Atom_Count	6
101218360	Defined_Atom_Stereo_Count	0
24182914	Hydrogen_Bond_Donor_Count	0
44310707	Mono_Isotopic_Weight	375.21580641
10532	Mono_Isotopic_Weight	535.17221
10774305	Covalent_Unit_Count	1
750204	Covalent_Unit_Count	1
6433718	Undefined_Atom_Stereo_Count	0
36812	Total_Formal_Charge	0
11759286	Structure_Complexity	421
16736529	Molecular_Weight	318.76
10424358	Hydrogen_Bond_Donor_Count	3
19999	Total_Formal_Charge	0
4513	Exact_Mass	331.11366728
37094	Defined_Atom_Stereo_Count	1
53817666	Structure_Complexity	74.5
123377064	Rotatable_Bond_Count	0
62277	Hydrogen_Bond_Acceptor_Count	7
11405875	Hydrogen_Bond_Donor_Count	1
11556711	Rotatable_Bond_Count	20
81358402	Total_Formal_Charge	0
57393918	Hydrogen_Bond_Acceptor_Count	4
54572926	Total_Formal_Charge	0
78931	Hydrogen_Bond_Acceptor_Count	2
40479693	Covalent_Unit_Count	1
6971096	Undefined_Bond_Stereo_Count	0
69340519	XLogP3-AA	0.4
6444834	Defined_Atom_Stereo_Count	0
5152	Undefined_Atom_Stereo_Count	1
443939	Isotope_Atom_Count	0
62705689	Structure_Complexity	741
10660	Exact_Mass	469.1880675
22563957	XLogP3-AA	2
148119	Hydrogen_Bond_Donor_Count	2
9578005	Isotope_Atom_Count	0
9886249	Structure_Complexity	698
9280	Rotatable_Bond_Count	4
150994	Structure_Complexity	183
21599	Defined_Bond_Stereo_Count	0
29510	Non-hydrogen_Atom_Count	11
3611397	Undefined_Bond_Stereo_Count	0
11604525	Undefined_Atom_Stereo_Count	0
132940892	Rotatable_Bond_Count	10
13661819	Mono_Isotopic_Weight	98.073164938
6918078	Rotatable_Bond_Count	8
17884	XLogP3-AA	3.4
737375	Hydrogen_Bond_Donor_Count	2
25588	Covalent_Unit_Count	1
12733	Tautomer_Count	1
8877	Structure_Complexity	228
12475877	Mono_Isotopic_Weight	120.02450067
129	Covalent_Unit_Count	1
98723	Undefined_Bond_Stereo_Count	0
12734620	Molecular_Weight	126.20
23892	Defined_Atom_Stereo_Count	0
10548	XLogP3	1
11469057	Covalent_Unit_Count	1
10129907	Undefined_Atom_Stereo_Count	0
123264207	Undefined_Bond_Stereo_Count	0
57392871	Rotatable_Bond_Count	6
75357255	Rotatable_Bond_Count	1
518605	Non-hydrogen_Atom_Count	10
97234	XLogP3	1.4
44183569	TPSA	168
3991	Structure_Complexity	271
9829162	Hydrogen_Bond_Acceptor_Count	6
151092	Rotatable_Bond_Count	9
77780	Total_Formal_Charge	0
11305985	Non-hydrogen_Atom_Count	34
36255	Undefined_Bond_Stereo_Count	0
69663	Hydrogen_Bond_Acceptor_Count	2
77	Exact_Mass	176.06847348
21118312	Isotope_Atom_Count	0
137349890	Hydrogen_Bond_Acceptor_Count	4
101417708	Undefined_Atom_Stereo_Count	1
8468	Defined_Atom_Stereo_Count	0
331531	Structure_Complexity	167
29800	Undefined_Bond_Stereo_Count	0
72326	Structure_Complexity	786
181511	TPSA	40.5
73820465	Hydrogen_Bond_Donor_Count	2
123462301	TPSA	48
20590622	Rotatable_Bond_Count	0
129446563	Molecular_Weight	416.6
91465979	Hydrogen_Bond_Acceptor_Count	3
5792	Undefined_Bond_Stereo_Count	0
477	Mono_Isotopic_Weight	499.92871165
19986922	Defined_Bond_Stereo_Count	0
77408	Tautomer_Count	1
3611392	TPSA	0
8581	Covalent_Unit_Count	1
16907	Defined_Bond_Stereo_Count	0
23700068	Isotope_Atom_Count	0
7291	Hydrogen_Bond_Donor_Count	3
1676	Undefined_Atom_Stereo_Count	0
58737	Hydrogen_Bond_Acceptor_Count	2
135522417	Undefined_Bond_Stereo_Count	0
4713215	Covalent_Unit_Count	1
66105	TPSA	0
21916	Hydrogen_Bond_Acceptor_Count	2
77927	Undefined_Atom_Stereo_Count	0
17652	Tautomer_Count	1
123600	Non-hydrogen_Atom_Count	17
364836	Structure_Complexity	117
16760595	Undefined_Atom_Stereo_Count	0
57656869	Structure_Complexity	514
130028471	Non-hydrogen_Atom_Count	8
18626413	Non-hydrogen_Atom_Count	8
9547261	Hydrogen_Bond_Acceptor_Count	3
16007393	Isotope_Atom_Count	0
160205454	Exact_Mass	284.16237386
53856389	Defined_Atom_Stereo_Count	0
1354	Structure_Complexity	246
6971042	Covalent_Unit_Count	1
63011	Mono_Isotopic_Weight	382.0931640
14265921	Undefined_Bond_Stereo_Count	0
88255060	Defined_Atom_Stereo_Count	4
357	Exact_Mass	217.903761
136130	Structure_Complexity	22.8
107807	Defined_Bond_Stereo_Count	0
40030	Defined_Atom_Stereo_Count	0
281459	Structure_Complexity	136
56679083	Undefined_Atom_Stereo_Count	0
8032	Undefined_Bond_Stereo_Count	0
5282706	Non-hydrogen_Atom_Count	7
14570	Covalent_Unit_Count	1
16036825	Structure_Complexity	499
71359012	Exact_Mass	110.073164938
6541	Rotatable_Bond_Count	8
53494828	Undefined_Bond_Stereo_Count	0
442431	Hydrogen_Bond_Donor_Count	8
56619338	TPSA	117
138961	XLogP3-AA	1.1
49436	Rotatable_Bond_Count	6
7883	Undefined_Atom_Stereo_Count	0
7073	Hydrogen_Bond_Donor_Count	2
14284	Hydrogen_Bond_Donor_Count	0
88948	Defined_Atom_Stereo_Count	0
117682783	Exact_Mass	284.16237386
53415115	Hydrogen_Bond_Donor_Count	1
23638	Undefined_Bond_Stereo_Count	0
57208108	Undefined_Atom_Stereo_Count	0
24883735	Defined_Bond_Stereo_Count	0
12618861	XLogP3-AA	0.3
25123	Defined_Atom_Stereo_Count	0
56668818	Total_Formal_Charge	0
52931497	Defined_Atom_Stereo_Count	10
69592	Undefined_Bond_Stereo_Count	1
69340339	Rotatable_Bond_Count	1
143500	Undefined_Atom_Stereo_Count	0
23940	TPSA	0
7042	Molecular_Weight	128.13
442872	Rotatable_Bond_Count	0
852189	Exact_Mass	283.12421471
5858	Exact_Mass	302.224580195
135438121	Tautomer_Count	5
6297	Undefined_Atom_Stereo_Count	0
9895694	TPSA	101
89311	Undefined_Atom_Stereo_Count	1
149798	Isotope_Atom_Count	0
123645524	Mono_Isotopic_Weight	1201.84136802
21328181	Total_Formal_Charge	0
65923	Rotatable_Bond_Count	2
58851	Hydrogen_Bond_Donor_Count	1
6999977	XLogP3-AA	1.1
179344	Defined_Bond_Stereo_Count	0
25833	Non-hydrogen_Atom_Count	6
54676478	Hydrogen_Bond_Acceptor_Count	3
52950127	Hydrogen_Bond_Donor_Count	1
9823781	Defined_Bond_Stereo_Count	0
70092	Defined_Bond_Stereo_Count	0
1243	Structure_Complexity	318
11355455	Undefined_Bond_Stereo_Count	0
126969152	Molecular_Weight	837.0
6918172	Isotope_Atom_Count	0
21470208	Hydrogen_Bond_Donor_Count	2
10498206	Mono_Isotopic_Weight	352.215078140
53290	Undefined_Atom_Stereo_Count	0
50942697	Hydrogen_Bond_Donor_Count	2
23675312	Structure_Complexity	713
87348	Mono_Isotopic_Weight	332.10840961
69347707	Hydrogen_Bond_Acceptor_Count	5
90695524	TPSA	0
11269429	Non-hydrogen_Atom_Count	29
25256832	Undefined_Atom_Stereo_Count	0
44590402	Mono_Isotopic_Weight	396.20490738
2456	Molecular_Weight	247.31
69079	Covalent_Unit_Count	1
121630	Exact_Mass	99.068413911
23712865	Hydrogen_Bond_Donor_Count	0
13020083	Covalent_Unit_Count	3
156497240	Total_Formal_Charge	0
68702	Molecular_Weight	266.30
11488817	XLogP3-AA	2.7
448979	Exact_Mass	361.0328700
3365553	Isotope_Atom_Count	0
8987	Molecular_Weight	149.3
533848	Hydrogen_Bond_Donor_Count	1
19920	Undefined_Bond_Stereo_Count	0
61100	Undefined_Bond_Stereo_Count	0
39738	Rotatable_Bond_Count	0
5047019	Exact_Mass	167.03443370
293	Total_Formal_Charge	0
15004706	Mono_Isotopic_Weight	104.094963011
54216748	TPSA	61.1
138122	Mono_Isotopic_Weight	41.026549100
24385	Isotope_Atom_Count	0
983	Exact_Mass	257.90955735
19309	Tautomer_Count	7
19870792	Covalent_Unit_Count	1
6917985	Hydrogen_Bond_Donor_Count	2
3586	TPSA	70.1
66260	Isotope_Atom_Count	0
11450633	Covalent_Unit_Count	1
71616	Undefined_Atom_Stereo_Count	0
118665446	Mono_Isotopic_Weight	112.052429494
5311055	Undefined_Atom_Stereo_Count	0
12538241	Hydrogen_Bond_Acceptor_Count	3
54399	Tautomer_Count	2
407032	Total_Formal_Charge	0
8340	Exact_Mass	353.12632271
169682	TPSA	94.6
72172	Total_Formal_Charge	0
123969926	Undefined_Bond_Stereo_Count	0
54758309	Undefined_Bond_Stereo_Count	0
45484851	Molecular_Weight	419.7
5805243	Undefined_Atom_Stereo_Count	0
22037858	Hydrogen_Bond_Donor_Count	1
123097	Exact_Mass	79.0532269373
29935	TPSA	23.8
11542782	Isotope_Atom_Count	0
15787	Non-hydrogen_Atom_Count	18
129848458	Structure_Complexity	525
11675641	Undefined_Atom_Stereo_Count	0
44205191	Mono_Isotopic_Weight	308.12846858
969212	Defined_Atom_Stereo_Count	2
558521	Tautomer_Count	3
14647552	Molecular_Weight	133.23
10087998	Undefined_Bond_Stereo_Count	0
4554	Mono_Isotopic_Weight	317.93445
220878	Isotope_Atom_Count	0
46304	Defined_Atom_Stereo_Count	0
2442	XLogP3-AA	4.3
3855171	Mono_Isotopic_Weight	246.96609661
31423	Rotatable_Bond_Count	0
8648	Undefined_Atom_Stereo_Count	2
74041114	TPSA	0
163934	Molecular_Weight	170.25
153950445	Total_Formal_Charge	0
45479834	Defined_Bond_Stereo_Count	0
10712	Mono_Isotopic_Weight	342.11621151
8797	Covalent_Unit_Count	1
78802	Isotope_Atom_Count	0
44187	TPSA	271
4359	Total_Formal_Charge	0
2130	Structure_Complexity	144
11538455	Structure_Complexity	533
628421	Defined_Bond_Stereo_Count	0
1140	Undefined_Atom_Stereo_Count	0
57461895	Hydrogen_Bond_Donor_Count	2
15982407	Total_Formal_Charge	0
14577080	Covalent_Unit_Count	1
43095	Hydrogen_Bond_Acceptor_Count	2
72758	TPSA	41.5
5287958	Defined_Atom_Stereo_Count	8
54897	Exact_Mass	403.1218178
46945256	Hydrogen_Bond_Donor_Count	3
9967055	Hydrogen_Bond_Donor_Count	1
19432668	Total_Formal_Charge	0
50538	Molecular_Weight	328.3
8470	Structure_Complexity	31.7
442294	Mono_Isotopic_Weight	264.13615911
56668820	Exact_Mass	377.13103142
88211	Non-hydrogen_Atom_Count	5
5257090	Structure_Complexity	349
11247	Mono_Isotopic_Weight	263.98773
13916	Mono_Isotopic_Weight	255.9806328
5052860	Undefined_Bond_Stereo_Count	0
61664	Hydrogen_Bond_Donor_Count	0
24900942	TPSA	128
15286	Defined_Atom_Stereo_Count	0
1069	Total_Formal_Charge	0
67656913	Undefined_Bond_Stereo_Count	0
228006	Hydrogen_Bond_Donor_Count	0
9794159	Rotatable_Bond_Count	6
7180	Hydrogen_Bond_Acceptor_Count	3
2816576	Structure_Complexity	583
9991	Isotope_Atom_Count	0
11388	Hydrogen_Bond_Donor_Count	1
13627693	Isotope_Atom_Count	0
15561101	Molecular_Weight	172.18
37251	Defined_Bond_Stereo_Count	0
3094	XLogP3-AA	6.6
656013	Undefined_Atom_Stereo_Count	0
24868263	Mono_Isotopic_Weight	351.21714909
5284553	Hydrogen_Bond_Acceptor_Count	12
69511	Exact_Mass	196.088815002
85610	Structure_Complexity	56
54675842	Defined_Bond_Stereo_Count	0
5399	Undefined_Bond_Stereo_Count	3
905275	Isotope_Atom_Count	0
135478809	Defined_Bond_Stereo_Count	0
66316	Defined_Bond_Stereo_Count	0
5353495	Rotatable_Bond_Count	10
4445035	Undefined_Bond_Stereo_Count	0
10042953	Total_Formal_Charge	0
890907	Molecular_Weight	250.29
11083822	Mono_Isotopic_Weight	84.057514874
14168316	Undefined_Bond_Stereo_Count	0
61282	Undefined_Bond_Stereo_Count	0
15950	Defined_Bond_Stereo_Count	0
123351	TPSA	74.3
58473795	Defined_Bond_Stereo_Count	0
6745	Exact_Mass	414.386166214
100641	Total_Formal_Charge	0
18684619	TPSA	0
20696068	Isotope_Atom_Count	0
1325	Rotatable_Bond_Count	12
7802604	Isotope_Atom_Count	0
551387	Rotatable_Bond_Count	6
86042	Hydrogen_Bond_Donor_Count	2
25199597	Undefined_Bond_Stereo_Count	0
13776	Defined_Bond_Stereo_Count	0
123934238	Mono_Isotopic_Weight	114.068079557
3118	Rotatable_Bond_Count	9
129796414	Mono_Isotopic_Weight	177.02483502
9299	Covalent_Unit_Count	1
22421116	Hydrogen_Bond_Acceptor_Count	1
65605	XLogP3	2.6
2581	Undefined_Bond_Stereo_Count	0
71107	Mono_Isotopic_Weight	426.12494298
651290	Structure_Complexity	361
271218	Non-hydrogen_Atom_Count	9
129853	Undefined_Atom_Stereo_Count	1
144008101	Exact_Mass	98.084398327
44345559	Exact_Mass	666.39337685
15558051	Undefined_Atom_Stereo_Count	0
96344	Hydrogen_Bond_Donor_Count	0
5710148	Covalent_Unit_Count	1
11690378	Structure_Complexity	624
60152109	TPSA	95.1
5639	Total_Formal_Charge	0
71978	TPSA	277
35901875	Exact_Mass	387.14192803
178024	Rotatable_Bond_Count	8
24848232	Exact_Mass	200.11091037
75211	Exact_Mass	313.18216827
69430	Undefined_Atom_Stereo_Count	0
118975693	XLogP3-AA	0.2
15547628	Undefined_Atom_Stereo_Count	0
7834	Total_Formal_Charge	0
82140	Covalent_Unit_Count	1
6829	Tautomer_Count	1
5652	XLogP3-AA	2.9
15721166	Rotatable_Bond_Count	1
457928	Isotope_Atom_Count	0
103656	Hydrogen_Bond_Donor_Count	1
40652	Hydrogen_Bond_Acceptor_Count	6
20203832	Covalent_Unit_Count	1
58642	Undefined_Bond_Stereo_Count	0
342238	Defined_Atom_Stereo_Count	0
23690437	Covalent_Unit_Count	2
44406	Defined_Atom_Stereo_Count	0
155903698	Covalent_Unit_Count	1
134250232	Hydrogen_Bond_Acceptor_Count	2
4355	Isotope_Atom_Count	0
54472110	Undefined_Atom_Stereo_Count	0
15766	Defined_Atom_Stereo_Count	0
10384666	Undefined_Bond_Stereo_Count	0
67511	Hydrogen_Bond_Donor_Count	0
449107	Defined_Atom_Stereo_Count	2
45934626	Covalent_Unit_Count	1
11249084	Undefined_Atom_Stereo_Count	0
207292	Hydrogen_Bond_Acceptor_Count	1
123966192	Mono_Isotopic_Weight	94.078250319
9803788	XLogP3-AA	4.1
8098	Isotope_Atom_Count	0
5744890	Defined_Atom_Stereo_Count	0
18673160	XLogP3-AA	3.4
24721540	Hydrogen_Bond_Acceptor_Count	18
53424410	Hydrogen_Bond_Donor_Count	2
7020094	Rotatable_Bond_Count	7
53364498	Molecular_Weight	519.6
19918	Mono_Isotopic_Weight	218.105527694
440466	Undefined_Bond_Stereo_Count	0
130905498	Undefined_Bond_Stereo_Count	0
97740	Non-hydrogen_Atom_Count	16
60196330	Defined_Atom_Stereo_Count	1
24900685	Undefined_Bond_Stereo_Count	0
11115983	Covalent_Unit_Count	1
6426685	Total_Formal_Charge	0
136213033	Exact_Mass	306.16588839
8562	Isotope_Atom_Count	0
138510	Total_Formal_Charge	0
19695001	Isotope_Atom_Count	0
155903765	Hydrogen_Bond_Donor_Count	4
2766	Undefined_Bond_Stereo_Count	1
22833326	Isotope_Atom_Count	0
11528337	XLogP3-AA	0.7
4122814	Defined_Atom_Stereo_Count	0
9283	Rotatable_Bond_Count	3
86595083	Isotope_Atom_Count	0
95961	Molecular_Weight	140.14
6361	Hydrogen_Bond_Acceptor_Count	0
135411	TPSA	57.5
2216	TPSA	62.4
53326032	Exact_Mass	264.089877630
52942030	Exact_Mass	437.19148337
20827794	Hydrogen_Bond_Acceptor_Count	0
5929	Structure_Complexity	97.7
49792792	Defined_Atom_Stereo_Count	0
2795565	Tautomer_Count	1
21617086	TPSA	50.1
71332025	Total_Formal_Charge	0
3084049	Structure_Complexity	1300
54595803	Structure_Complexity	59.1
57507663	Hydrogen_Bond_Donor_Count	0
56613357	Rotatable_Bond_Count	0
14444485	Hydrogen_Bond_Acceptor_Count	7
19690565	Total_Formal_Charge	0
12542	Undefined_Bond_Stereo_Count	0
8579	Structure_Complexity	299
2833	Undefined_Atom_Stereo_Count	1
3425	Isotope_Atom_Count	0
94411	Tautomer_Count	7
94034	Covalent_Unit_Count	1
78858	Total_Formal_Charge	0
75090	Defined_Atom_Stereo_Count	0
75430	Defined_Atom_Stereo_Count	0
80642	Tautomer_Count	1
573612	Undefined_Atom_Stereo_Count	0
135398570	Rotatable_Bond_Count	1
20055414	TPSA	37.2
54143259	Mono_Isotopic_Weight	98.073164938
644006	Undefined_Bond_Stereo_Count	0
21255244	Hydrogen_Bond_Acceptor_Count	3
443940	Defined_Bond_Stereo_Count	0
10950142	Undefined_Bond_Stereo_Count	0
52905	Covalent_Unit_Count	2
37251	Defined_Atom_Stereo_Count	0
54680085	TPSA	66.8
642765	Isotope_Atom_Count	0
89300333	Hydrogen_Bond_Acceptor_Count	1
134813605	Undefined_Atom_Stereo_Count	2
11690372	Total_Formal_Charge	0
130035101	Isotope_Atom_Count	0
98887	Mono_Isotopic_Weight	142.099379685
50914976	XLogP3-AA	1.4
88924436	Undefined_Bond_Stereo_Count	0
66069	TPSA	31.8
26248	TPSA	124
10796703	TPSA	12
7212	Hydrogen_Bond_Acceptor_Count	0
7146288	Defined_Atom_Stereo_Count	1
272714	Non-hydrogen_Atom_Count	7
23677676	Non-hydrogen_Atom_Count	11
11675994	Defined_Bond_Stereo_Count	0
163677749	Hydrogen_Bond_Donor_Count	0
91272	Covalent_Unit_Count	1
4494	Tautomer_Count	5
49789564	Non-hydrogen_Atom_Count	21
16050932	XLogP3-AA	3.1
61389	Structure_Complexity	971
589615	Molecular_Weight	146.15
119146	Total_Formal_Charge	0
12074193	Isotope_Atom_Count	0
25474	Total_Formal_Charge	0
6433082	Isotope_Atom_Count	0
57399651	Hydrogen_Bond_Acceptor_Count	6
4075	Rotatable_Bond_Count	1
118010650	Rotatable_Bond_Count	2
148184759	Undefined_Bond_Stereo_Count	0
118723025	Hydrogen_Bond_Acceptor_Count	6
15741634	Molecular_Weight	101.19
135409409	Hydrogen_Bond_Acceptor_Count	6
378532	Molecular_Weight	206.15
80168	Undefined_Atom_Stereo_Count	0
14805639	XLogP3-AA	1.6
2825062	Non-hydrogen_Atom_Count	41
751	Rotatable_Bond_Count	2
23432895	Defined_Bond_Stereo_Count	0
16562	Structure_Complexity	253
13037933	Exact_Mass	1201.84136802
129636048	Defined_Atom_Stereo_Count	6
10465	Undefined_Bond_Stereo_Count	0
12489866	Rotatable_Bond_Count	2
102513886	TPSA	50
185698	Hydrogen_Bond_Donor_Count	5
80980	Isotope_Atom_Count	0
53326156	Total_Formal_Charge	0
13200033	Hydrogen_Bond_Donor_Count	2
1548955	Defined_Bond_Stereo_Count	1
66982	Hydrogen_Bond_Acceptor_Count	1
68510675	Hydrogen_Bond_Acceptor_Count	6
538433	Tautomer_Count	1
444302	Hydrogen_Bond_Acceptor_Count	5
12257272	Rotatable_Bond_Count	1
54708299	Hydrogen_Bond_Donor_Count	2
19606581	Hydrogen_Bond_Acceptor_Count	4
18173271	Isotope_Atom_Count	0
428573	Structure_Complexity	254
10419146	Hydrogen_Bond_Acceptor_Count	1
47716	Covalent_Unit_Count	1
40467346	Total_Formal_Charge	1
63002	Non-hydrogen_Atom_Count	38
20207	Defined_Atom_Stereo_Count	0
5353431	Mono_Isotopic_Weight	207.03539970
88250	Hydrogen_Bond_Acceptor_Count	4
15657909	Defined_Atom_Stereo_Count	0
6618895	Structure_Complexity	479
5282203	Hydrogen_Bond_Acceptor_Count	3
53346495	Hydrogen_Bond_Donor_Count	2
5288269	Total_Formal_Charge	0
100308	Defined_Atom_Stereo_Count	2
90725416	Exact_Mass	904.44565070
91662	Defined_Bond_Stereo_Count	0
122361733	Rotatable_Bond_Count	3
1490	XLogP3	3.9
16732454	Isotope_Atom_Count	0
38853	Undefined_Bond_Stereo_Count	0
9894291	Structure_Complexity	459
55276371	Hydrogen_Bond_Donor_Count	0
7652	Hydrogen_Bond_Donor_Count	0
8258	Tautomer_Count	1
165412951	Undefined_Bond_Stereo_Count	0
68722	Molecular_Weight	370.8
193953	Total_Formal_Charge	0
13195837	Undefined_Atom_Stereo_Count	2
12113	Hydrogen_Bond_Acceptor_Count	3
142482	Defined_Bond_Stereo_Count	0
12295520	Undefined_Atom_Stereo_Count	0
83815	Rotatable_Bond_Count	2
87527186	Structure_Complexity	102
9849925	Undefined_Bond_Stereo_Count	0
11364	Hydrogen_Bond_Acceptor_Count	1
31250	TPSA	77.9
9818540	TPSA	45.3
55287853	Rotatable_Bond_Count	2
6488	Tautomer_Count	5
2537	Undefined_Atom_Stereo_Count	2
12801	Structure_Complexity	222
67317342	Hydrogen_Bond_Donor_Count	1
132980806	Isotope_Atom_Count	0
73154880	Defined_Bond_Stereo_Count	0
3021	Rotatable_Bond_Count	6
4432	Hydrogen_Bond_Acceptor_Count	3
228006	Molecular_Weight	195.05
12400910	Undefined_Atom_Stereo_Count	0
98207156	Hydrogen_Bond_Acceptor_Count	11
71580822	Rotatable_Bond_Count	5
858	TPSA	29.6
12342	Undefined_Bond_Stereo_Count	0
54246209	Defined_Atom_Stereo_Count	0
2105	Undefined_Bond_Stereo_Count	0
13268157	Covalent_Unit_Count	1
3983	Rotatable_Bond_Count	24
119086019	Undefined_Bond_Stereo_Count	0
71455276	Undefined_Bond_Stereo_Count	0
12642447	Total_Formal_Charge	0
129808802	TPSA	26
147165509	Covalent_Unit_Count	1
17844769	Undefined_Bond_Stereo_Count	0
439195	Structure_Complexity	117
40510	Undefined_Atom_Stereo_Count	0
156617849	Isotope_Atom_Count	0
151592	Covalent_Unit_Count	1
11105318	Undefined_Bond_Stereo_Count	0
23687810	Covalent_Unit_Count	2
19803703	Covalent_Unit_Count	1
177976	Defined_Bond_Stereo_Count	0
117295	Defined_Bond_Stereo_Count	0
125027416	Rotatable_Bond_Count	3
4695	Undefined_Bond_Stereo_Count	0
129692694	Hydrogen_Bond_Donor_Count	0
64334	Total_Formal_Charge	0
24848235	Structure_Complexity	336
159169	Rotatable_Bond_Count	0
14720269	Defined_Atom_Stereo_Count	0
317459	Mono_Isotopic_Weight	114.104465066
146682056	Total_Formal_Charge	0
9880	XLogP3-AA	3.6
68396089	Non-hydrogen_Atom_Count	8
6473973	Hydrogen_Bond_Acceptor_Count	14
7516	Covalent_Unit_Count	1
21870	Total_Formal_Charge	0
76153	Mono_Isotopic_Weight	124.063662883
5479141	Isotope_Atom_Count	0
25644	Undefined_Bond_Stereo_Count	0
95269	Molecular_Weight	118.13
5289382	Hydrogen_Bond_Donor_Count	7
135402338	Undefined_Atom_Stereo_Count	0
10160166	Hydrogen_Bond_Donor_Count	1
573419	Molecular_Weight	110.11
72214	Hydrogen_Bond_Acceptor_Count	7
18213	Total_Formal_Charge	0
10866300	Defined_Atom_Stereo_Count	0
6867	Mono_Isotopic_Weight	203.094628657
94153	Defined_Bond_Stereo_Count	0
151172	Tautomer_Count	11
54586718	Defined_Bond_Stereo_Count	0
98735	Undefined_Atom_Stereo_Count	0
8695	Molecular_Weight	300.82
53276	XLogP3-AA	2.4
6473739	Undefined_Atom_Stereo_Count	1
36218	Total_Formal_Charge	0
5360237	Hydrogen_Bond_Acceptor_Count	19
11952	Undefined_Bond_Stereo_Count	0
13927605	Non-hydrogen_Atom_Count	6
4066	Exact_Mass	322.15036988
60028369	Mono_Isotopic_Weight	153.151749610
67178850	Non-hydrogen_Atom_Count	7
118988662	Molecular_Weight	591.1
17730	Hydrogen_Bond_Donor_Count	1
85760873	TPSA	0
321054	Molecular_Weight	486.5
10560336	Mono_Isotopic_Weight	173.107873423
60196321	Mono_Isotopic_Weight	388.1917559
6973628	Isotope_Atom_Count	0
5384293	Hydrogen_Bond_Donor_Count	0
520301	Rotatable_Bond_Count	1
21093792	Defined_Atom_Stereo_Count	0
54332784	Total_Formal_Charge	0
11626920	Covalent_Unit_Count	1
151446	Undefined_Atom_Stereo_Count	1
9570327	Covalent_Unit_Count	1
3080818	Hydrogen_Bond_Acceptor_Count	4
5284656	Total_Formal_Charge	0
105427130	Structure_Complexity	77.7
3651377	Mono_Isotopic_Weight	471.1998782
1547484	Defined_Atom_Stereo_Count	0
7850	Hydrogen_Bond_Donor_Count	0
20488107	XLogP3-AA	1.3
40703	Exact_Mass	591.13818
10887885	Rotatable_Bond_Count	0
46738768	Non-hydrogen_Atom_Count	11
54605501	Mono_Isotopic_Weight	497.21513732
84152	Mono_Isotopic_Weight	132.078644241
71484	Rotatable_Bond_Count	6
71678916	Structure_Complexity	688
155804760	Defined_Bond_Stereo_Count	0
12264	Covalent_Unit_Count	1
23627460	Hydrogen_Bond_Donor_Count	3
9813119	Tautomer_Count	1
14758064	Mono_Isotopic_Weight	131.048347172
9020	Hydrogen_Bond_Donor_Count	0
3914	Hydrogen_Bond_Donor_Count	2
145948323	Defined_Atom_Stereo_Count	4
8276	Defined_Atom_Stereo_Count	0
970648	Exact_Mass	327.10414797
13037814	Total_Formal_Charge	0
2735001	Undefined_Atom_Stereo_Count	1
11455910	Isotope_Atom_Count	0
53316417	Structure_Complexity	446
15790	TPSA	27.6
10021783	Isotope_Atom_Count	0
9585	Structure_Complexity	143
90479798	Defined_Bond_Stereo_Count	0
4809	Molecular_Weight	588.7
69684	Mono_Isotopic_Weight	142.110613074
54084075	Non-hydrogen_Atom_Count	23
54595803	Covalent_Unit_Count	1
2771917	Undefined_Bond_Stereo_Count	0
67494396	TPSA	79.8
132082520	Exact_Mass	108.057514874
29936	Hydrogen_Bond_Acceptor_Count	0
8560	Undefined_Bond_Stereo_Count	0
81650	Tautomer_Count	1
13104807	Rotatable_Bond_Count	2
66558858	Hydrogen_Bond_Donor_Count	2
85960	Rotatable_Bond_Count	11
11601	Structure_Complexity	29.3
12850184	Molecular_Weight	426.34
565424	Non-hydrogen_Atom_Count	10
20812	Molecular_Weight	157.55
14200857	Hydrogen_Bond_Donor_Count	0
52946915	Defined_Bond_Stereo_Count	1
12750	Molecular_Weight	83.13
10953	Exact_Mass	100.052429494
4250936	Hydrogen_Bond_Acceptor_Count	1
568783	Rotatable_Bond_Count	2
3236	Mono_Isotopic_Weight	259.193614421
85328	Covalent_Unit_Count	1
54594759	Covalent_Unit_Count	1
12285877	Non-hydrogen_Atom_Count	12
372	Non-hydrogen_Atom_Count	13
25495	Structure_Complexity	1020
94182	Tautomer_Count	1
8363	Rotatable_Bond_Count	4
238498	Undefined_Atom_Stereo_Count	0
44319	XLogP3-AA	5.6
3017698	Isotope_Atom_Count	0
1417	Defined_Atom_Stereo_Count	0
54247939	Molecular_Weight	111.14
10252	Defined_Bond_Stereo_Count	0
75091	Structure_Complexity	160
46911956	Covalent_Unit_Count	1
129827453	Structure_Complexity	387
101743775	Hydrogen_Bond_Donor_Count	2
7560	Molecular_Weight	164.20
18622350	TPSA	35.3
70691388	Tautomer_Count	1001
31291	Defined_Atom_Stereo_Count	0
22411865	Defined_Bond_Stereo_Count	0
135421392	Structure_Complexity	793
92163	Undefined_Bond_Stereo_Count	0
79583	Structure_Complexity	283
15652148	Defined_Atom_Stereo_Count	0
15567	Hydrogen_Bond_Donor_Count	1
195906	Hydrogen_Bond_Acceptor_Count	2
45073621	Exact_Mass	98.03409409
525128	Defined_Bond_Stereo_Count	0
95745	Hydrogen_Bond_Acceptor_Count	3
85117	Defined_Atom_Stereo_Count	0
68604	TPSA	78.3
1550846	Mono_Isotopic_Weight	129.057849228
87280117	Defined_Bond_Stereo_Count	0
57656657	Exact_Mass	444.1903737
6732	Hydrogen_Bond_Donor_Count	0
65594	Structure_Complexity	374
34457	Hydrogen_Bond_Donor_Count	2
82718176	Molecular_Weight	116.16
161561	Hydrogen_Bond_Acceptor_Count	6
928685	TPSA	71.8
15992306	Covalent_Unit_Count	1
3058737	XLogP3	1.8
44392105	Covalent_Unit_Count	1
601	TPSA	92.4
134129845	Rotatable_Bond_Count	19
1712094	TPSA	47.9
3727	Hydrogen_Bond_Donor_Count	1
4916	Undefined_Bond_Stereo_Count	0
70267665	TPSA	41.1
97747	Molecular_Weight	254.41
13964915	Structure_Complexity	745
10066275	Rotatable_Bond_Count	3
101815863	Rotatable_Bond_Count	3
123875320	TPSA	0
130541995	Hydrogen_Bond_Donor_Count	0
61594	Covalent_Unit_Count	1
67615455	Undefined_Atom_Stereo_Count	2
6442842	Molecular_Weight	422.9
18628727	Covalent_Unit_Count	1
10678204	Hydrogen_Bond_Donor_Count	1
705935	Undefined_Bond_Stereo_Count	0
71625031	Molecular_Weight	487.6
5359371	Exact_Mass	283.193614421
12367843	Mono_Isotopic_Weight	108.093900383
2282	Covalent_Unit_Count	1
9554198	Undefined_Atom_Stereo_Count	2
53691700	Mono_Isotopic_Weight	117.078978594
219401	Non-hydrogen_Atom_Count	12
79665	Isotope_Atom_Count	0
3786	Molecular_Weight	233.29
556248	Mono_Isotopic_Weight	108.093900383
71750923	Isotope_Atom_Count	0
46205409	Rotatable_Bond_Count	16
5484736	Molecular_Weight	389.4
28207	Defined_Bond_Stereo_Count	0
5359967	Hydrogen_Bond_Donor_Count	0
96638024	Defined_Atom_Stereo_Count	0
7916	Hydrogen_Bond_Acceptor_Count	2
7642	Defined_Bond_Stereo_Count	0
534204	Molecular_Weight	96.13
129864969	Molecular_Weight	388.4
5288670	Covalent_Unit_Count	1
9866186	Defined_Bond_Stereo_Count	1
54840	Total_Formal_Charge	0
16005120	Molecular_Weight	93.13
34267	Defined_Atom_Stereo_Count	0
4940	Structure_Complexity	441
10926093	Hydrogen_Bond_Acceptor_Count	2
70702285	Hydrogen_Bond_Acceptor_Count	35
135013065	TPSA	31.2
135436533	Molecular_Weight	351.3
6420039	Non-hydrogen_Atom_Count	21
517414	TPSA	46.5
65493	Mono_Isotopic_Weight	302.11542367
10146470	Mono_Isotopic_Weight	670.22327384
59398673	Mono_Isotopic_Weight	96.021129366
5309446	Mono_Isotopic_Weight	361.1112531
61574	Undefined_Atom_Stereo_Count	0
135438424	Exact_Mass	649.04104222
135413511	Hydrogen_Bond_Donor_Count	1
20306902	Covalent_Unit_Count	1
54797	Defined_Bond_Stereo_Count	0
128423	Rotatable_Bond_Count	1
21699428	Molecular_Weight	109.13
5479787	Molecular_Weight	557.5
5318386	Tautomer_Count	1
19540	Hydrogen_Bond_Donor_Count	0
736366	Mono_Isotopic_Weight	202.05646950
2218	Tautomer_Count	3
16530	Exact_Mass	202.9904692
11767	Undefined_Atom_Stereo_Count	0
84567	Mono_Isotopic_Weight	692.092910
58795738	XLogP3-AA	0.6
11852	Structure_Complexity	150
5808883	Undefined_Bond_Stereo_Count	0
98047377	Exact_Mass	284.16237386
1550887	TPSA	26.3
643732	TPSA	74.6
71586929	Mono_Isotopic_Weight	281.990079
11539562	Hydrogen_Bond_Acceptor_Count	9
52942503	Rotatable_Bond_Count	5
60478	Molecular_Weight	312.7
53321035	Defined_Bond_Stereo_Count	1
6266	Hydrogen_Bond_Donor_Count	0
45120354	Undefined_Atom_Stereo_Count	2
166144333	Non-hydrogen_Atom_Count	8
57392502	Mono_Isotopic_Weight	446.30570466
91176619	Structure_Complexity	107
37906	Non-hydrogen_Atom_Count	17
6621	Structure_Complexity	306
20652033	Non-hydrogen_Atom_Count	7
76191	Non-hydrogen_Atom_Count	11
60966	Covalent_Unit_Count	2
587322	Rotatable_Bond_Count	6
8116	Tautomer_Count	1
6058	Undefined_Atom_Stereo_Count	0
456389	Defined_Bond_Stereo_Count	0
656902	Non-hydrogen_Atom_Count	21
448812	Covalent_Unit_Count	1
9547193	Mono_Isotopic_Weight	636.62091717
8259	Structure_Complexity	38.5
498650	Undefined_Bond_Stereo_Count	1
8795	Mono_Isotopic_Weight	129.126597491
280526	Defined_Atom_Stereo_Count	0
135882	Defined_Bond_Stereo_Count	0
9318	Molecular_Weight	405.1
21417787	TPSA	101
4687937	Total_Formal_Charge	0
24802075	Total_Formal_Charge	0
8644	Hydrogen_Bond_Acceptor_Count	8
3034010	XLogP3-AA	10
88267	Rotatable_Bond_Count	2
66053	Covalent_Unit_Count	1
205972	Undefined_Bond_Stereo_Count	0
31721	Undefined_Bond_Stereo_Count	0
68981	XLogP3-AA	0.9
317883	Defined_Atom_Stereo_Count	0
2396	Hydrogen_Bond_Donor_Count	2
21841	TPSA	104
16036825	Total_Formal_Charge	0
5281075	XLogP3	2.9
11953	Covalent_Unit_Count	1
162747	XLogP3-AA	2.3
1707	Isotope_Atom_Count	0
19063360	Total_Formal_Charge	0
25142042	Hydrogen_Bond_Acceptor_Count	4
725300	Structure_Complexity	434
56846451	Total_Formal_Charge	0
75588	Structure_Complexity	109
5280981	Hydrogen_Bond_Donor_Count	3
38282	Rotatable_Bond_Count	1
13601826	Structure_Complexity	50.1
5282545	XLogP3-AA	3.4
31193	Exact_Mass	113.903365
60795	Undefined_Atom_Stereo_Count	0
730852	Non-hydrogen_Atom_Count	24
67782238	Molecular_Weight	100.12
5342	XLogP3	2.3
70695757	Rotatable_Bond_Count	3
57400694	Undefined_Atom_Stereo_Count	0
15969	Hydrogen_Bond_Donor_Count	1
9434	Tautomer_Count	1
71453749	Non-hydrogen_Atom_Count	30
10046567	Non-hydrogen_Atom_Count	29
25015412	Rotatable_Bond_Count	7
11906	XLogP3	3.2
32575	Undefined_Bond_Stereo_Count	0
22661587	TPSA	3
68745835	Undefined_Atom_Stereo_Count	0
20825	Covalent_Unit_Count	1
11754770	Isotope_Atom_Count	0
53870	Non-hydrogen_Atom_Count	18
123966192	Covalent_Unit_Count	1
72959169	Undefined_Bond_Stereo_Count	1
16217526	Defined_Bond_Stereo_Count	0
82755	Rotatable_Bond_Count	2
2734163	Non-hydrogen_Atom_Count	13
361753	Isotope_Atom_Count	0
22385	Undefined_Bond_Stereo_Count	0
88314418	Non-hydrogen_Atom_Count	29
13860601	Molecular_Weight	114.19
59055623	Isotope_Atom_Count	0
32052	Defined_Bond_Stereo_Count	0
10952	Covalent_Unit_Count	1
11604	Hydrogen_Bond_Donor_Count	0
14960	Undefined_Atom_Stereo_Count	9
129010364	Structure_Complexity	1220
5491989	Defined_Atom_Stereo_Count	4
200638	Total_Formal_Charge	0
13694931	Non-hydrogen_Atom_Count	8
44368	Covalent_Unit_Count	1
425051	Rotatable_Bond_Count	0
23665037	Structure_Complexity	426
35020890	Covalent_Unit_Count	1
54519	Non-hydrogen_Atom_Count	23
129630288	Hydrogen_Bond_Donor_Count	8
167725	Rotatable_Bond_Count	0
89053239	Hydrogen_Bond_Donor_Count	0
75846	TPSA	76.4
9904746	Non-hydrogen_Atom_Count	19
21854522	Hydrogen_Bond_Acceptor_Count	18
72466	Mono_Isotopic_Weight	1511.4785360
68333315	Covalent_Unit_Count	1
25403	Undefined_Bond_Stereo_Count	0
14819036	TPSA	49.7
6660	Defined_Atom_Stereo_Count	0
12302694	Structure_Complexity	382
12251	Undefined_Bond_Stereo_Count	0
519449	Defined_Atom_Stereo_Count	0
61631	TPSA	26.3
21792545	Non-hydrogen_Atom_Count	17
590845	Mono_Isotopic_Weight	277.10266837
57392963	Hydrogen_Bond_Donor_Count	2
11081093	Isotope_Atom_Count	0
199543	Exact_Mass	108.021129366
18680274	Structure_Complexity	519
446284	Rotatable_Bond_Count	13
229387	TPSA	26.3
73102147	Rotatable_Bond_Count	2
22544	TPSA	15.6
98850	XLogP3-AA	0.6
49867936	Exact_Mass	516.0873659
70926	Molecular_Weight	213.3
2167	TPSA	247
12468306	TPSA	36.3
13860601	Isotope_Atom_Count	0
221	TPSA	177
512289	Undefined_Bond_Stereo_Count	0
13658	TPSA	46.5
76048	Covalent_Unit_Count	1
10756746	Molecular_Weight	302.28
91473751	Total_Formal_Charge	0
225711	Mono_Isotopic_Weight	102.068079557
49862628	Defined_Atom_Stereo_Count	0
55900	Non-hydrogen_Atom_Count	29
10434	Molecular_Weight	112.13
68809	Undefined_Bond_Stereo_Count	0
11076461	Undefined_Atom_Stereo_Count	0
18759351	Rotatable_Bond_Count	1
72165188	Tautomer_Count	4
24768019	Non-hydrogen_Atom_Count	34
6978	XLogP3	2
6849	TPSA	45.8
2972	Mono_Isotopic_Weight	139.063328530
64356	Rotatable_Bond_Count	2
86510	Rotatable_Bond_Count	0
23458177	TPSA	53.2
53260965	Isotope_Atom_Count	0
134150	Undefined_Atom_Stereo_Count	0
52948146	Rotatable_Bond_Count	5
954767	Total_Formal_Charge	0
55291103	Mono_Isotopic_Weight	114.042927438
13293130	XLogP3-AA	0
23521244	Hydrogen_Bond_Acceptor_Count	0
53893636	Molecular_Weight	83.13
62946	Undefined_Atom_Stereo_Count	0
159922	Undefined_Bond_Stereo_Count	0
177955	Hydrogen_Bond_Acceptor_Count	4
8101	TPSA	0
91716	Exact_Mass	298.07759887
5994	Molecular_Weight	314.5
122125	Undefined_Bond_Stereo_Count	0
2776282	Hydrogen_Bond_Donor_Count	1
16683012	Hydrogen_Bond_Donor_Count	15
6748	Non-hydrogen_Atom_Count	12
344793	Molecular_Weight	272.34
2734162	Exact_Mass	139.123523487
222284	Structure_Complexity	634
12648195	Molecular_Weight	99.17
77470	Tautomer_Count	3
6426742	Hydrogen_Bond_Acceptor_Count	7
283637	Undefined_Bond_Stereo_Count	0
449355	Hydrogen_Bond_Donor_Count	3
10290728	Total_Formal_Charge	0
613589	Isotope_Atom_Count	0
688107	Rotatable_Bond_Count	2
69808	Undefined_Atom_Stereo_Count	0
86742405	Mono_Isotopic_Weight	215.09060590
1929	Hydrogen_Bond_Donor_Count	1
123779724	Defined_Bond_Stereo_Count	0
92253	Non-hydrogen_Atom_Count	21
5360696	Undefined_Bond_Stereo_Count	0
339	Defined_Bond_Stereo_Count	0
1800	Exact_Mass	161.082721304
60363	Hydrogen_Bond_Donor_Count	0
80971	Hydrogen_Bond_Acceptor_Count	3
12074364	Isotope_Atom_Count	0
121945	Undefined_Bond_Stereo_Count	0
9800068	Total_Formal_Charge	0
431094	Hydrogen_Bond_Acceptor_Count	18
6918149	Hydrogen_Bond_Acceptor_Count	10
83895	Hydrogen_Bond_Donor_Count	2
57280	TPSA	37.6
66599893	Covalent_Unit_Count	1
59296033	Covalent_Unit_Count	1
3045	Defined_Bond_Stereo_Count	0
5281065	Defined_Atom_Stereo_Count	0
912	Non-hydrogen_Atom_Count	9
4423	Defined_Bond_Stereo_Count	0
24180719	Structure_Complexity	648
14619932	Hydrogen_Bond_Donor_Count	0
4727	Molecular_Weight	149.21
79341	TPSA	32.3
5252481	Total_Formal_Charge	0
90470	Exact_Mass	112.052429494
126969105	Rotatable_Bond_Count	5
6403	Mono_Isotopic_Weight	86.109550447
22899343	Isotope_Atom_Count	0
9570092	TPSA	57.9
53396306	Tautomer_Count	26
95456	Mono_Isotopic_Weight	117.078978594
6374	Non-hydrogen_Atom_Count	4
3035235	Undefined_Bond_Stereo_Count	0
7572	XLogP3	3
10046404	XLogP3-AA	5.2
3727	Covalent_Unit_Count	1
54581904	Undefined_Bond_Stereo_Count	0
11985	Hydrogen_Bond_Donor_Count	2
137735	TPSA	28.7
86278165	Isotope_Atom_Count	0
24765256	Tautomer_Count	4
69341308	Hydrogen_Bond_Acceptor_Count	2
548678	Molecular_Weight	109.13
25023837	Molecular_Weight	430.8
85820	XLogP3-AA	3.9
5282375	Covalent_Unit_Count	1
19040	Covalent_Unit_Count	1
11566378	Undefined_Bond_Stereo_Count	0
54583964	Undefined_Bond_Stereo_Count	0
107807	Hydrogen_Bond_Donor_Count	2
135400916	Hydrogen_Bond_Donor_Count	2
135515574	Defined_Atom_Stereo_Count	0
44563327	TPSA	102
56834578	Hydrogen_Bond_Acceptor_Count	8
547308	Covalent_Unit_Count	1
50901	Rotatable_Bond_Count	10
5005	TPSA	95.9
9984487	Hydrogen_Bond_Acceptor_Count	8
23708	Structure_Complexity	1770
7761	Isotope_Atom_Count	0
54686904	Structure_Complexity	1240
54150876	TPSA	64.6
32329	Undefined_Bond_Stereo_Count	0
91230338	Mono_Isotopic_Weight	110.109550447
39911	Mono_Isotopic_Weight	337.18892296
67849558	Molecular_Weight	111.14
5442	Hydrogen_Bond_Donor_Count	0
49798481	Mono_Isotopic_Weight	432.19098865
53	Isotope_Atom_Count	0
20952	Defined_Atom_Stereo_Count	0
101835694	Mono_Isotopic_Weight	94.078250319
5311211	XLogP3-AA	5
65670951	Hydrogen_Bond_Donor_Count	0
558526	Covalent_Unit_Count	1
56680325	Covalent_Unit_Count	1
13573329	Total_Formal_Charge	0
21932259	Rotatable_Bond_Count	3
19360868	Molecular_Weight	120.15
48199	Defined_Atom_Stereo_Count	0
72938	Molecular_Weight	389.4
94412	Hydrogen_Bond_Donor_Count	1
71840	Structure_Complexity	256
6510	Defined_Bond_Stereo_Count	0
66195	Mono_Isotopic_Weight	82.078250319
131801471	Molecular_Weight	7127
60196284	Non-hydrogen_Atom_Count	31
22061626	Non-hydrogen_Atom_Count	8
314195	Mono_Isotopic_Weight	110.073164938
9778	Total_Formal_Charge	0
62098	Rotatable_Bond_Count	3
65752	Rotatable_Bond_Count	0
146681950	Defined_Atom_Stereo_Count	18
447021	Total_Formal_Charge	0
810229	Isotope_Atom_Count	0
146159199	Defined_Atom_Stereo_Count	3
71411033	Hydrogen_Bond_Acceptor_Count	2
668081	Non-hydrogen_Atom_Count	24
170944	Undefined_Atom_Stereo_Count	0
163430538	Mono_Isotopic_Weight	112.088815002
129015152	Isotope_Atom_Count	0
54185	XLogP3-AA	2.6
929262	Molecular_Weight	250.38
7881	Defined_Atom_Stereo_Count	0
753040	Isotope_Atom_Count	0
15041624	Isotope_Atom_Count	0
4359436	Hydrogen_Bond_Acceptor_Count	2
87714328	Rotatable_Bond_Count	2
20165534	TPSA	51.8
12465658	Mono_Isotopic_Weight	102.068079557
59034276	Exact_Mass	180.06338810
102446	Non-hydrogen_Atom_Count	5
12155512	Mono_Isotopic_Weight	111.068413911
68385	Mono_Isotopic_Weight	424.1764997
272079	Non-hydrogen_Atom_Count	8
11512	Defined_Atom_Stereo_Count	0
16117309	Tautomer_Count	8
44565777	Undefined_Bond_Stereo_Count	0
1277665	Undefined_Bond_Stereo_Count	0
10308091	Defined_Bond_Stereo_Count	0
47932	Tautomer_Count	1
92333	Structure_Complexity	163
14833	Hydrogen_Bond_Acceptor_Count	3
11262	Defined_Bond_Stereo_Count	0
31242	Molecular_Weight	122.16
82261	Non-hydrogen_Atom_Count	12
185698	TPSA	110
27582	Structure_Complexity	120
125127453	Undefined_Atom_Stereo_Count	0
9848818	TPSA	132
7541	Tautomer_Count	3
6092	Non-hydrogen_Atom_Count	14
12200749	Undefined_Bond_Stereo_Count	0
20473	Molecular_Weight	196.34
51042	Defined_Atom_Stereo_Count	0
30039	Exact_Mass	296.1291556
22596604	Exact_Mass	205.159240289
164668700	Structure_Complexity	148
2418	Rotatable_Bond_Count	4
66082	Rotatable_Bond_Count	2
13396127	Total_Formal_Charge	0
15787996	Hydrogen_Bond_Acceptor_Count	4
11372270	Rotatable_Bond_Count	5
5486700	Undefined_Bond_Stereo_Count	0
92044408	Non-hydrogen_Atom_Count	101
3893	Molecular_Weight	200.32
194637	Exact_Mass	590.28930571
58887274	Molecular_Weight	114.19
58166	Tautomer_Count	2
19022	Exact_Mass	318.19221
65335	TPSA	31.5
12932	Rotatable_Bond_Count	10
9402	Hydrogen_Bond_Donor_Count	1
9929785	Covalent_Unit_Count	1
67472	Defined_Atom_Stereo_Count	0
61181	Undefined_Bond_Stereo_Count	0
24751	Defined_Bond_Stereo_Count	0
12794201	Defined_Atom_Stereo_Count	0
19870792	Hydrogen_Bond_Donor_Count	0
6918589	Covalent_Unit_Count	1
24847884	Undefined_Bond_Stereo_Count	0
24905149	Isotope_Atom_Count	0
10865248	Undefined_Bond_Stereo_Count	0
3533	Rotatable_Bond_Count	7
11636795	Defined_Atom_Stereo_Count	0
60196441	Undefined_Atom_Stereo_Count	0
5281878	Non-hydrogen_Atom_Count	30
40391	Hydrogen_Bond_Donor_Count	0
439263	TPSA	20.2
166486721	Total_Formal_Charge	0
3002	Defined_Bond_Stereo_Count	0
88257494	Mono_Isotopic_Weight	112.063662883
21792546	Rotatable_Bond_Count	4
23934	Structure_Complexity	0
24568	Non-hydrogen_Atom_Count	24
20256	Defined_Bond_Stereo_Count	0
23668002	Total_Formal_Charge	0
14116454	Mono_Isotopic_Weight	98.036779430
4768	Exact_Mass	303.1389920
2005	Structure_Complexity	156
687034	XLogP3-AA	3.7
97012112	Undefined_Bond_Stereo_Count	0
89164217	Hydrogen_Bond_Acceptor_Count	2
62724	Undefined_Bond_Stereo_Count	0
113	Exact_Mass	213.98785418
12363650	Isotope_Atom_Count	0
116225458	Exact_Mass	112.088815002
4350929	Undefined_Bond_Stereo_Count	0
91747	Isotope_Atom_Count	0
11215	Hydrogen_Bond_Acceptor_Count	0
24180695	Defined_Atom_Stereo_Count	0
9821690	Defined_Bond_Stereo_Count	0
130121992	Hydrogen_Bond_Acceptor_Count	3
81869	Hydrogen_Bond_Donor_Count	0
9793696	Hydrogen_Bond_Acceptor_Count	2
164608	Molecular_Weight	131.17
593843	Hydrogen_Bond_Acceptor_Count	3
5281167	Hydrogen_Bond_Acceptor_Count	1
54399	Non-hydrogen_Atom_Count	31
62016	Rotatable_Bond_Count	14
13019062	Covalent_Unit_Count	1
129688356	Hydrogen_Bond_Donor_Count	4
10231	XLogP3-AA	2.7
721456	Undefined_Bond_Stereo_Count	0
90877284	Isotope_Atom_Count	0
78440	Molecular_Weight	362.4
109198	Defined_Atom_Stereo_Count	0
5587	Undefined_Bond_Stereo_Count	0
4906	Hydrogen_Bond_Donor_Count	2
22020761	Defined_Bond_Stereo_Count	0
141168949	Hydrogen_Bond_Acceptor_Count	2
12622744	Rotatable_Bond_Count	3
14416477	Hydrogen_Bond_Acceptor_Count	7
3418	Isotope_Atom_Count	0
6918249	Covalent_Unit_Count	2
8468	Covalent_Unit_Count	1
2723949	Mono_Isotopic_Weight	75.01427034
2775149	Covalent_Unit_Count	2
76958180	Tautomer_Count	2
74267	Non-hydrogen_Atom_Count	28
158770620	XLogP3-AA	1.8
70381	Tautomer_Count	2
653817	Total_Formal_Charge	0
3325	Hydrogen_Bond_Acceptor_Count	8
88483	Defined_Bond_Stereo_Count	0
62856	Non-hydrogen_Atom_Count	9
148123	Structure_Complexity	1660
135413525	Exact_Mass	241.09635999
3245	Undefined_Bond_Stereo_Count	0
49869173	Covalent_Unit_Count	1
17963332	Mono_Isotopic_Weight	541.1204976
6914657	XLogP3-AA	3.7
11400730	TPSA	33
67532	Rotatable_Bond_Count	3
61265	Structure_Complexity	70.9
13225428	Undefined_Atom_Stereo_Count	1
81332758	Hydrogen_Bond_Donor_Count	0
165589103	TPSA	46.2
675533	Structure_Complexity	365
91302105	Hydrogen_Bond_Donor_Count	0
492976	XLogP3-AA	1.9
6419719	Defined_Bond_Stereo_Count	0
5460700	Defined_Bond_Stereo_Count	0
83681	TPSA	0
92763	Undefined_Atom_Stereo_Count	0
118984396	Hydrogen_Bond_Donor_Count	1
13653621	Mono_Isotopic_Weight	420.22851697
18137	Rotatable_Bond_Count	4
4829	Exact_Mass	356.11946368
3032806	Defined_Atom_Stereo_Count	10
2734122	Rotatable_Bond_Count	3
44392111	Covalent_Unit_Count	1
60618	Tautomer_Count	1
62963	Total_Formal_Charge	0
75195	Molecular_Weight	821.9
54011	Rotatable_Bond_Count	15
87953	Structure_Complexity	353
65182	Isotope_Atom_Count	0
9860424	Structure_Complexity	378
5172	Rotatable_Bond_Count	4
9889823	Hydrogen_Bond_Donor_Count	2
90041889	Non-hydrogen_Atom_Count	8
122501	Covalent_Unit_Count	1
3956708	Mono_Isotopic_Weight	213.03338833
57461922	Isotope_Atom_Count	0
4883	TPSA	70.6
13117013	Defined_Atom_Stereo_Count	0
3324	Mono_Isotopic_Weight	321.14370410
637497	Hydrogen_Bond_Donor_Count	2
22181493	Hydrogen_Bond_Acceptor_Count	2
8978	Undefined_Atom_Stereo_Count	0
44590515	Isotope_Atom_Count	0
76767	Rotatable_Bond_Count	3
8966	XLogP3-AA	3.6
11273	Hydrogen_Bond_Donor_Count	1
6145931	Total_Formal_Charge	0
657378	Undefined_Atom_Stereo_Count	0
7915	Tautomer_Count	1
6930	Undefined_Atom_Stereo_Count	0
9548661	Defined_Atom_Stereo_Count	10
83996	Isotope_Atom_Count	0
4594	Hydrogen_Bond_Acceptor_Count	6
73082918	Isotope_Atom_Count	0
28114	XLogP3-AA	0.1
6419765	Hydrogen_Bond_Acceptor_Count	3
1379	Defined_Bond_Stereo_Count	0
44424639	Structure_Complexity	1690
70752	Isotope_Atom_Count	0
10435916	Undefined_Bond_Stereo_Count	0
316797	Defined_Atom_Stereo_Count	0
33958	Undefined_Atom_Stereo_Count	0
550642	XLogP3-AA	1.1
44414758	TPSA	55.1
18850	Molecular_Weight	82.14
44144456	Molecular_Weight	56.35
16054	Structure_Complexity	126
83064	Exact_Mass	318.09508215
65682	Total_Formal_Charge	0
22099238	Undefined_Bond_Stereo_Count	0
122767	Defined_Bond_Stereo_Count	0
133550157	Isotope_Atom_Count	0
627867	Molecular_Weight	306.4
45055483	TPSA	364
11860	Undefined_Bond_Stereo_Count	0
9765	Exact_Mass	182.01064
62321	Non-hydrogen_Atom_Count	16
10240772	Non-hydrogen_Atom_Count	7
669	Rotatable_Bond_Count	4
434207	Defined_Bond_Stereo_Count	0
15030236	XLogP3-AA	2.6
78723	Hydrogen_Bond_Donor_Count	1
1459	Non-hydrogen_Atom_Count	24
58265178	Isotope_Atom_Count	0
81818	Covalent_Unit_Count	1
6518171	Defined_Bond_Stereo_Count	0
135509117	Total_Formal_Charge	0
20561716	TPSA	47.8
9584	Mono_Isotopic_Weight	111.048427358
11954236	TPSA	374
36382	Rotatable_Bond_Count	5
23616254	Structure_Complexity	299
850502	Undefined_Bond_Stereo_Count	0
104938	Mono_Isotopic_Weight	360.12677620
80108978	Mono_Isotopic_Weight	112.063662883
14194342	TPSA	66.8
313444	Exact_Mass	167.0250249
26929	Hydrogen_Bond_Donor_Count	1
403803	Isotope_Atom_Count	0
19704592	Defined_Bond_Stereo_Count	0
6349	Mono_Isotopic_Weight	117.92685
18521	Defined_Bond_Stereo_Count	0
23153	XLogP3-AA	2.7
139975	XLogP3-AA	1.7
735940	Total_Formal_Charge	0
96098	Tautomer_Count	1
121893	Isotope_Atom_Count	0
134688993	Molecular_Weight	263.78
12150	Mono_Isotopic_Weight	138.068079557
70945	Mono_Isotopic_Weight	126.068079557
57780614	Defined_Atom_Stereo_Count	0
53167	Isotope_Atom_Count	0
140638754	Hydrogen_Bond_Acceptor_Count	1
8697	Total_Formal_Charge	0
12170	Molecular_Weight	140.14
20055294	Covalent_Unit_Count	1
118984404	Mono_Isotopic_Weight	692.5025642
49866023	Covalent_Unit_Count	1
75460	Structure_Complexity	110
9797657	Hydrogen_Bond_Donor_Count	1
130770920	Defined_Atom_Stereo_Count	0
5364712	Mono_Isotopic_Weight	212.214015512
20387237	Undefined_Bond_Stereo_Count	0
279062	Defined_Atom_Stereo_Count	0
22954661	Mono_Isotopic_Weight	101.084063974
57401369	Isotope_Atom_Count	0
44377662	Non-hydrogen_Atom_Count	115
5766	Total_Formal_Charge	0
715567	Defined_Atom_Stereo_Count	1
6040	Mono_Isotopic_Weight	233.141578849
25022354	Hydrogen_Bond_Acceptor_Count	7
13465027	Isotope_Atom_Count	0
16682738	TPSA	52.6
23379007	XLogP3-AA	1.7
49867938	Undefined_Atom_Stereo_Count	1
21896450	Undefined_Bond_Stereo_Count	0
10638	TPSA	84.2
715568	Non-hydrogen_Atom_Count	24
55250	TPSA	87.9
118513932	Covalent_Unit_Count	1
11412777	Hydrogen_Bond_Donor_Count	0
24968	Hydrogen_Bond_Donor_Count	0
19138	Undefined_Bond_Stereo_Count	0
11017510	Hydrogen_Bond_Donor_Count	0
13969	Mono_Isotopic_Weight	324.16852187
5415	Rotatable_Bond_Count	20
97373	Isotope_Atom_Count	0
57435862	Undefined_Atom_Stereo_Count	0
11722	Structure_Complexity	42.9
105766824	Defined_Bond_Stereo_Count	0
19193	Hydrogen_Bond_Acceptor_Count	3
86184	Structure_Complexity	322
19067998	Defined_Bond_Stereo_Count	0
10898650	Non-hydrogen_Atom_Count	8
93896	Defined_Atom_Stereo_Count	0
23982	Rotatable_Bond_Count	0
16058629	Mono_Isotopic_Weight	414.96223
445302	Non-hydrogen_Atom_Count	14
12634655	Hydrogen_Bond_Acceptor_Count	0
12302675	Mono_Isotopic_Weight	342.11621151
71680844	TPSA	91.2
23963	TPSA	0
5064267	Molecular_Weight	406.4
9754	Mono_Isotopic_Weight	201.96548
446947	Structure_Complexity	220
563049	Total_Formal_Charge	0
3482402	Total_Formal_Charge	0
52914324	Isotope_Atom_Count	0
3763	Isotope_Atom_Count	0
126994353	Isotope_Atom_Count	0
110	Exact_Mass	151.97794440
97497	Undefined_Bond_Stereo_Count	1
98648	TPSA	92.4
11710986	Non-hydrogen_Atom_Count	30
53987564	Covalent_Unit_Count	1
839611	Molecular_Weight	313.35
3033821	Defined_Atom_Stereo_Count	0
545963	Isotope_Atom_Count	0
10090005	Isotope_Atom_Count	0
5311055	Hydrogen_Bond_Acceptor_Count	3
22058802	Exact_Mass	106.078250319
23681141	Defined_Bond_Stereo_Count	0
13297684	Total_Formal_Charge	0
46257	Tautomer_Count	1
135084	Tautomer_Count	18
89300333	Non-hydrogen_Atom_Count	8
123628	Exact_Mass	382.0463434
11571336	Defined_Atom_Stereo_Count	0
72823952	Undefined_Atom_Stereo_Count	2
167605	Non-hydrogen_Atom_Count	6
11105495	Non-hydrogen_Atom_Count	7
12544	Defined_Atom_Stereo_Count	10
78491	Mono_Isotopic_Weight	193.99424
12962854	Total_Formal_Charge	0
44368	Non-hydrogen_Atom_Count	21
15533	Total_Formal_Charge	0
32142	Exact_Mass	191.131014166
7443	Hydrogen_Bond_Donor_Count	0
53689060	Undefined_Atom_Stereo_Count	0
60054	Tautomer_Count	1
10930422	Isotope_Atom_Count	0
135437285	Isotope_Atom_Count	0
90200	Mono_Isotopic_Weight	543.92954
14286	Hydrogen_Bond_Donor_Count	0
5459784	Defined_Atom_Stereo_Count	2
140554	Molecular_Weight	112.17
11957463	Defined_Bond_Stereo_Count	0
44864	Exact_Mass	270.08920892
11527282	Undefined_Bond_Stereo_Count	0
249494	Isotope_Atom_Count	0
20279	Total_Formal_Charge	0
176448	TPSA	37.3
104881	Structure_Complexity	500
5462310	Undefined_Atom_Stereo_Count	0
65256	Rotatable_Bond_Count	0
139059144	Isotope_Atom_Count	0
6493	Defined_Atom_Stereo_Count	0
10176589	Undefined_Atom_Stereo_Count	0
46871497	Defined_Atom_Stereo_Count	0
12663409	Structure_Complexity	70.1
24530	Mono_Isotopic_Weight	43.017047045
56593143	Molecular_Weight	400.5
158371	Defined_Bond_Stereo_Count	0
56777521	Rotatable_Bond_Count	1
9964258	Hydrogen_Bond_Donor_Count	1
90660523	Defined_Bond_Stereo_Count	4
21584147	Molecular_Weight	100.12
439263	Exact_Mass	156.151415257
10509	Covalent_Unit_Count	1
134497943	Isotope_Atom_Count	0
9131	Non-hydrogen_Atom_Count	22
114911	Isotope_Atom_Count	0
46244173	Hydrogen_Bond_Donor_Count	1
53318410	Hydrogen_Bond_Acceptor_Count	3
135413520	Defined_Atom_Stereo_Count	1
39424	Covalent_Unit_Count	2
12596780	Molecular_Weight	78.07
29701	Mono_Isotopic_Weight	207.100776666
155142	Rotatable_Bond_Count	23
135648979	Undefined_Atom_Stereo_Count	0
140066	TPSA	0
5252031	Defined_Atom_Stereo_Count	0
44419427	XLogP3-AA	8.4
21189113	Covalent_Unit_Count	1
44257207	Rotatable_Bond_Count	3
107751	XLogP3-AA	3.3
54587656	Covalent_Unit_Count	1
146345448	TPSA	30.5
135405908	TPSA	98.2
5361	Defined_Atom_Stereo_Count	0
42051894	Total_Formal_Charge	0
16119086	Defined_Atom_Stereo_Count	0
246728	TPSA	17.1
637858	XLogP3-AA	2.1
23034	Defined_Atom_Stereo_Count	0
70693265	Defined_Atom_Stereo_Count	0
18075	Exact_Mass	210.079312947
9964081	Covalent_Unit_Count	1
58436	Hydrogen_Bond_Donor_Count	1
57403932	Covalent_Unit_Count	1
123896575	Rotatable_Bond_Count	1
85047	Exact_Mass	935.170014
3613359	Rotatable_Bond_Count	0
135398561	Undefined_Atom_Stereo_Count	0
12576587	Covalent_Unit_Count	1
69332648	Defined_Atom_Stereo_Count	0
12285856	Mono_Isotopic_Weight	181.06966484
540335	Total_Formal_Charge	0
76688	Total_Formal_Charge	0
117781134	Defined_Atom_Stereo_Count	2
289031	TPSA	104
3083671	Molecular_Weight	282.36
8974	Isotope_Atom_Count	0
2752638	Non-hydrogen_Atom_Count	13
21482444	Defined_Bond_Stereo_Count	0
71459117	Mono_Isotopic_Weight	391.18959167
3094	TPSA	12
854150	XLogP3	3.1
15787851	Total_Formal_Charge	0
56955186	Structure_Complexity	488
31230	Undefined_Bond_Stereo_Count	0
9904746	Total_Formal_Charge	0
9827661	Non-hydrogen_Atom_Count	8
16683093	Structure_Complexity	335
79856	Total_Formal_Charge	0
52195	XLogP3-AA	3
12943708	Hydrogen_Bond_Acceptor_Count	1
91118025	Hydrogen_Bond_Acceptor_Count	1
12488467	Covalent_Unit_Count	1
176096	Non-hydrogen_Atom_Count	22
11439	Defined_Atom_Stereo_Count	0
13360	Molecular_Weight	130.14
65741	TPSA	20.3
102501728	Exact_Mass	477.16885622
40537366	Mono_Isotopic_Weight	350.235813585
29732	Structure_Complexity	462
11549	Structure_Complexity	64.1
16058637	Isotope_Atom_Count	0
4008	Undefined_Bond_Stereo_Count	0
561	Undefined_Bond_Stereo_Count	0
81457	Tautomer_Count	8
11083832	Undefined_Atom_Stereo_Count	0
693946	Structure_Complexity	452
3266	Structure_Complexity	490
443586	Defined_Atom_Stereo_Count	1
5359464	Exact_Mass	204.97443
157692	Hydrogen_Bond_Donor_Count	2
8023	Non-hydrogen_Atom_Count	5
10309028	Defined_Atom_Stereo_Count	0
397587	Undefined_Atom_Stereo_Count	0
1548972	Structure_Complexity	590
71898	Undefined_Bond_Stereo_Count	0
19928	Covalent_Unit_Count	1
10192563	Total_Formal_Charge	0
65246	Total_Formal_Charge	0
25185057	Rotatable_Bond_Count	6
57286108	Undefined_Atom_Stereo_Count	0
9837643	Hydrogen_Bond_Donor_Count	1
54541930	Exact_Mass	115.063328530
23054502	Non-hydrogen_Atom_Count	8
9812790	Undefined_Atom_Stereo_Count	0
53387035	Total_Formal_Charge	0
20463	Total_Formal_Charge	0
243415	Defined_Atom_Stereo_Count	0
10485	Undefined_Bond_Stereo_Count	0
22243070	Rotatable_Bond_Count	0
1261	Defined_Atom_Stereo_Count	0
80792	Hydrogen_Bond_Acceptor_Count	2
239215	Defined_Bond_Stereo_Count	0
73415774	Undefined_Atom_Stereo_Count	0
123885601	TPSA	46.2
6503	Molecular_Weight	121.14
23305495	Hydrogen_Bond_Donor_Count	7
44590515	Hydrogen_Bond_Donor_Count	2
56658436	Defined_Atom_Stereo_Count	0
89748954	Exact_Mass	114.104465066
13104807	Non-hydrogen_Atom_Count	43
39722	Total_Formal_Charge	0
41170	Total_Formal_Charge	0
25056	TPSA	16.1
129627802	Isotope_Atom_Count	0
22016574	Non-hydrogen_Atom_Count	7
5280581	Structure_Complexity	327
70620	Total_Formal_Charge	0
125461707	Undefined_Bond_Stereo_Count	0
98648	Hydrogen_Bond_Donor_Count	1
9034	Non-hydrogen_Atom_Count	19
57236595	Structure_Complexity	72.1
147078	Tautomer_Count	4
3824520	XLogP3-AA	2
14055	Exact_Mass	51.010899036
65388	Structure_Complexity	151
118946	Mono_Isotopic_Weight	155.069476538
9578243	Total_Formal_Charge	0
15376592	Hydrogen_Bond_Donor_Count	0
87089	Mono_Isotopic_Weight	290.153146591
2827646	TPSA	61.7
2724163	Non-hydrogen_Atom_Count	26
15550	Total_Formal_Charge	0
169969	Molecular_Weight	68.08
136219151	Rotatable_Bond_Count	4
12214113	Non-hydrogen_Atom_Count	7
644102	Structure_Complexity	124
18069	Covalent_Unit_Count	1
439318	Exact_Mass	483.25404239
555	Isotope_Atom_Count	0
12417	Covalent_Unit_Count	1
636377	Structure_Complexity	780
11789135	Molecular_Weight	97.16
6471	Exact_Mass	261.172878976
57394708	Structure_Complexity	746
22137184	Mono_Isotopic_Weight	98.073164938
55298701	Non-hydrogen_Atom_Count	7
141315890	Exact_Mass	101.047678466
9108	Rotatable_Bond_Count	0
90908946	Isotope_Atom_Count	0
71397	Defined_Atom_Stereo_Count	0
15496999	Covalent_Unit_Count	1
18430414	Hydrogen_Bond_Acceptor_Count	6
519382	Isotope_Atom_Count	0
403821	Hydrogen_Bond_Acceptor_Count	8
71793	Defined_Atom_Stereo_Count	0
10758834	Covalent_Unit_Count	1
59939847	Undefined_Atom_Stereo_Count	1
16687470	Structure_Complexity	936
137808	Exact_Mass	93.057849228
213040	Undefined_Atom_Stereo_Count	1
97860	XLogP3	3
21779642	XLogP3	1.7
5491295	Non-hydrogen_Atom_Count	32
5487068	Hydrogen_Bond_Donor_Count	8
9837124	Isotope_Atom_Count	0
7213679	Isotope_Atom_Count	0
10613	Structure_Complexity	246
447518	Hydrogen_Bond_Acceptor_Count	7
23533634	Defined_Atom_Stereo_Count	0
11345	TPSA	0
6328250	TPSA	30.2
20553	XLogP3-AA	0.3
10898649	Mono_Isotopic_Weight	97.063997236
6918562	TPSA	358
10893439	Defined_Bond_Stereo_Count	0
11714580	Undefined_Bond_Stereo_Count	0
25657	TPSA	17.1
77763	Undefined_Atom_Stereo_Count	0
29498	Total_Formal_Charge	0
243556	XLogP3-AA	4.6
5283560	TPSA	113
3437714	XLogP3-AA	2.3
10066327	Hydrogen_Bond_Acceptor_Count	4
16218641	Structure_Complexity	179
618566	XLogP3-AA	6.6
448372	Non-hydrogen_Atom_Count	15
163921573	Rotatable_Bond_Count	3
619	Defined_Bond_Stereo_Count	0
73425158	Exact_Mass	111.068413911
11535	Exact_Mass	54.0469501914
23582412	Undefined_Bond_Stereo_Count	0
23182368	Structure_Complexity	58.9
163809267	XLogP3-AA	1.1
23207045	Hydrogen_Bond_Acceptor_Count	3
124031779	Covalent_Unit_Count	1
181	Total_Formal_Charge	0
6449	Undefined_Bond_Stereo_Count	0
85988	Mono_Isotopic_Weight	172.08479225
42863	Hydrogen_Bond_Donor_Count	0
159596	Hydrogen_Bond_Acceptor_Count	4
117853562	Structure_Complexity	113
118360945	Undefined_Bond_Stereo_Count	0
487652	Molecular_Weight	477.3
85475	Undefined_Bond_Stereo_Count	0
4068	TPSA	90.5
11687	Non-hydrogen_Atom_Count	25
71586635	Non-hydrogen_Atom_Count	30
3745420	Hydrogen_Bond_Donor_Count	2
1180	Non-hydrogen_Atom_Count	60
64930	Exact_Mass	639.37711765
90753032	Covalent_Unit_Count	1
11622593	Defined_Bond_Stereo_Count	0
683253	Undefined_Bond_Stereo_Count	0
65407	Hydrogen_Bond_Donor_Count	3
5743835	Hydrogen_Bond_Acceptor_Count	4
9798	XLogP3-AA	8
157455	Mono_Isotopic_Weight	832.19215
10877079	TPSA	20.2
5251896	Exact_Mass	303.19467705
11306	Defined_Atom_Stereo_Count	0
283242	Hydrogen_Bond_Acceptor_Count	2
146171122	Undefined_Bond_Stereo_Count	0
115208	TPSA	72.9
66827369	Mono_Isotopic_Weight	97.089149355
12263	Exact_Mass	101.047678466
1696	Molecular_Weight	202.19
61614676	TPSA	71.1
6881	Structure_Complexity	308
6165177	TPSA	160
258383	Defined_Bond_Stereo_Count	0
11807	Non-hydrogen_Atom_Count	6
10332398	Non-hydrogen_Atom_Count	19
46919879	Defined_Bond_Stereo_Count	0
34055	Defined_Atom_Stereo_Count	0
148211	Undefined_Bond_Stereo_Count	0
71391	Defined_Bond_Stereo_Count	0
36034	Hydrogen_Bond_Acceptor_Count	3
47024	Hydrogen_Bond_Acceptor_Count	3
31254	Isotope_Atom_Count	0
439233	Isotope_Atom_Count	0
517326	Undefined_Atom_Stereo_Count	0
72941968	Tautomer_Count	970
3035905	Hydrogen_Bond_Acceptor_Count	2
278600	Undefined_Atom_Stereo_Count	2
6918474	Undefined_Atom_Stereo_Count	0
57327016	Hydrogen_Bond_Donor_Count	4
134695353	Covalent_Unit_Count	1
271488	Exact_Mass	360.339216023
16109396	Non-hydrogen_Atom_Count	26
3033017	XLogP3	2.9
4272	Undefined_Bond_Stereo_Count	1
13180929	Undefined_Atom_Stereo_Count	0
10297982	Hydrogen_Bond_Donor_Count	3
5288799	TPSA	41.6
5352833	Rotatable_Bond_Count	3
83779	Covalent_Unit_Count	1
60936	Hydrogen_Bond_Donor_Count	2
44521016	Rotatable_Bond_Count	7
21106	Undefined_Bond_Stereo_Count	0
54608115	Isotope_Atom_Count	0
11251803	Isotope_Atom_Count	0
4993465	Defined_Atom_Stereo_Count	0
557495	Non-hydrogen_Atom_Count	7
92563	Defined_Bond_Stereo_Count	0
572331	Defined_Atom_Stereo_Count	0
10646616	Mono_Isotopic_Weight	436.02047
71462390	Molecular_Weight	501.4
517055	Mono_Isotopic_Weight	144.01872368
71458921	XLogP3-AA	2.2
13618	Rotatable_Bond_Count	0
236745	Molecular_Weight	269.72
146014417	Molecular_Weight	1346.4
2733294	Undefined_Atom_Stereo_Count	0
14388559	Rotatable_Bond_Count	1
638081	Mono_Isotopic_Weight	162.140850574
129722292	Defined_Atom_Stereo_Count	0
163253928	Non-hydrogen_Atom_Count	7
17852315	Hydrogen_Bond_Donor_Count	1
84072504	Defined_Atom_Stereo_Count	0
4369589	Covalent_Unit_Count	1
39732	XLogP3	6.3
55245	Rotatable_Bond_Count	3
11094545	Undefined_Bond_Stereo_Count	0
6918335	Structure_Complexity	1280
16638	Total_Formal_Charge	0
61140	Mono_Isotopic_Weight	136.0291072
76449347	Defined_Bond_Stereo_Count	0
71329	Exact_Mass	441.13921332
53846420	Hydrogen_Bond_Acceptor_Count	3
38756	Molecular_Weight	114.19
165574	Defined_Atom_Stereo_Count	0
51397515	Structure_Complexity	1020
171558	Undefined_Bond_Stereo_Count	0
24598	Covalent_Unit_Count	4
3961	Defined_Atom_Stereo_Count	0
9971	TPSA	63.3
52993101	Covalent_Unit_Count	1
76497	Hydrogen_Bond_Donor_Count	2
135451068	Structure_Complexity	834
5288266	Non-hydrogen_Atom_Count	17
670	Non-hydrogen_Atom_Count	6
21836527	Molecular_Weight	111.10
44135711	Isotope_Atom_Count	0
454647	Defined_Bond_Stereo_Count	0
57992081	Rotatable_Bond_Count	5
2929	Undefined_Atom_Stereo_Count	0
638759	Defined_Atom_Stereo_Count	0
138170	Hydrogen_Bond_Donor_Count	0
11480819	Rotatable_Bond_Count	1
3567233	Non-hydrogen_Atom_Count	16
119693	Hydrogen_Bond_Donor_Count	2
57461868	Defined_Bond_Stereo_Count	0
27489	Defined_Atom_Stereo_Count	0
101982233	Structure_Complexity	0
197344	Molecular_Weight	352.79
6419888	Hydrogen_Bond_Donor_Count	2
19991465	TPSA	67.5
70686471	Isotope_Atom_Count	0
1355	Mono_Isotopic_Weight	196.0767261
42852	Structure_Complexity	102
50905713	Isotope_Atom_Count	0
56670170	Undefined_Atom_Stereo_Count	0
16129778	Structure_Complexity	3570
23270355	XLogP3-AA	0.9
138107735	TPSA	272
107949	Hydrogen_Bond_Acceptor_Count	3
11988953	Rotatable_Bond_Count	7
15081	Defined_Bond_Stereo_Count	0
849349	Defined_Atom_Stereo_Count	0
521300	Structure_Complexity	49.5
54368096	Covalent_Unit_Count	1
1548971	Molecular_Weight	410.5
66932	TPSA	52.6
644213	Molecular_Weight	276.67
94320	Molecular_Weight	512.7
49862460	Covalent_Unit_Count	1
2766847	Structure_Complexity	151
12729	Hydrogen_Bond_Acceptor_Count	2
11278075	XLogP3-AA	5
87163	Defined_Bond_Stereo_Count	0
80466	Rotatable_Bond_Count	1
69275	Structure_Complexity	135
11243002	Defined_Atom_Stereo_Count	0
71268957	Molecular_Weight	541.7
129194081	Non-hydrogen_Atom_Count	7
2303	Undefined_Bond_Stereo_Count	0
9956119	Undefined_Bond_Stereo_Count	0
650201	Structure_Complexity	682
12066842	Non-hydrogen_Atom_Count	7
6919629	Mono_Isotopic_Weight	184.09736831
123628	Undefined_Atom_Stereo_Count	0
9833937	Total_Formal_Charge	0
15410449	Molecular_Weight	399.2
3000706	Defined_Atom_Stereo_Count	12
22313112	Defined_Bond_Stereo_Count	1
2735086	Rotatable_Bond_Count	1
5483847	Undefined_Atom_Stereo_Count	0
21863	Undefined_Bond_Stereo_Count	0
21058180	Hydrogen_Bond_Donor_Count	0
14200855	Defined_Bond_Stereo_Count	0
56680334	Structure_Complexity	694
13010228	Defined_Bond_Stereo_Count	0
9589	Non-hydrogen_Atom_Count	9
14357	Structure_Complexity	269
12817963	Structure_Complexity	113
5386	Rotatable_Bond_Count	1
6918606	Undefined_Bond_Stereo_Count	0
72492	Rotatable_Bond_Count	6
75609	Tautomer_Count	1
6950274	Tautomer_Count	1
3852430	Mono_Isotopic_Weight	509.7086
88027139	Defined_Atom_Stereo_Count	0
15256327	Exact_Mass	115.063328530
12519677	Molecular_Weight	111.14
21051076	Defined_Bond_Stereo_Count	0
242356	Isotope_Atom_Count	0
2064030	Exact_Mass	295.96981
14169893	Undefined_Atom_Stereo_Count	0
51375035	Isotope_Atom_Count	0
43624	Structure_Complexity	235
10023121	Defined_Atom_Stereo_Count	0
23678591	Defined_Atom_Stereo_Count	0
98150	Defined_Bond_Stereo_Count	0
72765870	Hydrogen_Bond_Donor_Count	0
12455727	Non-hydrogen_Atom_Count	8
5003059	Defined_Bond_Stereo_Count	0
19879	Defined_Atom_Stereo_Count	0
124769753	Hydrogen_Bond_Donor_Count	1
54740	Exact_Mass	289.14264148
3078439	Exact_Mass	1126.58247852
5071450	Tautomer_Count	2
101675239	Non-hydrogen_Atom_Count	14
8794	Defined_Bond_Stereo_Count	0
527	Hydrogen_Bond_Acceptor_Count	1
71829	Mono_Isotopic_Weight	382.1037253
68156	Covalent_Unit_Count	1
71219	Isotope_Atom_Count	0
91200785	Molecular_Weight	110.15
53859	Defined_Atom_Stereo_Count	0
6917839	Covalent_Unit_Count	2
8085	Defined_Bond_Stereo_Count	0
2998	Molecular_Weight	293.4
434207	Mono_Isotopic_Weight	342.04795251
71115	TPSA	28.5
10311	Rotatable_Bond_Count	4
129669846	Structure_Complexity	1330
7456	Structure_Complexity	136
47491	Hydrogen_Bond_Acceptor_Count	7
135403630	Total_Formal_Charge	0
53472153	TPSA	88.1
2745	Defined_Bond_Stereo_Count	0
160565	Covalent_Unit_Count	1
24181476	Rotatable_Bond_Count	0
144793800	Rotatable_Bond_Count	3
81668	Tautomer_Count	1
31204	Isotope_Atom_Count	0
53973376	TPSA	44
16212610	Undefined_Bond_Stereo_Count	0
19675	Non-hydrogen_Atom_Count	29
44629596	Defined_Atom_Stereo_Count	2
45085067	Total_Formal_Charge	0
5354486	Covalent_Unit_Count	1
433294	Exact_Mass	41.9848561
2161	Hydrogen_Bond_Acceptor_Count	6
19870792	XLogP3-AA	0.2
46078	Isotope_Atom_Count	0
7470	Molecular_Weight	136.15
14119	Defined_Bond_Stereo_Count	0
11806375	Molecular_Weight	226.27
165971	Defined_Atom_Stereo_Count	0
9590	Non-hydrogen_Atom_Count	10
34665	Defined_Bond_Stereo_Count	0
19595920	Rotatable_Bond_Count	0
5351	Tautomer_Count	1
6407	TPSA	17.1
105427064	Mono_Isotopic_Weight	116.047344113
104711138	Undefined_Atom_Stereo_Count	1
10974	Structure_Complexity	75.8
145521	Isotope_Atom_Count	0
19709	Exact_Mass	101.120449483
136657690	Hydrogen_Bond_Donor_Count	4
12543515	Defined_Bond_Stereo_Count	0
20548464	Undefined_Atom_Stereo_Count	0
71935	Mono_Isotopic_Weight	291.162314293
54023535	Undefined_Bond_Stereo_Count	0
5289162	Hydrogen_Bond_Acceptor_Count	6
711560	Total_Formal_Charge	0
129827453	Hydrogen_Bond_Acceptor_Count	4
23087	XLogP3	2.4
598696	Defined_Atom_Stereo_Count	0
85820499	Mono_Isotopic_Weight	110.073164938
48959	Molecular_Weight	247.33
8356	Undefined_Atom_Stereo_Count	0
9966051	Mono_Isotopic_Weight	298.15036988
164652	Hydrogen_Bond_Donor_Count	4
11496886	Molecular_Weight	493.24
92563	TPSA	20.2
97414	Mono_Isotopic_Weight	227.07284784
34741	TPSA	29.5
6436606	Rotatable_Bond_Count	10
54572793	Mono_Isotopic_Weight	100.063662883
36604	XLogP3	2.1
64432	Total_Formal_Charge	0
67412	Hydrogen_Bond_Acceptor_Count	2
15806	Molecular_Weight	225.24
6917681	TPSA	44.4
14705467	Isotope_Atom_Count	0
20762359	XLogP3-AA	0.3
14897383	Defined_Atom_Stereo_Count	0
3876660	Molecular_Weight	380.5
12302651	Hydrogen_Bond_Donor_Count	8
5329	Rotatable_Bond_Count	3
7894	XLogP3-AA	1
7822	Isotope_Atom_Count	0
5282165	Tautomer_Count	4
123516214	Molecular_Weight	102.13
19092	Defined_Bond_Stereo_Count	0
11789342	Covalent_Unit_Count	1
18728	Undefined_Atom_Stereo_Count	4
91582439	Rotatable_Bond_Count	0
29656	Mono_Isotopic_Weight	102.104465066
132787	Exact_Mass	336.183778013
16683012	Molecular_Weight	908.89
5534	Defined_Atom_Stereo_Count	0
4230	Isotope_Atom_Count	0
54385	TPSA	64.3
314282	Rotatable_Bond_Count	1
12823444	XLogP3	2.3
27934	Mono_Isotopic_Weight	222.115698455
23950	Covalent_Unit_Count	1
101561	Hydrogen_Bond_Donor_Count	3
3080938	XLogP3-AA	17.3
67296	Exact_Mass	220.182715385
13848	Isotope_Atom_Count	0
15215907	XLogP3-AA	3.7
163201191	Undefined_Atom_Stereo_Count	2
356063	Mono_Isotopic_Weight	130.062994177
23283113	TPSA	0
11534	Rotatable_Bond_Count	0
69085357	Covalent_Unit_Count	1
56638112	Defined_Bond_Stereo_Count	0
97523	Undefined_Atom_Stereo_Count	0
42580060	Structure_Complexity	382
98365	Defined_Bond_Stereo_Count	0
57280823	Non-hydrogen_Atom_Count	7
5281075	Hydrogen_Bond_Donor_Count	4
91667752	Defined_Bond_Stereo_Count	0
129195194	Covalent_Unit_Count	1
10464312	TPSA	34.1
9205	Non-hydrogen_Atom_Count	13
96	Exact_Mass	102.031694049
123650722	Defined_Bond_Stereo_Count	0
55300514	Defined_Atom_Stereo_Count	0
9980551	Mono_Isotopic_Weight	437.0003825
64950	Hydrogen_Bond_Acceptor_Count	2
291730	Covalent_Unit_Count	1
7773	Hydrogen_Bond_Donor_Count	0
56841794	Defined_Bond_Stereo_Count	0
11829354	XLogP3-AA	1.2
702695	Undefined_Bond_Stereo_Count	0
91810695	Mono_Isotopic_Weight	976.3034938
8289	Total_Formal_Charge	0
60196421	Rotatable_Bond_Count	17
14235	Hydrogen_Bond_Donor_Count	0
27975	Mono_Isotopic_Weight	237.10010796
21185399	Undefined_Bond_Stereo_Count	0
22246713	Non-hydrogen_Atom_Count	8
123309341	Hydrogen_Bond_Acceptor_Count	2
57395447	Rotatable_Bond_Count	10
145705672	Structure_Complexity	784
144369145	Undefined_Atom_Stereo_Count	0
44424639	Undefined_Atom_Stereo_Count	0
60196409	Molecular_Weight	548.0
22654	TPSA	58.5
70723	Hydrogen_Bond_Acceptor_Count	1
9013	TPSA	64.4
136120826	Mono_Isotopic_Weight	98.02286070
6426660	Exact_Mass	314.24570956
243517	TPSA	12
160310226	TPSA	45.6
66071945	Isotope_Atom_Count	0
517121	Exact_Mass	218.9214405
2141	Covalent_Unit_Count	1
10075	Hydrogen_Bond_Acceptor_Count	5
126672220	Exact_Mass	111.068413911
21701560	Structure_Complexity	390
13785328	Hydrogen_Bond_Acceptor_Count	5
958	Hydrogen_Bond_Donor_Count	0
6918558	Hydrogen_Bond_Acceptor_Count	4
61574	Hydrogen_Bond_Acceptor_Count	3
10866	Hydrogen_Bond_Acceptor_Count	2
8540	Structure_Complexity	345
167604	Hydrogen_Bond_Donor_Count	0
58935140	Structure_Complexity	79.6
122197581	Defined_Bond_Stereo_Count	0
129859073	Defined_Bond_Stereo_Count	0
14733	XLogP3	3.2
5353831	Defined_Atom_Stereo_Count	0
12213229	Structure_Complexity	238
7619	Covalent_Unit_Count	1
25171876	Molecular_Weight	364.4
8532	Defined_Atom_Stereo_Count	0
48670	XLogP3-AA	0.5
650201	Mono_Isotopic_Weight	395.13373402
7288	Exact_Mass	86.073164938
66545759	Isotope_Atom_Count	0
5462222	Covalent_Unit_Count	1
60196437	Exact_Mass	376.13469677
11589054	Undefined_Bond_Stereo_Count	0
11073538	Isotope_Atom_Count	0
53926755	Total_Formal_Charge	0
68554	Molecular_Weight	256.80
57744	Rotatable_Bond_Count	12
22310945	Hydrogen_Bond_Acceptor_Count	3
135988	Mono_Isotopic_Weight	110.109550447
19782039	XLogP3-AA	0.5
448972	Undefined_Atom_Stereo_Count	0
9892815	Mono_Isotopic_Weight	518.13345680
221071	Covalent_Unit_Count	1
33094	Defined_Atom_Stereo_Count	0
44284481	Hydrogen_Bond_Donor_Count	32
71960	Defined_Atom_Stereo_Count	10
61100	Molecular_Weight	234.28
5362125	Mono_Isotopic_Weight	509.98517151
90921336	Undefined_Atom_Stereo_Count	1
3034319	Defined_Bond_Stereo_Count	0
5488193	Mono_Isotopic_Weight	228.04225873
3614338	Covalent_Unit_Count	1
23663958	Non-hydrogen_Atom_Count	17
5476	Total_Formal_Charge	1
256019	Defined_Bond_Stereo_Count	0
89133905	Hydrogen_Bond_Donor_Count	1
5283377	Structure_Complexity	204
5353466	Total_Formal_Charge	0
1189	TPSA	146
9848024	Molecular_Weight	480.6
11742188	Hydrogen_Bond_Acceptor_Count	5
79267	Hydrogen_Bond_Donor_Count	1
68476	Mono_Isotopic_Weight	144.068748264
6950337	Defined_Bond_Stereo_Count	0
5807	Exact_Mass	247.0975211
208921	Total_Formal_Charge	0
688356	Undefined_Bond_Stereo_Count	0
9286	Non-hydrogen_Atom_Count	15
193450	Rotatable_Bond_Count	4
6931238	Hydrogen_Bond_Acceptor_Count	2
134694678	Mono_Isotopic_Weight	585.30501534
561096	Hydrogen_Bond_Donor_Count	0
589692	Molecular_Weight	146.15
57452	Isotope_Atom_Count	0
135403828	Mono_Isotopic_Weight	473.16589610
13594	Defined_Atom_Stereo_Count	0
139055434	Hydrogen_Bond_Acceptor_Count	13
91323352	Molecular_Weight	453.5
90975	Structure_Complexity	330
23520950	Hydrogen_Bond_Donor_Count	0
102402827	Covalent_Unit_Count	1
89155	Defined_Bond_Stereo_Count	0
5372405	Covalent_Unit_Count	1
65726	Tautomer_Count	10
135618566	Covalent_Unit_Count	1
85217	Rotatable_Bond_Count	2
100934359	Defined_Bond_Stereo_Count	0
55067	Non-hydrogen_Atom_Count	10
12025	Undefined_Atom_Stereo_Count	0
8002585	Defined_Bond_Stereo_Count	0
91599894	Molecular_Weight	110.20
23276	Tautomer_Count	1
85904477	Isotope_Atom_Count	0
38401	XLogP3-AA	4.5
11223	TPSA	12.5
129654479	Hydrogen_Bond_Acceptor_Count	2
22206	XLogP3	3.1
543664	Defined_Bond_Stereo_Count	0
87098264	Undefined_Bond_Stereo_Count	0
91885392	Rotatable_Bond_Count	4
12734569	Isotope_Atom_Count	0
9552077	Molecular_Weight	211.95
4525487	Mono_Isotopic_Weight	146.04533274
7947	Undefined_Bond_Stereo_Count	0
542158	Exact_Mass	484.2128852
136893	Tautomer_Count	1
6429274	Undefined_Bond_Stereo_Count	0
24417	Defined_Bond_Stereo_Count	0
107282	Hydrogen_Bond_Donor_Count	0
18850	Undefined_Atom_Stereo_Count	0
439207	Tautomer_Count	1
77011628	Hydrogen_Bond_Acceptor_Count	3
87786837	Undefined_Atom_Stereo_Count	2
53675483	Exact_Mass	416.32904526
104967	Rotatable_Bond_Count	0
163436244	Undefined_Bond_Stereo_Count	1
12510987	Rotatable_Bond_Count	3
69677	Exact_Mass	134.00918253
4385787	Tautomer_Count	1
22450283	Rotatable_Bond_Count	3
522	Hydrogen_Bond_Acceptor_Count	20
163050674	Undefined_Bond_Stereo_Count	0
90941377	Defined_Bond_Stereo_Count	0
5323974	TPSA	50.7
27234	Exact_Mass	299.188529040
3773	Hydrogen_Bond_Acceptor_Count	3
3641725	Total_Formal_Charge	0
9887812	Defined_Bond_Stereo_Count	0
102538	Undefined_Atom_Stereo_Count	1
87820	Defined_Atom_Stereo_Count	0
440577	TPSA	240
13244862	Defined_Atom_Stereo_Count	0
23675743	Mono_Isotopic_Weight	475.0580785
5289289	XLogP3-AA	1.5
11979956	Rotatable_Bond_Count	20
44545852	XLogP3-AA	3.9
24254	Rotatable_Bond_Count	3
106831	Defined_Bond_Stereo_Count	0
20256	Hydrogen_Bond_Donor_Count	2
18622368	Undefined_Bond_Stereo_Count	0
37264	Undefined_Atom_Stereo_Count	0
61071	Undefined_Bond_Stereo_Count	1
12511	Defined_Atom_Stereo_Count	0
72760	Non-hydrogen_Atom_Count	18
76285	Mono_Isotopic_Weight	459.658166
15046514	Non-hydrogen_Atom_Count	8
6438560	Rotatable_Bond_Count	8
2898	XLogP3-AA	5.5
18469536	Hydrogen_Bond_Acceptor_Count	9
95770	Total_Formal_Charge	0
219019	TPSA	52.6
675	Covalent_Unit_Count	1
75197	Exact_Mass	256.08030146
669570	Hydrogen_Bond_Acceptor_Count	3
151243	Rotatable_Bond_Count	3
70377524	Defined_Bond_Stereo_Count	0
19362293	Total_Formal_Charge	0
10197660	Structure_Complexity	139
18126	XLogP3	3
22597728	Mono_Isotopic_Weight	214.0396719
13842461	Hydrogen_Bond_Donor_Count	3
124769753	Covalent_Unit_Count	1
721938	XLogP3-AA	1.9
8628	Defined_Atom_Stereo_Count	0
10267087	Hydrogen_Bond_Acceptor_Count	5
436542	Tautomer_Count	1
68154	Undefined_Bond_Stereo_Count	0
3811882	Defined_Bond_Stereo_Count	0
688442	Tautomer_Count	1
61099	Undefined_Atom_Stereo_Count	2
21019	XLogP3-AA	1.8
124149361	Covalent_Unit_Count	1
119058385	Hydrogen_Bond_Donor_Count	3
351795	Undefined_Bond_Stereo_Count	0
66537	Molecular_Weight	212.29
137859	Undefined_Atom_Stereo_Count	0
67938294	Non-hydrogen_Atom_Count	7
6437841	XLogP3-AA	6.1
53167	Exact_Mass	100.100048391
19816872	Molecular_Weight	113.11
11955	Non-hydrogen_Atom_Count	10
18608	Rotatable_Bond_Count	5
2882	Structure_Complexity	835
168625	Rotatable_Bond_Count	2
5287620	Hydrogen_Bond_Acceptor_Count	4
21618	Molecular_Weight	104.10
539061	Exact_Mass	548.29853298
4369	TPSA	110
44571915	Molecular_Weight	433.8
96393	Total_Formal_Charge	0
137705128	Covalent_Unit_Count	1
44193577	Exact_Mass	399.11946125
12865500	Exact_Mass	116.083729621
342681	XLogP3-AA	1.3
49855364	Non-hydrogen_Atom_Count	41
53316381	Hydrogen_Bond_Donor_Count	1
11430	Undefined_Atom_Stereo_Count	0
135564558	Undefined_Bond_Stereo_Count	0
9825070	Total_Formal_Charge	0
21595393	Total_Formal_Charge	1
133662452	Total_Formal_Charge	0
484651	Defined_Atom_Stereo_Count	0
21868890	XLogP3-AA	1.4
60942	Defined_Bond_Stereo_Count	0
25223	Undefined_Bond_Stereo_Count	0
534543	TPSA	43.4
71374162	Defined_Atom_Stereo_Count	0
688009	Isotope_Atom_Count	0
33353	Structure_Complexity	834
153380590	Defined_Bond_Stereo_Count	0
21583	Hydrogen_Bond_Acceptor_Count	1
27124	Non-hydrogen_Atom_Count	24
6436730	Covalent_Unit_Count	5
40467042	Undefined_Bond_Stereo_Count	0
7835	Structure_Complexity	37.9
71584271	Undefined_Atom_Stereo_Count	0
22591521	Structure_Complexity	104
4369496	Non-hydrogen_Atom_Count	36
15950520	XLogP3-AA	1.6
446947	Molecular_Weight	216.08
70681777	Structure_Complexity	668
78771	Total_Formal_Charge	0
71541189	Total_Formal_Charge	0
46780152	Molecular_Weight	416.6
35087	Covalent_Unit_Count	1
46891563	Covalent_Unit_Count	1
58992	XLogP3-AA	3.4
21673601	Non-hydrogen_Atom_Count	20
9795291	Rotatable_Bond_Count	4
54460486	Undefined_Bond_Stereo_Count	1
20141332	Isotope_Atom_Count	0
5327686	Non-hydrogen_Atom_Count	30
40704	Isotope_Atom_Count	0
5702065	Defined_Atom_Stereo_Count	1
11755113	Undefined_Atom_Stereo_Count	1
129486	Hydrogen_Bond_Donor_Count	0
130971261	Rotatable_Bond_Count	0
657210	Structure_Complexity	130
12313981	Hydrogen_Bond_Acceptor_Count	19
9366	Defined_Bond_Stereo_Count	0
3291	Undefined_Atom_Stereo_Count	1
410	Defined_Atom_Stereo_Count	0
91248258	Defined_Bond_Stereo_Count	0
6518	Rotatable_Bond_Count	8
134399	Exact_Mass	129.115364102
8102	Undefined_Atom_Stereo_Count	0
156614059	Covalent_Unit_Count	2
4323	Isotope_Atom_Count	0
44346	Defined_Atom_Stereo_Count	0
11550004	Hydrogen_Bond_Donor_Count	1
95578	TPSA	26.3
11115995	Isotope_Atom_Count	0
91759532	Isotope_Atom_Count	0
11815284	Defined_Atom_Stereo_Count	0
447634	Undefined_Atom_Stereo_Count	0
22021903	TPSA	38.7
165339	Isotope_Atom_Count	0
70692035	Hydrogen_Bond_Donor_Count	1
57449500	Structure_Complexity	84.4
11957635	TPSA	24.4
86231890	Molecular_Weight	110.15
5280053	Hydrogen_Bond_Donor_Count	3
10197668	Total_Formal_Charge	0
129651159	Undefined_Bond_Stereo_Count	0
17027464	Structure_Complexity	675
26758	Molecular_Weight	223.74
25188420	TPSA	83.5
61633	Exact_Mass	126.068079557
32048	Tautomer_Count	1
11193842	Rotatable_Bond_Count	4
145425718	TPSA	20.2
68321727	Defined_Bond_Stereo_Count	0
3034024	Defined_Atom_Stereo_Count	0
5878	Defined_Bond_Stereo_Count	0
6419928	Undefined_Atom_Stereo_Count	0
15747657	TPSA	99.6
524670	Hydrogen_Bond_Acceptor_Count	0
688803	Isotope_Atom_Count	0
12820525	Mono_Isotopic_Weight	98.073164938
6344	XLogP3-AA	1.5
15757501	Molecular_Weight	109.13
7652	Defined_Atom_Stereo_Count	0
13415147	Mono_Isotopic_Weight	118.074227566
65492	Mono_Isotopic_Weight	776.8541
135398747	XLogP3-AA	1
1549	Isotope_Atom_Count	0
6539028	Rotatable_Bond_Count	9
5283377	Mono_Isotopic_Weight	236.214015512
87714	Undefined_Atom_Stereo_Count	0
3081561	Exact_Mass	1679.5653479
444865	Isotope_Atom_Count	0
36094	Covalent_Unit_Count	2
20705517	Isotope_Atom_Count	0
7510	Defined_Atom_Stereo_Count	0
3359	Rotatable_Bond_Count	15
20058737	Total_Formal_Charge	0
78485	Structure_Complexity	17.6
449118	Non-hydrogen_Atom_Count	55
20852	Undefined_Bond_Stereo_Count	0
16051698	Hydrogen_Bond_Donor_Count	2
18183696	Defined_Bond_Stereo_Count	0
20812	Structure_Complexity	140
92043102	Hydrogen_Bond_Donor_Count	3
90132473	Mono_Isotopic_Weight	101.084063974
817	Total_Formal_Charge	0
77982	Defined_Atom_Stereo_Count	3
131407356	TPSA	51.8
548353	Covalent_Unit_Count	1
123922025	Total_Formal_Charge	0
12671783	Rotatable_Bond_Count	1
134687950	Rotatable_Bond_Count	4
89390	Hydrogen_Bond_Donor_Count	2
1646	Rotatable_Bond_Count	3
104727	Tautomer_Count	1
94149	Structure_Complexity	505
136070	Rotatable_Bond_Count	0
6814	Structure_Complexity	318
642799	Hydrogen_Bond_Donor_Count	0
2863945	Rotatable_Bond_Count	3
14502695	Covalent_Unit_Count	1
56963011	Total_Formal_Charge	0
94179	Undefined_Atom_Stereo_Count	0
135989	Molecular_Weight	82.14
6918173	Defined_Atom_Stereo_Count	12
87348	Defined_Bond_Stereo_Count	0
3427828	Undefined_Bond_Stereo_Count	0
7883	Rotatable_Bond_Count	2
6165447	Covalent_Unit_Count	1
101838	Defined_Atom_Stereo_Count	0
63179	Molecular_Weight	513.6
1970	Total_Formal_Charge	0
13721	Undefined_Bond_Stereo_Count	0
2861016	Undefined_Atom_Stereo_Count	4
440959	Covalent_Unit_Count	1
21841	Total_Formal_Charge	0
53846423	Rotatable_Bond_Count	6
399235	Isotope_Atom_Count	0
52943718	Defined_Atom_Stereo_Count	1
49865495	Exact_Mass	305.116426730
4927	Exact_Mass	284.13471982
33672	Isotope_Atom_Count	0
90547	Covalent_Unit_Count	2
58475	Defined_Atom_Stereo_Count	0
9832498	Undefined_Bond_Stereo_Count	0
60947	Hydrogen_Bond_Acceptor_Count	7
41793	Undefined_Bond_Stereo_Count	0
550719	Isotope_Atom_Count	0
14073	Total_Formal_Charge	0
62930	Covalent_Unit_Count	1
23702658	Hydrogen_Bond_Acceptor_Count	13
91347456	Rotatable_Bond_Count	1
537055	XLogP3-AA	14.3
619250	Non-hydrogen_Atom_Count	19
121719	Structure_Complexity	237
5048	Defined_Atom_Stereo_Count	0
5362792	Molecular_Weight	142.24
314787	Structure_Complexity	270
258	Molecular_Weight	422.4
44258737	Total_Formal_Charge	0
73608879	Undefined_Atom_Stereo_Count	0
60168629	Mono_Isotopic_Weight	381.15762283
11154711	Total_Formal_Charge	0
57674785	Non-hydrogen_Atom_Count	8
23664054	Molecular_Weight	248.16
80426	Isotope_Atom_Count	0
44809	Total_Formal_Charge	0
12210451	Mono_Isotopic_Weight	113.084063974
533519	Mono_Isotopic_Weight	106.053098200
162959	Mono_Isotopic_Weight	284.152477885
29761	XLogP3	2.8
54359	Mono_Isotopic_Weight	370.204513457
5473	Isotope_Atom_Count	0
12715	Isotope_Atom_Count	0
56623	Exact_Mass	309.03541696
1747	Total_Formal_Charge	0
91181590	Total_Formal_Charge	0
448014	TPSA	137
44421047	Undefined_Bond_Stereo_Count	0
139637653	Hydrogen_Bond_Acceptor_Count	2
108108	Total_Formal_Charge	0
5384293	Defined_Atom_Stereo_Count	0
57357013	Hydrogen_Bond_Donor_Count	1
112446	XLogP3-AA	3.7
10117987	Mono_Isotopic_Weight	503.23933582
809622	TPSA	82.9
19662	Exact_Mass	242.9756919
24900685	XLogP3-AA	2.3
19935257	TPSA	65.2
53320444	Defined_Atom_Stereo_Count	0
11325	Hydrogen_Bond_Acceptor_Count	2
54099616	Defined_Atom_Stereo_Count	0
24802	Exact_Mass	190.01135253
56972713	Hydrogen_Bond_Donor_Count	1
706	Hydrogen_Bond_Donor_Count	3
14327	Isotope_Atom_Count	0
14319	TPSA	66.9
14194343	Undefined_Atom_Stereo_Count	0
71259	TPSA	244
136513	Defined_Bond_Stereo_Count	0
542338	Non-hydrogen_Atom_Count	7
3823	Total_Formal_Charge	0
15942852	Mono_Isotopic_Weight	403.345029678
20281045	Total_Formal_Charge	0
612743	Mono_Isotopic_Weight	379.22597718
5326751	Molecular_Weight	568.3
41909	Rotatable_Bond_Count	1
110968	Non-hydrogen_Atom_Count	9
26310	Exact_Mass	326.0548604
51371486	Hydrogen_Bond_Donor_Count	1
134694856	Undefined_Bond_Stereo_Count	0
66576989	Covalent_Unit_Count	1
10707	TPSA	91.6
8005	Undefined_Atom_Stereo_Count	0
6419933	Defined_Atom_Stereo_Count	38
7048538	Mono_Isotopic_Weight	299.201105100
11278075	Covalent_Unit_Count	1
61375	Defined_Atom_Stereo_Count	0
56911	Molecular_Weight	214.3
137747	Exact_Mass	52.0313001276
16212182	Structure_Complexity	945
115260	Tautomer_Count	6
1491	Isotope_Atom_Count	0
10133975	XLogP3-AA	3.5
562362	Rotatable_Bond_Count	3
12867	Covalent_Unit_Count	1
14010333	Non-hydrogen_Atom_Count	23
55285	XLogP3-AA	4.9
88974	Hydrogen_Bond_Donor_Count	1
40326	TPSA	35.5
77290	Defined_Atom_Stereo_Count	0
2075	Hydrogen_Bond_Acceptor_Count	3
75534860	Exact_Mass	665.30474055
10815	Hydrogen_Bond_Donor_Count	2
117968974	Mono_Isotopic_Weight	284.16237386
87155	Total_Formal_Charge	0
25244017	Molecular_Weight	336.34
10499446	TPSA	72.5
890718	Defined_Atom_Stereo_Count	0
56845432	Mono_Isotopic_Weight	182.07594159
67533	Isotope_Atom_Count	0
26747	Rotatable_Bond_Count	7
154202106	Hydrogen_Bond_Acceptor_Count	4
22764074	Isotope_Atom_Count	0
11263485	Structure_Complexity	53.5
23080870	Undefined_Atom_Stereo_Count	0
18368760	XLogP3-AA	0.4
440194	Undefined_Bond_Stereo_Count	0
121285115	Isotope_Atom_Count	0
151916	Non-hydrogen_Atom_Count	14
11625818	Non-hydrogen_Atom_Count	31
91411367	Hydrogen_Bond_Acceptor_Count	0
12343986	Isotope_Atom_Count	0
155903765	Defined_Bond_Stereo_Count	0
66855878	Undefined_Atom_Stereo_Count	1
4407718	Rotatable_Bond_Count	5
83904778	Total_Formal_Charge	0
124655	Defined_Atom_Stereo_Count	0
9885961	Isotope_Atom_Count	0
637531	XLogP3	3.3
18730079	Isotope_Atom_Count	0
46780441	Hydrogen_Bond_Acceptor_Count	6
16412	Non-hydrogen_Atom_Count	15
5282493	Exact_Mass	494.2235301
82746	TPSA	75.8
88406	Total_Formal_Charge	0
5282549	Covalent_Unit_Count	1
66062	Covalent_Unit_Count	2
9822750	Covalent_Unit_Count	1
22726089	Defined_Atom_Stereo_Count	0
20562996	Undefined_Bond_Stereo_Count	0
518696	Undefined_Bond_Stereo_Count	0
75810	Defined_Atom_Stereo_Count	0
70291	Structure_Complexity	293
9548590	Molecular_Weight	391.6
10239	Undefined_Bond_Stereo_Count	0
9862646	Undefined_Bond_Stereo_Count	0
62884	Rotatable_Bond_Count	4
46533	Exact_Mass	180.04225873
134613	Defined_Bond_Stereo_Count	0
17754007	Undefined_Bond_Stereo_Count	0
11799	Hydrogen_Bond_Acceptor_Count	4
69341756	Covalent_Unit_Count	1
71311215	Isotope_Atom_Count	0
22015243	Non-hydrogen_Atom_Count	8
69333859	Hydrogen_Bond_Donor_Count	2
141013512	Non-hydrogen_Atom_Count	8
51029782	Total_Formal_Charge	0
4163	Hydrogen_Bond_Donor_Count	2
22138130	Undefined_Bond_Stereo_Count	0
89793222	Hydrogen_Bond_Acceptor_Count	2
322272	Defined_Atom_Stereo_Count	0
30822	Covalent_Unit_Count	1
455041	Mono_Isotopic_Weight	229.05211239
54325138	Undefined_Bond_Stereo_Count	0
11416	Hydrogen_Bond_Donor_Count	0
55246	Undefined_Bond_Stereo_Count	0
524236	Mono_Isotopic_Weight	109.089149355
14109	Covalent_Unit_Count	1
8317	Rotatable_Bond_Count	0
9547150	Total_Formal_Charge	0
8973	Structure_Complexity	150
69215	TPSA	52.6
20607916	Hydrogen_Bond_Donor_Count	0
22880	Defined_Bond_Stereo_Count	0
24809526	Molecular_Weight	373.4
65759	Structure_Complexity	582
535532	Covalent_Unit_Count	1
94715	Non-hydrogen_Atom_Count	13
102239676	Non-hydrogen_Atom_Count	28
36245	XLogP3-AA	2
165363121	Rotatable_Bond_Count	1
73357753	Defined_Atom_Stereo_Count	0
3036905	Total_Formal_Charge	0
138107	Undefined_Bond_Stereo_Count	0
5535	Hydrogen_Bond_Donor_Count	9
19604021	Undefined_Bond_Stereo_Count	0
60976	Molecular_Weight	215.23
449688	Undefined_Bond_Stereo_Count	0
12702413	Hydrogen_Bond_Donor_Count	1
76126	Hydrogen_Bond_Donor_Count	0
3192	Molecular_Weight	338.5
332226	Isotope_Atom_Count	0
12560816	Undefined_Atom_Stereo_Count	0
71970	Molecular_Weight	363.4
11336492	Mono_Isotopic_Weight	330.0270564
92968	Isotope_Atom_Count	0
17769	Hydrogen_Bond_Donor_Count	0
2815	Total_Formal_Charge	0
309266	Undefined_Atom_Stereo_Count	0
12309521	XLogP3	2.9
54344827	Defined_Bond_Stereo_Count	0
3482	Rotatable_Bond_Count	1
13661	Non-hydrogen_Atom_Count	13
41718	Hydrogen_Bond_Donor_Count	0
254139	Undefined_Bond_Stereo_Count	0
42613186	Molecular_Weight	592.7
520305	Rotatable_Bond_Count	0
14880677	Molecular_Weight	113.16
4226	Covalent_Unit_Count	1
56746	Exact_Mass	391.03202
5360232	Hydrogen_Bond_Donor_Count	1
12656145	Covalent_Unit_Count	1
63834	Structure_Complexity	608
9373	Hydrogen_Bond_Donor_Count	1
165154846	Exact_Mass	112.052429494
79966	Exact_Mass	231.9516414
50262	XLogP3-AA	1
57031137	Non-hydrogen_Atom_Count	8
8639	Undefined_Atom_Stereo_Count	0
8069	Rotatable_Bond_Count	2
76318	Undefined_Bond_Stereo_Count	0
44475990	Defined_Atom_Stereo_Count	0
10920454	Molecular_Weight	102.09
90148216	Undefined_Bond_Stereo_Count	0
88494	Hydrogen_Bond_Donor_Count	4
70769	Covalent_Unit_Count	1
5333	Hydrogen_Bond_Donor_Count	2
20064163	TPSA	46.2
53322367	TPSA	57
67233382	Hydrogen_Bond_Donor_Count	2
10613	Mono_Isotopic_Weight	200.00693585
3237289	TPSA	66.1
46203139	Defined_Bond_Stereo_Count	0
57404185	Covalent_Unit_Count	2
11020241	Defined_Atom_Stereo_Count	2
303830	Structure_Complexity	67.4
115817	Undefined_Bond_Stereo_Count	0
59850618	Undefined_Bond_Stereo_Count	0
21893333	Covalent_Unit_Count	1
73949	Hydrogen_Bond_Donor_Count	1
21545139	Molecular_Weight	97.12
8989	Mono_Isotopic_Weight	416.365430770
4216	Exact_Mass	416.00555
44119602	Undefined_Bond_Stereo_Count	0
118360945	XLogP3-AA	1.2
10449	Rotatable_Bond_Count	2
67797735	TPSA	130
18329551	Defined_Atom_Stereo_Count	0
55264361	Total_Formal_Charge	0
78320408	Covalent_Unit_Count	1
135410344	Defined_Bond_Stereo_Count	0
11051587	TPSA	9.2
59295958	Isotope_Atom_Count	0
796857	Hydrogen_Bond_Acceptor_Count	2
86742405	XLogP3-AA	1.5
14869	TPSA	49.3
58125087	Molecular_Weight	109.13
12302648	Undefined_Bond_Stereo_Count	0
66708	Defined_Atom_Stereo_Count	0
5318998	Rotatable_Bond_Count	6
76485	TPSA	27.7
11194317	Defined_Atom_Stereo_Count	0
2752647	Non-hydrogen_Atom_Count	7
20056950	Covalent_Unit_Count	1
14094187	Undefined_Bond_Stereo_Count	0
15670683	Molecular_Weight	87.12
74600475	Hydrogen_Bond_Donor_Count	3
163050683	Non-hydrogen_Atom_Count	20
710762	Defined_Bond_Stereo_Count	0
68790	XLogP3	3
66112	Defined_Bond_Stereo_Count	0
975767	Non-hydrogen_Atom_Count	17
26295	Structure_Complexity	175
62478	Rotatable_Bond_Count	0
6918188	Exact_Mass	733.15140
6844	Exact_Mass	188.047344113
11571792	Hydrogen_Bond_Donor_Count	1
91884833	Defined_Atom_Stereo_Count	6
6266	Defined_Atom_Stereo_Count	0
90876	Structure_Complexity	834
543706	Mono_Isotopic_Weight	114.068079557
12207545	Structure_Complexity	75.4
92039518	Defined_Atom_Stereo_Count	0
155907170	Non-hydrogen_Atom_Count	32
68316758	Non-hydrogen_Atom_Count	8
10228	Undefined_Bond_Stereo_Count	0
129801083	Molecular_Weight	82.10
4005	Molecular_Weight	529.7
82322	Undefined_Atom_Stereo_Count	0
64617	Covalent_Unit_Count	1
71905	Non-hydrogen_Atom_Count	19
73162904	Defined_Bond_Stereo_Count	0
57725	Mono_Isotopic_Weight	286.099379685
15561101	TPSA	56
538972	Undefined_Atom_Stereo_Count	0
73934	Non-hydrogen_Atom_Count	8
8678	Non-hydrogen_Atom_Count	13
71455340	Undefined_Bond_Stereo_Count	0
118161592	Defined_Bond_Stereo_Count	0
21900379	Rotatable_Bond_Count	4
6158	Covalent_Unit_Count	1
87338910	Hydrogen_Bond_Donor_Count	2
24729333	XLogP3-AA	1.5
39066	Defined_Bond_Stereo_Count	0
40666	Tautomer_Count	1
68517380	Undefined_Atom_Stereo_Count	0
10057477	Rotatable_Bond_Count	0
84715993	Hydrogen_Bond_Donor_Count	1
58746	Isotope_Atom_Count	0
9970749	Exact_Mass	277.0188941
45488108	Defined_Atom_Stereo_Count	1
8364	Defined_Bond_Stereo_Count	0
8020	Rotatable_Bond_Count	2
54205474	TPSA	12
492	Defined_Bond_Stereo_Count	0
23668568	Molecular_Weight	431.5
25030387	Undefined_Bond_Stereo_Count	0
69227465	Undefined_Atom_Stereo_Count	0
5280608	Hydrogen_Bond_Acceptor_Count	4
83193	TPSA	30.4
19352068	Total_Formal_Charge	0
12432039	Rotatable_Bond_Count	0
5280492	Total_Formal_Charge	0
9399	Structure_Complexity	544
26423	Exact_Mass	319.925559
10297818	Undefined_Atom_Stereo_Count	0
67268	XLogP3-AA	3.7
2451	Undefined_Bond_Stereo_Count	0
16622	Defined_Bond_Stereo_Count	0
163432987	Isotope_Atom_Count	0
66080	Structure_Complexity	92.6
43704	Defined_Atom_Stereo_Count	0
12544	Undefined_Bond_Stereo_Count	0
99646	Hydrogen_Bond_Donor_Count	0
16130571	Tautomer_Count	1001
80455	Covalent_Unit_Count	1
31620	Exact_Mass	548.24036665
9883104	Defined_Bond_Stereo_Count	0
14675	Structure_Complexity	363
10250607	Defined_Bond_Stereo_Count	0
6335507	Rotatable_Bond_Count	10
10532	Covalent_Unit_Count	2
6479653	TPSA	355
19349	Defined_Atom_Stereo_Count	0
92023654	Hydrogen_Bond_Acceptor_Count	14
12778904	Covalent_Unit_Count	1
16324	Total_Formal_Charge	0
70544	Tautomer_Count	4
9109	Hydrogen_Bond_Donor_Count	0
24090	Hydrogen_Bond_Donor_Count	0
102151488	Hydrogen_Bond_Donor_Count	0
2881	Molecular_Weight	466.3
25875	Rotatable_Bond_Count	5
42613186	Exact_Mass	592.34319175
11818	Structure_Complexity	296
12088	Defined_Atom_Stereo_Count	0
11804710	Covalent_Unit_Count	1
5284382	Tautomer_Count	1
21417010	Hydrogen_Bond_Donor_Count	4
519946	Structure_Complexity	47.9
19073515	Undefined_Atom_Stereo_Count	1
2733224	TPSA	47.4
16760374	TPSA	324
54463873	Isotope_Atom_Count	0
23555879	Defined_Atom_Stereo_Count	0
9904	Undefined_Bond_Stereo_Count	0
288862	TPSA	0
10008	Undefined_Bond_Stereo_Count	0
40772	Isotope_Atom_Count	0
31242	Hydrogen_Bond_Donor_Count	1
87251056	Defined_Atom_Stereo_Count	0
175945	Non-hydrogen_Atom_Count	23
5318517	Non-hydrogen_Atom_Count	25
10351672	Exact_Mass	114.068079557
9794056	Hydrogen_Bond_Donor_Count	5
43936	Structure_Complexity	422
57357013	Covalent_Unit_Count	1
9903291	Molecular_Weight	259.31
2724192	Undefined_Atom_Stereo_Count	0
74746	Molecular_Weight	220.22
25050	Isotope_Atom_Count	0
221126	Undefined_Atom_Stereo_Count	0
405741	Non-hydrogen_Atom_Count	21
9935073	Exact_Mass	484.1419441
25227436	Mono_Isotopic_Weight	428.1727518
23981	Mono_Isotopic_Weight	152.92124
5103	Covalent_Unit_Count	1
1549107	Structure_Complexity	265
1318	Defined_Bond_Stereo_Count	0
10498206	Isotope_Atom_Count	0
154734173	TPSA	55.4
118897473	XLogP3-AA	6.9
53315103	Undefined_Bond_Stereo_Count	0
84665	Total_Formal_Charge	0
71307072	Tautomer_Count	1
2737121	Undefined_Bond_Stereo_Count	0
66622526	Undefined_Bond_Stereo_Count	0
20544	Structure_Complexity	117
9774	TPSA	20.2
566849	Exact_Mass	168.09727168
933	Undefined_Bond_Stereo_Count	0
8569	XLogP3	3.3
60196304	TPSA	138
139145	Rotatable_Bond_Count	3
6918203	Non-hydrogen_Atom_Count	29
6501	Undefined_Atom_Stereo_Count	2
9866622	Undefined_Atom_Stereo_Count	5
5173	Hydrogen_Bond_Donor_Count	4
673845	Rotatable_Bond_Count	3
6351	Isotope_Atom_Count	0
44629714	Undefined_Atom_Stereo_Count	0
20392	TPSA	63.6
69315	Molecular_Weight	290.4
591519	Tautomer_Count	2
441358	Defined_Atom_Stereo_Count	0
543995	Non-hydrogen_Atom_Count	8
76922	Structure_Complexity	92.3
55404	Covalent_Unit_Count	1
5111	Undefined_Bond_Stereo_Count	0
70544	TPSA	15.3
74195	Molecular_Weight	266.4
22341858	Hydrogen_Bond_Donor_Count	2
158785912	Hydrogen_Bond_Donor_Count	5
149514711	TPSA	9.2
5478986	Defined_Bond_Stereo_Count	0
19083150	Rotatable_Bond_Count	0
136037281	Defined_Bond_Stereo_Count	0
6700	Isotope_Atom_Count	0
58376816	Defined_Bond_Stereo_Count	0
136873	Covalent_Unit_Count	1
6401	Mono_Isotopic_Weight	253.79003
37906	Hydrogen_Bond_Acceptor_Count	3
12491241	Defined_Atom_Stereo_Count	0
119097769	XLogP3-AA	0.6
5289104	Covalent_Unit_Count	1
1175	Hydrogen_Bond_Acceptor_Count	3
393602	Exact_Mass	434.17293854
4477	Mono_Isotopic_Weight	325.9861121
18342355	Total_Formal_Charge	0
542317	Total_Formal_Charge	0
54427	Molecular_Weight	263.29
46937007	Rotatable_Bond_Count	6
564457	Defined_Atom_Stereo_Count	0
16490	TPSA	94.8
24203	Rotatable_Bond_Count	0
11409972	Mono_Isotopic_Weight	529.24130771
86851	Hydrogen_Bond_Donor_Count	1
8393	Undefined_Atom_Stereo_Count	0
16095274	Undefined_Bond_Stereo_Count	0
23676152	Defined_Bond_Stereo_Count	0
9491	Total_Formal_Charge	0
8354	Undefined_Bond_Stereo_Count	0
11332471	Hydrogen_Bond_Donor_Count	1
570	Total_Formal_Charge	0
11955855	Rotatable_Bond_Count	5
14619629	Total_Formal_Charge	0
20553	Hydrogen_Bond_Acceptor_Count	2
106823823	Mono_Isotopic_Weight	116.083729621
75502	Covalent_Unit_Count	1
54175	Total_Formal_Charge	0
21639832	Molecular_Weight	101.15
55515	Total_Formal_Charge	0
9887712	Exact_Mass	408.1339662
46841215	Rotatable_Bond_Count	7
5367412	Non-hydrogen_Atom_Count	11
6437842	Defined_Bond_Stereo_Count	1
11931	TPSA	0
16051	XLogP3-AA	4
71681473	Isotope_Atom_Count	0
3641	Exact_Mass	404.21988874
20772203	TPSA	41.5
521491	Covalent_Unit_Count	1
4722595	Total_Formal_Charge	0
643587	Non-hydrogen_Atom_Count	9
11399764	Covalent_Unit_Count	1
91825573	Undefined_Bond_Stereo_Count	0
4205685	Total_Formal_Charge	0
98051220	Mono_Isotopic_Weight	361.875716
10176216	Covalent_Unit_Count	4
96490	Total_Formal_Charge	0
30190	Molecular_Weight	414.5
557816	Mono_Isotopic_Weight	112.052429494
3019305	Hydrogen_Bond_Donor_Count	1
13635047	XLogP3-AA	0.2
305	Rotatable_Bond_Count	2
54316592	Defined_Bond_Stereo_Count	0
94335	Total_Formal_Charge	0
11150163	Undefined_Bond_Stereo_Count	0
81261	Hydrogen_Bond_Acceptor_Count	2
57395308	Molecular_Weight	616.7
41508	Undefined_Bond_Stereo_Count	0
70681777	XLogP3-AA	2.2
6917972	Isotope_Atom_Count	0
150929	Hydrogen_Bond_Donor_Count	3
18366133	XLogP3-AA	0.1
27211	Isotope_Atom_Count	0
68844	Undefined_Atom_Stereo_Count	0
64111	Structure_Complexity	693
89359	Total_Formal_Charge	0
28871	XLogP3	5.2
27491	Molecular_Weight	162.15
71308226	Rotatable_Bond_Count	7
150748	Hydrogen_Bond_Donor_Count	0
114709	Structure_Complexity	347
20491	Hydrogen_Bond_Acceptor_Count	3
398640	XLogP3-AA	4.4
88269064	Total_Formal_Charge	0
22203	Non-hydrogen_Atom_Count	24
519247	Total_Formal_Charge	0
13378967	Covalent_Unit_Count	1
12707110	Mono_Isotopic_Weight	85.052763847
87216	Molecular_Weight	337.37
3137736	Hydrogen_Bond_Donor_Count	1
11020241	Structure_Complexity	232
43961	Covalent_Unit_Count	1
54584753	Isotope_Atom_Count	0
6431226	Non-hydrogen_Atom_Count	14
12927948	Total_Formal_Charge	0
263373	Covalent_Unit_Count	1
36552	XLogP3	0
8908	Structure_Complexity	89.3
201874	TPSA	44.1
90687044	Molecular_Weight	109.13
501640	Hydrogen_Bond_Acceptor_Count	5
14974	Molecular_Weight	867.0
135911835	Hydrogen_Bond_Donor_Count	1
1548971	Defined_Atom_Stereo_Count	2
135444779	Covalent_Unit_Count	1
2192	Covalent_Unit_Count	1
13362585	Covalent_Unit_Count	1
52940883	Total_Formal_Charge	0
15632248	Isotope_Atom_Count	0
15627	TPSA	0
87119843	Rotatable_Bond_Count	10
22553	Undefined_Bond_Stereo_Count	0
140229084	Exact_Mass	97.052763847
76044	Total_Formal_Charge	0
27492	Undefined_Bond_Stereo_Count	0
6473882	TPSA	225
54392263	Structure_Complexity	66.8
67383967	Structure_Complexity	536
5310993	Undefined_Bond_Stereo_Count	0
23677971	Mono_Isotopic_Weight	121.99554345
60196430	Hydrogen_Bond_Donor_Count	0
47866	Molecular_Weight	166.18
134688930	Undefined_Bond_Stereo_Count	0
16124208	Total_Formal_Charge	0
101938021	Non-hydrogen_Atom_Count	18
28315	Total_Formal_Charge	0
9852904	Exact_Mass	677.2535602
446513	Undefined_Atom_Stereo_Count	1
71720675	Rotatable_Bond_Count	4
208838	Structure_Complexity	379
12431567	Structure_Complexity	86.4
92950	Exact_Mass	158.178298710
17769620	Undefined_Bond_Stereo_Count	0
1732	Non-hydrogen_Atom_Count	9
5484731	Molecular_Weight	461.5
18616052	Hydrogen_Bond_Donor_Count	2
81902	Exact_Mass	184.0654927
12176	Non-hydrogen_Atom_Count	7
77173	Isotope_Atom_Count	0
135564632	Exact_Mass	289.0618043
20326	XLogP3	5.8
31098	Total_Formal_Charge	0
53964574	Defined_Atom_Stereo_Count	0
129693502	Defined_Bond_Stereo_Count	0
24916869	Hydrogen_Bond_Acceptor_Count	5
851045	XLogP3-AA	0.5
78006	Tautomer_Count	1
6398764	Covalent_Unit_Count	2
139085145	Covalent_Unit_Count	1
91612119	Mono_Isotopic_Weight	114.068079557
956	Covalent_Unit_Count	1
69333884	Mono_Isotopic_Weight	107.048347172
69787	Non-hydrogen_Atom_Count	12
7710	Defined_Atom_Stereo_Count	0
154081962	Defined_Bond_Stereo_Count	0
696	Undefined_Bond_Stereo_Count	0
20055414	Covalent_Unit_Count	1
53346593	Exact_Mass	104.047344113
13082452	XLogP3-AA	1
10011870	Total_Formal_Charge	0
141281584	Exact_Mass	114.104465066
3739682	Undefined_Atom_Stereo_Count	0
68711	Rotatable_Bond_Count	14
4047	Rotatable_Bond_Count	5
2474	Isotope_Atom_Count	0
423792	TPSA	66.4
13382623	Covalent_Unit_Count	1
634	Exact_Mass	214.02423968
5017	TPSA	63.6
12255457	Undefined_Bond_Stereo_Count	0
82111162	Exact_Mass	115.099714038
57179768	Hydrogen_Bond_Donor_Count	1
450598	TPSA	83.6
1201549	Isotope_Atom_Count	0
66414	Defined_Bond_Stereo_Count	0
198576	Molecular_Weight	313.5
12696419	Hydrogen_Bond_Acceptor_Count	2
87394	Hydrogen_Bond_Donor_Count	0
428	Mono_Isotopic_Weight	74.084398327
10867835	Structure_Complexity	230
24341	Non-hydrogen_Atom_Count	2
443157	Defined_Atom_Stereo_Count	1
480242	Exact_Mass	214.07020481
11137118	Mono_Isotopic_Weight	109.052763847
5314123	Defined_Atom_Stereo_Count	0
13204363	Non-hydrogen_Atom_Count	6
135565589	Defined_Atom_Stereo_Count	4
5281912	TPSA	74.6
7156900	Non-hydrogen_Atom_Count	23
142852216	TPSA	29.5
25512	Undefined_Bond_Stereo_Count	0
24838310	Hydrogen_Bond_Donor_Count	3
16134490	XLogP3-AA	4.5
219601	Undefined_Atom_Stereo_Count	1
6028739	Defined_Atom_Stereo_Count	0
12947674	Hydrogen_Bond_Acceptor_Count	2
23527	Molecular_Weight	114.19
78224604	Defined_Atom_Stereo_Count	2
688145	Defined_Atom_Stereo_Count	0
14027329	Undefined_Bond_Stereo_Count	0
7105	Exact_Mass	221.084063974
10329273	Defined_Bond_Stereo_Count	0
13190463	Total_Formal_Charge	0
12355	Molecular_Weight	102.17
643941	Hydrogen_Bond_Acceptor_Count	1
54288820	TPSA	57.5
4566	Undefined_Bond_Stereo_Count	0
17997105	Structure_Complexity	91.7
11379	Isotope_Atom_Count	0
79129	Covalent_Unit_Count	1
90192	Rotatable_Bond_Count	11
54676539	Undefined_Bond_Stereo_Count	0
11241863	Molecular_Weight	237.25
2828708	TPSA	29.1
73698	Molecular_Weight	236.26
6537503	Defined_Atom_Stereo_Count	0
22728753	Undefined_Bond_Stereo_Count	0
72566	Tautomer_Count	1
53464	XLogP3	3.7
14767815	XLogP3-AA	0.6
154066059	Molecular_Weight	110.07
23465004	Defined_Atom_Stereo_Count	0
27492	Hydrogen_Bond_Acceptor_Count	2
5460588	Defined_Bond_Stereo_Count	0
23725019	Isotope_Atom_Count	0
22998467	Defined_Bond_Stereo_Count	0
6709	Undefined_Bond_Stereo_Count	0
140334	Total_Formal_Charge	0
44455012	Rotatable_Bond_Count	6
9833652	Total_Formal_Charge	0
17779323	Covalent_Unit_Count	1
11245456	Hydrogen_Bond_Donor_Count	1
123911014	Undefined_Atom_Stereo_Count	0
12560918	Defined_Bond_Stereo_Count	0
13838145	Total_Formal_Charge	0
29872	Undefined_Atom_Stereo_Count	0
57392871	Total_Formal_Charge	0
42095	Tautomer_Count	1
6918191	Covalent_Unit_Count	1
3062316	Structure_Complexity	642
11503692	Molecular_Weight	467.5
10028830	Exact_Mass	497.19844227
53465849	Total_Formal_Charge	0
18727534	TPSA	27.1
5281104	Total_Formal_Charge	0
1247	Hydrogen_Bond_Acceptor_Count	5
109094	Undefined_Atom_Stereo_Count	0
53954226	Rotatable_Bond_Count	0
9816483	XLogP3-AA	3
5324289	Defined_Bond_Stereo_Count	0
19738571	Non-hydrogen_Atom_Count	7
140159201	Isotope_Atom_Count	0
756126	Undefined_Atom_Stereo_Count	0
21584701	Tautomer_Count	1
21998678	Structure_Complexity	138
25244355	Undefined_Bond_Stereo_Count	0
964856	Defined_Bond_Stereo_Count	0
98491	Total_Formal_Charge	0
24257	Molecular_Weight	181.32
20320770	Structure_Complexity	92.6
15568242	Rotatable_Bond_Count	1
17930355	Isotope_Atom_Count	0
122360911	Hydrogen_Bond_Acceptor_Count	6
11957609	Mono_Isotopic_Weight	433.21005233
3117357	Rotatable_Bond_Count	1
4385787	Mono_Isotopic_Weight	238.00384591
213043	Structure_Complexity	515
11147	Hydrogen_Bond_Donor_Count	0
64515031	Undefined_Bond_Stereo_Count	0
5850	Non-hydrogen_Atom_Count	17
30199	Non-hydrogen_Atom_Count	12
48362	Defined_Bond_Stereo_Count	0
66071	Exact_Mass	88.100048391
3009817	Undefined_Atom_Stereo_Count	0
99069	Non-hydrogen_Atom_Count	22
65726	Defined_Atom_Stereo_Count	0
46724	XLogP3-AA	2.6
32995	Mono_Isotopic_Weight	220.121177757
2000	Undefined_Atom_Stereo_Count	1
26070	Mono_Isotopic_Weight	133.089149355
517072	TPSA	49.4
60196410	Exact_Mass	588.2463106
156617951	Mono_Isotopic_Weight	342.11621151
3262020	Exact_Mass	135.01159025
47576	XLogP3	4.3
156963715	Hydrogen_Bond_Donor_Count	8
70582	Defined_Bond_Stereo_Count	0
134826477	Hydrogen_Bond_Acceptor_Count	22
11073376	Hydrogen_Bond_Donor_Count	2
70751	Total_Formal_Charge	0
15122	Defined_Bond_Stereo_Count	0
135539077	Hydrogen_Bond_Acceptor_Count	7
20387237	Undefined_Atom_Stereo_Count	2
163613625	Total_Formal_Charge	0
88589624	Hydrogen_Bond_Donor_Count	7
9847494	Undefined_Bond_Stereo_Count	0
55900	Defined_Bond_Stereo_Count	0
439368	Mono_Isotopic_Weight	130.062994177
10523409	Structure_Complexity	388
155970341	Undefined_Bond_Stereo_Count	1
13147550	Undefined_Atom_Stereo_Count	0
11249342	Undefined_Bond_Stereo_Count	0
134008	Defined_Bond_Stereo_Count	0
168928	Rotatable_Bond_Count	1
6442568	TPSA	43.1
442021	Undefined_Atom_Stereo_Count	0
91223	Isotope_Atom_Count	0
54020983	Non-hydrogen_Atom_Count	9
50856	Structure_Complexity	124
145937	Total_Formal_Charge	0
129009929	Hydrogen_Bond_Acceptor_Count	5
6906	Hydrogen_Bond_Acceptor_Count	0
46127	Total_Formal_Charge	1
4646	XLogP3	1.6
72670730	Structure_Complexity	822
466959	Undefined_Atom_Stereo_Count	0
129669846	Defined_Bond_Stereo_Count	0
2804680	Mono_Isotopic_Weight	283.0211625
11549937	Structure_Complexity	1750
139254656	Mono_Isotopic_Weight	242.07251349
54326118	Exact_Mass	110.048012819
16886	Mono_Isotopic_Weight	228.08585488
102724	Tautomer_Count	3
88212048	Molecular_Weight	118.13
1242	Structure_Complexity	291
143683872	Covalent_Unit_Count	1
13734170	Exact_Mass	98.036779430
17473	Molecular_Weight	580.28
44599207	XLogP3-AA	4.8
60937	Hydrogen_Bond_Donor_Count	4
71884	Exact_Mass	710.30978362
23450	Molecular_Weight	137.14
10347	Molecular_Weight	200.10
14920524	XLogP3-AA	0.5
12774540	Isotope_Atom_Count	0
6450278	Undefined_Atom_Stereo_Count	0
136501	Tautomer_Count	1
9955175	Undefined_Atom_Stereo_Count	3
61048	Rotatable_Bond_Count	4
119828	XLogP3-AA	3.3
5256168	Undefined_Bond_Stereo_Count	0
7261	Hydrogen_Bond_Donor_Count	2
11966199	Total_Formal_Charge	0
49784084	Structure_Complexity	655
1981	Undefined_Atom_Stereo_Count	0
42268	Isotope_Atom_Count	0
22002061	Molecular_Weight	116.16
523251	Non-hydrogen_Atom_Count	8
118248246	Molecular_Weight	108.10
3553	Undefined_Atom_Stereo_Count	8
2063	Defined_Bond_Stereo_Count	0
73891153	Covalent_Unit_Count	1
10241442	Structure_Complexity	168
4320774	XLogP3-AA	3.1
43515	Non-hydrogen_Atom_Count	24
56841936	Tautomer_Count	1
71719561	Defined_Atom_Stereo_Count	0
20243371	Mono_Isotopic_Weight	160.94971364
156580566	XLogP3-AA	3.2
163853278	Undefined_Bond_Stereo_Count	0
16351	Covalent_Unit_Count	1
19604274	Structure_Complexity	267
66885	Hydrogen_Bond_Donor_Count	2
90471707	Rotatable_Bond_Count	6
71306415	Covalent_Unit_Count	2
141169622	Non-hydrogen_Atom_Count	7
7401	Rotatable_Bond_Count	2
123698	Molecular_Weight	295.8
20495	Defined_Bond_Stereo_Count	0
24770445	Covalent_Unit_Count	1
131954773	Hydrogen_Bond_Acceptor_Count	9
18626415	Molecular_Weight	102.13
70687384	Rotatable_Bond_Count	3
74319	Molecular_Weight	197.23
10007	Undefined_Bond_Stereo_Count	0
16659676	Exact_Mass	449.1490768
12738	Hydrogen_Bond_Donor_Count	0
12297	Covalent_Unit_Count	1
18955656	Non-hydrogen_Atom_Count	8
89724935	Structure_Complexity	122
131770024	TPSA	57.2
5727	Defined_Bond_Stereo_Count	0
123611214	Mono_Isotopic_Weight	112.088815002
67172	Molecular_Weight	410.5
129679806	Undefined_Bond_Stereo_Count	0
11064502	Covalent_Unit_Count	3
144179158	TPSA	0
3548	Undefined_Bond_Stereo_Count	0
85286	Total_Formal_Charge	2
42665	Hydrogen_Bond_Acceptor_Count	1
155977984	Covalent_Unit_Count	1
43905	Total_Formal_Charge	0
541675	Total_Formal_Charge	0
14177406	Molecular_Weight	101.15
5460765	Hydrogen_Bond_Donor_Count	3
61030	Defined_Atom_Stereo_Count	0
90420227	Non-hydrogen_Atom_Count	8
11696668	Defined_Bond_Stereo_Count	0
4973	Isotope_Atom_Count	0
54587229	Undefined_Atom_Stereo_Count	0
89027467	Hydrogen_Bond_Acceptor_Count	1
8400	Mono_Isotopic_Weight	212.083729621
90305308	Undefined_Bond_Stereo_Count	0
18757800	Non-hydrogen_Atom_Count	10
3081	Structure_Complexity	173
535031	Structure_Complexity	128
162236685	Covalent_Unit_Count	1
165295	Rotatable_Bond_Count	3
160419	Rotatable_Bond_Count	1
5282745	Hydrogen_Bond_Acceptor_Count	2
60165517	Mono_Isotopic_Weight	314.12644076
274075	Covalent_Unit_Count	1
96886	Rotatable_Bond_Count	4
19935251	Rotatable_Bond_Count	0
65835	Defined_Bond_Stereo_Count	0
78099560	Mono_Isotopic_Weight	462.1686514
133667882	Hydrogen_Bond_Acceptor_Count	1
53881088	Mono_Isotopic_Weight	111.032028402
25261	Covalent_Unit_Count	2
692058	Undefined_Atom_Stereo_Count	0
148763531	Defined_Atom_Stereo_Count	0
273166	Isotope_Atom_Count	0
59043	Defined_Atom_Stereo_Count	0
2639	Undefined_Bond_Stereo_Count	1
6423	Rotatable_Bond_Count	0
53675483	Undefined_Atom_Stereo_Count	1
2877	Defined_Bond_Stereo_Count	0
54892	Structure_Complexity	648
25323014	Structure_Complexity	254
102552746	Undefined_Bond_Stereo_Count	0
24871329	Mono_Isotopic_Weight	639.8696636
235738	Hydrogen_Bond_Acceptor_Count	3
14453672	Molecular_Weight	114.19
9576089	Tautomer_Count	1
19651	Exact_Mass	529.953300
99645	Mono_Isotopic_Weight	300.15862589
43146	Structure_Complexity	327
135565574	Mono_Isotopic_Weight	547.0233748
83971	Undefined_Bond_Stereo_Count	0
10029970	Isotope_Atom_Count	0
135802074	TPSA	226
16850	Hydrogen_Bond_Acceptor_Count	5
146474223	TPSA	27.7
12844	Undefined_Atom_Stereo_Count	1
4369233	Defined_Bond_Stereo_Count	1
11778544	Defined_Atom_Stereo_Count	0
1340	Hydrogen_Bond_Donor_Count	2
23665411	Tautomer_Count	15
122356	Non-hydrogen_Atom_Count	9
9877608	Isotope_Atom_Count	0
12730529	Mono_Isotopic_Weight	156.078644241
99132	Total_Formal_Charge	0
3002977	Isotope_Atom_Count	0
506015	Molecular_Weight	375.4
44303980	Exact_Mass	408.28757437
71587637	Mono_Isotopic_Weight	425.06122
24776140	TPSA	77.4
58746	Covalent_Unit_Count	2
67409138	Mono_Isotopic_Weight	112.03851076
54401118	Mono_Isotopic_Weight	82.053098200
23483	XLogP3	0.9
22406051	Defined_Atom_Stereo_Count	0
3519901	Exact_Mass	340.13107373
881	Exact_Mass	15.0234750957
2624	Covalent_Unit_Count	1
51380890	Molecular_Weight	275.73
156212	Hydrogen_Bond_Donor_Count	0
85141	Mono_Isotopic_Weight	185.96803
72200940	Hydrogen_Bond_Donor_Count	1
83678852	Hydrogen_Bond_Acceptor_Count	4
4051541	Structure_Complexity	90.7
78683	Molecular_Weight	116.20
77332	Rotatable_Bond_Count	5
14027412	Non-hydrogen_Atom_Count	8
47979	TPSA	119
19693843	Defined_Atom_Stereo_Count	0
57697	Structure_Complexity	489
638178	Covalent_Unit_Count	2
60822	Tautomer_Count	3
46909057	Structure_Complexity	557
12245594	Total_Formal_Charge	0
177843	Defined_Atom_Stereo_Count	0
411051	TPSA	33.1
70811	Undefined_Bond_Stereo_Count	0
4850	XLogP3-AA	1.8
12508473	Isotope_Atom_Count	0
98136	Undefined_Bond_Stereo_Count	1
45256294	Hydrogen_Bond_Acceptor_Count	6
123565918	Molecular_Weight	108.18
2735001	Mono_Isotopic_Weight	172.07355886
86873	Defined_Bond_Stereo_Count	0
142507	Defined_Bond_Stereo_Count	0
478951	Total_Formal_Charge	0
123583138	Defined_Bond_Stereo_Count	0
18357	Defined_Bond_Stereo_Count	0
3283	Hydrogen_Bond_Acceptor_Count	1
69892	Exact_Mass	189.115364102
60627	Structure_Complexity	539
24211936	XLogP3	0.9
13522	Undefined_Bond_Stereo_Count	0
5059	Mono_Isotopic_Weight	335.188529040
124838013	Rotatable_Bond_Count	11
154170332	Undefined_Bond_Stereo_Count	0
66201	XLogP3-AA	0.6
61017	Molecular_Weight	129.24
11672491	Tautomer_Count	3
701038	Non-hydrogen_Atom_Count	19
12465459	Hydrogen_Bond_Donor_Count	0
123479258	Exact_Mass	97.089149355
2335	Exact_Mass	412.321554582
853747	Exact_Mass	195.9595035
688563	Hydrogen_Bond_Acceptor_Count	4
62232603	Hydrogen_Bond_Donor_Count	1
20793292	Rotatable_Bond_Count	0
598	Molecular_Weight	142.20
102856	Total_Formal_Charge	0
13065	Hydrogen_Bond_Acceptor_Count	0
534204	Structure_Complexity	112
28876	Undefined_Atom_Stereo_Count	0
69488	Defined_Bond_Stereo_Count	0
132031748	Total_Formal_Charge	0
156497240	Covalent_Unit_Count	1
7021156	Molecular_Weight	118.17
86278324	Defined_Bond_Stereo_Count	0
74329758	Undefined_Atom_Stereo_Count	2
54584750	Isotope_Atom_Count	0
902	Rotatable_Bond_Count	4
92386	Covalent_Unit_Count	1
9850430	Covalent_Unit_Count	1
838868	Tautomer_Count	1
7151	Rotatable_Bond_Count	2
12287	Defined_Atom_Stereo_Count	0
12591555	Undefined_Bond_Stereo_Count	0
11534927	XLogP3-AA	2.5
3086007	Non-hydrogen_Atom_Count	32
58714	Molecular_Weight	197.23
8739	Covalent_Unit_Count	1
9571109	TPSA	107
5281024	Undefined_Atom_Stereo_Count	0
19010321	Mono_Isotopic_Weight	103.063328530
62118	Undefined_Atom_Stereo_Count	0
6992788	Defined_Bond_Stereo_Count	0
408536	Molecular_Weight	512.6
52941677	Rotatable_Bond_Count	7
398675	Defined_Atom_Stereo_Count	3
54681902	Covalent_Unit_Count	1
11406590	Exact_Mass	388.13469677
11466	Defined_Bond_Stereo_Count	0
413728	Defined_Atom_Stereo_Count	0
76997051	Molecular_Weight	99.17
523547	Undefined_Atom_Stereo_Count	1
9793926	Mono_Isotopic_Weight	166.082333429
151592	Defined_Atom_Stereo_Count	0
57136377	Structure_Complexity	62.7
821629	Rotatable_Bond_Count	2
6918788	Molecular_Weight	596.4
3330	Non-hydrogen_Atom_Count	18
16051995	Molecular_Weight	731.7
821629	Hydrogen_Bond_Acceptor_Count	5
21932803	Defined_Atom_Stereo_Count	0
9690	Exact_Mass	277.07144843
71916	Hydrogen_Bond_Donor_Count	3
13326679	Hydrogen_Bond_Donor_Count	1
413536	TPSA	54.3
3009363	Isotope_Atom_Count	0
181674	Molecular_Weight	101.10
123816	Hydrogen_Bond_Acceptor_Count	11
70032924	Covalent_Unit_Count	1
50989726	Molecular_Weight	97.16
59609	Undefined_Bond_Stereo_Count	0
18459757	Hydrogen_Bond_Acceptor_Count	2
73947328	Undefined_Atom_Stereo_Count	0
162681	Defined_Bond_Stereo_Count	0
44229138	Structure_Complexity	317
5282321	Hydrogen_Bond_Donor_Count	3
11430	Non-hydrogen_Atom_Count	6
124069	Tautomer_Count	1
129009909	TPSA	231
88180	Isotope_Atom_Count	0
118990144	XLogP3-AA	0.4
23668194	Non-hydrogen_Atom_Count	30
2734180	Hydrogen_Bond_Acceptor_Count	5
6431771	Molecular_Weight	343.32
11636795	Hydrogen_Bond_Donor_Count	0
9883029	Covalent_Unit_Count	1
11137085	Undefined_Bond_Stereo_Count	0
5362051	Covalent_Unit_Count	6
11137	Non-hydrogen_Atom_Count	10
5111791	Undefined_Atom_Stereo_Count	0
5792	XLogP3	2.4
442793	Non-hydrogen_Atom_Count	21
11412355	Defined_Bond_Stereo_Count	0
62379	Tautomer_Count	1
5109	Defined_Bond_Stereo_Count	0
443753	TPSA	219
83694167	Defined_Atom_Stereo_Count	0
13118	Molecular_Weight	360.28
10948	Defined_Bond_Stereo_Count	0
146158371	Hydrogen_Bond_Acceptor_Count	10
53302141	Undefined_Bond_Stereo_Count	0
129709955	Covalent_Unit_Count	1
11815712	Defined_Bond_Stereo_Count	1
14048611	Total_Formal_Charge	0
25137956	Defined_Bond_Stereo_Count	0
441082	Hydrogen_Bond_Donor_Count	0
55992	Isotope_Atom_Count	0
36688153	Exact_Mass	288.175224706
629965	XLogP3-AA	3.1
101049151	Covalent_Unit_Count	3
24776149	Molecular_Weight	568.7
24892842	Undefined_Atom_Stereo_Count	1
13170	Defined_Atom_Stereo_Count	0
58979809	Hydrogen_Bond_Acceptor_Count	2
24829330	Hydrogen_Bond_Donor_Count	3
5484727	Rotatable_Bond_Count	10
9948896	Structure_Complexity	518
54438	Defined_Bond_Stereo_Count	0
38258	TPSA	222
5489013	Mono_Isotopic_Weight	313.16779360
64418	Rotatable_Bond_Count	3
58095461	TPSA	3.2
20972	Defined_Atom_Stereo_Count	0
64762	Molecular_Weight	471.0
856110	Exact_Mass	332.11946368
6109	Hydrogen_Bond_Acceptor_Count	10
24737670	Hydrogen_Bond_Acceptor_Count	5
12595141	Total_Formal_Charge	0
81732	Undefined_Atom_Stereo_Count	0
76442017	Hydrogen_Bond_Donor_Count	1
22981451	Undefined_Bond_Stereo_Count	0
9604654	Total_Formal_Charge	0
56659843	Undefined_Bond_Stereo_Count	0
21749233	Defined_Bond_Stereo_Count	0
65490	Undefined_Bond_Stereo_Count	0
24869	Exact_Mass	112.052429494
7032	Defined_Bond_Stereo_Count	0
6586	Mono_Isotopic_Weight	93.9821570
67417	Undefined_Atom_Stereo_Count	0
135398679	Defined_Bond_Stereo_Count	0
5356789	Isotope_Atom_Count	0
86296	XLogP3-AA	3.3
39897	Defined_Bond_Stereo_Count	0
53835394	Defined_Bond_Stereo_Count	0
3036056	Molecular_Weight	446.4
12711598	Defined_Bond_Stereo_Count	0
489129	Exact_Mass	348.17616766
23000031	Covalent_Unit_Count	1
103656	Defined_Atom_Stereo_Count	0
7098680	Hydrogen_Bond_Acceptor_Count	8
365	Undefined_Bond_Stereo_Count	2
2773	Non-hydrogen_Atom_Count	10
8661	Exact_Mass	566.11412077
5508	Isotope_Atom_Count	0
24509	Hydrogen_Bond_Donor_Count	0
21696748	Undefined_Atom_Stereo_Count	2
518944	Non-hydrogen_Atom_Count	4
13019077	TPSA	60.7
64184	Non-hydrogen_Atom_Count	12
6741	Total_Formal_Charge	0
9843750	XLogP3-AA	1.3
6922965	Hydrogen_Bond_Acceptor_Count	1
15370743	XLogP3-AA	0.6
8087	Tautomer_Count	1
709955	Total_Formal_Charge	0
11049	Molecular_Weight	647.9
16217535	Hydrogen_Bond_Donor_Count	8
87359997	TPSA	62.4
57000025	TPSA	18.5
135431223	Covalent_Unit_Count	1
439530	Total_Formal_Charge	0
688561	Molecular_Weight	290.36
21701560	Non-hydrogen_Atom_Count	23
703128	Isotope_Atom_Count	0
2734243	Undefined_Atom_Stereo_Count	0
129317940	Mono_Isotopic_Weight	412.16814520
91263754	XLogP3-AA	2.6
70499	Hydrogen_Bond_Acceptor_Count	2
11932	Defined_Bond_Stereo_Count	0
58247652	Defined_Atom_Stereo_Count	0
16072219	TPSA	173
20137	Hydrogen_Bond_Acceptor_Count	2
23674889	Undefined_Bond_Stereo_Count	0
244965	Hydrogen_Bond_Acceptor_Count	2
35405	Defined_Atom_Stereo_Count	0
93083	Non-hydrogen_Atom_Count	6
9984374	Undefined_Atom_Stereo_Count	1
135512673	Hydrogen_Bond_Acceptor_Count	15
148184759	TPSA	21.9
9249	Rotatable_Bond_Count	0
10090485	Exact_Mass	369.15896025
39965	Defined_Atom_Stereo_Count	0
23705	Defined_Atom_Stereo_Count	0
284314	Defined_Atom_Stereo_Count	0
123271707	Undefined_Atom_Stereo_Count	5
3459	Defined_Bond_Stereo_Count	0
54092188	Isotope_Atom_Count	0
5458993	Exact_Mass	332.12598835
830140	Structure_Complexity	254
44225660	Structure_Complexity	776
2461	Isotope_Atom_Count	0
18442594	Hydrogen_Bond_Acceptor_Count	3
80281	Undefined_Atom_Stereo_Count	0
70	Molecular_Weight	130.14
71151	Mono_Isotopic_Weight	402.27700969
44468216	Total_Formal_Charge	0
55287924	Undefined_Atom_Stereo_Count	1
6432591	Molecular_Weight	38.05
73961	Tautomer_Count	1
5200320	Covalent_Unit_Count	1
719704	Molecular_Weight	192.21
10686	XLogP3	3.6
18698713	Total_Formal_Charge	0
12704953	Covalent_Unit_Count	1
82190	Hydrogen_Bond_Acceptor_Count	3
71459166	Undefined_Atom_Stereo_Count	1
147004	Defined_Atom_Stereo_Count	1
9853654	Mono_Isotopic_Weight	767.33124734
77903	Hydrogen_Bond_Donor_Count	0
54413601	Undefined_Bond_Stereo_Count	0
103984	Tautomer_Count	1
5281127	Hydrogen_Bond_Donor_Count	1
53316393	Mono_Isotopic_Weight	344.11723519
3486	Structure_Complexity	569
71311337	Tautomer_Count	1
13129	Rotatable_Bond_Count	0
71148	Tautomer_Count	2
165588672	Isotope_Atom_Count	0
10103148	Hydrogen_Bond_Donor_Count	1
67641738	Molecular_Weight	180.16
7023020	Mono_Isotopic_Weight	115.063328530
8241	TPSA	62.3
2735107	Exact_Mass	232.07452447
15424	Hydrogen_Bond_Donor_Count	1
133613144	Undefined_Bond_Stereo_Count	0
59743	TPSA	84.9
3526102	Mono_Isotopic_Weight	115.063328530
74864	Undefined_Atom_Stereo_Count	0
1785	Molecular_Weight	392.5
439569	Isotope_Atom_Count	0
20289356	Hydrogen_Bond_Acceptor_Count	3
23385073	Isotope_Atom_Count	0
3495	Exact_Mass	822.40378589
71072081	Mono_Isotopic_Weight	504.1946483
85470810	Non-hydrogen_Atom_Count	39
57394598	XLogP3-AA	4.4
92831	Undefined_Atom_Stereo_Count	0
44201342	Defined_Bond_Stereo_Count	1
36020	XLogP3-AA	2.2
15541506	Exact_Mass	353.1407234
15480	Total_Formal_Charge	0
65591	Isotope_Atom_Count	0
11174789	Non-hydrogen_Atom_Count	24
12340	Tautomer_Count	1
32068	Hydrogen_Bond_Donor_Count	2
7337	Defined_Bond_Stereo_Count	0
10058	Non-hydrogen_Atom_Count	41
54466280	Structure_Complexity	141
47897	Isotope_Atom_Count	0
11293	TPSA	75.9
4659387	Exact_Mass	444.15821500
9538	TPSA	17.1
63079	Total_Formal_Charge	0
17567	Structure_Complexity	30.6
11123355	Defined_Bond_Stereo_Count	0
4323	Non-hydrogen_Atom_Count	27
11126224	Exact_Mass	116.047344113
16106473	Isotope_Atom_Count	0
23684827	Mono_Isotopic_Weight	138.97039376
71600	Rotatable_Bond_Count	1
10021783	Defined_Bond_Stereo_Count	0
15801221	Total_Formal_Charge	0
10953595	Defined_Atom_Stereo_Count	3
29647	Exact_Mass	515.99670823
7647	Hydrogen_Bond_Donor_Count	0
4656	Mono_Isotopic_Weight	354.91400
123015	Exact_Mass	238.110613074
834519	Rotatable_Bond_Count	6
11153672	TPSA	107
6850729	TPSA	1
726050	Exact_Mass	271.10308534
6113	Hydrogen_Bond_Donor_Count	0
20147457	Molecular_Weight	84.12
4463	Undefined_Atom_Stereo_Count	0
25008	Hydrogen_Bond_Donor_Count	0
11535810	Hydrogen_Bond_Acceptor_Count	1
1487118	Undefined_Atom_Stereo_Count	0
84003	Tautomer_Count	4
8233	Molecular_Weight	733.9
12285886	Non-hydrogen_Atom_Count	12
560256	Defined_Bond_Stereo_Count	0
265810	Mono_Isotopic_Weight	144.115029749
122639	Mono_Isotopic_Weight	991.32922577
10823890	TPSA	57.6
40781	Mono_Isotopic_Weight	309.993027
24807494	Non-hydrogen_Atom_Count	8
159661	Tautomer_Count	1
17676	Structure_Complexity	540
4437320	XLogP3-AA	0.3
164695	Defined_Bond_Stereo_Count	0
84693	Hydrogen_Bond_Donor_Count	1
6852393	Tautomer_Count	3
5288453	Hydrogen_Bond_Acceptor_Count	12
176873	Non-hydrogen_Atom_Count	42
26964	Undefined_Atom_Stereo_Count	1
56911	Rotatable_Bond_Count	1
28810	Hydrogen_Bond_Donor_Count	1
4653	Isotope_Atom_Count	0
26445	Non-hydrogen_Atom_Count	8
5353453	Molecular_Weight	240.30
11241881	Undefined_Bond_Stereo_Count	0
91021644	Isotope_Atom_Count	0
7877	Rotatable_Bond_Count	2
51918	Mono_Isotopic_Weight	181.05613515
21397222	Undefined_Atom_Stereo_Count	1
13734170	Undefined_Bond_Stereo_Count	0
135625277	Undefined_Bond_Stereo_Count	0
16637767	Total_Formal_Charge	0
444503	Undefined_Bond_Stereo_Count	0
84715998	Molecular_Weight	112.13
23663950	Hydrogen_Bond_Acceptor_Count	7
64930	Hydrogen_Bond_Donor_Count	2
49865972	Undefined_Atom_Stereo_Count	0
596244	Defined_Atom_Stereo_Count	0
46780884	Total_Formal_Charge	0
24721103	Isotope_Atom_Count	0
11460	Undefined_Atom_Stereo_Count	0
12865495	Hydrogen_Bond_Acceptor_Count	2
12385939	Rotatable_Bond_Count	2
6761	XLogP3	4.4
779179	Undefined_Atom_Stereo_Count	0
23279315	Exact_Mass	115.038176411
52999	Undefined_Bond_Stereo_Count	0
54693768	Structure_Complexity	618
146396	Hydrogen_Bond_Acceptor_Count	5
58512812	Rotatable_Bond_Count	0
94784	Molecular_Weight	228.65
11263485	Defined_Atom_Stereo_Count	0
3019305	Mono_Isotopic_Weight	241.10152556
165345	Tautomer_Count	1
436515	Covalent_Unit_Count	1
67106798	Undefined_Atom_Stereo_Count	0
625	Undefined_Atom_Stereo_Count	3
3862	Covalent_Unit_Count	1
94179	Hydrogen_Bond_Acceptor_Count	3
6332	Total_Formal_Charge	0
9917013	Structure_Complexity	1150
76988	Hydrogen_Bond_Acceptor_Count	1
21152	Non-hydrogen_Atom_Count	16
6419888	Defined_Atom_Stereo_Count	2
57060020	Defined_Bond_Stereo_Count	0
13007516	Defined_Atom_Stereo_Count	0
130918	Isotope_Atom_Count	0
78225435	Rotatable_Bond_Count	5
78477	Undefined_Atom_Stereo_Count	0
134825353	Undefined_Bond_Stereo_Count	0
75093474	Hydrogen_Bond_Donor_Count	3
95433	Defined_Bond_Stereo_Count	0
13028028	Hydrogen_Bond_Acceptor_Count	2
83904774	Total_Formal_Charge	0
10005402	Hydrogen_Bond_Acceptor_Count	9
91236903	Covalent_Unit_Count	1
35766	Total_Formal_Charge	0
86233	Exact_Mass	317.1294900
762788	Undefined_Bond_Stereo_Count	0
16049376	Covalent_Unit_Count	1
99049	Undefined_Bond_Stereo_Count	0
10798	Non-hydrogen_Atom_Count	6
57395978	Covalent_Unit_Count	1
87905	Exact_Mass	422.199428076
138924	Defined_Atom_Stereo_Count	0
141080616	Molecular_Weight	94.11
8042	Defined_Atom_Stereo_Count	0
6102852	Mono_Isotopic_Weight	605.13321
59961798	Structure_Complexity	107
787366	XLogP3	2.5
11424880	Hydrogen_Bond_Donor_Count	1
90393	Mono_Isotopic_Weight	283.157228913
16721	Structure_Complexity	398
65741	Hydrogen_Bond_Donor_Count	0
14511497	Molecular_Weight	117.15
81146	Hydrogen_Bond_Acceptor_Count	3
20136721	Hydrogen_Bond_Acceptor_Count	2
8063338	Isotope_Atom_Count	0
123827359	TPSA	54.4
580567	Molecular_Weight	318.5
556209	Hydrogen_Bond_Donor_Count	1
71453204	Undefined_Bond_Stereo_Count	0
636822	Hydrogen_Bond_Donor_Count	0
16051942	Covalent_Unit_Count	1
6961	Hydrogen_Bond_Donor_Count	4
129846269	XLogP3-AA	1.7
60779	Tautomer_Count	1
156619111	Total_Formal_Charge	0
51063134	TPSA	102
398633	XLogP3-AA	4.2
542556	Undefined_Atom_Stereo_Count	0
23777801	Tautomer_Count	1
60189	Non-hydrogen_Atom_Count	21
2737358	Covalent_Unit_Count	1
10909508	Undefined_Bond_Stereo_Count	0
10510817	Isotope_Atom_Count	0
142755	Exact_Mass	114.068079557
3653077	Non-hydrogen_Atom_Count	20
19830380	TPSA	60.7
93115	XLogP3-AA	12.8
28674	Isotope_Atom_Count	0
92751	Structure_Complexity	490
21271257	Covalent_Unit_Count	1
40893	Hydrogen_Bond_Acceptor_Count	1
14842863	Mono_Isotopic_Weight	351.15426879
54111025	Rotatable_Bond_Count	0
11707110	Exact_Mass	615.07788
10698	Hydrogen_Bond_Acceptor_Count	1
9549303	Undefined_Bond_Stereo_Count	0
12599713	Undefined_Bond_Stereo_Count	0
9912743	Rotatable_Bond_Count	8
6921800	Total_Formal_Charge	1
143342009	Hydrogen_Bond_Acceptor_Count	1
22320975	TPSA	72.3
49831411	Molecular_Weight	660.7
1363	Defined_Bond_Stereo_Count	0
66970	Defined_Bond_Stereo_Count	0
46244259	Hydrogen_Bond_Acceptor_Count	7
3857	Covalent_Unit_Count	1
94785	Defined_Atom_Stereo_Count	0
556743	TPSA	0
44214615	Defined_Atom_Stereo_Count	0
161104	Non-hydrogen_Atom_Count	24
56599306	Tautomer_Count	8
4418	TPSA	45.2
6895	Non-hydrogen_Atom_Count	9
283654	Mono_Isotopic_Weight	264.13615911
58305	Defined_Atom_Stereo_Count	0
35803	Defined_Atom_Stereo_Count	0
6918025	Isotope_Atom_Count	0
6419765	Exact_Mass	261.05719778
84647663	Molecular_Weight	112.13
68791	Tautomer_Count	5
3028194	Undefined_Bond_Stereo_Count	0
11018839	TPSA	35.5
81423	Defined_Bond_Stereo_Count	0
14644797	Exact_Mass	115.063328530
66553195	Non-hydrogen_Atom_Count	27
3005572	Hydrogen_Bond_Acceptor_Count	9
15081	TPSA	41.9
16132265	Defined_Atom_Stereo_Count	36
135444779	Molecular_Weight	441.4
7186	Molecular_Weight	181.19
6914285	Hydrogen_Bond_Donor_Count	3
540987	Rotatable_Bond_Count	12
12304	Molecular_Weight	102.17
129893628	Total_Formal_Charge	1
242493	Mono_Isotopic_Weight	306.255880323
1044	Undefined_Atom_Stereo_Count	0
68702	Hydrogen_Bond_Acceptor_Count	4
65546	Rotatable_Bond_Count	3
178787	Defined_Bond_Stereo_Count	0
3081420	Structure_Complexity	11.6
6918242	Hydrogen_Bond_Acceptor_Count	9
14671256	Rotatable_Bond_Count	4
627951	Non-hydrogen_Atom_Count	23
13757192	Undefined_Atom_Stereo_Count	1
123642	Mono_Isotopic_Weight	408.24129289
14379227	Rotatable_Bond_Count	1
54685047	Isotope_Atom_Count	0
593411	Isotope_Atom_Count	0
170472	TPSA	129
6437358	Structure_Complexity	1210
14205677	Undefined_Atom_Stereo_Count	0
9841596	Undefined_Bond_Stereo_Count	0
17860889	Defined_Bond_Stereo_Count	0
57114132	Hydrogen_Bond_Acceptor_Count	1
5352438	Rotatable_Bond_Count	7
135398701	Undefined_Bond_Stereo_Count	0
10920441	Total_Formal_Charge	0
123671885	Exact_Mass	102.068079557
21047	Defined_Bond_Stereo_Count	0
697959	Structure_Complexity	249
456214	Covalent_Unit_Count	1
53895	Mono_Isotopic_Weight	290.0952687
46840007	TPSA	35.2
22181125	Mono_Isotopic_Weight	87.068413911
72685	Rotatable_Bond_Count	3
153791162	Hydrogen_Bond_Acceptor_Count	3
16957	TPSA	0
67126	Structure_Complexity	155
9869142	Covalent_Unit_Count	1
56149	Covalent_Unit_Count	1
20192394	Structure_Complexity	139
5212856	Exact_Mass	304.0324785
6604796	TPSA	70.9
72823952	Undefined_Bond_Stereo_Count	0
21987892	Rotatable_Bond_Count	7
11656753	Defined_Atom_Stereo_Count	0
5324108	Defined_Bond_Stereo_Count	0
57156265	Structure_Complexity	147
98181817	Isotope_Atom_Count	0
118797420	Rotatable_Bond_Count	1
73110	TPSA	146
3513	Total_Formal_Charge	0
20055089	Rotatable_Bond_Count	5
11687	Defined_Bond_Stereo_Count	0
50914184	Defined_Atom_Stereo_Count	0
77778	Defined_Bond_Stereo_Count	0
87671446	Exact_Mass	112.027277375
41185	Tautomer_Count	2
8882	Structure_Complexity	38
119097554	Molecular_Weight	98.14
162918	Covalent_Unit_Count	1
56224	Molecular_Weight	167.29
23618458	Undefined_Atom_Stereo_Count	0
414420	TPSA	26.3
58093	Isotope_Atom_Count	0
170501	TPSA	41.5
2846928	Exact_Mass	386.22966
312	Undefined_Atom_Stereo_Count	0
119057560	Molecular_Weight	753.0
16932	Undefined_Atom_Stereo_Count	0
2849	Rotatable_Bond_Count	11
165777539	Hydrogen_Bond_Donor_Count	0
66144	Rotatable_Bond_Count	4
998021	Defined_Atom_Stereo_Count	0
2724048	Covalent_Unit_Count	2
16667711	Covalent_Unit_Count	1
12933751	Hydrogen_Bond_Donor_Count	0
91434	Hydrogen_Bond_Donor_Count	4
11349170	Exact_Mass	368.19607403
89669330	Structure_Complexity	382
91754	Hydrogen_Bond_Donor_Count	0
112711232	Undefined_Atom_Stereo_Count	0
9821545	Undefined_Bond_Stereo_Count	0
138402871	Rotatable_Bond_Count	11
5352435	Undefined_Atom_Stereo_Count	0
453326	Defined_Atom_Stereo_Count	0
223866	Rotatable_Bond_Count	7
3154	Covalent_Unit_Count	1
7058029	Isotope_Atom_Count	0
940892	Covalent_Unit_Count	1
121904	Hydrogen_Bond_Acceptor_Count	6
31117	Defined_Bond_Stereo_Count	0
57396605	TPSA	63.2
54592009	Undefined_Bond_Stereo_Count	0
129980649	Hydrogen_Bond_Acceptor_Count	2
5365773	Isotope_Atom_Count	0
11379	Molecular_Weight	144.17
16732168	Total_Formal_Charge	0
71544786	Exact_Mass	688.22492620
9969306	Defined_Atom_Stereo_Count	1
82322	Structure_Complexity	80.5
72187527	Hydrogen_Bond_Acceptor_Count	5
57656887	Rotatable_Bond_Count	4
24663	Undefined_Bond_Stereo_Count	0
79777	Defined_Bond_Stereo_Count	0
16115	XLogP3	3.5
29109	Non-hydrogen_Atom_Count	1
371256	Rotatable_Bond_Count	3
129831062	Undefined_Atom_Stereo_Count	0
15732693	Defined_Atom_Stereo_Count	0
5368451	Molecular_Weight	134.22
13587	Isotope_Atom_Count	0
27182	Defined_Atom_Stereo_Count	0
10624	Molecular_Weight	284.25
56955071	Isotope_Atom_Count	0
12593029	Mono_Isotopic_Weight	114.104465066
71916	Molecular_Weight	251.28
4767	Covalent_Unit_Count	1
2044	Defined_Bond_Stereo_Count	0
13033202	Undefined_Atom_Stereo_Count	0
2737168	Tautomer_Count	1
116842253	TPSA	23.8
5065	Hydrogen_Bond_Acceptor_Count	11
27119	Non-hydrogen_Atom_Count	14
20392430	Undefined_Atom_Stereo_Count	1
85515	Hydrogen_Bond_Acceptor_Count	3
567098	Hydrogen_Bond_Acceptor_Count	1
115089	Tautomer_Count	45
53968086	Defined_Atom_Stereo_Count	0
19992510	Isotope_Atom_Count	0
58817179	XLogP3-AA	2.9
61474	Tautomer_Count	1
90708518	TPSA	72.8
632	Tautomer_Count	1
6443347	Molecular_Weight	224.25
131954763	Total_Formal_Charge	0
24312	TPSA	12.9
72373	Exact_Mass	234.02067859
443310	Defined_Atom_Stereo_Count	0
10090285	Covalent_Unit_Count	1
6433266	Exact_Mass	372.28757437
89168339	Structure_Complexity	113
57448758	Hydrogen_Bond_Donor_Count	9
34192	Defined_Atom_Stereo_Count	0
193972	XLogP3	4.1
14711688	Non-hydrogen_Atom_Count	8
54321	XLogP3-AA	6.6
97865	Total_Formal_Charge	0
6746	Total_Formal_Charge	0
441344	Hydrogen_Bond_Acceptor_Count	3
66572376	Exact_Mass	122.00376522
549253	XLogP3-AA	2.2
550814	Hydrogen_Bond_Donor_Count	2
85716977	Defined_Atom_Stereo_Count	0
233	Structure_Complexity	46.5
50169	Mono_Isotopic_Weight	349.06774
3029	Structure_Complexity	751
11178236	Isotope_Atom_Count	0
6185	Hydrogen_Bond_Donor_Count	3
53323075	XLogP3-AA	2.6
6476333	Mono_Isotopic_Weight	624.20542044
79418	Defined_Atom_Stereo_Count	0
72200848	Hydrogen_Bond_Acceptor_Count	7
21669	Rotatable_Bond_Count	3
76008	Defined_Bond_Stereo_Count	0
788781	Hydrogen_Bond_Donor_Count	0
84647603	Defined_Bond_Stereo_Count	0
557816	Non-hydrogen_Atom_Count	8
11116043	Rotatable_Bond_Count	2
9576412	Isotope_Atom_Count	0
3035405	Mono_Isotopic_Weight	1212.68532087
5489029	Structure_Complexity	854
163698895	XLogP3-AA	0
694466	TPSA	111
11234794	Hydrogen_Bond_Donor_Count	4
87251056	Covalent_Unit_Count	1
147895	Exact_Mass	849.35717005
73124	Molecular_Weight	209.21
11769	Structure_Complexity	273
136091	Exact_Mass	110.109550447
14092185	Undefined_Bond_Stereo_Count	0
41870	Non-hydrogen_Atom_Count	20
21027022	Defined_Bond_Stereo_Count	0
624748	Covalent_Unit_Count	1
118733511	Rotatable_Bond_Count	4
59189978	TPSA	12.5
192275	Defined_Bond_Stereo_Count	0
31369	Hydrogen_Bond_Donor_Count	0
152951	Hydrogen_Bond_Donor_Count	5
22274879	Structure_Complexity	104
317459	Covalent_Unit_Count	1
68890	Rotatable_Bond_Count	5
456557	Structure_Complexity	871
16051948	TPSA	174
1131	Structure_Complexity	413
6918309	Total_Formal_Charge	0
15433	Hydrogen_Bond_Acceptor_Count	1
6708685	Hydrogen_Bond_Donor_Count	3
3017326	Tautomer_Count	6
37610	Molecular_Weight	217.26
156417	Mono_Isotopic_Weight	765.42004509
57119345	Rotatable_Bond_Count	3
12687	Covalent_Unit_Count	1
98148766	Total_Formal_Charge	0
13180180	Covalent_Unit_Count	1
6539003	Hydrogen_Bond_Donor_Count	3
8263	Structure_Complexity	151
129627923	Hydrogen_Bond_Donor_Count	5
128229	Tautomer_Count	5
22055193	Hydrogen_Bond_Acceptor_Count	2
92745	Isotope_Atom_Count	0
5951	Molecular_Weight	105.09
57399438	Structure_Complexity	552
11463807	Molecular_Weight	403.3
62034	Undefined_Bond_Stereo_Count	0
20504	Structure_Complexity	198
44144477	Non-hydrogen_Atom_Count	115
10145345	Total_Formal_Charge	0
181287	Tautomer_Count	1
108051	Defined_Bond_Stereo_Count	0
16156	Structure_Complexity	336
10130337	Hydrogen_Bond_Acceptor_Count	3
34340	Defined_Bond_Stereo_Count	0
58028426	Hydrogen_Bond_Acceptor_Count	3
6918257	Defined_Atom_Stereo_Count	0
20041	Defined_Atom_Stereo_Count	0
568	Hydrogen_Bond_Donor_Count	0
126011	Defined_Atom_Stereo_Count	0
54046302	Covalent_Unit_Count	1
18531013	Total_Formal_Charge	0
75496	Defined_Bond_Stereo_Count	0
123131999	Rotatable_Bond_Count	2
86912	Undefined_Atom_Stereo_Count	0
74764114	Undefined_Atom_Stereo_Count	0
115069	Non-hydrogen_Atom_Count	24
15684	TPSA	20.2
11979741	Molecular_Weight	1448.7
10261065	Mono_Isotopic_Weight	110.109550447
5702599	Total_Formal_Charge	0
135440064	Exact_Mass	283.09166853
118208260	Undefined_Atom_Stereo_Count	0
57874	Exact_Mass	312.183778013
73357703	Hydrogen_Bond_Donor_Count	1
172313	Structure_Complexity	428
12304094	Isotope_Atom_Count	0
87825887	Molecular_Weight	107.11
82029	Tautomer_Count	1
24777	Tautomer_Count	1
44310436	Molecular_Weight	393.3
12959091	Mono_Isotopic_Weight	99.068413911
656842	Structure_Complexity	629
10093379	Total_Formal_Charge	0
4489	Structure_Complexity	1230
8275	Defined_Bond_Stereo_Count	0
12244237	Non-hydrogen_Atom_Count	4
12343986	Structure_Complexity	57.5
57340472	Defined_Atom_Stereo_Count	0
5364711	TPSA	26.3
27123	Rotatable_Bond_Count	7
13351946	Total_Formal_Charge	0
134587348	Exact_Mass	597.23450825
11332430	Mono_Isotopic_Weight	109.063997236
40500	Molecular_Weight	395.3
6918670	Structure_Complexity	926
65552	XLogP3-AA	5.2
28639	Hydrogen_Bond_Donor_Count	0
70789202	Defined_Atom_Stereo_Count	0
81391	Hydrogen_Bond_Donor_Count	0
139056	Total_Formal_Charge	0
9794842	Structure_Complexity	318
8437	Rotatable_Bond_Count	10
44119603	Covalent_Unit_Count	1
135423438	Undefined_Bond_Stereo_Count	0
10322586	Molecular_Weight	472.6
94215	Structure_Complexity	46.9
2199	Exact_Mass	265.13140809
15853020	Hydrogen_Bond_Acceptor_Count	2
6419984	TPSA	182
73919	Tautomer_Count	10
2729	TPSA	28.5
6918580	Covalent_Unit_Count	3
53867497	Structure_Complexity	99.7
45790485	Structure_Complexity	80.2
216466	Non-hydrogen_Atom_Count	30
120096	Tautomer_Count	1
93544	Covalent_Unit_Count	1
29228	Undefined_Atom_Stereo_Count	0
166585863	Defined_Atom_Stereo_Count	0
89351	Non-hydrogen_Atom_Count	16
99580	Rotatable_Bond_Count	10
25217563	Non-hydrogen_Atom_Count	27
136726	Defined_Bond_Stereo_Count	0
6275	Defined_Bond_Stereo_Count	0
4755801	Undefined_Atom_Stereo_Count	0
183809	Rotatable_Bond_Count	4
132327702	Defined_Atom_Stereo_Count	0
10659	XLogP3-AA	2.7
46227489	Molecular_Weight	460.5
7392	TPSA	17.1
70688569	Total_Formal_Charge	0
81577	TPSA	45.8
37713	Rotatable_Bond_Count	0
73253	Defined_Bond_Stereo_Count	0
61098	Molecular_Weight	210.31
40466957	XLogP3-AA	1.9
44526	Exact_Mass	195.162314293
6452830	Defined_Atom_Stereo_Count	0
79741	Non-hydrogen_Atom_Count	10
6558	Total_Formal_Charge	0
16132443	Rotatable_Bond_Count	41
15043884	Rotatable_Bond_Count	2
44557554	Exact_Mass	528.27121086
11715	Defined_Bond_Stereo_Count	0
13275541	Isotope_Atom_Count	0
945090	Structure_Complexity	369
12731218	Defined_Bond_Stereo_Count	0
46304	Defined_Bond_Stereo_Count	0
751496	Isotope_Atom_Count	0
67277	Structure_Complexity	450
969105	Structure_Complexity	423
7996	Molecular_Weight	104.15
3927	Molecular_Weight	380.5
22083393	Structure_Complexity	129
16987	Mono_Isotopic_Weight	251.9937843
129689385	Molecular_Weight	155.89
12069	Molecular_Weight	211.13
6537489	Non-hydrogen_Atom_Count	11
11712649	Non-hydrogen_Atom_Count	34
398663	TPSA	49.6
21823	Tautomer_Count	1
5336	Defined_Bond_Stereo_Count	0
10500527	Structure_Complexity	602
78576	Mono_Isotopic_Weight	189.126597491
7104	Molecular_Weight	188.18
6919051	Covalent_Unit_Count	1
411312	Rotatable_Bond_Count	6
685814	XLogP3-AA	1.6
5976	Undefined_Bond_Stereo_Count	0
60155100	Isotope_Atom_Count	0
4345	XLogP3-AA	5.6
5280863	Defined_Atom_Stereo_Count	0
46567	Non-hydrogen_Atom_Count	19
71773445	Isotope_Atom_Count	0
4456484	Hydrogen_Bond_Acceptor_Count	12
64715	Rotatable_Bond_Count	7
129826870	Mono_Isotopic_Weight	166.135765193
12302653	Mono_Isotopic_Weight	342.11621151
129486	Defined_Atom_Stereo_Count	0
122214398	Defined_Atom_Stereo_Count	5
3000506	Hydrogen_Bond_Acceptor_Count	9
44402	Defined_Bond_Stereo_Count	0
84623	Isotope_Atom_Count	0
11147897	Hydrogen_Bond_Acceptor_Count	4
242364	Hydrogen_Bond_Donor_Count	2
8720	Mono_Isotopic_Weight	176.92948127
52999	Mono_Isotopic_Weight	381.07430439
17132	Undefined_Atom_Stereo_Count	0
44558883	Exact_Mass	1078.42704051
6438712	Undefined_Atom_Stereo_Count	0
25201827	Hydrogen_Bond_Acceptor_Count	9
107400	Total_Formal_Charge	0
3033972	Non-hydrogen_Atom_Count	9
15313	Molecular_Weight	185.06
90973	Molecular_Weight	328.9
13256	Hydrogen_Bond_Donor_Count	0
83674	Mono_Isotopic_Weight	169.90096141
17109	Total_Formal_Charge	0
12285871	Isotope_Atom_Count	2
9247	Isotope_Atom_Count	0
24774737	Defined_Bond_Stereo_Count	0
14698	Undefined_Bond_Stereo_Count	0
49862872	Total_Formal_Charge	0
24762165	Covalent_Unit_Count	1
68741938	Rotatable_Bond_Count	5
549244	Molecular_Weight	110.11
70701092	Hydrogen_Bond_Acceptor_Count	3
118984445	Tautomer_Count	1001
95258	Defined_Bond_Stereo_Count	0
44119431	Covalent_Unit_Count	1
6477715	Hydrogen_Bond_Acceptor_Count	6
23368901	Mono_Isotopic_Weight	112.027277375
11745116	TPSA	109
23116322	Undefined_Atom_Stereo_Count	0
4640	Defined_Atom_Stereo_Count	0
94011387	Mono_Isotopic_Weight	342.11621151
638793	Mono_Isotopic_Weight	1181.57302551
44193111	Hydrogen_Bond_Donor_Count	1
123519634	Structure_Complexity	128
82220	Undefined_Atom_Stereo_Count	0
91364344	Defined_Atom_Stereo_Count	0
66257	Covalent_Unit_Count	1
5798	Exact_Mass	118.053098200
54129211	Mono_Isotopic_Weight	94.041864811
92546	Mono_Isotopic_Weight	224.07970687
170249	Molecular_Weight	152.62
99824	Non-hydrogen_Atom_Count	9
77996	Covalent_Unit_Count	1
12554979	Exact_Mass	96.093900383
129661122	Hydrogen_Bond_Donor_Count	3
15951488	Non-hydrogen_Atom_Count	26
129694674	Exact_Mass	166.943465
129319344	Exact_Mass	1098.63148185
23724526	TPSA	46.5
5281167	Undefined_Atom_Stereo_Count	0
4306558	Rotatable_Bond_Count	9
71457955	Undefined_Atom_Stereo_Count	0
127748	Structure_Complexity	604
20253	Undefined_Atom_Stereo_Count	1
6951563	Non-hydrogen_Atom_Count	11
6366591	XLogP3-AA	1.7
3356745	Non-hydrogen_Atom_Count	12
156838775	TPSA	23.8
219399	Undefined_Atom_Stereo_Count	0
42602260	Defined_Bond_Stereo_Count	0
18732336	Mono_Isotopic_Weight	102.115698455
11533	Molecular_Weight	120.98
6785	Hydrogen_Bond_Donor_Count	0
67944290	Exact_Mass	180.06338810
54161810	Defined_Atom_Stereo_Count	0
12223638	Total_Formal_Charge	0
89197	Total_Formal_Charge	0
45485695	Mono_Isotopic_Weight	583.2901736
41723	Covalent_Unit_Count	2
91370278	Hydrogen_Bond_Donor_Count	0
838844	Mono_Isotopic_Weight	237.97418
87833	Total_Formal_Charge	0
45358084	Undefined_Atom_Stereo_Count	0
20787	Tautomer_Count	2
80373	Total_Formal_Charge	0
55939	Hydrogen_Bond_Acceptor_Count	5
62705690	Undefined_Atom_Stereo_Count	0
16741245	Defined_Bond_Stereo_Count	0
410906	Defined_Bond_Stereo_Count	0
163429552	Defined_Bond_Stereo_Count	0
255	Structure_Complexity	434
92381	Non-hydrogen_Atom_Count	12
15284	Non-hydrogen_Atom_Count	37
134688993	Hydrogen_Bond_Acceptor_Count	4
6686	Hydrogen_Bond_Acceptor_Count	6
5284468	Mono_Isotopic_Weight	247.963896
134694678	Defined_Atom_Stereo_Count	2
449369	Isotope_Atom_Count	0
6857664	Mono_Isotopic_Weight	42.009222013
57392611	Undefined_Bond_Stereo_Count	0
66426486	Non-hydrogen_Atom_Count	8
18506394	Undefined_Atom_Stereo_Count	3
5270576	Structure_Complexity	413
153812233	Hydrogen_Bond_Donor_Count	1
18815	TPSA	0
71919	Mono_Isotopic_Weight	356.20123960
6419807	Isotope_Atom_Count	0
121755	Non-hydrogen_Atom_Count	7
781	Total_Formal_Charge	0
4604180	Molecular_Weight	630.5
15702063	Hydrogen_Bond_Acceptor_Count	2
1219914	Molecular_Weight	363.4
135925739	Total_Formal_Charge	0
31721	TPSA	35.2
2176	XLogP3	4
24397	Undefined_Bond_Stereo_Count	0
69860	Isotope_Atom_Count	0
123147402	Undefined_Atom_Stereo_Count	2
18755011	Structure_Complexity	149
18764599	Exact_Mass	116.083729621
11228026	Hydrogen_Bond_Acceptor_Count	6
7680	Undefined_Bond_Stereo_Count	0
165906267	Hydrogen_Bond_Donor_Count	2
44916	Defined_Atom_Stereo_Count	0
147059143	Undefined_Atom_Stereo_Count	1
90561	Hydrogen_Bond_Donor_Count	2
23274317	Structure_Complexity	308
94412	Defined_Atom_Stereo_Count	0
9888618	Undefined_Atom_Stereo_Count	0
6327514	Rotatable_Bond_Count	14
6917975	Total_Formal_Charge	0
89364481	Undefined_Atom_Stereo_Count	3
54006055	Non-hydrogen_Atom_Count	18
656612	Exact_Mass	370.0150477
53689772	Defined_Atom_Stereo_Count	0
11572	Mono_Isotopic_Weight	96.093900383
86439	Undefined_Atom_Stereo_Count	0
5795	Defined_Atom_Stereo_Count	0
75472	Non-hydrogen_Atom_Count	12
71377454	Rotatable_Bond_Count	1
4421	Mono_Isotopic_Weight	232.08479225
643	Molecular_Weight	214.26
71509158	TPSA	166
6604472	Undefined_Bond_Stereo_Count	0
57394711	Defined_Bond_Stereo_Count	0
25079036	Undefined_Bond_Stereo_Count	0
12507028	Mono_Isotopic_Weight	112.088815002
95571	Covalent_Unit_Count	1
64423	Mono_Isotopic_Weight	320.1655411
2728	Defined_Atom_Stereo_Count	0
74823	Structure_Complexity	241
160666	Undefined_Bond_Stereo_Count	0
143368400	TPSA	0
8099	Rotatable_Bond_Count	9
92146	Defined_Bond_Stereo_Count	0
71798	Total_Formal_Charge	0
17930361	Exact_Mass	112.125200510
62333	Undefined_Atom_Stereo_Count	2
9520	Non-hydrogen_Atom_Count	10
138112	Undefined_Atom_Stereo_Count	0
449331	Undefined_Bond_Stereo_Count	0
53863747	Total_Formal_Charge	0
53316138	Isotope_Atom_Count	0
11377211	Structure_Complexity	175
5284	Defined_Atom_Stereo_Count	0
3094	Mono_Isotopic_Weight	241.276950121
70003	Exact_Mass	160.088815002
9908783	Non-hydrogen_Atom_Count	30
5340	Isotope_Atom_Count	0
3153	Tautomer_Count	53
101924284	Isotope_Atom_Count	0
12243027	Exact_Mass	100.063662883
51369	Exact_Mass	325.16779360
21157	Tautomer_Count	1
155794	Structure_Complexity	387
162817	Molecular_Weight	280.4
264990	Undefined_Bond_Stereo_Count	0
34864	XLogP3	3
91495606	Non-hydrogen_Atom_Count	8
20493118	Isotope_Atom_Count	0
14753032	Hydrogen_Bond_Acceptor_Count	6
520196	Mono_Isotopic_Weight	160.12857181
175967	Isotope_Atom_Count	0
153994	Undefined_Bond_Stereo_Count	0
2167092	Covalent_Unit_Count	1
45086609	TPSA	73.1
61179	Molecular_Weight	345.65
5746414	Hydrogen_Bond_Acceptor_Count	3
7056	Mono_Isotopic_Weight	162.0236279
53814234	Hydrogen_Bond_Donor_Count	1
27307547	Hydrogen_Bond_Donor_Count	0
10462961	Exact_Mass	783.40948040
60196318	Molecular_Weight	358.9
96651	Defined_Bond_Stereo_Count	0
792	Defined_Bond_Stereo_Count	0
5351	Undefined_Bond_Stereo_Count	0
12695798	Non-hydrogen_Atom_Count	8
439156	Covalent_Unit_Count	1
9892540	Isotope_Atom_Count	0
9810772	Hydrogen_Bond_Acceptor_Count	7
13594	Hydrogen_Bond_Donor_Count	0
37907	Total_Formal_Charge	0
500460	Hydrogen_Bond_Donor_Count	0
140568	Structure_Complexity	98.6
26633	Molecular_Weight	361.9
66558601	Structure_Complexity	651
59301609	Defined_Atom_Stereo_Count	0
963715	Rotatable_Bond_Count	6
6419722	Mono_Isotopic_Weight	121.01974964
6473878	Defined_Atom_Stereo_Count	19
8584	Isotope_Atom_Count	0
135398743	Defined_Bond_Stereo_Count	3
656580	Molecular_Weight	423.2
625277	Defined_Bond_Stereo_Count	0
10414749	Hydrogen_Bond_Donor_Count	2
109094	Hydrogen_Bond_Acceptor_Count	3
12231	Exact_Mass	61.016378338
6620	Structure_Complexity	272
11632113	Hydrogen_Bond_Acceptor_Count	7
4712721	Undefined_Atom_Stereo_Count	0
1641	Non-hydrogen_Atom_Count	15
11416	Defined_Atom_Stereo_Count	0
534241	Molecular_Weight	96.09
18506437	Defined_Atom_Stereo_Count	0
164551	Exact_Mass	288.05936535
20056430	Defined_Atom_Stereo_Count	0
139807	Hydrogen_Bond_Donor_Count	0
5472	Hydrogen_Bond_Acceptor_Count	2
161830	Defined_Bond_Stereo_Count	0
7747	Hydrogen_Bond_Acceptor_Count	3
688573	Undefined_Atom_Stereo_Count	0
84731066	Covalent_Unit_Count	1
4436	Exact_Mass	210.115698455
5977	Undefined_Atom_Stereo_Count	0
3730	Structure_Complexity	653
19736925	Rotatable_Bond_Count	0
117188816	Total_Formal_Charge	0
53970299	Hydrogen_Bond_Acceptor_Count	1
15908	Hydrogen_Bond_Acceptor_Count	3
7280190	Undefined_Bond_Stereo_Count	0
360081	Isotope_Atom_Count	0
574717	Undefined_Atom_Stereo_Count	1
68323	Hydrogen_Bond_Donor_Count	0
19188	Covalent_Unit_Count	1
19073879	Total_Formal_Charge	0
85773920	Total_Formal_Charge	0
174341	Structure_Complexity	345
398743	Exact_Mass	249.1971756
10309114	Covalent_Unit_Count	1
124844	Exact_Mass	207.125928785
89033918	Molecular_Weight	108.10
49750	Undefined_Atom_Stereo_Count	0
21648	Exact_Mass	164.083729621
5288725	TPSA	49.3
71141	Mono_Isotopic_Weight	519.06645956
5909	Exact_Mass	244.0978555
24796710	Hydrogen_Bond_Donor_Count	0
79154	Covalent_Unit_Count	3
688009	Defined_Atom_Stereo_Count	2
58481202	TPSA	190
232326	Structure_Complexity	441
123911014	XLogP3-AA	1.7
67811115	Defined_Atom_Stereo_Count	0
7093	Total_Formal_Charge	0
2450	Covalent_Unit_Count	1
19734140	XLogP3-AA	0.9
2776282	TPSA	41.1
60182	Isotope_Atom_Count	0
23668516	Undefined_Bond_Stereo_Count	0
24916845	Undefined_Atom_Stereo_Count	0
8267	Hydrogen_Bond_Acceptor_Count	4
139179563	Covalent_Unit_Count	2
45085421	Hydrogen_Bond_Acceptor_Count	2
75341	TPSA	44
86	Non-hydrogen_Atom_Count	11
44339135	Undefined_Bond_Stereo_Count	0
520301	TPSA	12
235905	Hydrogen_Bond_Donor_Count	1
21832123	TPSA	51.8
7160	TPSA	35.5
89479318	Isotope_Atom_Count	0
8823	Non-hydrogen_Atom_Count	6
71583604	Total_Formal_Charge	0
85570	Tautomer_Count	1
24739911	Non-hydrogen_Atom_Count	48
12769202	Total_Formal_Charge	0
223368	XLogP3-AA	2.9
116119794	Covalent_Unit_Count	1
13867124	Exact_Mass	288.183778013
16220118	Isotope_Atom_Count	0
14207546	Hydrogen_Bond_Donor_Count	1
43833353	Isotope_Atom_Count	0
15269993	Hydrogen_Bond_Donor_Count	1
6057875	Total_Formal_Charge	0
74141	Structure_Complexity	114
87653	Covalent_Unit_Count	1
153913521	Hydrogen_Bond_Acceptor_Count	2
72199784	Structure_Complexity	626
36890	Exact_Mass	371.14812078
23557542	Defined_Bond_Stereo_Count	0
5462311	TPSA	0
5353510	XLogP3	0
16116	XLogP3	3.3
58	Mono_Isotopic_Weight	102.031694049
136340880	Molecular_Weight	108.10
153386860	Non-hydrogen_Atom_Count	8
71867	Defined_Atom_Stereo_Count	0
29800	TPSA	66.9
21049457	Defined_Bond_Stereo_Count	0
8163	Isotope_Atom_Count	0
7120	Exact_Mass	164.131348519
87157524	Hydrogen_Bond_Acceptor_Count	4
25094630	Total_Formal_Charge	0
22649035	Isotope_Atom_Count	0
14796	Undefined_Bond_Stereo_Count	0
18369938	Hydrogen_Bond_Acceptor_Count	3
451448	Rotatable_Bond_Count	3
39356	Hydrogen_Bond_Acceptor_Count	2
923	Mono_Isotopic_Weight	22.98976928
80245	Hydrogen_Bond_Acceptor_Count	0
58606855	Non-hydrogen_Atom_Count	5
226108	Structure_Complexity	64.4
37829	XLogP3-AA	2.4
12293	Hydrogen_Bond_Acceptor_Count	2
16409	Exact_Mass	366.02863691
9795291	Undefined_Bond_Stereo_Count	0
17111	Non-hydrogen_Atom_Count	10
6917941	Undefined_Bond_Stereo_Count	0
101171	Covalent_Unit_Count	1
95913783	Undefined_Atom_Stereo_Count	0
96237	XLogP3	0.2
5354626	Molecular_Weight	350.5
91245129	Undefined_Atom_Stereo_Count	0
13027232	Defined_Atom_Stereo_Count	0
52421	TPSA	116
56935	Hydrogen_Bond_Acceptor_Count	4
9959	Total_Formal_Charge	0
15228410	Isotope_Atom_Count	0
67962	Undefined_Bond_Stereo_Count	0
98694	Undefined_Bond_Stereo_Count	0
9065	Tautomer_Count	1
53977611	TPSA	29.5
3527720	Exact_Mass	228.14739250
15496999	Defined_Atom_Stereo_Count	0
14815780	Defined_Bond_Stereo_Count	0
23276	Undefined_Bond_Stereo_Count	0
59446219	Hydrogen_Bond_Donor_Count	7
7726	Structure_Complexity	95.1
916	Non-hydrogen_Atom_Count	17
6004	Structure_Complexity	117
271218	Total_Formal_Charge	0
9816483	Hydrogen_Bond_Donor_Count	2
18984521	Hydrogen_Bond_Donor_Count	1
14205264	TPSA	72.6
15920952	Non-hydrogen_Atom_Count	10
18432423	Covalent_Unit_Count	6
11051613	Undefined_Atom_Stereo_Count	1
129631271	Undefined_Atom_Stereo_Count	0
50	Molecular_Weight	194.14
611370	Isotope_Atom_Count	0
449293	TPSA	23.5
77097	Isotope_Atom_Count	0
90315	Rotatable_Bond_Count	10
62956	Hydrogen_Bond_Acceptor_Count	5
11953153	Molecular_Weight	489.4
83170	Undefined_Atom_Stereo_Count	0
817150	XLogP3-AA	0.3
20498	Rotatable_Bond_Count	5
6918126	Undefined_Atom_Stereo_Count	0
11622593	Defined_Atom_Stereo_Count	2
124770286	Undefined_Atom_Stereo_Count	0
90865	Hydrogen_Bond_Acceptor_Count	2
34698	Mono_Isotopic_Weight	656.15636224
8027	Rotatable_Bond_Count	0
5282180	Undefined_Atom_Stereo_Count	0
534767	Rotatable_Bond_Count	2
83478501	Isotope_Atom_Count	0
443382	Defined_Bond_Stereo_Count	0
107144	Isotope_Atom_Count	0
216416	Hydrogen_Bond_Acceptor_Count	3
88481084	XLogP3-AA	5.1
3667129	Isotope_Atom_Count	0
118984445	Exact_Mass	5823.6185391
11332430	Molecular_Weight	109.13
51256	Hydrogen_Bond_Acceptor_Count	1
95416	Structure_Complexity	312
69095	TPSA	111
2724294	Exact_Mass	166.062994177
126664809	Mono_Isotopic_Weight	303.14705815
4832	Isotope_Atom_Count	0
9872780	Rotatable_Bond_Count	8
38360	Hydrogen_Bond_Donor_Count	1
60165655	Structure_Complexity	308
100156	Undefined_Bond_Stereo_Count	0
533432	Defined_Bond_Stereo_Count	0
56670457	XLogP3-AA	2.9
21679899	Isotope_Atom_Count	0
20658615	Mono_Isotopic_Weight	112.052429494
60155099	Total_Formal_Charge	0
66051	Tautomer_Count	1
25106	Defined_Bond_Stereo_Count	0
23642301	Total_Formal_Charge	0
12596780	TPSA	17.1
90551	TPSA	93.1
9795547	Non-hydrogen_Atom_Count	20
53893636	Hydrogen_Bond_Donor_Count	1
1424	Rotatable_Bond_Count	14
67548	Isotope_Atom_Count	0
5259916	Total_Formal_Charge	0
71296969	Covalent_Unit_Count	2
152274	Undefined_Bond_Stereo_Count	0
7532	Covalent_Unit_Count	1
28431	Exact_Mass	114.068079557
67248272	TPSA	46.2
54594622	Defined_Bond_Stereo_Count	0
6377	Hydrogen_Bond_Donor_Count	1
21067	Exact_Mass	263.15214353
364849	Isotope_Atom_Count	0
76209	Molecular_Weight	102.13
60207729	Hydrogen_Bond_Acceptor_Count	4
123542468	Defined_Atom_Stereo_Count	0
320	Undefined_Bond_Stereo_Count	0
135458645	Hydrogen_Bond_Acceptor_Count	14
5282426	Rotatable_Bond_Count	3
178024	Hydrogen_Bond_Acceptor_Count	7
440005	Undefined_Bond_Stereo_Count	0
1283	Isotope_Atom_Count	0
632910	Exact_Mass	386.260965704
123134537	Exact_Mass	898.1762920
16120	Isotope_Atom_Count	0
91867648	Undefined_Atom_Stereo_Count	0
1413	Mono_Isotopic_Weight	320.23514488
5484438	Mono_Isotopic_Weight	407.19440226
6392641	Non-hydrogen_Atom_Count	48
11315	Structure_Complexity	523
160796	Undefined_Bond_Stereo_Count	0
51387014	Isotope_Atom_Count	0
20093437	Exact_Mass	108.032362755
44560080	Isotope_Atom_Count	0
59169	Defined_Atom_Stereo_Count	0
9961192	Hydrogen_Bond_Acceptor_Count	9
638047	Non-hydrogen_Atom_Count	7
10390369	Total_Formal_Charge	0
9324	Hydrogen_Bond_Acceptor_Count	4
32170	Defined_Atom_Stereo_Count	0
54708748	Defined_Bond_Stereo_Count	3
12271341	Covalent_Unit_Count	1
77442653	Total_Formal_Charge	0
148139	Isotope_Atom_Count	0
162400	Mono_Isotopic_Weight	451.036069
11208	Covalent_Unit_Count	1
19956	Covalent_Unit_Count	1
830713	Covalent_Unit_Count	1
5486204	Hydrogen_Bond_Donor_Count	0
71386	Exact_Mass	478.1922300
13311642	Total_Formal_Charge	0
10219763	Exact_Mass	192.0828400
5282545	Total_Formal_Charge	0
57992058	Hydrogen_Bond_Acceptor_Count	5
60209624	Hydrogen_Bond_Donor_Count	2
137572	Defined_Bond_Stereo_Count	0
157455	Isotope_Atom_Count	0
5640	Tautomer_Count	3
13349549	Rotatable_Bond_Count	0
123755	Hydrogen_Bond_Acceptor_Count	7
9898440	XLogP3-AA	7.5
15767	Isotope_Atom_Count	0
101614363	Isotope_Atom_Count	0
24714	Hydrogen_Bond_Donor_Count	6
53956489	XLogP3-AA	0.3
6710776	TPSA	122
3482402	Covalent_Unit_Count	1
25164108	Molecular_Weight	273.76
135985126	Mono_Isotopic_Weight	572.23947558
11546	Molecular_Weight	114.19
820	Hydrogen_Bond_Donor_Count	19
3951	Undefined_Bond_Stereo_Count	0
142749	Undefined_Bond_Stereo_Count	0
31279	Undefined_Atom_Stereo_Count	0
11381	Defined_Atom_Stereo_Count	0
56841653	Defined_Bond_Stereo_Count	0
114869	Isotope_Atom_Count	0
30973	Rotatable_Bond_Count	3
360	Defined_Atom_Stereo_Count	0
13140361	Molecular_Weight	107.15
55300295	TPSA	29.1
8674	Isotope_Atom_Count	0
6438715	Defined_Atom_Stereo_Count	5
13351946	Mono_Isotopic_Weight	125.058911855
2098	Covalent_Unit_Count	1
6919	Mono_Isotopic_Weight	112.016043985
286157	Total_Formal_Charge	0
91463	TPSA	40.5
24974448	Mono_Isotopic_Weight	95.037113783
85032	XLogP3-AA	1.4
5463911	Isotope_Atom_Count	0
56666736	Covalent_Unit_Count	1
139171227	Covalent_Unit_Count	1
559740	Hydrogen_Bond_Donor_Count	0
59486	Undefined_Atom_Stereo_Count	1
9821945	Total_Formal_Charge	0
46906319	Molecular_Weight	325.4
145562	Defined_Atom_Stereo_Count	0
71072034	XLogP3-AA	3.8
84647680	TPSA	38.3
23234	Defined_Atom_Stereo_Count	0
10276962	Defined_Bond_Stereo_Count	0
135417349	Hydrogen_Bond_Acceptor_Count	4
161829	XLogP3	7.7
44563178	Total_Formal_Charge	0
12371	Non-hydrogen_Atom_Count	8
10062737	Hydrogen_Bond_Acceptor_Count	5
5311167	Defined_Bond_Stereo_Count	0
102248370	Hydrogen_Bond_Acceptor_Count	4
53249535	Non-hydrogen_Atom_Count	26
71584285	Isotope_Atom_Count	0
10240761	Non-hydrogen_Atom_Count	6
62347	Mono_Isotopic_Weight	142.04907545
71624470	Covalent_Unit_Count	1
158698	Undefined_Bond_Stereo_Count	0
69690	Isotope_Atom_Count	0
18690759	Structure_Complexity	109
10314472	Molecular_Weight	328.7
20198024	TPSA	29.5
2344	Structure_Complexity	340
147569	Covalent_Unit_Count	1
556711	Tautomer_Count	1
5360315	Rotatable_Bond_Count	0
69286	Tautomer_Count	1
12626561	TPSA	44.5
11258170	Exact_Mass	402.0320169
12284866	Structure_Complexity	64
5201	Molecular_Weight	504.5
44229138	Hydrogen_Bond_Acceptor_Count	3
694876	Hydrogen_Bond_Acceptor_Count	3
9953205	Covalent_Unit_Count	1
5544	Total_Formal_Charge	0
15139	Undefined_Atom_Stereo_Count	0
53698003	Hydrogen_Bond_Donor_Count	0
81638	Exact_Mass	223.0036207
2666	Defined_Bond_Stereo_Count	0
91635	Exact_Mass	359.841466
568783	Isotope_Atom_Count	0
743492	Undefined_Bond_Stereo_Count	0
22108	Undefined_Atom_Stereo_Count	0
184366	Hydrogen_Bond_Acceptor_Count	2
139066803	Total_Formal_Charge	0
143286	Hydrogen_Bond_Donor_Count	1
3940	Defined_Atom_Stereo_Count	0
59122	Undefined_Atom_Stereo_Count	0
56991328	Defined_Bond_Stereo_Count	0
54684286	Undefined_Bond_Stereo_Count	0
44669160	TPSA	91.8
19829701	Structure_Complexity	107
54580845	Structure_Complexity	315
60196397	Mono_Isotopic_Weight	724.59570474
54169757	Rotatable_Bond_Count	3
5087	TPSA	59.6
7707	Total_Formal_Charge	0
2435	XLogP3-AA	0.6
22023476	XLogP3-AA	0.6
516356	Covalent_Unit_Count	1
73188670	Total_Formal_Charge	0
68552	Undefined_Bond_Stereo_Count	0
12231382	Mono_Isotopic_Weight	114.104465066
9543169	Hydrogen_Bond_Donor_Count	9
60154328	Hydrogen_Bond_Acceptor_Count	7
86289068	Undefined_Bond_Stereo_Count	0
22339897	Exact_Mass	825.35717005
62819	Hydrogen_Bond_Acceptor_Count	15
44349928	TPSA	62.9
6869	Non-hydrogen_Atom_Count	24
28183	Undefined_Atom_Stereo_Count	0
24450	Molecular_Weight	174.176
74041115	Molecular_Weight	96.17
13258395	Undefined_Atom_Stereo_Count	0
78836	Defined_Atom_Stereo_Count	0
57054055	Isotope_Atom_Count	0
4540	Undefined_Bond_Stereo_Count	0
5072	Hydrogen_Bond_Donor_Count	1
13618050	Non-hydrogen_Atom_Count	7
160492	Hydrogen_Bond_Donor_Count	1
44144829	Undefined_Bond_Stereo_Count	0
5054	Mono_Isotopic_Weight	110.036779430
65637	Undefined_Atom_Stereo_Count	0
25315	Isotope_Atom_Count	0
84151	XLogP3	4.5
79856	Covalent_Unit_Count	1
77794	Undefined_Atom_Stereo_Count	0
18687754	Total_Formal_Charge	0
65781	Hydrogen_Bond_Donor_Count	2
15884	Total_Formal_Charge	0
32503	Structure_Complexity	169
98648	Defined_Atom_Stereo_Count	0
131731052	Isotope_Atom_Count	0
12896295	Defined_Bond_Stereo_Count	0
3758882	Exact_Mass	154.03784206
348554	Rotatable_Bond_Count	0
22281424	Hydrogen_Bond_Acceptor_Count	2
788	Exact_Mass	854.28579601
132575067	Non-hydrogen_Atom_Count	20
23435	Hydrogen_Bond_Donor_Count	1
25235747	Defined_Bond_Stereo_Count	0
3023	Total_Formal_Charge	0
137572	Defined_Atom_Stereo_Count	0
76487	TPSA	70.1
97337	Isotope_Atom_Count	0
139587322	Non-hydrogen_Atom_Count	18
15421	XLogP3-AA	3.4
85916	Isotope_Atom_Count	0
16623	TPSA	138
20033044	Non-hydrogen_Atom_Count	8
70690634	Undefined_Atom_Stereo_Count	0
10937610	Covalent_Unit_Count	1
112412	Total_Formal_Charge	0
20253286	Molecular_Weight	111.14
45408	Non-hydrogen_Atom_Count	22
142552	Defined_Atom_Stereo_Count	0
657308	Rotatable_Bond_Count	6
54698174	Structure_Complexity	1120
114840	Rotatable_Bond_Count	2
62705	Structure_Complexity	31
6602103	Mono_Isotopic_Weight	194.04265265
130509102	TPSA	56
85775728	Rotatable_Bond_Count	1
87810	Total_Formal_Charge	0
129693502	Non-hydrogen_Atom_Count	29
24888274	Hydrogen_Bond_Acceptor_Count	3
9219	TPSA	28.7
2202	Structure_Complexity	287
23278143	Undefined_Atom_Stereo_Count	0
5460188	Defined_Atom_Stereo_Count	6
134754219	Rotatable_Bond_Count	3
121903	Rotatable_Bond_Count	1
87592747	XLogP3-AA	0.6
453	Undefined_Atom_Stereo_Count	4
22530	Undefined_Atom_Stereo_Count	0
93186	Defined_Bond_Stereo_Count	0
17004	TPSA	20.2
75779	Undefined_Atom_Stereo_Count	0
637932	Mono_Isotopic_Weight	84.05512859
46552	Hydrogen_Bond_Donor_Count	0
2336530	Total_Formal_Charge	0
91487	Total_Formal_Charge	0
3654	Total_Formal_Charge	0
10975462	Mono_Isotopic_Weight	116.047344113
15951	Structure_Complexity	176
135814155	Total_Formal_Charge	0
8177	Exact_Mass	162.125594432
86857	Mono_Isotopic_Weight	388.22497412
6166	Non-hydrogen_Atom_Count	24
129712967	Defined_Atom_Stereo_Count	0
6365696	Mono_Isotopic_Weight	280.240230259
580057	Total_Formal_Charge	0
44352805	Mono_Isotopic_Weight	519.14640670
89374440	Isotope_Atom_Count	0
15437	Rotatable_Bond_Count	4
3354	Covalent_Unit_Count	1
21417010	Defined_Bond_Stereo_Count	0
4183	Covalent_Unit_Count	1
66409	Structure_Complexity	589
25273208	Molecular_Weight	388.9
521796	Hydrogen_Bond_Donor_Count	0
67002565	Rotatable_Bond_Count	2
671761	Exact_Mass	265.05504947
72571	Structure_Complexity	675
2543	Defined_Bond_Stereo_Count	0
3683	XLogP3-AA	1.9
946899	Undefined_Bond_Stereo_Count	0
11972	Defined_Atom_Stereo_Count	0
18947655	Defined_Bond_Stereo_Count	0
163771360	Rotatable_Bond_Count	2
165588672	Total_Formal_Charge	0
102452877	Isotope_Atom_Count	0
5455	Rotatable_Bond_Count	3
18601660	Isotope_Atom_Count	0
5282251	Hydrogen_Bond_Acceptor_Count	10
13625	Hydrogen_Bond_Donor_Count	1
121285115	XLogP3-AA	2.5
67639	Mono_Isotopic_Weight	332.0070527
12476687	Rotatable_Bond_Count	1
12220	XLogP3	2.3
398655	Rotatable_Bond_Count	6
53389	TPSA	20.2
129630288	Defined_Bond_Stereo_Count	0
94301	XLogP3-AA	1.4
14521669	Exact_Mass	390.16785316
706529	Rotatable_Bond_Count	5
5826	Rotatable_Bond_Count	2
10065	Total_Formal_Charge	0
39042	Molecular_Weight	361.8
9829639	Rotatable_Bond_Count	4
528856	Exact_Mass	196.04141403
49865859	XLogP3-AA	3.5
230976	Total_Formal_Charge	0
10176229	Undefined_Atom_Stereo_Count	0
6435397	Defined_Atom_Stereo_Count	0
91644	Hydrogen_Bond_Donor_Count	0
44454	Hydrogen_Bond_Acceptor_Count	3
24825251	Structure_Complexity	674
8479	Defined_Atom_Stereo_Count	0
241419	Defined_Atom_Stereo_Count	2
521324	Mono_Isotopic_Weight	101.084063974
122	Covalent_Unit_Count	1
25023853	Hydrogen_Bond_Acceptor_Count	3
149208291	Undefined_Bond_Stereo_Count	0
22001134	Exact_Mass	100.027277375
24723	Isotope_Atom_Count	0
20689	Isotope_Atom_Count	0
5	Hydrogen_Bond_Donor_Count	3
33603	Molecular_Weight	212.25
67522	Total_Formal_Charge	0
129651092	Defined_Atom_Stereo_Count	1
23582412	XLogP3-AA	2.8
91773	XLogP3	3.9
266	Mono_Isotopic_Weight	168.01876038
4344	Exact_Mass	105.102788042
163050676	Undefined_Atom_Stereo_Count	0
107927	TPSA	78.8
17218	Tautomer_Count	1
19754593	Covalent_Unit_Count	1
115237	Defined_Atom_Stereo_Count	0
37037	Undefined_Atom_Stereo_Count	0
3034828	Hydrogen_Bond_Donor_Count	9
778159	Structure_Complexity	170
5154	Covalent_Unit_Count	1
137090	Defined_Bond_Stereo_Count	0
1252759	Exact_Mass	152.120115130
139087298	TPSA	89.7
44565776	Undefined_Bond_Stereo_Count	0
4469994	Hydrogen_Bond_Donor_Count	2
27423	Undefined_Atom_Stereo_Count	0
145305028	Structure_Complexity	86.1
67979331	Structure_Complexity	701
657210	Exact_Mass	203.0713064
11062335	Molecular_Weight	110.15
14139322	Hydrogen_Bond_Acceptor_Count	1
10329946	Molecular_Weight	181.15
7017843	Molecular_Weight	107.11
117516	Defined_Bond_Stereo_Count	0
30053	Defined_Atom_Stereo_Count	0
68909	Hydrogen_Bond_Donor_Count	1
199229	Hydrogen_Bond_Acceptor_Count	2
667639	Non-hydrogen_Atom_Count	18
72487	Hydrogen_Bond_Donor_Count	1
12358803	Isotope_Atom_Count	0
10997483	Undefined_Atom_Stereo_Count	0
9265	Undefined_Atom_Stereo_Count	0
96237	Undefined_Atom_Stereo_Count	0
55291303	Covalent_Unit_Count	1
7713	Covalent_Unit_Count	1
21942990	Mono_Isotopic_Weight	100.052429494
4666	Exact_Mass	853.33095530
9930049	Covalent_Unit_Count	1
4829	Defined_Bond_Stereo_Count	0
57468	Defined_Atom_Stereo_Count	0
5257	Non-hydrogen_Atom_Count	28
10229498	Hydrogen_Bond_Acceptor_Count	5
11825335	Mono_Isotopic_Weight	391.1350495
91384976	Mono_Isotopic_Weight	665.30474055
725300	Total_Formal_Charge	0
308140	Undefined_Atom_Stereo_Count	0
170993	Hydrogen_Bond_Donor_Count	0
54133029	Total_Formal_Charge	0
59751	Exact_Mass	408.15862589
96424	Exact_Mass	353.01401281
129544	Molecular_Weight	262.15
14230	Hydrogen_Bond_Acceptor_Count	1
809629	Mono_Isotopic_Weight	321.04710720
10405	Isotope_Atom_Count	0
91723653	Rotatable_Bond_Count	1
3751958	Total_Formal_Charge	1
26927	Covalent_Unit_Count	1
55861	Hydrogen_Bond_Donor_Count	2
118797455	XLogP3-AA	5.1
7131616	TPSA	41.1
76487	Tautomer_Count	1
138200	Exact_Mass	98.036779430
36217	Covalent_Unit_Count	1
135509116	Structure_Complexity	858
8672	Total_Formal_Charge	0
160743752	Defined_Bond_Stereo_Count	0
13888	Covalent_Unit_Count	1
71560031	Undefined_Atom_Stereo_Count	0
516902	Covalent_Unit_Count	2
146265392	Rotatable_Bond_Count	1
129860447	Exact_Mass	87.068413911
31304	Hydrogen_Bond_Acceptor_Count	13
920954	Isotope_Atom_Count	0
6529	Hydrogen_Bond_Donor_Count	0
54480591	Exact_Mass	94.078250319
5280880	Covalent_Unit_Count	1
25099	Molecular_Weight	301.4
1341	XLogP3-AA	3.3
19165	XLogP3	3.7
17318	Structure_Complexity	229
13658	Defined_Bond_Stereo_Count	0
86811257	Structure_Complexity	110
55283	Tautomer_Count	1
805985	Covalent_Unit_Count	1
6740	Total_Formal_Charge	0
8259	Mono_Isotopic_Weight	147.924948
3664740	Structure_Complexity	509
14763103	Covalent_Unit_Count	1
55285855	XLogP3	0.1
4126	XLogP3-AA	2.2
8275	Hydrogen_Bond_Donor_Count	2
23566493	Isotope_Atom_Count	0
6658	Non-hydrogen_Atom_Count	7
8058	Mono_Isotopic_Weight	86.109550447
129847313	Covalent_Unit_Count	1
11908490	Total_Formal_Charge	0
8148	Defined_Bond_Stereo_Count	0
9802028	Total_Formal_Charge	0
18442760	Defined_Atom_Stereo_Count	0
45116668	Mono_Isotopic_Weight	110.048012819
53393738	Molecular_Weight	266.0
119097350	Hydrogen_Bond_Donor_Count	0
114853	Exact_Mass	139.90545
76548	Exact_Mass	164.131348519
5281575	Isotope_Atom_Count	0
7790	XLogP3-AA	2.4
3036289	Hydrogen_Bond_Donor_Count	0
14552708	Rotatable_Bond_Count	12
61524	Defined_Bond_Stereo_Count	0
102	Hydrogen_Bond_Acceptor_Count	2
13853	Exact_Mass	86.073164938
13184	XLogP3	4.5
9887844	Hydrogen_Bond_Acceptor_Count	5
2173	Hydrogen_Bond_Donor_Count	2
2762894	Mono_Isotopic_Weight	108.068748264
634470	Rotatable_Bond_Count	4
14923234	Non-hydrogen_Atom_Count	8
112072	Defined_Bond_Stereo_Count	0
169535	Covalent_Unit_Count	4
21519427	Non-hydrogen_Atom_Count	8
135499741	Defined_Bond_Stereo_Count	0
7790	Rotatable_Bond_Count	11
122361564	Structure_Complexity	1940
3406	Hydrogen_Bond_Acceptor_Count	1
25116191	Structure_Complexity	507
641115	Non-hydrogen_Atom_Count	19
23724817	Tautomer_Count	1
177843	Molecular_Weight	404.1
23677974	Non-hydrogen_Atom_Count	21
6973664	Undefined_Bond_Stereo_Count	0
56120	Hydrogen_Bond_Acceptor_Count	5
60420	Rotatable_Bond_Count	11
3050432	Hydrogen_Bond_Acceptor_Count	2
157903531	Undefined_Bond_Stereo_Count	0
34572	Total_Formal_Charge	0
50901	Hydrogen_Bond_Acceptor_Count	4
8918	Mono_Isotopic_Weight	186.161979940
91370278	Exact_Mass	94.078250319
29215	XLogP3-AA	2.9
13860942	Hydrogen_Bond_Acceptor_Count	3
11421	Structure_Complexity	165
25207583	Defined_Atom_Stereo_Count	0
24705318	Undefined_Atom_Stereo_Count	0
139089144	Undefined_Bond_Stereo_Count	0
56955181	Mono_Isotopic_Weight	350.178298710
130881	Molecular_Weight	558.6
28361	Molecular_Weight	417.0
15858955	Defined_Bond_Stereo_Count	1
10113978	Undefined_Atom_Stereo_Count	0
20188397	Structure_Complexity	101
21943991	XLogP3-AA	2.2
50993725	Defined_Bond_Stereo_Count	0
22380788	Covalent_Unit_Count	1
68602320	Total_Formal_Charge	0
54280	Exact_Mass	214.121846464
136729	Covalent_Unit_Count	1
5786	Isotope_Atom_Count	0
101316977	TPSA	54.4
19526	Structure_Complexity	70.1
5361250	Molecular_Weight	198.18
3246	Rotatable_Bond_Count	0
104748	Hydrogen_Bond_Acceptor_Count	4
9797798	Rotatable_Bond_Count	3
54870	TPSA	28.5
3985	Undefined_Bond_Stereo_Count	0
5814	Non-hydrogen_Atom_Count	12
44570384	Isotope_Atom_Count	0
523251	Undefined_Atom_Stereo_Count	0
17142	Mono_Isotopic_Weight	297.09608521
6437859	Non-hydrogen_Atom_Count	15
10470475	Undefined_Atom_Stereo_Count	0
54676038	Non-hydrogen_Atom_Count	25
9554809	Undefined_Atom_Stereo_Count	0
1960	Isotope_Atom_Count	0
11764	XLogP3	2.5
521	TPSA	409
67895	Undefined_Atom_Stereo_Count	0
24389	Hydrogen_Bond_Donor_Count	1
22754947	Non-hydrogen_Atom_Count	13
2645	Mono_Isotopic_Weight	557.12501980
24849133	Total_Formal_Charge	1
12201381	Undefined_Atom_Stereo_Count	0
6544	Isotope_Atom_Count	0
2595	Hydrogen_Bond_Donor_Count	1
57201545	Molecular_Weight	101.10
46836890	TPSA	84.9
471360	Rotatable_Bond_Count	2
170563	Hydrogen_Bond_Donor_Count	2
36538	Structure_Complexity	301
205324	Undefined_Bond_Stereo_Count	0
290670	Mono_Isotopic_Weight	364.18858861
160492	Covalent_Unit_Count	1
18619375	TPSA	61.4
34831	Total_Formal_Charge	0
15940170	Structure_Complexity	655
10290754	Defined_Bond_Stereo_Count	0
18955656	Undefined_Atom_Stereo_Count	0
135442966	Non-hydrogen_Atom_Count	62
134836185	Isotope_Atom_Count	0
4649906	TPSA	26.8
5192	Undefined_Bond_Stereo_Count	0
163090692	Rotatable_Bond_Count	11
67089	Hydrogen_Bond_Donor_Count	2
53738699	Non-hydrogen_Atom_Count	8
102358067	Defined_Atom_Stereo_Count	0
6850813	Structure_Complexity	237
11672461	Covalent_Unit_Count	5
5459377	Molecular_Weight	677.9
69429	TPSA	59.8
216468	XLogP3-AA	1.8
64040	Covalent_Unit_Count	1
327041	Hydrogen_Bond_Acceptor_Count	2
23354	Hydrogen_Bond_Donor_Count	0
21139953	Isotope_Atom_Count	0
13068	Exact_Mass	192.093900383
65914	Defined_Bond_Stereo_Count	0
119057560	Non-hydrogen_Atom_Count	52
141319360	Covalent_Unit_Count	1
67505	XLogP3-AA	1.9
91285707	Non-hydrogen_Atom_Count	7
11575878	Non-hydrogen_Atom_Count	33
168256	Non-hydrogen_Atom_Count	31
12441659	Hydrogen_Bond_Donor_Count	0
21702	TPSA	25.3
23551	Mono_Isotopic_Weight	290.199428076
21523541	Mono_Isotopic_Weight	106.078250319
639661	Non-hydrogen_Atom_Count	6
86446	Molecular_Weight	282.36
123143	Rotatable_Bond_Count	0
521983	Structure_Complexity	93.5
81782	Structure_Complexity	46.1
612684	Undefined_Atom_Stereo_Count	0
140905	Exact_Mass	112.088815002
1548971	Hydrogen_Bond_Donor_Count	2
30131	Total_Formal_Charge	0
14434921	Total_Formal_Charge	0
24623	Tautomer_Count	1
50878566	Exact_Mass	306.15929460
11501341	Undefined_Atom_Stereo_Count	0
91561252	Isotope_Atom_Count	0
59440	Total_Formal_Charge	0
2803172	Exact_Mass	223.08579531
6603108	Defined_Atom_Stereo_Count	5
4928	Undefined_Atom_Stereo_Count	0
54362500	XLogP3-AA	0.2
137829	Hydrogen_Bond_Acceptor_Count	1
67809	Total_Formal_Charge	0
12536731	TPSA	9.2
7288	Non-hydrogen_Atom_Count	6
21999609	Total_Formal_Charge	0
12546246	Hydrogen_Bond_Donor_Count	0
147707445	Covalent_Unit_Count	1
4180	Molecular_Weight	293.3
72614909	Total_Formal_Charge	0
12940550	Rotatable_Bond_Count	2
9793696	Undefined_Bond_Stereo_Count	0
546482	Non-hydrogen_Atom_Count	21
6379	Non-hydrogen_Atom_Count	6
5281888	Structure_Complexity	693
82058	Undefined_Bond_Stereo_Count	0
13347992	Undefined_Atom_Stereo_Count	0
12420323	Undefined_Bond_Stereo_Count	0
70684313	Exact_Mass	411.15560620
4261	Structure_Complexity	508
5280888	Defined_Atom_Stereo_Count	5
6403	Undefined_Atom_Stereo_Count	0
74826	Hydrogen_Bond_Donor_Count	1
10339178	Non-hydrogen_Atom_Count	13
444237	Structure_Complexity	2230
4278	Hydrogen_Bond_Acceptor_Count	2
11481426	Structure_Complexity	254
14849721	Structure_Complexity	46.5
3630	XLogP3-AA	0.7
11263492	TPSA	9.2
9973799	Isotope_Atom_Count	0
101707	Exact_Mass	235.136099547
22218081	Undefined_Bond_Stereo_Count	0
23683016	Covalent_Unit_Count	2
6331	Non-hydrogen_Atom_Count	1
50878597	Hydrogen_Bond_Acceptor_Count	3
4915	Mono_Isotopic_Weight	221.152812238
19868	TPSA	41.1
9813985	Molecular_Weight	267.3
5282230	TPSA	84.9
91414	Covalent_Unit_Count	1
5413034	Total_Formal_Charge	0
85822	Mono_Isotopic_Weight	161.05104977
54544621	Non-hydrogen_Atom_Count	8
77296482	Hydrogen_Bond_Donor_Count	2
456190	Isotope_Atom_Count	0
7047	Non-hydrogen_Atom_Count	10
90488875	Covalent_Unit_Count	3
123924	XLogP3-AA	4.9
47547	Undefined_Atom_Stereo_Count	0
533854	XLogP3-AA	0.7
16498	Isotope_Atom_Count	0
58099153	TPSA	13.1
19363031	Rotatable_Bond_Count	1
636	Exact_Mass	251.10183929
76241	XLogP3-AA	4.1
66645351	Covalent_Unit_Count	1
41017	Tautomer_Count	1
22338748	Defined_Atom_Stereo_Count	0
21519577	Defined_Bond_Stereo_Count	0
11051613	Molecular_Weight	114.14
137658	Undefined_Bond_Stereo_Count	0
5385314	Exact_Mass	170.05790880
10177255	Molecular_Weight	371.8
8229	TPSA	424
6433334	Total_Formal_Charge	0
118797622	Non-hydrogen_Atom_Count	12
87468828	Molecular_Weight	110.15
33838	Undefined_Bond_Stereo_Count	0
7824	Covalent_Unit_Count	1
125889	Undefined_Atom_Stereo_Count	0
329983	TPSA	13.1
24859718	Mono_Isotopic_Weight	282.08268425
704233	Undefined_Atom_Stereo_Count	0
137264	Isotope_Atom_Count	0
135452521	Structure_Complexity	1720
11180	Non-hydrogen_Atom_Count	21
71401	Defined_Atom_Stereo_Count	0
45357148	Undefined_Atom_Stereo_Count	5
24766296	Defined_Atom_Stereo_Count	0
91061	Total_Formal_Charge	0
58323974	Non-hydrogen_Atom_Count	8
91489367	Non-hydrogen_Atom_Count	23
56841975	Non-hydrogen_Atom_Count	23
12312963	Exact_Mass	94.053098200
40771	XLogP3-AA	4.6
177865	Rotatable_Bond_Count	4
6433117	Isotope_Atom_Count	0
8917	Non-hydrogen_Atom_Count	11
721861	Rotatable_Bond_Count	5
1549065	Undefined_Atom_Stereo_Count	0
418360	Defined_Atom_Stereo_Count	0
13191	Structure_Complexity	56.6
4075	Tautomer_Count	9
216325	Hydrogen_Bond_Donor_Count	2
10777574	Hydrogen_Bond_Acceptor_Count	3
5591	Isotope_Atom_Count	0
2562	Exact_Mass	333.23039385
23668195	Total_Formal_Charge	0
7209	Non-hydrogen_Atom_Count	37
2819635	Hydrogen_Bond_Donor_Count	0
61370	Undefined_Bond_Stereo_Count	1
132252	Mono_Isotopic_Weight	383.0820006
16737690	Isotope_Atom_Count	0
23365036	Non-hydrogen_Atom_Count	7
16682935	Defined_Atom_Stereo_Count	0
60198	Covalent_Unit_Count	1
53494972	Rotatable_Bond_Count	3
25229	Exact_Mass	1253.5549
24582	XLogP3-AA	13
83445	Tautomer_Count	5
10090	TPSA	20.3
1219	Undefined_Bond_Stereo_Count	0
139593469	Hydrogen_Bond_Acceptor_Count	20
537445	Defined_Atom_Stereo_Count	0
35949	Total_Formal_Charge	0
59125088	Hydrogen_Bond_Donor_Count	5
48973	Rotatable_Bond_Count	6
68547	Hydrogen_Bond_Acceptor_Count	5
135566455	Hydrogen_Bond_Donor_Count	5
69264	Tautomer_Count	3
13808264	Exact_Mass	114.068079557
45116665	Exact_Mass	110.084398327
141037332	Isotope_Atom_Count	0
65970	TPSA	138
14786532	Exact_Mass	111.068413911
168447	Tautomer_Count	1
107963	Isotope_Atom_Count	0
86956	Molecular_Weight	228.4
25094902	Rotatable_Bond_Count	7
14960	Structure_Complexity	1620
10111265	Total_Formal_Charge	0
49869312	TPSA	63.6
12302695	Hydrogen_Bond_Donor_Count	8
36486	Isotope_Atom_Count	0
136213033	Covalent_Unit_Count	1
3410	Undefined_Bond_Stereo_Count	0
10335364	Undefined_Atom_Stereo_Count	0
524894	Hydrogen_Bond_Acceptor_Count	2
6538982	Rotatable_Bond_Count	11
517327	Hydrogen_Bond_Acceptor_Count	3
447966	Isotope_Atom_Count	0
162413	Molecular_Weight	186.29
2762918	Hydrogen_Bond_Donor_Count	1
5365811	Total_Formal_Charge	0
6918637	Exact_Mass	473.32535686
919792	Undefined_Atom_Stereo_Count	0
71364	Mono_Isotopic_Weight	1303.66079514
155893809	Covalent_Unit_Count	1
70684	Total_Formal_Charge	0
233979	Total_Formal_Charge	0
54114	Isotope_Atom_Count	0
87661	Tautomer_Count	1
43261	Rotatable_Bond_Count	7
16395512	Non-hydrogen_Atom_Count	58
23681559	TPSA	72.8
11702315	Structure_Complexity	327
445395	Hydrogen_Bond_Acceptor_Count	11
9280	Structure_Complexity	249
6287	Rotatable_Bond_Count	2
19660	XLogP3-AA	1.2
61785	Undefined_Bond_Stereo_Count	0
25246317	Exact_Mass	1092.64306214
13218140	Isotope_Atom_Count	0
139292184	Undefined_Atom_Stereo_Count	3
16135415	Undefined_Atom_Stereo_Count	0
2772687	Covalent_Unit_Count	1
71304	Hydrogen_Bond_Donor_Count	1
542338	Mono_Isotopic_Weight	100.088815002
8001	XLogP3	2.4
160883	Undefined_Atom_Stereo_Count	0
694395	Structure_Complexity	440
736	Hydrogen_Bond_Acceptor_Count	6
88674536	Structure_Complexity	102
33256	Hydrogen_Bond_Acceptor_Count	4
5287851	Covalent_Unit_Count	1
97390	Undefined_Bond_Stereo_Count	0
40466988	Non-hydrogen_Atom_Count	36
41209	Isotope_Atom_Count	0
162501	Covalent_Unit_Count	1
12302694	Isotope_Atom_Count	0
14324660	Defined_Atom_Stereo_Count	0
70715	Molecular_Weight	96.09
61670	Hydrogen_Bond_Donor_Count	0
90703052	Mono_Isotopic_Weight	114.042927438
6627	TPSA	0
24913	Undefined_Atom_Stereo_Count	0
154095	Non-hydrogen_Atom_Count	37
49862460	Mono_Isotopic_Weight	372.18714931
557356	Mono_Isotopic_Weight	157.04874109
10964334	Structure_Complexity	2320
9980551	Rotatable_Bond_Count	4
736188	Non-hydrogen_Atom_Count	20
57173187	Total_Formal_Charge	0
24643	Defined_Atom_Stereo_Count	0
704528	Mono_Isotopic_Weight	280.08816355
23685849	Mono_Isotopic_Weight	212.06606779
70689318	XLogP3-AA	3.6
81836	Defined_Bond_Stereo_Count	0
88875	Hydrogen_Bond_Donor_Count	0
12581	Defined_Bond_Stereo_Count	0
21874242	Exact_Mass	816.39097102
20836217	Undefined_Atom_Stereo_Count	0
105426997	Exact_Mass	112.088815002
6956	Defined_Atom_Stereo_Count	0
6263274	Total_Formal_Charge	0
122004	Covalent_Unit_Count	1
19657	Defined_Bond_Stereo_Count	0
196672	Defined_Atom_Stereo_Count	5
65776	Non-hydrogen_Atom_Count	26
117659387	Mono_Isotopic_Weight	110.073164938
44273397	Hydrogen_Bond_Donor_Count	1
483180	TPSA	57.6
102306506	Rotatable_Bond_Count	0
91996283	Isotope_Atom_Count	0
104956	Exact_Mass	366.19434270
3082754	Hydrogen_Bond_Acceptor_Count	3
18343488	TPSA	66.4
71416538	Defined_Bond_Stereo_Count	0
59310309	Covalent_Unit_Count	1
24757913	TPSA	206
68891	Molecular_Weight	409.7
18359433	Molecular_Weight	98.10
179512	Molecular_Weight	100.16
12687479	Undefined_Bond_Stereo_Count	0
5103	Molecular_Weight	516.5
43536	Non-hydrogen_Atom_Count	26
67382752	Undefined_Atom_Stereo_Count	0
1021	Mono_Isotopic_Weight	226.09535693
41331	Molecular_Weight	144.12
51170	Structure_Complexity	209
28114	Molecular_Weight	110.11
11137101	Undefined_Atom_Stereo_Count	0
78358485	Covalent_Unit_Count	1
6896	Isotope_Atom_Count	0
257950	Mono_Isotopic_Weight	162.068079557
71391745	Structure_Complexity	87.7
88924436	Isotope_Atom_Count	0
188350	Undefined_Atom_Stereo_Count	0
18923028	Total_Formal_Charge	0
11261	TPSA	20.2
36798	XLogP3	1.3
70609968	Rotatable_Bond_Count	1
141545	XLogP3-AA	1.4
1714	Non-hydrogen_Atom_Count	23
12607503	Covalent_Unit_Count	1
76284	Covalent_Unit_Count	1
141429324	TPSA	21.9
9045	Hydrogen_Bond_Donor_Count	2
13380150	Undefined_Bond_Stereo_Count	0
969097	Mono_Isotopic_Weight	288.11100700
13220626	Undefined_Bond_Stereo_Count	0
692135	Defined_Atom_Stereo_Count	1
16760155	TPSA	65.6
139078692	Defined_Atom_Stereo_Count	0
616236	Non-hydrogen_Atom_Count	17
4760	Exact_Mass	222.068079557
11815712	TPSA	279
576026	Molecular_Weight	188.26
856278	Isotope_Atom_Count	0
7566642	Hydrogen_Bond_Donor_Count	0
89158693	Molecular_Weight	110.15
5743836	Isotope_Atom_Count	0
3356	Total_Formal_Charge	0
8638	Undefined_Bond_Stereo_Count	0
5353843	Undefined_Bond_Stereo_Count	0
3032818	XLogP3	3.1
18691	Hydrogen_Bond_Donor_Count	0
88489334	Structure_Complexity	122
16038399	Molecular_Weight	373.4
35455	Rotatable_Bond_Count	4
134694678	Molecular_Weight	585.7
38	Undefined_Bond_Stereo_Count	0
5250834	Hydrogen_Bond_Acceptor_Count	0
6005	Defined_Bond_Stereo_Count	0
45271369	Molecular_Weight	367.5
56620275	Exact_Mass	100.088815002
725	Structure_Complexity	110
11504295	Tautomer_Count	15
7374	Undefined_Bond_Stereo_Count	0
135686255	Total_Formal_Charge	0
90479783	Hydrogen_Bond_Donor_Count	3
529389	Non-hydrogen_Atom_Count	8
5863	Defined_Atom_Stereo_Count	7
54362500	Mono_Isotopic_Weight	116.058577502
57057056	Molecular_Weight	116.16
533994	Covalent_Unit_Count	1
550719	Mono_Isotopic_Weight	110.048012819
6918615	Hydrogen_Bond_Acceptor_Count	5
129627802	Mono_Isotopic_Weight	842.51400504
5380	Isotope_Atom_Count	0
72790	Hydrogen_Bond_Acceptor_Count	4
54556023	Hydrogen_Bond_Acceptor_Count	2
6992563	Rotatable_Bond_Count	9
55284153	Undefined_Atom_Stereo_Count	0
11550004	Defined_Atom_Stereo_Count	0
2761034	Total_Formal_Charge	0
12111	Mono_Isotopic_Weight	200.083729621
6762	Total_Formal_Charge	0
91037	Hydrogen_Bond_Acceptor_Count	7
67294	Exact_Mass	194.08037557
11667832	Exact_Mass	370.18925731
14805	Total_Formal_Charge	0
911106	Non-hydrogen_Atom_Count	23
129456	Hydrogen_Bond_Donor_Count	0
57750420	Covalent_Unit_Count	1
101621558	Structure_Complexity	489
817383	Covalent_Unit_Count	1
50923	Mono_Isotopic_Weight	336.0796186
117979204	Covalent_Unit_Count	1
83899	Defined_Atom_Stereo_Count	0
61508	Undefined_Atom_Stereo_Count	0
9921	Mono_Isotopic_Weight	261.095377549
54537	Undefined_Bond_Stereo_Count	0
45806	Rotatable_Bond_Count	8
20894	Mono_Isotopic_Weight	157.13274550
11654876	Total_Formal_Charge	0
65432	Defined_Atom_Stereo_Count	0
146681255	Isotope_Atom_Count	0
10407447	Hydrogen_Bond_Acceptor_Count	1
156618033	Undefined_Atom_Stereo_Count	0
7068	Defined_Bond_Stereo_Count	0
157849	Covalent_Unit_Count	1
22645860	Non-hydrogen_Atom_Count	7
5460185	Exact_Mass	298.18791464
59516084	Total_Formal_Charge	0
9963056	Undefined_Atom_Stereo_Count	0
118917438	Exact_Mass	115.063328530
140400	Undefined_Atom_Stereo_Count	0
82916	Exact_Mass	108.093900383
13555	Hydrogen_Bond_Acceptor_Count	0
225710	Total_Formal_Charge	0
91756	Undefined_Atom_Stereo_Count	0
124226575	Undefined_Atom_Stereo_Count	0
2320	Hydrogen_Bond_Acceptor_Count	10
8412	Covalent_Unit_Count	1
23430	Exact_Mass	448.18456586
676328	Rotatable_Bond_Count	6
3032396	Rotatable_Bond_Count	12
66666	Exact_Mass	130.078250319
66016	Total_Formal_Charge	0
9830667	Isotope_Atom_Count	0
74570	Hydrogen_Bond_Donor_Count	1
2723654	TPSA	118
10412535	Rotatable_Bond_Count	15
4831	Defined_Atom_Stereo_Count	0
177085	Undefined_Atom_Stereo_Count	0
3035451	Isotope_Atom_Count	0
25051993	Rotatable_Bond_Count	6
243415	Defined_Bond_Stereo_Count	0
134988089	Undefined_Atom_Stereo_Count	2
57160816	Defined_Bond_Stereo_Count	0
1153439	Structure_Complexity	703
74318	Structure_Complexity	191
6918485	Covalent_Unit_Count	1
11672764	Total_Formal_Charge	0
60196372	Undefined_Bond_Stereo_Count	0
44344734	Covalent_Unit_Count	1
156618034	Isotope_Atom_Count	0
24901349	Covalent_Unit_Count	1
86398	Mono_Isotopic_Weight	248.03973376
2318095	Hydrogen_Bond_Acceptor_Count	3
3414	Mono_Isotopic_Weight	122.94833509
137347969	Defined_Bond_Stereo_Count	0
23665730	Defined_Bond_Stereo_Count	1
5284585	Rotatable_Bond_Count	4
445375	Undefined_Bond_Stereo_Count	0
6297	Defined_Atom_Stereo_Count	0
3552	Hydrogen_Bond_Donor_Count	1
72070	Undefined_Bond_Stereo_Count	0
7436	Isotope_Atom_Count	0
44563145	Exact_Mass	382.19173754
11351021	Defined_Bond_Stereo_Count	0
13654	Structure_Complexity	146
55288363	TPSA	29.1
143122	Hydrogen_Bond_Acceptor_Count	0
16264	Tautomer_Count	1
44630108	Structure_Complexity	270
1043	Exact_Mass	132.043596145
824	Isotope_Atom_Count	0
5281873	Hydrogen_Bond_Acceptor_Count	7
101921	Undefined_Atom_Stereo_Count	0
64666310	Non-hydrogen_Atom_Count	8
16049769	TPSA	110
5318039	Rotatable_Bond_Count	10
58881	Rotatable_Bond_Count	6
9863	Covalent_Unit_Count	1
57191557	Molecular_Weight	115.09
49855683	Undefined_Atom_Stereo_Count	0
4026	Rotatable_Bond_Count	9
4649906	Hydrogen_Bond_Donor_Count	0
6921840	Hydrogen_Bond_Acceptor_Count	3
133662562	Structure_Complexity	151
107428	Molecular_Weight	180.16
501640	Defined_Atom_Stereo_Count	4
11327	XLogP3	4.4
5283387	Rotatable_Bond_Count	15
12460864	Total_Formal_Charge	0
44353367	Mono_Isotopic_Weight	344.0119330
11074	Molecular_Weight	161.16
155817681	Rotatable_Bond_Count	1
14679813	Molecular_Weight	645.8
68401	Hydrogen_Bond_Donor_Count	1
15810462	Total_Formal_Charge	0
163050684	TPSA	57.2
50515	Undefined_Atom_Stereo_Count	0
6918546	Hydrogen_Bond_Acceptor_Count	12
118280245	Defined_Bond_Stereo_Count	0
10176589	Defined_Atom_Stereo_Count	1
44266486	Non-hydrogen_Atom_Count	21
10709065	Undefined_Bond_Stereo_Count	0
18204	Mono_Isotopic_Weight	160.157563266
44593340	Undefined_Bond_Stereo_Count	0
23564147	Total_Formal_Charge	0
9869218	Mono_Isotopic_Weight	467.1247985
548671	Hydrogen_Bond_Acceptor_Count	1
11263485	TPSA	3.2
2734122	TPSA	52.5
162990680	Hydrogen_Bond_Donor_Count	7
128563	Molecular_Weight	432.5
362	Hydrogen_Bond_Donor_Count	2
12215992	Total_Formal_Charge	0
15438	Covalent_Unit_Count	1
4169	Structure_Complexity	285
15086461	Exact_Mass	108.068748264
6732	Exact_Mass	230.094294304
9029	Isotope_Atom_Count	0
90488850	Non-hydrogen_Atom_Count	36
13235	Molecular_Weight	180.24
17179	Hydrogen_Bond_Donor_Count	0
136325	Total_Formal_Charge	0
4456	Undefined_Atom_Stereo_Count	0
55290159	Rotatable_Bond_Count	3
1712	Defined_Bond_Stereo_Count	0
68678	Tautomer_Count	3
66793	XLogP3	1.9
5932	Undefined_Bond_Stereo_Count	0
11777	Isotope_Atom_Count	0
118499237	TPSA	43.4
50918929	Hydrogen_Bond_Donor_Count	0
25167777	Molecular_Weight	505.5
13356397	Structure_Complexity	101
6433154	TPSA	43.4
9120	Covalent_Unit_Count	1
54602348	Rotatable_Bond_Count	0
11116296	Undefined_Atom_Stereo_Count	2
318158	XLogP3-AA	1
8371	Isotope_Atom_Count	0
77596	Molecular_Weight	100.12
4712721	Hydrogen_Bond_Acceptor_Count	3
263076	Covalent_Unit_Count	1
5288319	Molecular_Weight	157.25
101611446	Hydrogen_Bond_Acceptor_Count	0
77531	Hydrogen_Bond_Donor_Count	0
62751	Hydrogen_Bond_Donor_Count	0
14552708	Non-hydrogen_Atom_Count	17
69347575	Isotope_Atom_Count	0
20872204	Hydrogen_Bond_Acceptor_Count	4
23663985	Exact_Mass	528.13897520
73182	Tautomer_Count	1
88957	Total_Formal_Charge	0
66598	Hydrogen_Bond_Acceptor_Count	2
9916	Hydrogen_Bond_Acceptor_Count	3
1240	Tautomer_Count	9
14794987	Rotatable_Bond_Count	1
25001849	Hydrogen_Bond_Acceptor_Count	9
87527569	Hydrogen_Bond_Acceptor_Count	4
12720	Structure_Complexity	51.7
39507	Total_Formal_Charge	0
33166	Isotope_Atom_Count	0
136873	Defined_Atom_Stereo_Count	0
12621600	Exact_Mass	70.041864811
13975586	Defined_Atom_Stereo_Count	0
7247	Covalent_Unit_Count	1
16047027	TPSA	174
18608283	Total_Formal_Charge	0
53411143	XLogP3-AA	6.2
3078519	Rotatable_Bond_Count	2
9348	Undefined_Atom_Stereo_Count	0
3057	Undefined_Bond_Stereo_Count	0
2417	Isotope_Atom_Count	0
124744577	Isotope_Atom_Count	0
86010	Hydrogen_Bond_Donor_Count	0
59295974	Isotope_Atom_Count	0
43006	TPSA	89.7
61305	Total_Formal_Charge	0
54682651	Hydrogen_Bond_Donor_Count	1
246571	Hydrogen_Bond_Donor_Count	0
12296	Undefined_Bond_Stereo_Count	0
2802	Structure_Complexity	491
593919	XLogP3-AA	1.7
160883	Mono_Isotopic_Weight	360.21748344
96393	Exact_Mass	126.079312947
82953	Undefined_Bond_Stereo_Count	0
11398092	Non-hydrogen_Atom_Count	35
15900	Defined_Bond_Stereo_Count	0
24956	Hydrogen_Bond_Acceptor_Count	0
26859	Undefined_Atom_Stereo_Count	1
407038	Hydrogen_Bond_Acceptor_Count	1
79088	Undefined_Atom_Stereo_Count	0
143162854	Exact_Mass	110.084398327
118087148	Undefined_Atom_Stereo_Count	2
16399850	Mono_Isotopic_Weight	284.16237386
762556	Defined_Bond_Stereo_Count	0
72502326	Undefined_Atom_Stereo_Count	1
3180466	Total_Formal_Charge	0
10039361	XLogP3-AA	1.2
12814873	Structure_Complexity	415
90685529	Defined_Bond_Stereo_Count	0
59009	Isotope_Atom_Count	0
14069226	Molecular_Weight	104.11
54144657	Defined_Bond_Stereo_Count	0
11349789	Undefined_Atom_Stereo_Count	0
16739650	Structure_Complexity	499
19101060	Defined_Bond_Stereo_Count	0
70690019	Undefined_Bond_Stereo_Count	0
188219	Hydrogen_Bond_Acceptor_Count	16
5280633	Undefined_Bond_Stereo_Count	0
703965	Covalent_Unit_Count	1
91635	Total_Formal_Charge	0
413525	Mono_Isotopic_Weight	286.1236763
20587	Rotatable_Bond_Count	5
65445	Undefined_Bond_Stereo_Count	0
142914812	Structure_Complexity	70.5
102089288	Non-hydrogen_Atom_Count	12
62066	Rotatable_Bond_Count	5
1645	Rotatable_Bond_Count	1
6344	Hydrogen_Bond_Acceptor_Count	0
5523	Non-hydrogen_Atom_Count	19
475320	Defined_Atom_Stereo_Count	2
5310969	Undefined_Bond_Stereo_Count	0
129635186	Covalent_Unit_Count	5
557495	Mono_Isotopic_Weight	100.052429494
6815	Isotope_Atom_Count	0
17238	Non-hydrogen_Atom_Count	7
705935	Isotope_Atom_Count	0
124918602	Non-hydrogen_Atom_Count	25
4235600	TPSA	52
7915	Exact_Mass	102.068079557
250096	Isotope_Atom_Count	0
92140	Hydrogen_Bond_Donor_Count	1
47357	Hydrogen_Bond_Acceptor_Count	4
82650923	Hydrogen_Bond_Donor_Count	0
13894862	Hydrogen_Bond_Donor_Count	2
714222	Non-hydrogen_Atom_Count	25
29179	Structure_Complexity	50.3
119307	Structure_Complexity	1070
131676243	Isotope_Atom_Count	0
57390796	Defined_Atom_Stereo_Count	3
137274216	Hydrogen_Bond_Donor_Count	5
95542	Structure_Complexity	95
180559	Molecular_Weight	266.34
22000495	Molecular_Weight	101.10
7582	Hydrogen_Bond_Donor_Count	1
522105	Defined_Bond_Stereo_Count	0
2014	Exact_Mass	288.0777887
34	Undefined_Atom_Stereo_Count	0
11412346	Molecular_Weight	97.16
1794427	Structure_Complexity	534
23664617	Covalent_Unit_Count	2
84081492	Exact_Mass	114.104465066
68009	Defined_Atom_Stereo_Count	0
87322	Covalent_Unit_Count	1
5311211	Covalent_Unit_Count	1
68663	Rotatable_Bond_Count	5
439298	Defined_Atom_Stereo_Count	12
126961335	Undefined_Atom_Stereo_Count	0
69282	Mono_Isotopic_Weight	246.07145086
10414810	XLogP3-AA	4
30137	Isotope_Atom_Count	0
49107	Molecular_Weight	372.3
13643838	Non-hydrogen_Atom_Count	8
448503	Hydrogen_Bond_Acceptor_Count	1
60464	Undefined_Atom_Stereo_Count	0
197856	Defined_Bond_Stereo_Count	0
93680	Defined_Atom_Stereo_Count	0
50905007	Defined_Bond_Stereo_Count	0
72068	Tautomer_Count	1
77245	Total_Formal_Charge	0
106228050	Exact_Mass	111.068413911
61660	Tautomer_Count	1
10937607	Covalent_Unit_Count	1
92781	XLogP3-AA	1
2062246	Non-hydrogen_Atom_Count	21
3034012	Molecular_Weight	274.5
140363414	Non-hydrogen_Atom_Count	7
12408	Structure_Complexity	218
153305234	Defined_Bond_Stereo_Count	0
68182	Molecular_Weight	128.09
9464	Mono_Isotopic_Weight	203.074642105
2734172	Molecular_Weight	199.72
3641	Structure_Complexity	786
9570438	Defined_Atom_Stereo_Count	0
7911	Exact_Mass	102.042927438
10046647	Exact_Mass	401.2233903
155895288	Isotope_Atom_Count	0
5353831	Structure_Complexity	349
535823	Hydrogen_Bond_Donor_Count	0
13483371	Defined_Atom_Stereo_Count	0
86677009	Undefined_Bond_Stereo_Count	0
36879	Exact_Mass	190.07759887
70687322	Total_Formal_Charge	0
16600	Undefined_Bond_Stereo_Count	0
5284543	TPSA	41.9
5326713	Hydrogen_Bond_Donor_Count	0
22379495	Hydrogen_Bond_Acceptor_Count	2
40473404	Rotatable_Bond_Count	2
135398619	Hydrogen_Bond_Donor_Count	7
3033928	Undefined_Atom_Stereo_Count	0
19928662	Hydrogen_Bond_Donor_Count	1
154909	Exact_Mass	84.057514874
216247	Isotope_Atom_Count	0
656804	Exact_Mass	460.20971797
19127	Defined_Atom_Stereo_Count	0
40460	Tautomer_Count	5
60196284	Defined_Atom_Stereo_Count	12
441032	Defined_Atom_Stereo_Count	4
7026090	Hydrogen_Bond_Donor_Count	0
123336	Structure_Complexity	51.5
135391044	Undefined_Atom_Stereo_Count	0
6474640	Defined_Atom_Stereo_Count	4
57522038	Non-hydrogen_Atom_Count	27
11716665	Hydrogen_Bond_Donor_Count	1
54265	Covalent_Unit_Count	1
66828839	Total_Formal_Charge	0
445226	Hydrogen_Bond_Acceptor_Count	6
9390	Defined_Bond_Stereo_Count	0
54685734	Mono_Isotopic_Weight	444.15326573
68023775	Rotatable_Bond_Count	0
44418576	Undefined_Atom_Stereo_Count	0
8906	Structure_Complexity	221
85145	Rotatable_Bond_Count	16
83864777	Rotatable_Bond_Count	0
16109396	Molecular_Weight	356.4
9048	TPSA	80
84308	Non-hydrogen_Atom_Count	6
86821	Structure_Complexity	634
10427712	Defined_Atom_Stereo_Count	0
518718	Undefined_Atom_Stereo_Count	0
12623599	Rotatable_Bond_Count	1
516644	TPSA	30.3
57401684	Defined_Atom_Stereo_Count	0
416960	Undefined_Atom_Stereo_Count	1
10109058	Molecular_Weight	358.5
49863419	Exact_Mass	764.14247802
78014	Defined_Bond_Stereo_Count	0
705228	XLogP3-AA	3.4
60155274	Defined_Atom_Stereo_Count	1
52598	Mono_Isotopic_Weight	372.15862589
137207	Isotope_Atom_Count	0
91945062	Covalent_Unit_Count	1
135398742	Rotatable_Bond_Count	8
82170	Molecular_Weight	182.17
9942725	Mono_Isotopic_Weight	232.10233402
44310303	Undefined_Atom_Stereo_Count	0
7520	Exact_Mass	124.03467143
135413546	Molecular_Weight	324.13
50989726	Rotatable_Bond_Count	0
101437085	Mono_Isotopic_Weight	489.15256851
71395877	XLogP3-AA	2.2
36188	TPSA	0
126514	XLogP3-AA	3
13200	Exact_Mass	108.057514874
4268635	Defined_Bond_Stereo_Count	0
59295925	Undefined_Bond_Stereo_Count	0
23117804	Undefined_Atom_Stereo_Count	1
50888	Non-hydrogen_Atom_Count	24
55285775	Rotatable_Bond_Count	1
134497	Defined_Bond_Stereo_Count	0
81391	Defined_Atom_Stereo_Count	0
737157	Hydrogen_Bond_Donor_Count	1
74262	Hydrogen_Bond_Donor_Count	0
7015680	Undefined_Atom_Stereo_Count	0
157641	Undefined_Bond_Stereo_Count	0
5748152	Exact_Mass	324.183778013
25272039	Covalent_Unit_Count	1
46884664	Isotope_Atom_Count	0
22770772	Mono_Isotopic_Weight	324.183778013
105101	Hydrogen_Bond_Donor_Count	1
12697524	Exact_Mass	370.14163842
134689739	Undefined_Atom_Stereo_Count	0
6712980	Covalent_Unit_Count	1
24883444	Total_Formal_Charge	0
21321822	Defined_Atom_Stereo_Count	0
53759539	Mono_Isotopic_Weight	270.08652358
5702238	Hydrogen_Bond_Donor_Count	0
5284447	Non-hydrogen_Atom_Count	47
20297542	TPSA	38.9
222199	Non-hydrogen_Atom_Count	14
252499	XLogP3-AA	2.5
15639205	Hydrogen_Bond_Acceptor_Count	2
94232	Non-hydrogen_Atom_Count	11
71600846	Undefined_Atom_Stereo_Count	0
191519	Covalent_Unit_Count	1
13140652	Defined_Bond_Stereo_Count	0
70719	Undefined_Bond_Stereo_Count	0
18689	Undefined_Bond_Stereo_Count	0
18950548	Defined_Atom_Stereo_Count	0
89748954	Molecular_Weight	114.19
75675	Defined_Bond_Stereo_Count	0
5462306	XLogP3-AA	1.9
132285118	Rotatable_Bond_Count	12
89456730	Hydrogen_Bond_Acceptor_Count	2
10267	Undefined_Bond_Stereo_Count	0
637668	Mono_Isotopic_Weight	178.062994177
5020	Undefined_Bond_Stereo_Count	0
71306415	TPSA	210
39628	Tautomer_Count	1
11182588	Defined_Bond_Stereo_Count	0
57590	Exact_Mass	650.7761
74736	Total_Formal_Charge	0
2837669	Structure_Complexity	261
153	Exact_Mass	295.05693679
10271170	Total_Formal_Charge	0
11434927	Undefined_Atom_Stereo_Count	0
116842112	XLogP3-AA	1.6
87455238	Undefined_Bond_Stereo_Count	0
75919	Molecular_Weight	122.17
102399	Defined_Bond_Stereo_Count	0
612684	Exact_Mass	218.03275668
25072736	Total_Formal_Charge	0
23676735	Defined_Atom_Stereo_Count	0
5287596	Non-hydrogen_Atom_Count	31
15180	Non-hydrogen_Atom_Count	17
136055781	Covalent_Unit_Count	1
130028324	Defined_Bond_Stereo_Count	0
5483847	Defined_Atom_Stereo_Count	1
160615	Rotatable_Bond_Count	0
66863	Hydrogen_Bond_Acceptor_Count	6
120507	Undefined_Bond_Stereo_Count	0
14147082	Defined_Bond_Stereo_Count	0
64950	Undefined_Bond_Stereo_Count	0
14268486	Non-hydrogen_Atom_Count	8
89602862	Defined_Bond_Stereo_Count	0
14256301	Undefined_Atom_Stereo_Count	0
123919	Structure_Complexity	163
54925	Molecular_Weight	300.26
14026391	Covalent_Unit_Count	1
68601	Undefined_Bond_Stereo_Count	0
12302651	Defined_Bond_Stereo_Count	0
136120826	Non-hydrogen_Atom_Count	7
23545756	Structure_Complexity	78.1
6368	Total_Formal_Charge	0
5437	Tautomer_Count	5
24858870	Structure_Complexity	668
91012209	Defined_Bond_Stereo_Count	0
13827562	Mono_Isotopic_Weight	206.167065321
67818	Mono_Isotopic_Weight	363.9768954
14244	Defined_Bond_Stereo_Count	0
6438372	Undefined_Bond_Stereo_Count	0
16726631	Hydrogen_Bond_Acceptor_Count	0
20377046	Covalent_Unit_Count	1
11078	Total_Formal_Charge	0
72652	XLogP3-AA	3.2
125564	Rotatable_Bond_Count	3
119057560	Hydrogen_Bond_Donor_Count	5
158815	Molecular_Weight	165.23
23663974	Hydrogen_Bond_Donor_Count	3
49830590	Rotatable_Bond_Count	6
122844	Exact_Mass	454.34469533
69763756	Covalent_Unit_Count	1
10291132	Undefined_Atom_Stereo_Count	0
165600653	Total_Formal_Charge	0
18733	Total_Formal_Charge	1
89240655	Hydrogen_Bond_Acceptor_Count	2
25014511	Defined_Bond_Stereo_Count	0
46936821	TPSA	228
45359047	Defined_Atom_Stereo_Count	6
20255128	Hydrogen_Bond_Acceptor_Count	1
67950444	Hydrogen_Bond_Donor_Count	5
8177	XLogP3	0.6
70696694	Undefined_Atom_Stereo_Count	0
138231	Rotatable_Bond_Count	2
54370822	Defined_Bond_Stereo_Count	0
135455401	Isotope_Atom_Count	0
9081	TPSA	63.3
65940	Total_Formal_Charge	0
60196440	Isotope_Atom_Count	0
88210	Undefined_Atom_Stereo_Count	0
21679450	Defined_Bond_Stereo_Count	0
53967	Covalent_Unit_Count	1
11520894	Structure_Complexity	1940
58376229	Mono_Isotopic_Weight	102.068079557
453307	Molecular_Weight	254.29
91410652	Exact_Mass	114.068079557
11971580	Covalent_Unit_Count	1
98527	Hydrogen_Bond_Donor_Count	1
2733141	Defined_Atom_Stereo_Count	0
5283377	Hydrogen_Bond_Acceptor_Count	1
159871	TPSA	83.6
136451	Mono_Isotopic_Weight	159.125928785
7527	Isotope_Atom_Count	0
153834924	TPSA	47.6
133886	Tautomer_Count	7
18847	Undefined_Bond_Stereo_Count	0
54086435	Hydrogen_Bond_Donor_Count	4
6992111	Hydrogen_Bond_Donor_Count	1
5317319	Defined_Bond_Stereo_Count	1
59864	Hydrogen_Bond_Donor_Count	0
129831313	TPSA	81.3
5328760	Rotatable_Bond_Count	3
7183	Exact_Mass	265.16779360
656641	Structure_Complexity	431
2154	Defined_Bond_Stereo_Count	0
1858	Total_Formal_Charge	0
71270	Molecular_Weight	335.4
37933	Defined_Bond_Stereo_Count	0
3973230	Hydrogen_Bond_Acceptor_Count	2
23265	XLogP3	3.7
14490	Mono_Isotopic_Weight	132.078644241
3347	Hydrogen_Bond_Acceptor_Count	4
16551	Exact_Mass	154.0316058
45749	Exact_Mass	1333.67002241
90990	Defined_Bond_Stereo_Count	0
5510	Exact_Mass	307.10308534
65036	Total_Formal_Charge	0
78950	Undefined_Bond_Stereo_Count	0
52931256	Covalent_Unit_Count	1
2723942	TPSA	113
123630	Isotope_Atom_Count	0
21517	Molecular_Weight	469.7
443046	Covalent_Unit_Count	1
42040	Total_Formal_Charge	0
71518	Total_Formal_Charge	0
14743	Undefined_Atom_Stereo_Count	0
81325	Hydrogen_Bond_Acceptor_Count	3
19648	Isotope_Atom_Count	0
4423	Hydrogen_Bond_Donor_Count	2
95542	Total_Formal_Charge	0
957	Exact_Mass	130.135765193
670	Defined_Atom_Stereo_Count	0
85728	Exact_Mass	162.068079557
44134885	Exact_Mass	373.06243472
57491	Tautomer_Count	16
7683	Undefined_Atom_Stereo_Count	0
11779772	Covalent_Unit_Count	2
20276	TPSA	0
59330719	Defined_Atom_Stereo_Count	0
143856	Defined_Bond_Stereo_Count	0
5287673	Hydrogen_Bond_Donor_Count	3
15190	Non-hydrogen_Atom_Count	32
145971	XLogP3	0.3
6441388	Tautomer_Count	1
89408	Total_Formal_Charge	0
5277135	Rotatable_Bond_Count	7
360901	Structure_Complexity	988
96490	Covalent_Unit_Count	1
418745	Molecular_Weight	134.14
53413800	Isotope_Atom_Count	0
10311306	TPSA	50.4
8858	Molecular_Weight	98.14
57035514	Mono_Isotopic_Weight	112.063662883
57501504	Hydrogen_Bond_Acceptor_Count	14
56962215	Total_Formal_Charge	0
5283313	Mono_Isotopic_Weight	116.083729621
52940549	Undefined_Atom_Stereo_Count	0
565884	Molecular_Weight	309.22
10355	Defined_Bond_Stereo_Count	0
122394428	Non-hydrogen_Atom_Count	31
246511	Defined_Bond_Stereo_Count	0
165746	Covalent_Unit_Count	1
74030053	Structure_Complexity	1670
33309	Exact_Mass	302.08374688
84759	Mono_Isotopic_Weight	145.063997236
44349142	Total_Formal_Charge	0
95102	Mono_Isotopic_Weight	89.084063974
60208760	Defined_Bond_Stereo_Count	0
6257	Molecular_Weight	223.22
16240279	Undefined_Atom_Stereo_Count	0
73584	Rotatable_Bond_Count	8
18422690	Defined_Atom_Stereo_Count	0
45270144	Total_Formal_Charge	0
6433198	Rotatable_Bond_Count	16
214273	Structure_Complexity	64.7
667466	Structure_Complexity	381
125017	Defined_Atom_Stereo_Count	0
128882	Mono_Isotopic_Weight	506.99574658
62328	Undefined_Atom_Stereo_Count	1
70128954	Undefined_Bond_Stereo_Count	0
21578704	Undefined_Atom_Stereo_Count	0
51585	TPSA	62.6
91438571	XLogP3-AA	1.5
86295112	Covalent_Unit_Count	1
14147082	Defined_Atom_Stereo_Count	0
66259	Hydrogen_Bond_Acceptor_Count	2
3036864	Hydrogen_Bond_Donor_Count	1
10989520	XLogP3-AA	0.4
23567810	Non-hydrogen_Atom_Count	8
83465	Undefined_Bond_Stereo_Count	1
86266	Total_Formal_Charge	0
148531825	Mono_Isotopic_Weight	100.100048391
7409	Exact_Mass	122.073164938
62309	Defined_Bond_Stereo_Count	0
49869312	Total_Formal_Charge	0
9821174	Covalent_Unit_Count	1
4066093	Non-hydrogen_Atom_Count	8
52941021	Structure_Complexity	593
74068	Isotope_Atom_Count	0
25014810	Covalent_Unit_Count	1
849	Exact_Mass	129.078978594
137224318	Hydrogen_Bond_Acceptor_Count	6
13327309	Molecular_Weight	116.16
5232423	Hydrogen_Bond_Acceptor_Count	3
101744	Total_Formal_Charge	0
46244883	Defined_Bond_Stereo_Count	0
35330	Defined_Bond_Stereo_Count	0
135449331	Hydrogen_Bond_Acceptor_Count	11
71449859	Hydrogen_Bond_Acceptor_Count	8
97860	Structure_Complexity	322
15739357	Defined_Atom_Stereo_Count	0
9923	XLogP3-AA	1.5
3033968	Undefined_Atom_Stereo_Count	0
41109	Isotope_Atom_Count	0
36552	Molecular_Weight	427.5
166775	Total_Formal_Charge	0
250074	Rotatable_Bond_Count	4
579	TPSA	209
11858154	Total_Formal_Charge	0
54686350	Molecular_Weight	241.28
52355	Structure_Complexity	483
144606028	Isotope_Atom_Count	0
64865	Defined_Atom_Stereo_Count	0
40466968	TPSA	121
54585641	Undefined_Atom_Stereo_Count	0
11078	Mono_Isotopic_Weight	330.1710204
13611193	Covalent_Unit_Count	1
138889	Rotatable_Bond_Count	3
7075	Defined_Atom_Stereo_Count	0
99334	Covalent_Unit_Count	1
22123753	Covalent_Unit_Count	1
2624	Defined_Atom_Stereo_Count	0
29359	Undefined_Bond_Stereo_Count	0
9104	Defined_Atom_Stereo_Count	0
216262	Molecular_Weight	399.5
11546620	Structure_Complexity	680
57077963	Molecular_Weight	97.12
26721	Defined_Bond_Stereo_Count	0
6713928	Defined_Bond_Stereo_Count	0
6433082	Rotatable_Bond_Count	10
21389388	Hydrogen_Bond_Acceptor_Count	3
95447	TPSA	40.5
67387401	Rotatable_Bond_Count	0
69333956	Non-hydrogen_Atom_Count	8
84311	Defined_Bond_Stereo_Count	0
3036056	Defined_Atom_Stereo_Count	0
76968809	TPSA	130
535819	Total_Formal_Charge	0
12421092	Hydrogen_Bond_Donor_Count	1
197006	Isotope_Atom_Count	0
83403	Molecular_Weight	200.23
62669683	Defined_Atom_Stereo_Count	0
71587119	Tautomer_Count	1
26362	TPSA	25.8
83596	Hydrogen_Bond_Acceptor_Count	3
15294	Undefined_Atom_Stereo_Count	0
213861	TPSA	9.2
300	Defined_Bond_Stereo_Count	0
76958	Hydrogen_Bond_Donor_Count	1
6419912	Hydrogen_Bond_Acceptor_Count	42
13816	Covalent_Unit_Count	3
20770500	Hydrogen_Bond_Acceptor_Count	1
132939820	Hydrogen_Bond_Donor_Count	5
9960287	Isotope_Atom_Count	0
20929	Tautomer_Count	1
845588	Rotatable_Bond_Count	0
6230	TPSA	37.3
854023	Hydrogen_Bond_Donor_Count	1
7674	Rotatable_Bond_Count	2
122232532	Rotatable_Bond_Count	26
2306	Isotope_Atom_Count	0
62406	Hydrogen_Bond_Donor_Count	1
25137901	Exact_Mass	908.36010511
57865	Total_Formal_Charge	0
29746	Exact_Mass	182.167065321
3080926	Exact_Mass	186.079312947
57429843	Structure_Complexity	133
9935	XLogP3	1.8
90360523	Undefined_Bond_Stereo_Count	0
141010	Defined_Atom_Stereo_Count	0
3294	Hydrogen_Bond_Acceptor_Count	4
142952	Tautomer_Count	1
170317	Non-hydrogen_Atom_Count	23
12774278	Defined_Atom_Stereo_Count	1
11462546	Hydrogen_Bond_Donor_Count	0
68323	Defined_Atom_Stereo_Count	0
55652	Rotatable_Bond_Count	4
73707427	Structure_Complexity	688
105427130	Undefined_Atom_Stereo_Count	0
88226977	Non-hydrogen_Atom_Count	8
9576410	Isotope_Atom_Count	0
9956	Defined_Atom_Stereo_Count	0
131634493	Isotope_Atom_Count	0
1012812	Structure_Complexity	467
16678045	Defined_Bond_Stereo_Count	0
31191	Defined_Bond_Stereo_Count	0
2733660	Hydrogen_Bond_Donor_Count	0
54362500	Defined_Atom_Stereo_Count	0
5491989	Hydrogen_Bond_Donor_Count	2
169952	Total_Formal_Charge	0
53864533	Undefined_Bond_Stereo_Count	0
638081	Rotatable_Bond_Count	0
768325	Structure_Complexity	269
5359272	Undefined_Bond_Stereo_Count	0
68337933	Undefined_Atom_Stereo_Count	1
8631	Exact_Mass	389.82499
4277439	Defined_Bond_Stereo_Count	0
16760063	XLogP3-AA	5.9
129864969	Covalent_Unit_Count	1
4196	Hydrogen_Bond_Donor_Count	1
147895	Defined_Bond_Stereo_Count	0
140809	Non-hydrogen_Atom_Count	7
91810489	Total_Formal_Charge	0
58190643	Defined_Atom_Stereo_Count	0
93833	Molecular_Weight	515.8
23277878	Defined_Bond_Stereo_Count	0
16900	Rotatable_Bond_Count	5
182339	Hydrogen_Bond_Donor_Count	1
60824	Non-hydrogen_Atom_Count	24
2793	Hydrogen_Bond_Donor_Count	1
11289630	Total_Formal_Charge	0
102503760	Covalent_Unit_Count	1
34549	Total_Formal_Charge	0
12686	Undefined_Bond_Stereo_Count	0
183809	Undefined_Bond_Stereo_Count	0
57104	TPSA	104
20848883	Mono_Isotopic_Weight	561.0801915
16123056	Mono_Isotopic_Weight	270.12290909
53297469	Covalent_Unit_Count	8
19788587	Total_Formal_Charge	0
88524529	Undefined_Bond_Stereo_Count	0
11574638	TPSA	53.1
14282994	Molecular_Weight	100.12
16212801	Total_Formal_Charge	0
67294	TPSA	110
9847721	Mono_Isotopic_Weight	474.19031994
156395	Total_Formal_Charge	0
53661221	Molecular_Weight	99.17
8570	Defined_Bond_Stereo_Count	0
23695982	Rotatable_Bond_Count	1
118210659	Rotatable_Bond_Count	0
7097	Undefined_Atom_Stereo_Count	0
29681	Defined_Bond_Stereo_Count	0
798232	Undefined_Atom_Stereo_Count	0
138375814	Structure_Complexity	1220
683563	Total_Formal_Charge	0
1243	Isotope_Atom_Count	0
22157549	XLogP3-AA	6.7
86088606	Isotope_Atom_Count	0
5282494	Structure_Complexity	832
8629	Undefined_Atom_Stereo_Count	0
135544014	Covalent_Unit_Count	1
72214	Mono_Isotopic_Weight	251.10183929
45117195	Isotope_Atom_Count	0
13017912	Isotope_Atom_Count	0
413511	Rotatable_Bond_Count	12
89590	Rotatable_Bond_Count	3
87329230	Hydrogen_Bond_Donor_Count	1
131057	Molecular_Weight	241.29
135977933	Covalent_Unit_Count	1
49789564	Defined_Atom_Stereo_Count	0
4005	Rotatable_Bond_Count	5
72207311	Structure_Complexity	66.5
176096	XLogP3	2.7
9100	Hydrogen_Bond_Donor_Count	0
65985700	Non-hydrogen_Atom_Count	8
135415867	Hydrogen_Bond_Donor_Count	2
4154719	XLogP3-AA	0.2
131411054	XLogP3-AA	1.2
73603	Undefined_Atom_Stereo_Count	1
31227	Mono_Isotopic_Weight	178.135765193
14552327	TPSA	20.2
209257	Structure_Complexity	111
31268	Molecular_Weight	71.12
10026007	Covalent_Unit_Count	2
13643838	Undefined_Atom_Stereo_Count	1
97032	XLogP3	5.4
51039095	Structure_Complexity	622
20555317	TPSA	49.5
45085022	Hydrogen_Bond_Donor_Count	1
71530	Exact_Mass	332.08613
3086677	Undefined_Bond_Stereo_Count	0
60196440	Hydrogen_Bond_Donor_Count	2
44152553	XLogP3-AA	6.4
56962313	Non-hydrogen_Atom_Count	33
60199965	Molecular_Weight	476.5
141850000	Hydrogen_Bond_Acceptor_Count	1
230976	Molecular_Weight	193.11
2795	Covalent_Unit_Count	1
439744	Mono_Isotopic_Weight	306.97054
6552009	Hydrogen_Bond_Donor_Count	1
26139	Defined_Atom_Stereo_Count	0
11102	Rotatable_Bond_Count	22
23683747	TPSA	87.2
7219	Hydrogen_Bond_Donor_Count	0
54587229	Non-hydrogen_Atom_Count	28
13165569	XLogP3-AA	0.5
3433	Structure_Complexity	402
5154691	Defined_Bond_Stereo_Count	0
4740	Hydrogen_Bond_Acceptor_Count	4
6946	Structure_Complexity	132
67629	Hydrogen_Bond_Acceptor_Count	1
7537	Undefined_Bond_Stereo_Count	0
62299	Defined_Atom_Stereo_Count	0
2774635	TPSA	12.9
46437	Undefined_Atom_Stereo_Count	0
3676	Rotatable_Bond_Count	5
162918376	Undefined_Atom_Stereo_Count	0
12622744	Hydrogen_Bond_Donor_Count	0
81466	Molecular_Weight	144.17
24360	XLogP3-AA	1
3085877	Structure_Complexity	227
671761	Molecular_Weight	265.21
60745	Hydrogen_Bond_Donor_Count	0
3058	Mono_Isotopic_Weight	478.25308057
6143	Covalent_Unit_Count	1
5281764	XLogP3-AA	2
631271	Structure_Complexity	426
2734181	Isotope_Atom_Count	0
44324	Tautomer_Count	1
20710	XLogP3	1.3
66616	Defined_Bond_Stereo_Count	0
11970	Mono_Isotopic_Weight	152.047344113
848	Hydrogen_Bond_Acceptor_Count	4
19309	Defined_Bond_Stereo_Count	0
52427	Hydrogen_Bond_Donor_Count	0
140814	Undefined_Bond_Stereo_Count	0
145937	Covalent_Unit_Count	1
89708952	Exact_Mass	113.047678466
88482362	Covalent_Unit_Count	1
14800	Mono_Isotopic_Weight	110.90730918
55291451	Total_Formal_Charge	0
517922	Total_Formal_Charge	0
14362	Structure_Complexity	372
3041256	Undefined_Atom_Stereo_Count	0
139254081	Defined_Atom_Stereo_Count	6
380929	TPSA	109
7989	Rotatable_Bond_Count	3
1527	Isotope_Atom_Count	0
448014	Structure_Complexity	371
40	Exact_Mass	164.06847348
9050	Structure_Complexity	652
102738	Total_Formal_Charge	0
12110	Defined_Atom_Stereo_Count	0
8863	Total_Formal_Charge	0
33500	Undefined_Atom_Stereo_Count	0
20633892	Exact_Mass	112.088815002
217842	Undefined_Bond_Stereo_Count	0
54340209	Undefined_Bond_Stereo_Count	0
30690	Structure_Complexity	527
9483	Undefined_Atom_Stereo_Count	0
4754	Hydrogen_Bond_Donor_Count	1
129629095	XLogP3	4.2
54316592	Mono_Isotopic_Weight	113.084063974
403647	XLogP3-AA	4.4
30874	Exact_Mass	180.187800766
11274968	Hydrogen_Bond_Donor_Count	0
2649	Hydrogen_Bond_Donor_Count	4
444679	TPSA	20.2
8217	Undefined_Bond_Stereo_Count	0
65039	Mono_Isotopic_Weight	378.12494298
17754089	Isotope_Atom_Count	0
8813	Hydrogen_Bond_Donor_Count	8
84647681	TPSA	38.3
22132230	Exact_Mass	102.079312947
704232	Defined_Atom_Stereo_Count	0
17749735	Structure_Complexity	507
24755478	Exact_Mass	434.22776808
71342117	Undefined_Bond_Stereo_Count	0
5527	Isotope_Atom_Count	0
91122567	TPSA	18.5
38878	Undefined_Bond_Stereo_Count	0
14706	Structure_Complexity	432
124870718	XLogP3-AA	4.1
73124	Rotatable_Bond_Count	3
44293249	TPSA	61
6937	Exact_Mass	164.120115130
129318280	Hydrogen_Bond_Acceptor_Count	5
10134976	XLogP3-AA	3.9
69986	Mono_Isotopic_Weight	139.026943022
4424	Non-hydrogen_Atom_Count	48
50317	Non-hydrogen_Atom_Count	22
12321786	Mono_Isotopic_Weight	211.136099547
76883	Rotatable_Bond_Count	2
75057	Defined_Bond_Stereo_Count	0
76955630	Covalent_Unit_Count	1
134694664	Non-hydrogen_Atom_Count	30
53484567	Non-hydrogen_Atom_Count	8
74619	Total_Formal_Charge	0
164075219	Hydrogen_Bond_Acceptor_Count	0
23866	Total_Formal_Charge	0
11101	Undefined_Bond_Stereo_Count	0
10357919	TPSA	111
13804	Molecular_Weight	488.32
2760115	Covalent_Unit_Count	1
69288	Defined_Atom_Stereo_Count	0
91165609	Total_Formal_Charge	0
75821	Isotope_Atom_Count	0
57621	Molecular_Weight	403.9
10442928	Mono_Isotopic_Weight	204.187800766
123178849	Total_Formal_Charge	0
9547096	Hydrogen_Bond_Donor_Count	3
17783223	Defined_Bond_Stereo_Count	0
89229710	Mono_Isotopic_Weight	113.058911855
87220078	Structure_Complexity	121
20633892	Non-hydrogen_Atom_Count	8
38031	Non-hydrogen_Atom_Count	15
853433	Hydrogen_Bond_Donor_Count	1
9800555	TPSA	97.1
6451155	Tautomer_Count	2
5464190	Undefined_Atom_Stereo_Count	0
45791267	Defined_Bond_Stereo_Count	0
88396	Hydrogen_Bond_Acceptor_Count	3
134693165	Exact_Mass	742.23202911
53665290	Exact_Mass	108.043596145
26975	Rotatable_Bond_Count	4
72258	Molecular_Weight	163.17
321710	Undefined_Atom_Stereo_Count	0
7785	Covalent_Unit_Count	1
2735107	Defined_Atom_Stereo_Count	0
53954226	Covalent_Unit_Count	1
5319765	Structure_Complexity	30.1
6626	Structure_Complexity	302
5281897	Isotope_Atom_Count	0
129864959	Undefined_Atom_Stereo_Count	1
16212939	Rotatable_Bond_Count	10
13695806	Total_Formal_Charge	0
30493	Total_Formal_Charge	0
10545	Molecular_Weight	168.23
119090957	Undefined_Atom_Stereo_Count	0
122706485	Undefined_Bond_Stereo_Count	0
754219	Undefined_Atom_Stereo_Count	0
26690	Exact_Mass	199.193614421
527511	TPSA	4.9
10095612	Structure_Complexity	814
8972	Hydrogen_Bond_Donor_Count	1
8788	Undefined_Bond_Stereo_Count	0
984396	TPSA	102
5486204	Defined_Atom_Stereo_Count	0
129681809	Defined_Atom_Stereo_Count	0
15983809	Exact_Mass	515.11682
135121698	Molecular_Weight	104.07
81146	Undefined_Atom_Stereo_Count	0
79154	Structure_Complexity	11.6
393601	Rotatable_Bond_Count	7
53584	Rotatable_Bond_Count	8
197942	Non-hydrogen_Atom_Count	13
10197660	Defined_Atom_Stereo_Count	0
10772936	Exact_Mass	97.089149355
183809	Mono_Isotopic_Weight	368.16371127
4501	Covalent_Unit_Count	1
87592747	Undefined_Atom_Stereo_Count	1
117186636	Rotatable_Bond_Count	1
53346589	Undefined_Atom_Stereo_Count	0
444627	Molecular_Weight	1118.8
6356	Structure_Complexity	8
439504	Mono_Isotopic_Weight	915.51914999
154734173	Undefined_Bond_Stereo_Count	0
12519677	Hydrogen_Bond_Donor_Count	2
33637	Hydrogen_Bond_Donor_Count	0
6966	Defined_Bond_Stereo_Count	0
6423	Mono_Isotopic_Weight	162.899461
24978536	Undefined_Atom_Stereo_Count	0
5366266	Hydrogen_Bond_Donor_Count	1
78225435	Isotope_Atom_Count	0
5273759	Rotatable_Bond_Count	6
3878721	TPSA	176
192794	Exact_Mass	103.063328530
67542	Isotope_Atom_Count	0
54712717	Structure_Complexity	464
5492898	Covalent_Unit_Count	1
22768309	Hydrogen_Bond_Acceptor_Count	1
13097	XLogP3	2.8
5426	Structure_Complexity	449
135121972	Molecular_Weight	364.8
10078175	Defined_Atom_Stereo_Count	4
21464101	Molecular_Weight	99.13
44414678	Molecular_Weight	360.4
23221	Non-hydrogen_Atom_Count	16
77533	Structure_Complexity	201
11749517	Molecular_Weight	386.6
7211	Molecular_Weight	146.23
9902908	Isotope_Atom_Count	0
6507	Hydrogen_Bond_Acceptor_Count	7
275196	Defined_Atom_Stereo_Count	2
1550213	Tautomer_Count	1
47635	Exact_Mass	339.13313942
49646	TPSA	17.6
16217238	Isotope_Atom_Count	0
96312	Exact_Mass	297.10731860
128882	Structure_Complexity	794
12240	Undefined_Bond_Stereo_Count	0
133613144	Defined_Atom_Stereo_Count	20
923638	Hydrogen_Bond_Donor_Count	3
18002315	Non-hydrogen_Atom_Count	8
10975416	Hydrogen_Bond_Acceptor_Count	2
138477	Undefined_Atom_Stereo_Count	0
4890	Tautomer_Count	2
135392460	Rotatable_Bond_Count	0
13930075	Exact_Mass	113.084063974
177168	Exact_Mass	133.07389321
53318411	Isotope_Atom_Count	0
61109	Tautomer_Count	1
10994	Total_Formal_Charge	0
96770	Total_Formal_Charge	0
57340110	Undefined_Atom_Stereo_Count	0
17882607	XLogP3-AA	0.6
10661	Rotatable_Bond_Count	0
550942	Undefined_Bond_Stereo_Count	0
58516110	Hydrogen_Bond_Donor_Count	2
12507	Total_Formal_Charge	0
45479278	XLogP3-AA	16
416	Tautomer_Count	2
6420041	Covalent_Unit_Count	4
46204457	Undefined_Bond_Stereo_Count	0
796857	Undefined_Bond_Stereo_Count	0
72627	Hydrogen_Bond_Donor_Count	2
134129158	Total_Formal_Charge	0
2865	Structure_Complexity	1030
87595	Hydrogen_Bond_Acceptor_Count	2
13586	Undefined_Bond_Stereo_Count	0
136500	Covalent_Unit_Count	1
154112533	Defined_Atom_Stereo_Count	0
987	Rotatable_Bond_Count	10
139807	XLogP3-AA	2.2
4196	Covalent_Unit_Count	1
15324722	Structure_Complexity	151
119098214	Exact_Mass	98.073164938
4385787	Hydrogen_Bond_Acceptor_Count	6
5159	Molecular_Weight	1259.4
57470515	Molecular_Weight	115.13
975767	Rotatable_Bond_Count	4
6454737	Tautomer_Count	3
1016	Defined_Bond_Stereo_Count	0
7417	Structure_Complexity	133
69319	Undefined_Atom_Stereo_Count	0
38895	Tautomer_Count	1
156587369	Undefined_Bond_Stereo_Count	0
14308604	Non-hydrogen_Atom_Count	8
57074	XLogP3-AA	4.4
4127	Tautomer_Count	1
12285868	Total_Formal_Charge	0
102856	Covalent_Unit_Count	1
107994	Undefined_Atom_Stereo_Count	0
62334	Tautomer_Count	1
84788	Molecular_Weight	152.09
18370	Exact_Mass	181.03750770
66742	Isotope_Atom_Count	0
17480032	Total_Formal_Charge	0
3366	Total_Formal_Charge	0
23673461	Isotope_Atom_Count	0
70693664	Hydrogen_Bond_Donor_Count	3
2890	Total_Formal_Charge	0
72732	Exact_Mass	242.094294304
89395924	Isotope_Atom_Count	0
975620	Structure_Complexity	202
72929	Mono_Isotopic_Weight	136.063662883
445408	Hydrogen_Bond_Acceptor_Count	6
16219371	Defined_Atom_Stereo_Count	4
22698	Hydrogen_Bond_Acceptor_Count	1
85889	Non-hydrogen_Atom_Count	12
24891700	Molecular_Weight	427.5
18447	Rotatable_Bond_Count	7
76451	Rotatable_Bond_Count	6
53643	Isotope_Atom_Count	0
3178	Isotope_Atom_Count	0
2724411	Defined_Bond_Stereo_Count	0
3082127	XLogP3-AA	2.4
413019	Structure_Complexity	385
93005	Undefined_Atom_Stereo_Count	2
12504793	Total_Formal_Charge	0
124201874	Isotope_Atom_Count	0
171284	Total_Formal_Charge	0
10024	Undefined_Atom_Stereo_Count	0
819109	Structure_Complexity	106
78998	Molecular_Weight	156.10
5280878	Structure_Complexity	706
1369	Molecular_Weight	299.3
40537366	Defined_Atom_Stereo_Count	2
57692074	Hydrogen_Bond_Acceptor_Count	7
68476	Tautomer_Count	3
5284554	Isotope_Atom_Count	0
3035414	Covalent_Unit_Count	1
159812	Undefined_Bond_Stereo_Count	0
21594228	Non-hydrogen_Atom_Count	38
100937012	Rotatable_Bond_Count	0
10350317	Defined_Bond_Stereo_Count	2
963699	Exact_Mass	289.0869564
140650857	Hydrogen_Bond_Donor_Count	1
44373822	Rotatable_Bond_Count	28
3037131	Defined_Atom_Stereo_Count	0
9852176	Defined_Atom_Stereo_Count	2
9985579	Total_Formal_Charge	0
14992	Molecular_Weight	388.2
62705689	Total_Formal_Charge	0
45267632	Structure_Complexity	743
135398646	Hydrogen_Bond_Acceptor_Count	3
144513	Hydrogen_Bond_Donor_Count	0
15551468	Mono_Isotopic_Weight	849.338408
53773588	Undefined_Bond_Stereo_Count	1
5353521	Exact_Mass	459.24210135
5476	Covalent_Unit_Count	1
57714	Undefined_Bond_Stereo_Count	0
90937445	Covalent_Unit_Count	1
11605	Defined_Bond_Stereo_Count	0
6256685	Covalent_Unit_Count	1
76830	Mono_Isotopic_Weight	256.98298323
846942	Defined_Bond_Stereo_Count	0
12275054	Total_Formal_Charge	0
138394156	Undefined_Bond_Stereo_Count	0
541123	Undefined_Bond_Stereo_Count	0
91266152	Exact_Mass	94.078250319
12669677	Non-hydrogen_Atom_Count	24
25094462	Covalent_Unit_Count	1
22168978	Molecular_Weight	103.08
40466858	Molecular_Weight	348.4
12387212	Total_Formal_Charge	0
42239	TPSA	50.6
32117	Defined_Atom_Stereo_Count	0
156320	Rotatable_Bond_Count	9
12238859	Total_Formal_Charge	0
11374	Isotope_Atom_Count	0
65464	Non-hydrogen_Atom_Count	24
44144434	Defined_Atom_Stereo_Count	0
6552009	Covalent_Unit_Count	1
61664	Molecular_Weight	116.18
3035842	Hydrogen_Bond_Acceptor_Count	2
20465494	Undefined_Bond_Stereo_Count	0
45116669	Tautomer_Count	1
10384259	Defined_Atom_Stereo_Count	0
10044	Exact_Mass	100.125200510
5288588	Rotatable_Bond_Count	1
8094	XLogP3	2.5
131845588	Rotatable_Bond_Count	0
129631779	Rotatable_Bond_Count	8
86186	Defined_Bond_Stereo_Count	0
12711588	Undefined_Atom_Stereo_Count	1
9601349	Rotatable_Bond_Count	3
65015	Undefined_Bond_Stereo_Count	0
19190	Defined_Atom_Stereo_Count	0
12104	Structure_Complexity	131
17898	XLogP3	1.2
7402	Mono_Isotopic_Weight	186.03506535
9604654	Covalent_Unit_Count	1
60813	Undefined_Bond_Stereo_Count	0
667448	Structure_Complexity	457
47116597	Isotope_Atom_Count	0
60196372	Mono_Isotopic_Weight	217.977562
11007917	Undefined_Atom_Stereo_Count	0
2585	Defined_Atom_Stereo_Count	0
249266	XLogP3	4.5
54675850	Molecular_Weight	137.11
67950444	TPSA	110
15940571	Hydrogen_Bond_Donor_Count	2
643968	Non-hydrogen_Atom_Count	17
328	Total_Formal_Charge	0
5359277	Total_Formal_Charge	0
135484646	Undefined_Atom_Stereo_Count	0
15548	Molecular_Weight	357.4
6843	Molecular_Weight	294.39
656833	Undefined_Bond_Stereo_Count	0
110968	Total_Formal_Charge	0
2135	XLogP3-AA	1.5
44596198	Hydrogen_Bond_Acceptor_Count	9
11561779	Defined_Atom_Stereo_Count	0
555192	Hydrogen_Bond_Donor_Count	2
5311123	TPSA	138
44395178	Defined_Bond_Stereo_Count	0
95162564	Total_Formal_Charge	0
11400730	Structure_Complexity	89.5
146480	Exact_Mass	148.06703418
46893453	Non-hydrogen_Atom_Count	27
6049	Isotope_Atom_Count	0
546078	Mono_Isotopic_Weight	85.052763847
114880	Defined_Bond_Stereo_Count	0
39145	Structure_Complexity	51.1
24828759	Defined_Bond_Stereo_Count	0
90470563	Hydrogen_Bond_Donor_Count	0
17131	Tautomer_Count	1
18622	Covalent_Unit_Count	1
76771601	Mono_Isotopic_Weight	114.104465066
14528850	Hydrogen_Bond_Donor_Count	1
8271	Rotatable_Bond_Count	2
101010	Structure_Complexity	95.3
429571	Hydrogen_Bond_Acceptor_Count	4
6321411	Non-hydrogen_Atom_Count	30
6433520	Structure_Complexity	385
87927	Hydrogen_Bond_Donor_Count	0
101176453	Rotatable_Bond_Count	15
7559	Defined_Atom_Stereo_Count	0
6539985	Defined_Bond_Stereo_Count	0
20590622	Hydrogen_Bond_Donor_Count	1
15565287	Defined_Atom_Stereo_Count	0
4543	Non-hydrogen_Atom_Count	20
17179	Mono_Isotopic_Weight	332.1583747
365661	Molecular_Weight	503.3
134692189	TPSA	206
11574	Molecular_Weight	96.17
146171122	Isotope_Atom_Count	0
96935	Defined_Atom_Stereo_Count	0
67105	Hydrogen_Bond_Acceptor_Count	2
162918373	Isotope_Atom_Count	0
75987474	Rotatable_Bond_Count	3
20251205	Defined_Atom_Stereo_Count	0
88069	Hydrogen_Bond_Acceptor_Count	3
11737	Total_Formal_Charge	0
264852	Rotatable_Bond_Count	2
55284153	Hydrogen_Bond_Acceptor_Count	3
143355419	Non-hydrogen_Atom_Count	7
69365	Defined_Atom_Stereo_Count	0
4070	Undefined_Atom_Stereo_Count	0
24776445	Defined_Atom_Stereo_Count	0
167	Structure_Complexity	259
129319343	Exact_Mass	952.125200510
2149	Exact_Mass	119.058243149
605283	Hydrogen_Bond_Donor_Count	2
71309905	Defined_Atom_Stereo_Count	4
3083542	XLogP3-AA	7
23615589	Defined_Atom_Stereo_Count	3
3167	TPSA	37.3
80694	Undefined_Bond_Stereo_Count	0
73631	Covalent_Unit_Count	1
9813985	Defined_Bond_Stereo_Count	0
12309464	Total_Formal_Charge	0
10724	Exact_Mass	146.073164938
154196048	Exact_Mass	114.068079557
5986	Undefined_Bond_Stereo_Count	0
85624637	Molecular_Weight	102.13
520148	Tautomer_Count	1
4580	Structure_Complexity	608
494123	Hydrogen_Bond_Acceptor_Count	1
2221	Covalent_Unit_Count	1
23379007	Undefined_Atom_Stereo_Count	2
413544	Molecular_Weight	279.4
87823	Defined_Bond_Stereo_Count	0
71849	Hydrogen_Bond_Acceptor_Count	2
92132533	Isotope_Atom_Count	0
90766	Covalent_Unit_Count	1
63047	XLogP3	3.6
27491	Mono_Isotopic_Weight	162.042927438
20465494	Hydrogen_Bond_Acceptor_Count	2
83444	Exact_Mass	242.123925117
132992789	Defined_Atom_Stereo_Count	0
84693	Defined_Atom_Stereo_Count	0
13677778	Hydrogen_Bond_Acceptor_Count	8
135753908	Hydrogen_Bond_Donor_Count	1
8225	Exact_Mass	384.23005950
80201	Mono_Isotopic_Weight	210.08920892
146018879	Defined_Bond_Stereo_Count	3
158371	Structure_Complexity	1860
86388	Non-hydrogen_Atom_Count	25
852452	Rotatable_Bond_Count	2
9657	Undefined_Atom_Stereo_Count	1
3035850	Mono_Isotopic_Weight	544.01228
15133	Hydrogen_Bond_Donor_Count	2
44629653	Exact_Mass	166.123189134
44305779	Undefined_Bond_Stereo_Count	0
4693	XLogP3-AA	5.3
757435	Exact_Mass	343.1339066
85782230	TPSA	26.3
6278	Isotope_Atom_Count	0
151707353	Undefined_Atom_Stereo_Count	2
151419	Mono_Isotopic_Weight	266.10150494
35898	Structure_Complexity	312
55293	Covalent_Unit_Count	1
2951910	Hydrogen_Bond_Acceptor_Count	6
3081561	Hydrogen_Bond_Acceptor_Count	51
44154280	Tautomer_Count	6
104926	Tautomer_Count	1
30531	Exact_Mass	628.12340
5280934	Hydrogen_Bond_Acceptor_Count	2
87868	Undefined_Atom_Stereo_Count	0
165901	Hydrogen_Bond_Acceptor_Count	4
10920463	Defined_Atom_Stereo_Count	0
4534	Hydrogen_Bond_Acceptor_Count	4
61345	Tautomer_Count	1
170993	Defined_Atom_Stereo_Count	0
153534619	Hydrogen_Bond_Acceptor_Count	2
58375	Rotatable_Bond_Count	5
54187438	Non-hydrogen_Atom_Count	7
4612	Hydrogen_Bond_Acceptor_Count	5
51371222	Hydrogen_Bond_Acceptor_Count	6
903698	Defined_Atom_Stereo_Count	0
4727	Hydrogen_Bond_Acceptor_Count	4
1970	Mono_Isotopic_Weight	399.16550218
20979505	Non-hydrogen_Atom_Count	8
3033928	Structure_Complexity	478
11261	Structure_Complexity	43.4
98218	Defined_Bond_Stereo_Count	0
10080333	Molecular_Weight	100.16
968545	Structure_Complexity	387
66588767	XLogP3-AA	2.5
165870	Hydrogen_Bond_Acceptor_Count	3
3055173	Covalent_Unit_Count	2
923480	Structure_Complexity	352
12668	Molecular_Weight	162.27
68555	Structure_Complexity	368
135489810	Non-hydrogen_Atom_Count	8
51003123	Undefined_Atom_Stereo_Count	0
54587226	TPSA	99.4
7500	Molecular_Weight	106.16
41897	Exact_Mass	211.1127773
85976378	Undefined_Atom_Stereo_Count	2
5460819	Total_Formal_Charge	1
81261	Undefined_Bond_Stereo_Count	0
57144446	Rotatable_Bond_Count	0
41214	Covalent_Unit_Count	1
6529	Defined_Atom_Stereo_Count	0
131254	Structure_Complexity	729
197081	Rotatable_Bond_Count	4
9952773	Mono_Isotopic_Weight	399.14053348
9862634	Total_Formal_Charge	0
4369502	Hydrogen_Bond_Acceptor_Count	6
57264323	Defined_Bond_Stereo_Count	0
71474517	Molecular_Weight	1001.3
69627068	Covalent_Unit_Count	1
3063228	Non-hydrogen_Atom_Count	10
88301824	Rotatable_Bond_Count	1
135564980	Undefined_Bond_Stereo_Count	0
198576	Structure_Complexity	443
29742	Tautomer_Count	13
18719616	Hydrogen_Bond_Acceptor_Count	3
238053	Rotatable_Bond_Count	4
15027981	TPSA	33.1
70652	Structure_Complexity	188
95512	Undefined_Bond_Stereo_Count	0
441348	Isotope_Atom_Count	0
60196260	Exact_Mass	305.18383758
84041	Hydrogen_Bond_Donor_Count	1
60196269	Rotatable_Bond_Count	5
17769783	Covalent_Unit_Count	1
56955954	Defined_Atom_Stereo_Count	0
135404161	Molecular_Weight	116.12
8498	Hydrogen_Bond_Donor_Count	2
42626680	Structure_Complexity	151
15626755	Molecular_Weight	112.13
59909678	Molecular_Weight	91.11
135402338	Hydrogen_Bond_Donor_Count	1
125183304	Undefined_Bond_Stereo_Count	1
445091	Hydrogen_Bond_Acceptor_Count	4
11013485	Isotope_Atom_Count	0
76335	Hydrogen_Bond_Acceptor_Count	1
155142	Hydrogen_Bond_Donor_Count	0
84041	TPSA	41.6
20190	Hydrogen_Bond_Donor_Count	2
842	Structure_Complexity	284
16051921	Structure_Complexity	406
7197	Undefined_Bond_Stereo_Count	0
79619	Mono_Isotopic_Weight	157.052763847
10173277	Undefined_Bond_Stereo_Count	0
637921	Exact_Mass	67.042199164
6918589	Structure_Complexity	1780
973350	Hydrogen_Bond_Acceptor_Count	3
6433547	Covalent_Unit_Count	1
347590	Rotatable_Bond_Count	3
101611446	Rotatable_Bond_Count	0
6918286	Total_Formal_Charge	1
71562	Defined_Bond_Stereo_Count	0
163563466	TPSA	3
13991616	Defined_Bond_Stereo_Count	0
135270107	Hydrogen_Bond_Donor_Count	2
44719848	Undefined_Bond_Stereo_Count	0
80145	Undefined_Atom_Stereo_Count	0
568084	Defined_Atom_Stereo_Count	0
16421	TPSA	96.4
56841653	Hydrogen_Bond_Donor_Count	5
3416433	Hydrogen_Bond_Acceptor_Count	2
410914	Defined_Bond_Stereo_Count	0
26139	Structure_Complexity	239
57784275	Molecular_Weight	96.09
244809	Non-hydrogen_Atom_Count	22
916113	Structure_Complexity	506
5284572	Mono_Isotopic_Weight	774.27732385
16049289	Hydrogen_Bond_Donor_Count	4
13042808	Non-hydrogen_Atom_Count	7
54023535	Molecular_Weight	114.19
12873460	Mono_Isotopic_Weight	915.51914999
14342	Isotope_Atom_Count	0
136362	Hydrogen_Bond_Donor_Count	2
54753	Covalent_Unit_Count	1
107647	Molecular_Weight	210.11
70346812	Defined_Atom_Stereo_Count	0
86775236	Defined_Bond_Stereo_Count	0
72941955	Hydrogen_Bond_Acceptor_Count	19
9794806	Undefined_Atom_Stereo_Count	0
297183	Hydrogen_Bond_Acceptor_Count	1
5328940	Non-hydrogen_Atom_Count	36
54152337	Exact_Mass	358.1183161
70265	Total_Formal_Charge	0
12085	Undefined_Atom_Stereo_Count	0
21131860	Exact_Mass	99.104799419
513956	Defined_Atom_Stereo_Count	2
11497836	Defined_Bond_Stereo_Count	0
141344	Exact_Mass	84.057514874
21228	Undefined_Bond_Stereo_Count	0
592	Hydrogen_Bond_Donor_Count	9
71072118	Undefined_Atom_Stereo_Count	0
3035240	TPSA	67.6
5748217	Rotatable_Bond_Count	12
89332529	Covalent_Unit_Count	1
12576	Mono_Isotopic_Weight	166.03784206
67299	Exact_Mass	177.9588348
96458	Structure_Complexity	451
18645875	Undefined_Atom_Stereo_Count	0
24848201	Hydrogen_Bond_Donor_Count	1
10444413	Covalent_Unit_Count	1
6693	Isotope_Atom_Count	0
7263	Hydrogen_Bond_Donor_Count	2
89683805	Molecular_Weight	473.4
6183357	XLogP3-AA	2.5
439918	Exact_Mass	175.05930578
12306254	Hydrogen_Bond_Donor_Count	2
154824336	Undefined_Bond_Stereo_Count	0
18953179	Undefined_Bond_Stereo_Count	0
4568795	Rotatable_Bond_Count	1
78485	Defined_Bond_Stereo_Count	0
4782	Undefined_Atom_Stereo_Count	1
9823180	Hydrogen_Bond_Acceptor_Count	3
194777	Total_Formal_Charge	0
16693	Mono_Isotopic_Weight	187.9795702
87125982	Total_Formal_Charge	0
60196332	Rotatable_Bond_Count	4
5281067	Structure_Complexity	368
15939272	Rotatable_Bond_Count	0
55284153	TPSA	53.6
709	Rotatable_Bond_Count	3
53743621	Hydrogen_Bond_Acceptor_Count	2
42471	TPSA	30.7
17788563	Mono_Isotopic_Weight	111.068413911
3101	Covalent_Unit_Count	1
60	Exact_Mass	601.04750736
12335	Structure_Complexity	19.9
6919051	Defined_Atom_Stereo_Count	0
49440	Hydrogen_Bond_Acceptor_Count	1
104807	Hydrogen_Bond_Acceptor_Count	3
2775510	Non-hydrogen_Atom_Count	22
7650	TPSA	26.3
14508	Covalent_Unit_Count	1
10307849	Isotope_Atom_Count	0
43899	TPSA	58.2
4023	Exact_Mass	375.0065132
12304094	Defined_Bond_Stereo_Count	0
12226994	Structure_Complexity	38.5
5460822	Non-hydrogen_Atom_Count	13
12763	Hydrogen_Bond_Acceptor_Count	0
116842253	Mono_Isotopic_Weight	109.089149355
3025986	Non-hydrogen_Atom_Count	25
85557	Total_Formal_Charge	0
78576	Undefined_Bond_Stereo_Count	0
89737	Undefined_Atom_Stereo_Count	0
6916004	Rotatable_Bond_Count	0
101316977	Undefined_Bond_Stereo_Count	0
5488233	Hydrogen_Bond_Donor_Count	1
2280	Rotatable_Bond_Count	4
443366	Undefined_Atom_Stereo_Count	1
24827	Structure_Complexity	118
28705	Undefined_Bond_Stereo_Count	0
4991	Hydrogen_Bond_Donor_Count	0
69833	Exact_Mass	114.104465066
24848419	Molecular_Weight	420.5
56840960	Hydrogen_Bond_Donor_Count	2
5743186	Undefined_Atom_Stereo_Count	0
19471	Defined_Atom_Stereo_Count	0
25203153	Non-hydrogen_Atom_Count	7
9802542	Total_Formal_Charge	0
46174097	Covalent_Unit_Count	1
136393889	Hydrogen_Bond_Acceptor_Count	4
409836	Non-hydrogen_Atom_Count	30
10334852	Exact_Mass	298.09872823
539244	Structure_Complexity	1020
9802545	Rotatable_Bond_Count	4
4538	Undefined_Bond_Stereo_Count	0
5352438	TPSA	26.3
1837	Defined_Bond_Stereo_Count	0
314533	Undefined_Bond_Stereo_Count	0
758	Non-hydrogen_Atom_Count	80
12554265	Isotope_Atom_Count	0
55299073	XLogP3-AA	0.1
130805	Rotatable_Bond_Count	6
5360373	Non-hydrogen_Atom_Count	96
37114	Hydrogen_Bond_Acceptor_Count	3
5352621	Exact_Mass	277.183049738
552549	Defined_Bond_Stereo_Count	0
37020	Undefined_Bond_Stereo_Count	0
76430	Non-hydrogen_Atom_Count	6
92185	Covalent_Unit_Count	1
66828839	Defined_Atom_Stereo_Count	7
65452	Tautomer_Count	3
13334205	Rotatable_Bond_Count	0
11741	Defined_Atom_Stereo_Count	0
1473603	Isotope_Atom_Count	0
6293	Undefined_Atom_Stereo_Count	0
9808654	Exact_Mass	592.3059301
524655	Total_Formal_Charge	0
3057	Molecular_Weight	478.6
6422232	Undefined_Atom_Stereo_Count	0
10857507	Rotatable_Bond_Count	3
46173802	Non-hydrogen_Atom_Count	36
17756794	Covalent_Unit_Count	2
5281976	Non-hydrogen_Atom_Count	15
123348667	Covalent_Unit_Count	1
12313776	Undefined_Bond_Stereo_Count	0
5902	Defined_Bond_Stereo_Count	0
2578	Defined_Bond_Stereo_Count	0
6931101	Mono_Isotopic_Weight	180.02968267
8092	Non-hydrogen_Atom_Count	11
85032	Undefined_Atom_Stereo_Count	0
86811213	Structure_Complexity	263
9846332	Mono_Isotopic_Weight	444.1515080
65650	Structure_Complexity	250
42865	Hydrogen_Bond_Donor_Count	2
281459	Hydrogen_Bond_Donor_Count	1
824336	Exact_Mass	348.0335411
164608	Undefined_Bond_Stereo_Count	0
7059454	Rotatable_Bond_Count	5
136212992	TPSA	60.7
3883	Undefined_Atom_Stereo_Count	1
5815211	Exact_Mass	514.01091900
59901542	Molecular_Weight	19.057
4044	Defined_Atom_Stereo_Count	0
442461	Isotope_Atom_Count	0
84106846	Defined_Atom_Stereo_Count	0
441398	Rotatable_Bond_Count	10
54579608	Hydrogen_Bond_Donor_Count	8
8969	Molecular_Weight	354.4
67570	Defined_Bond_Stereo_Count	0
4421864	Isotope_Atom_Count	0
4714721	Mono_Isotopic_Weight	112.052429494
72728884	Defined_Atom_Stereo_Count	0
234818	Exact_Mass	309.172878976
21702783	Non-hydrogen_Atom_Count	8
15078	Total_Formal_Charge	0
16722	Rotatable_Bond_Count	8
22882	Molecular_Weight	400.0
10643636	Covalent_Unit_Count	1
240373	Rotatable_Bond_Count	4
58024981	Exact_Mass	113.058911855
171409	Non-hydrogen_Atom_Count	85
141082	Hydrogen_Bond_Donor_Count	0
17151	Structure_Complexity	186
528	Defined_Atom_Stereo_Count	0
59774	Defined_Atom_Stereo_Count	0
13432	Covalent_Unit_Count	1
22986609	Defined_Atom_Stereo_Count	0
11979704	Hydrogen_Bond_Donor_Count	0
53413800	Molecular_Weight	99.13
16070039	Non-hydrogen_Atom_Count	29
3003	Isotope_Atom_Count	0
7270	XLogP3	4.6
14511	Tautomer_Count	8
129010364	Non-hydrogen_Atom_Count	47
58606855	TPSA	0
45116667	Undefined_Atom_Stereo_Count	0
15990796	Isotope_Atom_Count	0
57385877	Hydrogen_Bond_Acceptor_Count	4
129148	TPSA	138
23663985	Isotope_Atom_Count	0
16665	Structure_Complexity	48
6432105	Isotope_Atom_Count	0
43672	Hydrogen_Bond_Donor_Count	3
45199	Structure_Complexity	177
131535	Molecular_Weight	623.7
10445549	Covalent_Unit_Count	1
642209	Structure_Complexity	95.6
3374	XLogP3-AA	2.9
53906657	TPSA	37.3
95890	TPSA	17.8
158334	Molecular_Weight	843.1
19166	Isotope_Atom_Count	0
24367	Structure_Complexity	322
14643622	Structure_Complexity	143
3518	XLogP3-AA	0.5
7554	Tautomer_Count	1
14298876	Isotope_Atom_Count	0
11796211	Undefined_Bond_Stereo_Count	0
50989756	Defined_Atom_Stereo_Count	0
8177	Total_Formal_Charge	0
928685	Defined_Bond_Stereo_Count	0
169794	Molecular_Weight	630.9
295965	Isotope_Atom_Count	0
53998308	Undefined_Atom_Stereo_Count	0
68195	Undefined_Atom_Stereo_Count	0
5367706	Structure_Complexity	203
83782	Exact_Mass	188.957199
75306	Defined_Atom_Stereo_Count	0
77016	Non-hydrogen_Atom_Count	21
96457	Rotatable_Bond_Count	2
5276614	TPSA	38.7
322353	Exact_Mass	110.048012819
10218	TPSA	63.2
760021	Exact_Mass	229.110278721
24414	TPSA	88.6
83466	TPSA	18.5
73957	Non-hydrogen_Atom_Count	22
12314120	Mono_Isotopic_Weight	548.29853298
6917949	Exact_Mass	1100.42080787
142186967	XLogP3-AA	5.1
88063521	TPSA	20.2
11545958	Defined_Atom_Stereo_Count	0
10215	Non-hydrogen_Atom_Count	20
18615953	Molecular_Weight	116.12
1246044	Structure_Complexity	365
243	Hydrogen_Bond_Acceptor_Count	2
547738	Undefined_Atom_Stereo_Count	1
77129	Rotatable_Bond_Count	0
13836896	Non-hydrogen_Atom_Count	15
6324659	Hydrogen_Bond_Donor_Count	5
24848222	Hydrogen_Bond_Donor_Count	1
73986	Total_Formal_Charge	0
130153178	Hydrogen_Bond_Acceptor_Count	3
23724967	Covalent_Unit_Count	5
54435026	TPSA	29.5
58750499	Defined_Atom_Stereo_Count	0
5045	Non-hydrogen_Atom_Count	28
16218742	Rotatable_Bond_Count	37
11954230	Hydrogen_Bond_Donor_Count	1
6175	Hydrogen_Bond_Donor_Count	4
76714	TPSA	52
44560619	Covalent_Unit_Count	1
825	Mono_Isotopic_Weight	131.058243149
135718449	Covalent_Unit_Count	1
5282168	TPSA	181
17358	Isotope_Atom_Count	0
1241301	Isotope_Atom_Count	0
18940396	Hydrogen_Bond_Acceptor_Count	2
7969	Defined_Atom_Stereo_Count	0
12933763	Structure_Complexity	128
6419807	Defined_Bond_Stereo_Count	0
29805	Covalent_Unit_Count	2
70680234	Undefined_Bond_Stereo_Count	0
53683458	Covalent_Unit_Count	1
519846	Structure_Complexity	72.9
134735	TPSA	9.2
61670	Defined_Atom_Stereo_Count	0
8713	Hydrogen_Bond_Acceptor_Count	2
91171	Exact_Mass	118.099379685
84945	Hydrogen_Bond_Donor_Count	0
57280	Non-hydrogen_Atom_Count	31
51918	Structure_Complexity	153
24900942	XLogP3-AA	3.3
20448998	TPSA	52
71743	Non-hydrogen_Atom_Count	23
86287517	Hydrogen_Bond_Acceptor_Count	3
73707487	XLogP3	1.9
9953630	TPSA	121
92270	Defined_Bond_Stereo_Count	0
9793707	Defined_Atom_Stereo_Count	0
98148766	Covalent_Unit_Count	1
3452	Tautomer_Count	1
2564	Structure_Complexity	267
10176241	Hydrogen_Bond_Donor_Count	2
15816	Exact_Mass	216.13615911
11542775	Total_Formal_Charge	0
156284	Tautomer_Count	2
147684232	Rotatable_Bond_Count	1
10145345	Covalent_Unit_Count	1
23190	Molecular_Weight	266.25
50925404	Structure_Complexity	685
698364	Undefined_Bond_Stereo_Count	0
661958	Exact_Mass	286.9953820
25014810	Exact_Mass	277.13274550
72070	Tautomer_Count	1
70819549	Exact_Mass	330.13848159
143009217	Structure_Complexity	138
135565884	Mono_Isotopic_Weight	471.22703980
18428533	Undefined_Atom_Stereo_Count	0
21788	Undefined_Bond_Stereo_Count	0
11687	Exact_Mass	346.21440943
151205	Undefined_Bond_Stereo_Count	0
15976	Total_Formal_Charge	0
94228	Tautomer_Count	1
5488186	Hydrogen_Bond_Acceptor_Count	4
13045210	Exact_Mass	113.07014524
76374506	Undefined_Bond_Stereo_Count	0
7087	Defined_Bond_Stereo_Count	0
73241	Defined_Bond_Stereo_Count	0
123971568	Covalent_Unit_Count	1
2734673	Total_Formal_Charge	0
4545429	Hydrogen_Bond_Acceptor_Count	2
44560703	Hydrogen_Bond_Acceptor_Count	4
97724	Non-hydrogen_Atom_Count	11
677	Tautomer_Count	1
130121992	Non-hydrogen_Atom_Count	7
21876618	Molecular_Weight	108.10
76979151	Molecular_Weight	117.15
193168	Undefined_Atom_Stereo_Count	0
7865	Exact_Mass	60.021129366
2	Defined_Bond_Stereo_Count	0
14786532	Undefined_Bond_Stereo_Count	0
17754054	Non-hydrogen_Atom_Count	13
9609	Exact_Mass	90.05032149
5362124	Hydrogen_Bond_Acceptor_Count	6
7196	Hydrogen_Bond_Acceptor_Count	4
143007	Hydrogen_Bond_Acceptor_Count	1
79276	Total_Formal_Charge	0
109016492	Non-hydrogen_Atom_Count	21
54700	Total_Formal_Charge	0
25129043	Structure_Complexity	829
47510	Non-hydrogen_Atom_Count	16
14647	Covalent_Unit_Count	1
12561666	Hydrogen_Bond_Acceptor_Count	1
4841	Hydrogen_Bond_Donor_Count	1
71622	Structure_Complexity	612
71680685	XLogP3-AA	3.6
135697	Mono_Isotopic_Weight	112.016043985
344693	Defined_Atom_Stereo_Count	0
5289501	XLogP3-AA	7.5
432760	Undefined_Bond_Stereo_Count	0
58096	Isotope_Atom_Count	0
16683093	Non-hydrogen_Atom_Count	21
11727234	Rotatable_Bond_Count	1
192160	Undefined_Bond_Stereo_Count	0
5732	Structure_Complexity	417
26191	Molecular_Weight	278.78
21608018	Total_Formal_Charge	0
5362792	Mono_Isotopic_Weight	142.135765193
139256539	Isotope_Atom_Count	0
146158371	Structure_Complexity	915
10034582	Isotope_Atom_Count	0
20759	Mono_Isotopic_Weight	150.068079557
73465	Exact_Mass	246.125594432
1489495	Defined_Bond_Stereo_Count	0
2230	Structure_Complexity	187
35676	Undefined_Bond_Stereo_Count	0
54758307	Isotope_Atom_Count	0
24807614	Defined_Bond_Stereo_Count	9
17174	Isotope_Atom_Count	0
73075931	Isotope_Atom_Count	0
445063	Defined_Bond_Stereo_Count	0
1730	Hydrogen_Bond_Acceptor_Count	2
5359423	Hydrogen_Bond_Donor_Count	0
6254	Mono_Isotopic_Weight	395.97220756
164164617	TPSA	98.3
25612	Isotope_Atom_Count	0
140639440	TPSA	61.2
58806257	Defined_Bond_Stereo_Count	0
56677003	Exact_Mass	507.1785654
8861	Covalent_Unit_Count	1
81512	Hydrogen_Bond_Acceptor_Count	2
1438038	Defined_Atom_Stereo_Count	0
104276777	Molecular_Weight	110.15
75881	Covalent_Unit_Count	1
4821	Hydrogen_Bond_Donor_Count	7
92333	Undefined_Bond_Stereo_Count	0
11422859	Non-hydrogen_Atom_Count	55
12386623	Total_Formal_Charge	0
5359484	Covalent_Unit_Count	2
95274	Undefined_Atom_Stereo_Count	0
72099	Mono_Isotopic_Weight	244.08995782
145945114	Covalent_Unit_Count	2
13253	Undefined_Bond_Stereo_Count	0
642163	Total_Formal_Charge	0
13556	Defined_Bond_Stereo_Count	0
57450901	Exact_Mass	114.104465066
124933	Undefined_Atom_Stereo_Count	1
3849	Isotope_Atom_Count	0
398638	Exact_Mass	333.15896025
162652	Tautomer_Count	1
91694113	Undefined_Atom_Stereo_Count	2
439575	Defined_Atom_Stereo_Count	1
15950514	Exact_Mass	169.110278721
13738	Covalent_Unit_Count	1
42955	XLogP3	3.7
9893228	Mono_Isotopic_Weight	530.23382472
658645	Defined_Atom_Stereo_Count	0
41889	Defined_Atom_Stereo_Count	0
93147	Undefined_Atom_Stereo_Count	0
122449120	Covalent_Unit_Count	1
16678	TPSA	20.2
15914	Defined_Bond_Stereo_Count	0
3034278	Defined_Bond_Stereo_Count	0
28936	Defined_Bond_Stereo_Count	0
139254656	Hydrogen_Bond_Donor_Count	2
5463411	XLogP3-AA	3.6
44392167	Non-hydrogen_Atom_Count	37
4376	Undefined_Atom_Stereo_Count	1
2735309	Defined_Atom_Stereo_Count	0
9955534	Defined_Bond_Stereo_Count	0
634470	XLogP3-AA	3.9
22505735	Total_Formal_Charge	0
69627068	Structure_Complexity	78.4
96670	Mono_Isotopic_Weight	294.125594432
7881	Mono_Isotopic_Weight	210.10209608
3057	Undefined_Atom_Stereo_Count	9
26798	Non-hydrogen_Atom_Count	22
735319	TPSA	17.3
9051	Mono_Isotopic_Weight	312.208930132
67497	Mono_Isotopic_Weight	184.03467143
10369242	Covalent_Unit_Count	1
6433119	Non-hydrogen_Atom_Count	29
7700	Non-hydrogen_Atom_Count	19
3388301	TPSA	49.4
25202592	Mono_Isotopic_Weight	129.078978594
135476260	Defined_Atom_Stereo_Count	0
3392731	Molecular_Weight	502.8
6337677	Hydrogen_Bond_Acceptor_Count	7
20226581	Isotope_Atom_Count	0
71309208	TPSA	0
10836	Molecular_Weight	149.23
9574101	Mono_Isotopic_Weight	473.26381923
71151	Hydrogen_Bond_Donor_Count	2
75322	Defined_Atom_Stereo_Count	0
18459757	Undefined_Bond_Stereo_Count	0
44560807	TPSA	139
71449007	Mono_Isotopic_Weight	1914.8077146
45788558	Defined_Bond_Stereo_Count	0
24883424	Undefined_Atom_Stereo_Count	0
14120104	Structure_Complexity	78.2
161562	Exact_Mass	394.13266896
3527278	Undefined_Atom_Stereo_Count	0
56682314	Undefined_Bond_Stereo_Count	0
91593552	Structure_Complexity	70.8
243517	Total_Formal_Charge	0
758	TPSA	581
121206996	Defined_Bond_Stereo_Count	0
20015	Isotope_Atom_Count	0
56663315	Undefined_Atom_Stereo_Count	0
57400482	Hydrogen_Bond_Acceptor_Count	6
135565589	Defined_Bond_Stereo_Count	0
5414	Mono_Isotopic_Weight	306.24062418
448133	Hydrogen_Bond_Acceptor_Count	9
9421	Defined_Bond_Stereo_Count	0
4191617	XLogP3	2.1
34725	Mono_Isotopic_Weight	174.125594432
3891	Total_Formal_Charge	0
129654248	Structure_Complexity	97.7
22220896	Hydrogen_Bond_Donor_Count	1
61080	Rotatable_Bond_Count	5
109014	Undefined_Bond_Stereo_Count	0
12405	Undefined_Bond_Stereo_Count	0
917	Exact_Mass	153.10144537
12251749	Hydrogen_Bond_Acceptor_Count	1
48288	Non-hydrogen_Atom_Count	22
60724	Covalent_Unit_Count	1
40466924	Hydrogen_Bond_Donor_Count	1
124003	Hydrogen_Bond_Acceptor_Count	12
683253	Non-hydrogen_Atom_Count	19
117791208	Exact_Mass	102.079312947
55248	Mono_Isotopic_Weight	348.11437830
452977	Hydrogen_Bond_Acceptor_Count	5
76337	Non-hydrogen_Atom_Count	9
24965063	Defined_Bond_Stereo_Count	0
9799888	Hydrogen_Bond_Donor_Count	1
20559620	Non-hydrogen_Atom_Count	8
12648672	Undefined_Atom_Stereo_Count	0
4978	Total_Formal_Charge	0
60148432	Structure_Complexity	311
15352	TPSA	26
6560	Undefined_Bond_Stereo_Count	0
9823454	Structure_Complexity	692
3328	Defined_Bond_Stereo_Count	0
22491624	Structure_Complexity	72.5
37393	Hydrogen_Bond_Donor_Count	1
129987	Exact_Mass	383.03494150
138975	Total_Formal_Charge	0
5359484	Structure_Complexity	292
254598	Hydrogen_Bond_Donor_Count	0
135975	TPSA	0
10592	TPSA	94.8
18668047	Hydrogen_Bond_Donor_Count	1
75979	Hydrogen_Bond_Donor_Count	0
2733257	Structure_Complexity	72.1
5284373	Rotatable_Bond_Count	15
63100	Non-hydrogen_Atom_Count	16
738952	Non-hydrogen_Atom_Count	25
20469	Non-hydrogen_Atom_Count	28
87833	Covalent_Unit_Count	1
10462	Rotatable_Bond_Count	3
140607	XLogP3-AA	2.7
6918988	Hydrogen_Bond_Donor_Count	2
21326740	Hydrogen_Bond_Donor_Count	2
15190	Isotope_Atom_Count	0
42623223	Undefined_Bond_Stereo_Count	0
71112644	Undefined_Bond_Stereo_Count	0
135565471	TPSA	297
40466924	XLogP3	0.6
17171354	Non-hydrogen_Atom_Count	8
53326315	Structure_Complexity	648
44404640	Exact_Mass	651.31307810
112039	Isotope_Atom_Count	0
529277	Hydrogen_Bond_Donor_Count	0
442993	Exact_Mass	305.16270821
12093171	Defined_Atom_Stereo_Count	0
6518103	Rotatable_Bond_Count	4
46205737	Defined_Atom_Stereo_Count	5
14709	Hydrogen_Bond_Acceptor_Count	3
8055	Exact_Mass	150.01730729
23260879	Non-hydrogen_Atom_Count	8
95258	Structure_Complexity	174
217634	Total_Formal_Charge	0
436	Undefined_Atom_Stereo_Count	0
12363	Total_Formal_Charge	0
142809	Defined_Atom_Stereo_Count	0
3392711	Undefined_Atom_Stereo_Count	0
71308696	Isotope_Atom_Count	0
5548	Structure_Complexity	830
11457	Non-hydrogen_Atom_Count	10
132263855	Exact_Mass	342.11621151
76223860	Isotope_Atom_Count	0
130271321	Exact_Mass	113.07014524
12647151	Exact_Mass	132.04225873
135483765	Covalent_Unit_Count	1
1629	Defined_Bond_Stereo_Count	0
2679179	Undefined_Atom_Stereo_Count	0
25015463	Mono_Isotopic_Weight	521.31143813
10197612	Molecular_Weight	70.05
59473233	XLogP3-AA	3.6
6032	Rotatable_Bond_Count	6
17930361	Hydrogen_Bond_Donor_Count	0
24855	Mono_Isotopic_Weight	261.81225
24785025	Isotope_Atom_Count	0
3272524	Exact_Mass	336.01645516
12656387	Structure_Complexity	128
442504	Non-hydrogen_Atom_Count	11
117266483	Covalent_Unit_Count	1
17305	Isotope_Atom_Count	0
69332494	Undefined_Atom_Stereo_Count	0
69632065	Non-hydrogen_Atom_Count	8
44475990	Hydrogen_Bond_Donor_Count	2
10027816	Total_Formal_Charge	0
5489013	Tautomer_Count	2
23723057	Rotatable_Bond_Count	1
135445750	Isotope_Atom_Count	0
5743568	Tautomer_Count	40
3584	Total_Formal_Charge	0
77531	Defined_Atom_Stereo_Count	0
545800	Undefined_Bond_Stereo_Count	0
388136	Rotatable_Bond_Count	1
66036969	Rotatable_Bond_Count	2
73751	Undefined_Bond_Stereo_Count	0
70482	TPSA	29.1
4101	Defined_Atom_Stereo_Count	0
46936572	XLogP3-AA	2
110806	TPSA	46.5
165685	Non-hydrogen_Atom_Count	35
70265544	XLogP3-AA	1.2
72076	Defined_Atom_Stereo_Count	0
11136922	Isotope_Atom_Count	0
1304	Isotope_Atom_Count	0
15926139	Non-hydrogen_Atom_Count	11
53819405	Exact_Mass	115.063328530
20262	Total_Formal_Charge	0
6436148	Hydrogen_Bond_Donor_Count	1
129229305	Covalent_Unit_Count	1
53373584	Undefined_Atom_Stereo_Count	0
139073990	Exact_Mass	284.16237386
7529	Undefined_Bond_Stereo_Count	0
9279	Defined_Atom_Stereo_Count	0
281995	Defined_Bond_Stereo_Count	0
38382	Tautomer_Count	1
12702016	Rotatable_Bond_Count	2
67832	Structure_Complexity	131
888374	XLogP3-AA	2.3
16051921	Undefined_Bond_Stereo_Count	0
59295926	TPSA	87.6
17754438	Undefined_Bond_Stereo_Count	0
92764	Hydrogen_Bond_Acceptor_Count	0
544604	XLogP3-AA	0.9
13062961	Hydrogen_Bond_Donor_Count	1
154474669	TPSA	46.2
56659837	Rotatable_Bond_Count	3
23368901	Defined_Atom_Stereo_Count	0
22627013	Rotatable_Bond_Count	1
18850	Exact_Mass	82.078250319
441307	Mono_Isotopic_Weight	372.1815851
61235	Defined_Bond_Stereo_Count	0
14733	Exact_Mass	402.24062418
20658615	Undefined_Atom_Stereo_Count	0
10704662	Covalent_Unit_Count	1
2728270	Hydrogen_Bond_Donor_Count	1
7700	Structure_Complexity	186
14970212	Defined_Atom_Stereo_Count	0
6495	Defined_Atom_Stereo_Count	0
70696864	Mono_Isotopic_Weight	428.20730742
20545753	Hydrogen_Bond_Donor_Count	3
228430	Undefined_Atom_Stereo_Count	1
10991686	Defined_Bond_Stereo_Count	3
13527	Defined_Bond_Stereo_Count	0
11581936	Defined_Atom_Stereo_Count	0
3081884	Covalent_Unit_Count	5
118039329	Structure_Complexity	756
34636	Hydrogen_Bond_Acceptor_Count	5
19606581	Undefined_Bond_Stereo_Count	0
177700	Defined_Bond_Stereo_Count	0
11632113	Exact_Mass	371.12813423
5329020	Defined_Atom_Stereo_Count	0
11974019	Undefined_Bond_Stereo_Count	0
71482479	Mono_Isotopic_Weight	146.06914219
61799	Structure_Complexity	147
98651	XLogP3-AA	3.5
354520	Total_Formal_Charge	0
320263	Rotatable_Bond_Count	2
15463	Undefined_Atom_Stereo_Count	0
558889	TPSA	32.8
46203882	Undefined_Bond_Stereo_Count	0
91100506	Exact_Mass	98.011627311
447	Covalent_Unit_Count	1
798232	Hydrogen_Bond_Acceptor_Count	3
56801	Exact_Mass	603.31960277
72699435	Total_Formal_Charge	0
165542	Isotope_Atom_Count	0
60196367	Non-hydrogen_Atom_Count	31
1449	Undefined_Atom_Stereo_Count	0
108381	Tautomer_Count	3
70693265	TPSA	89.2
13452165	Exact_Mass	225.196688425
85668777	Total_Formal_Charge	0
52919	TPSA	46.6
72296	Total_Formal_Charge	0
69017	Defined_Atom_Stereo_Count	0
5281033	Isotope_Atom_Count	0
6476	Defined_Bond_Stereo_Count	0
49856296	Exact_Mass	411.18706670
559072	Mono_Isotopic_Weight	100.088815002
22056720	Hydrogen_Bond_Acceptor_Count	1
402871	Hydrogen_Bond_Donor_Count	0
37114	TPSA	49.7
24916897	Defined_Atom_Stereo_Count	4
11594	TPSA	0
45085139	Non-hydrogen_Atom_Count	8
13577	Defined_Bond_Stereo_Count	0
74070	Rotatable_Bond_Count	5
27402	Tautomer_Count	1
3826051	Hydrogen_Bond_Acceptor_Count	1
21558156	Undefined_Bond_Stereo_Count	0
121207425	TPSA	26.3
86287524	Undefined_Atom_Stereo_Count	2
131954609	Hydrogen_Bond_Donor_Count	3
87724106	Defined_Bond_Stereo_Count	0
8814	Rotatable_Bond_Count	3
6710769	Non-hydrogen_Atom_Count	29
53953608	Mono_Isotopic_Weight	114.104465066
19665	Defined_Bond_Stereo_Count	0
54060	Hydrogen_Bond_Donor_Count	0
30165	Hydrogen_Bond_Donor_Count	0
76063	Undefined_Bond_Stereo_Count	0
92764	Molecular_Weight	254.3
4632	Structure_Complexity	258
12669	Tautomer_Count	1
31493	Structure_Complexity	140
5719	Isotope_Atom_Count	0
17525	Rotatable_Bond_Count	8
10051341	TPSA	85.7
71459166	Rotatable_Bond_Count	4
22833489	Mono_Isotopic_Weight	345.938317
90997437	Exact_Mass	416.32904526
3578945	Undefined_Atom_Stereo_Count	0
143686076	TPSA	12
13459667	Exact_Mass	99.104799419
11389353	Undefined_Bond_Stereo_Count	0
2762892	Non-hydrogen_Atom_Count	8
25222248	Exact_Mass	363.13292312
692135	Hydrogen_Bond_Donor_Count	1
497698	Hydrogen_Bond_Acceptor_Count	6
88958513	Covalent_Unit_Count	1
20136721	Undefined_Bond_Stereo_Count	0
5283292	Hydrogen_Bond_Acceptor_Count	1
44828796	Undefined_Bond_Stereo_Count	0
656667	Mono_Isotopic_Weight	541.1979634
6971007	Mono_Isotopic_Weight	180.06338810
53807546	Undefined_Atom_Stereo_Count	0
9543216	Hydrogen_Bond_Acceptor_Count	4
5375	Defined_Atom_Stereo_Count	0
6326719	Structure_Complexity	1940
534114	Molecular_Weight	98.10
117479	Covalent_Unit_Count	1
16208013	Defined_Bond_Stereo_Count	0
56680335	Undefined_Atom_Stereo_Count	0
11532527	Undefined_Bond_Stereo_Count	0
46783795	Structure_Complexity	1080
66687596	Exact_Mass	100.016043985
33190	Isotope_Atom_Count	0
19042	Molecular_Weight	298.29
3036974	Undefined_Bond_Stereo_Count	0
17898	TPSA	35
7655	XLogP3	3.3
352309	Exact_Mass	273.266779359
40391	Undefined_Atom_Stereo_Count	0
118437609	TPSA	41.6
45046	Hydrogen_Bond_Acceptor_Count	2
30997	Hydrogen_Bond_Acceptor_Count	1
12260	Undefined_Atom_Stereo_Count	0
5281718	Undefined_Bond_Stereo_Count	0
27119	Molecular_Weight	216.66
4748	Covalent_Unit_Count	1
2451	Isotope_Atom_Count	0
65763	Rotatable_Bond_Count	7
90444	Non-hydrogen_Atom_Count	25
5108689	Hydrogen_Bond_Acceptor_Count	3
62371	Mono_Isotopic_Weight	266.0429505
520301	Structure_Complexity	48.6
122	Non-hydrogen_Atom_Count	14
102220	Mono_Isotopic_Weight	361.1808568
2546	Non-hydrogen_Atom_Count	16
177323	Mono_Isotopic_Weight	628.44647505
164072	Isotope_Atom_Count	0
17040	Exact_Mass	179.094628657
12762328	Covalent_Unit_Count	1
9886249	Total_Formal_Charge	0
42710	Hydrogen_Bond_Donor_Count	1
640194	Molecular_Weight	234.29
24831714	Molecular_Weight	424.9
809629	Rotatable_Bond_Count	3
93771	Total_Formal_Charge	0
57501504	Undefined_Atom_Stereo_Count	14
71571522	Defined_Bond_Stereo_Count	0
145709612	Defined_Bond_Stereo_Count	0
524955	XLogP3-AA	2.4
12505483	Undefined_Bond_Stereo_Count	0
19382908	Isotope_Atom_Count	0
146382	Structure_Complexity	1230
75530159	Defined_Atom_Stereo_Count	0
5288223	Undefined_Bond_Stereo_Count	0
34452	Covalent_Unit_Count	1
40471	Molecular_Weight	360.9
75040	Hydrogen_Bond_Acceptor_Count	1
851990	Hydrogen_Bond_Acceptor_Count	3
135297777	Defined_Atom_Stereo_Count	0
72200444	Isotope_Atom_Count	0
66751347	Isotope_Atom_Count	0
716121	XLogP3	3.4
56842231	Molecular_Weight	1141.3
142798	Mono_Isotopic_Weight	108.093900383
10532	Hydrogen_Bond_Acceptor_Count	4
7464	Exact_Mass	135.104799419
31233	Covalent_Unit_Count	1
13173560	Hydrogen_Bond_Donor_Count	0
12074440	Hydrogen_Bond_Acceptor_Count	2
5300	TPSA	152
130285	Undefined_Bond_Stereo_Count	0
49866693	Undefined_Atom_Stereo_Count	0
89317	Isotope_Atom_Count	0
88114173	Total_Formal_Charge	0
12523672	Undefined_Atom_Stereo_Count	2
13265779	Undefined_Bond_Stereo_Count	0
2997	Undefined_Bond_Stereo_Count	0
8159	Exact_Mass	158.130679813
52999	Hydrogen_Bond_Acceptor_Count	9
65600	TPSA	23.5
4714967	Mono_Isotopic_Weight	189.078978594
3140955	Undefined_Bond_Stereo_Count	0
19529	TPSA	59.8
12220383	Hydrogen_Bond_Acceptor_Count	1
70697366	XLogP3-AA	3.5
129738033	Molecular_Weight	256.32
54670067	Defined_Atom_Stereo_Count	2
117791208	Structure_Complexity	57.7
94625	Hydrogen_Bond_Donor_Count	0
16659838	Undefined_Bond_Stereo_Count	0
37890	Defined_Bond_Stereo_Count	0
89077	Rotatable_Bond_Count	4
1800	Molecular_Weight	161.18
84420187	Rotatable_Bond_Count	1
10920475	Hydrogen_Bond_Donor_Count	0
9865421	Non-hydrogen_Atom_Count	29
95578	Exact_Mass	208.00989
54373	Non-hydrogen_Atom_Count	79
12664537	Hydrogen_Bond_Acceptor_Count	4
13023573	Exact_Mass	134.094294304
7592	Non-hydrogen_Atom_Count	13
97456	Defined_Bond_Stereo_Count	0
44412343	Total_Formal_Charge	0
7986	Mono_Isotopic_Weight	314.24570956
24266	Mono_Isotopic_Weight	143.93644758
97982	Non-hydrogen_Atom_Count	15
11415	Total_Formal_Charge	0
49863420	Total_Formal_Charge	1
5284580	Tautomer_Count	1
161973	TPSA	0
10957430	Tautomer_Count	3
4205037	TPSA	74.8
10021510	Hydrogen_Bond_Acceptor_Count	4
5378825	Hydrogen_Bond_Donor_Count	1
139078440	Total_Formal_Charge	0
75243795	Structure_Complexity	593
87071867	TPSA	45.7
441199	XLogP3	0
19648	Exact_Mass	1456.4334786
5280965	Exact_Mass	923.48784986
54132691	Mono_Isotopic_Weight	108.093900383
9952884	Undefined_Atom_Stereo_Count	0
89152969	Exact_Mass	114.104465066
140470	Defined_Atom_Stereo_Count	0
9669	Total_Formal_Charge	0
9853053	TPSA	61.4
443040	Defined_Bond_Stereo_Count	0
5955	Undefined_Bond_Stereo_Count	0
11977	Non-hydrogen_Atom_Count	10
136703	Covalent_Unit_Count	1
6506221	Mono_Isotopic_Weight	236.214015512
148022	Isotope_Atom_Count	0
132281917	Molecular_Weight	578.3
59814883	Exact_Mass	110.073164938
122844	Hydrogen_Bond_Donor_Count	1
423438	Defined_Atom_Stereo_Count	0
91750	Isotope_Atom_Count	0
85734	Hydrogen_Bond_Acceptor_Count	1
44134815	Isotope_Atom_Count	0
637146	Rotatable_Bond_Count	1
56974851	Molecular_Weight	103.12
87809064	Exact_Mass	103.063328530
9578570	Tautomer_Count	2
11344002	TPSA	40.3
11519741	Hydrogen_Bond_Acceptor_Count	7
145765	Hydrogen_Bond_Acceptor_Count	2
57104	Total_Formal_Charge	0
7422	Defined_Bond_Stereo_Count	0
119569	Undefined_Bond_Stereo_Count	0
84647614	Isotope_Atom_Count	0
4649	Molecular_Weight	153.14
518469	Defined_Bond_Stereo_Count	0
12467	XLogP3-AA	4.7
70291	Non-hydrogen_Atom_Count	11
110964	Exact_Mass	154.078250319
973350	Molecular_Weight	302.5
10390369	Covalent_Unit_Count	1
69137	Isotope_Atom_Count	0
76958180	Non-hydrogen_Atom_Count	60
714222	Defined_Bond_Stereo_Count	0
5281	Mono_Isotopic_Weight	284.271530387
2285	Undefined_Atom_Stereo_Count	0
54434340	XLogP3-AA	3.6
951	Defined_Bond_Stereo_Count	0
9865554	Total_Formal_Charge	0
12340	Mono_Isotopic_Weight	88.088815002
89053264	Non-hydrogen_Atom_Count	8
16136912	Molecular_Weight	1793.1
12771867	Total_Formal_Charge	0
20527	XLogP3-AA	2.4
5356697	Defined_Bond_Stereo_Count	1
101771	Exact_Mass	334.25079494
124224930	Undefined_Atom_Stereo_Count	0
40469210	Undefined_Atom_Stereo_Count	0
9168	XLogP3	8.2
10276115	Rotatable_Bond_Count	8
66931374	Non-hydrogen_Atom_Count	30
5251896	Defined_Atom_Stereo_Count	0
21322	Non-hydrogen_Atom_Count	14
441332	Covalent_Unit_Count	1
11114	Isotope_Atom_Count	0
25142309	Hydrogen_Bond_Acceptor_Count	4
45085092	Covalent_Unit_Count	1
12285877	Tautomer_Count	1
6437358	Undefined_Atom_Stereo_Count	0
10464328	Total_Formal_Charge	0
7019277	TPSA	46.5
23635364	Hydrogen_Bond_Acceptor_Count	2
2783363	Undefined_Bond_Stereo_Count	0
13908	Non-hydrogen_Atom_Count	15
64992139	Total_Formal_Charge	0
57391652	Hydrogen_Bond_Acceptor_Count	11
5367460	Structure_Complexity	327
969097	Hydrogen_Bond_Donor_Count	1
67375395	TPSA	103
12316	XLogP3-AA	0.7
6057875	Hydrogen_Bond_Donor_Count	7
13485108	Defined_Bond_Stereo_Count	0
22451301	Mono_Isotopic_Weight	112.03851076
2761171	Non-hydrogen_Atom_Count	11
161333	Tautomer_Count	1
58913258	Covalent_Unit_Count	1
5283547	Molecular_Weight	580.9
17090	Undefined_Bond_Stereo_Count	0
352114	Molecular_Weight	83.13
17825268	Hydrogen_Bond_Acceptor_Count	3
265776	Molecular_Weight	109.13
75644	Rotatable_Bond_Count	1
17012	Undefined_Bond_Stereo_Count	1
637146	Hydrogen_Bond_Acceptor_Count	0
1422	Total_Formal_Charge	0
16247	Undefined_Atom_Stereo_Count	0
110789	TPSA	20.2
11263727	Rotatable_Bond_Count	0
11477651	Isotope_Atom_Count	0
52945793	Hydrogen_Bond_Donor_Count	1
57642301	Rotatable_Bond_Count	0
67782238	Defined_Atom_Stereo_Count	0
7654	Structure_Complexity	137
11937	Total_Formal_Charge	0
22392829	Mono_Isotopic_Weight	98.048012819
24916897	Defined_Bond_Stereo_Count	0
2822	Covalent_Unit_Count	1
66579015	Defined_Atom_Stereo_Count	11
68682	Non-hydrogen_Atom_Count	38
44359653	Exact_Mass	1264.59104382
66383	Non-hydrogen_Atom_Count	37
88396	Tautomer_Count	2
7305	Covalent_Unit_Count	1
50258	Hydrogen_Bond_Donor_Count	3
10200589	Molecular_Weight	393.4
89456730	Exact_Mass	111.068413911
9093	TPSA	18.5
1252264	Defined_Atom_Stereo_Count	0
22262513	Defined_Atom_Stereo_Count	0
56927704	Non-hydrogen_Atom_Count	53
3083655	Tautomer_Count	2
137224392	Undefined_Atom_Stereo_Count	2
17244514	Molecular_Weight	98.10
9884439	Non-hydrogen_Atom_Count	23
6999941	Mono_Isotopic_Weight	140.120115130
123135742	Mono_Isotopic_Weight	989.56294335
656909	Exact_Mass	308.16574516
11789162	Hydrogen_Bond_Donor_Count	1
409642	Mono_Isotopic_Weight	198.02114662
3249988	Covalent_Unit_Count	1
133119249	Defined_Atom_Stereo_Count	5
11717025	Defined_Atom_Stereo_Count	0
10798	Defined_Atom_Stereo_Count	0
135426867	Tautomer_Count	26
9989237	Structure_Complexity	68.3
67075765	Hydrogen_Bond_Donor_Count	0
64048	TPSA	58.2
208925	Total_Formal_Charge	0
9812414	Rotatable_Bond_Count	10
22028207	Non-hydrogen_Atom_Count	7
9325	Defined_Atom_Stereo_Count	3
69982	Isotope_Atom_Count	0
58638	Undefined_Bond_Stereo_Count	0
48409	Hydrogen_Bond_Donor_Count	1
140532060	Undefined_Atom_Stereo_Count	0
85542	Total_Formal_Charge	0
5072	Defined_Atom_Stereo_Count	0
158385	Undefined_Bond_Stereo_Count	0
23277870	Rotatable_Bond_Count	3
58863788	Defined_Atom_Stereo_Count	0
11154544	Defined_Bond_Stereo_Count	0
71459117	Total_Formal_Charge	0
68909	Defined_Bond_Stereo_Count	0
64914374	Molecular_Weight	112.17
57351929	Defined_Bond_Stereo_Count	0
141201	Undefined_Bond_Stereo_Count	0
566735	Molecular_Weight	98.10
71517698	Rotatable_Bond_Count	5
100930731	Non-hydrogen_Atom_Count	7
19493	Covalent_Unit_Count	1
5284543	Defined_Atom_Stereo_Count	5
72941442	Undefined_Bond_Stereo_Count	0
11870241	Mono_Isotopic_Weight	391.28483472
444795	Undefined_Bond_Stereo_Count	0
87713	Undefined_Bond_Stereo_Count	0
71414	Hydrogen_Bond_Acceptor_Count	9
1483	Hydrogen_Bond_Donor_Count	1
54110642	Total_Formal_Charge	0
15741339	TPSA	29.1
6408	TPSA	0
118578546	Total_Formal_Charge	0
80278	Defined_Bond_Stereo_Count	0
542	Hydrogen_Bond_Donor_Count	1
170249	Hydrogen_Bond_Acceptor_Count	0
7267	Undefined_Bond_Stereo_Count	0
16067950	Defined_Bond_Stereo_Count	0
149208291	TPSA	21.9
419186	Covalent_Unit_Count	1
2801525	TPSA	29.1
77541	Defined_Bond_Stereo_Count	0
9841	Undefined_Atom_Stereo_Count	0
90248267	Structure_Complexity	53.7
25229	Covalent_Unit_Count	1
5242388	Rotatable_Bond_Count	4
10360656	Hydrogen_Bond_Donor_Count	1
613952	Exact_Mass	238.110613074
24883486	Isotope_Atom_Count	0
54601732	Mono_Isotopic_Weight	765.18484335
18100	Undefined_Atom_Stereo_Count	0
350	Mono_Isotopic_Weight	343.08546021
129628447	Defined_Bond_Stereo_Count	5
99915	Hydrogen_Bond_Acceptor_Count	2
3406	Undefined_Atom_Stereo_Count	0
4385988	TPSA	118
3003141	Molecular_Weight	354.3
65866	Defined_Atom_Stereo_Count	0
51556	Undefined_Bond_Stereo_Count	0
15853020	Undefined_Bond_Stereo_Count	0
31134	Defined_Bond_Stereo_Count	0
153337527	Hydrogen_Bond_Donor_Count	1
12720	TPSA	0
56626	Hydrogen_Bond_Acceptor_Count	7
161780	Rotatable_Bond_Count	0
657690	Covalent_Unit_Count	1
11676981	Defined_Bond_Stereo_Count	0
68068812	Molecular_Weight	114.14
4306436	Molecular_Weight	320.5
117852135	Non-hydrogen_Atom_Count	28
25159060	Undefined_Atom_Stereo_Count	0
90087	Hydrogen_Bond_Acceptor_Count	1
17807203	Total_Formal_Charge	0
6016	Covalent_Unit_Count	1
24755478	TPSA	166
6391	Defined_Atom_Stereo_Count	0
73355083	Mono_Isotopic_Weight	408.1153171
83884	Covalent_Unit_Count	2
1573	Total_Formal_Charge	0
3410	TPSA	90.8
62697	Hydrogen_Bond_Donor_Count	0
163091	Undefined_Bond_Stereo_Count	0
24450	TPSA	83.4
6937	Rotatable_Bond_Count	1
7092657	TPSA	37.3
123631	Structure_Complexity	545
26033	Defined_Bond_Stereo_Count	0
5353760	Hydrogen_Bond_Donor_Count	1
83270	Defined_Atom_Stereo_Count	0
704481	Defined_Bond_Stereo_Count	0
9826358	Hydrogen_Bond_Donor_Count	2
4779	Exact_Mass	335.09225967
104973	Defined_Atom_Stereo_Count	0
8049	Undefined_Atom_Stereo_Count	0
517121	Isotope_Atom_Count	0
11499204	Tautomer_Count	1
24808640	Hydrogen_Bond_Donor_Count	0
364704	Hydrogen_Bond_Acceptor_Count	6
134283942	Isotope_Atom_Count	0
53316376	Mono_Isotopic_Weight	516.07286792
2542	XLogP3-AA	6.3
68162	Mono_Isotopic_Weight	102.068079557
26877	Undefined_Atom_Stereo_Count	2
3034	TPSA	119
59811194	TPSA	0
57130072	Defined_Atom_Stereo_Count	0
62098	Defined_Atom_Stereo_Count	0
231360	Isotope_Atom_Count	0
39018	Defined_Atom_Stereo_Count	0
15773	Tautomer_Count	1
325003	Undefined_Atom_Stereo_Count	2
68260574	Hydrogen_Bond_Acceptor_Count	3
14162119	Exact_Mass	116.047344113
9547700	Hydrogen_Bond_Donor_Count	1
7021	Exact_Mass	238.08412354
2724027	Exact_Mass	117.115364102
7926	Isotope_Atom_Count	0
136254272	Non-hydrogen_Atom_Count	28
10975445	Non-hydrogen_Atom_Count	8
215932	Hydrogen_Bond_Acceptor_Count	4
13930075	Undefined_Atom_Stereo_Count	2
147641740	Total_Formal_Charge	0
6034084	Mono_Isotopic_Weight	230.12665706
136171075	Defined_Atom_Stereo_Count	4
89760664	Undefined_Atom_Stereo_Count	0
636402	TPSA	124
162489847	Undefined_Bond_Stereo_Count	0
3023651	Rotatable_Bond_Count	2
9128	Mono_Isotopic_Weight	252.093900383
2103	Total_Formal_Charge	0
985	Non-hydrogen_Atom_Count	18
2348	XLogP3	0.9
6414	Undefined_Atom_Stereo_Count	0
289539	Non-hydrogen_Atom_Count	8
4627807	Mono_Isotopic_Weight	115.099714038
10395173	Non-hydrogen_Atom_Count	52
87870867	Mono_Isotopic_Weight	113.047678466
60165516	Molecular_Weight	292.4
134564038	Rotatable_Bond_Count	0
142149539	Isotope_Atom_Count	0
5460588	Hydrogen_Bond_Donor_Count	2
21482444	Non-hydrogen_Atom_Count	8
15221251	Molecular_Weight	322.28
77082	Covalent_Unit_Count	2
31224	Undefined_Bond_Stereo_Count	2
138477	Structure_Complexity	122
10690	Defined_Atom_Stereo_Count	4
12632928	TPSA	12
137701	Molecular_Weight	86.13
91298647	Undefined_Atom_Stereo_Count	0
87587	Mono_Isotopic_Weight	99.104799419
9868770	Undefined_Bond_Stereo_Count	0
19859	Isotope_Atom_Count	0
47151	Undefined_Atom_Stereo_Count	0
11492951	Defined_Atom_Stereo_Count	0
55305	Rotatable_Bond_Count	4
32322	Tautomer_Count	4
3598	Undefined_Atom_Stereo_Count	0
13664903	Undefined_Atom_Stereo_Count	1
3017434	Undefined_Bond_Stereo_Count	0
71987	Defined_Bond_Stereo_Count	0
12579106	TPSA	20.2
715513	Undefined_Bond_Stereo_Count	0
16133899	Hydrogen_Bond_Acceptor_Count	152
20387240	Undefined_Atom_Stereo_Count	2
46244454	Hydrogen_Bond_Donor_Count	1
4269486	Rotatable_Bond_Count	0
88483	Mono_Isotopic_Weight	115.063328530
14535398	Hydrogen_Bond_Acceptor_Count	2
2901	Hydrogen_Bond_Donor_Count	2
8097	TPSA	6.5
229932	Structure_Complexity	139
16058317	Non-hydrogen_Atom_Count	91
33539	Undefined_Atom_Stereo_Count	4
44565799	Undefined_Atom_Stereo_Count	1
21120209	Hydrogen_Bond_Acceptor_Count	7
5011	Isotope_Atom_Count	0
20392754	Defined_Bond_Stereo_Count	0
11154555	Undefined_Bond_Stereo_Count	0
71035	TPSA	47.6
11170934	XLogP3-AA	0.7
52945780	Structure_Complexity	671
9847494	Isotope_Atom_Count	0
44563068	Molecular_Weight	336.4
64000	Mono_Isotopic_Weight	439.11366728
25169382	Rotatable_Bond_Count	3
83938	Total_Formal_Charge	0
20188118	Hydrogen_Bond_Donor_Count	0
21464101	TPSA	29.1
23691029	Tautomer_Count	4
138358	Covalent_Unit_Count	1
5282318	Undefined_Bond_Stereo_Count	0
15938970	Molecular_Weight	783.5
23899	Hydrogen_Bond_Acceptor_Count	7
580566	Covalent_Unit_Count	1
33793	TPSA	40.5
10158453	Undefined_Atom_Stereo_Count	1
27756	Defined_Atom_Stereo_Count	0
23634441	Defined_Atom_Stereo_Count	0
23678979	TPSA	40.1
4651115	TPSA	112
10219373	Covalent_Unit_Count	1
70884982	Mono_Isotopic_Weight	342.11621151
2119	Rotatable_Bond_Count	8
3035442	Structure_Complexity	491
91063960	Total_Formal_Charge	0
893	Undefined_Atom_Stereo_Count	0
45588096	Tautomer_Count	1000
62389	Rotatable_Bond_Count	3
12268621	Isotope_Atom_Count	0
16722832	Rotatable_Bond_Count	8
16074056	Hydrogen_Bond_Donor_Count	2
16205480	Defined_Atom_Stereo_Count	0
1437837	Total_Formal_Charge	0
27368	Mono_Isotopic_Weight	263.188529040
12400910	Hydrogen_Bond_Donor_Count	0
145858	Undefined_Atom_Stereo_Count	0
10909500	Defined_Bond_Stereo_Count	0
6237	Non-hydrogen_Atom_Count	22
60662	Total_Formal_Charge	0
13849	XLogP3	5.8
25181577	Covalent_Unit_Count	1
1150	Defined_Atom_Stereo_Count	0
637511	Molecular_Weight	132.16
282518	Hydrogen_Bond_Acceptor_Count	7
4921934	Total_Formal_Charge	1
411	Molecular_Weight	353.35
137655	TPSA	0
24409	Undefined_Atom_Stereo_Count	0
91820142	Hydrogen_Bond_Acceptor_Count	13
9025	Exact_Mass	138.068079557
11669698	Mono_Isotopic_Weight	456.10564683
15086	Exact_Mass	274.266051085
219104	Structure_Complexity	111
5458201	Undefined_Atom_Stereo_Count	0
91067785	Non-hydrogen_Atom_Count	8
66751253	XLogP3-AA	3.3
69644	Defined_Bond_Stereo_Count	0
14039396	Non-hydrogen_Atom_Count	8
87919798	TPSA	41.8
15940189	Isotope_Atom_Count	0
8168	Structure_Complexity	110
11193842	Non-hydrogen_Atom_Count	32
441348	TPSA	55.6
56672300	TPSA	109
37243	Hydrogen_Bond_Acceptor_Count	1
11607904	Undefined_Atom_Stereo_Count	0
34230	Structure_Complexity	1230
24775	Structure_Complexity	273
20289356	TPSA	49.7
131878633	Defined_Bond_Stereo_Count	0
7891	Structure_Complexity	25.1
25201603	Defined_Atom_Stereo_Count	6
154518370	Total_Formal_Charge	0
12998589	XLogP3-AA	1.5
57280823	Exact_Mass	115.00918496
453326	Exact_Mass	288.0777887
55286501	Structure_Complexity	119
45157716	Defined_Bond_Stereo_Count	0
205	Undefined_Atom_Stereo_Count	2
6455792	TPSA	62.8
36307	Molecular_Weight	273.31
44609168	Molecular_Weight	347.4
54382	Undefined_Bond_Stereo_Count	1
527111	Rotatable_Bond_Count	3
173799	Molecular_Weight	464.5
4767	Structure_Complexity	512
53785673	XLogP3-AA	0.5
3613700	XLogP3	1.9
541660	Isotope_Atom_Count	0
5288075	Non-hydrogen_Atom_Count	54
140830181	Undefined_Bond_Stereo_Count	0
4322479	TPSA	62.7
10007	Isotope_Atom_Count	0
343	Defined_Bond_Stereo_Count	0
2199	XLogP3-AA	0.9
6550	Hydrogen_Bond_Donor_Count	0
60975	Isotope_Atom_Count	0
154306904	TPSA	3
43858	Undefined_Bond_Stereo_Count	0
53479	Isotope_Atom_Count	0
8706	Hydrogen_Bond_Donor_Count	1
7791	Rotatable_Bond_Count	12
638144	Hydrogen_Bond_Acceptor_Count	4
85546	Undefined_Bond_Stereo_Count	0
6875	Defined_Atom_Stereo_Count	0
4302963	Covalent_Unit_Count	1
20475566	Exact_Mass	112.088815002
19604	Defined_Bond_Stereo_Count	0
16759993	Structure_Complexity	457
16073662	Covalent_Unit_Count	1
2076	Non-hydrogen_Atom_Count	40
3613359	Hydrogen_Bond_Donor_Count	1
5362115	Total_Formal_Charge	0
20312802	Exact_Mass	106.078250319
86307	Covalent_Unit_Count	1
21150622	Structure_Complexity	545
56962313	Mono_Isotopic_Weight	443.19573968
24386	Non-hydrogen_Atom_Count	4
18726560	Defined_Atom_Stereo_Count	0
53817503	Undefined_Bond_Stereo_Count	0
81909	XLogP3	2
157736	Molecular_Weight	309.4
16891	Undefined_Bond_Stereo_Count	0
65589	Defined_Atom_Stereo_Count	0
636345	Mono_Isotopic_Weight	880.1479789
88922160	Defined_Bond_Stereo_Count	0
9639	Undefined_Bond_Stereo_Count	0
6335986	Hydrogen_Bond_Donor_Count	3
12636118	Structure_Complexity	39.1
3034394	Defined_Bond_Stereo_Count	0
2595	Defined_Atom_Stereo_Count	0
79633	Structure_Complexity	325
88269708	Defined_Bond_Stereo_Count	0
129853863	Exact_Mass	266.260965704
145705672	Exact_Mass	490.36582469
57401151	Total_Formal_Charge	0
12885796	Rotatable_Bond_Count	4
44134949	Undefined_Bond_Stereo_Count	0
54443523	Mono_Isotopic_Weight	97.052763847
135532928	Isotope_Atom_Count	0
22094	XLogP3-AA	4.7
757	Hydrogen_Bond_Acceptor_Count	3
55287187	Isotope_Atom_Count	0
10267	Structure_Complexity	428
3052776	Hydrogen_Bond_Donor_Count	1
334	Mono_Isotopic_Weight	400.334130642
123243	Non-hydrogen_Atom_Count	6
87609775	Mono_Isotopic_Weight	226.07759887
18757800	Structure_Complexity	126
68184523	Total_Formal_Charge	0
16048622	Isotope_Atom_Count	0
5287407	TPSA	633
2997881	Rotatable_Bond_Count	1
5113487	Defined_Atom_Stereo_Count	0
58376271	Rotatable_Bond_Count	3
257630	Total_Formal_Charge	0
1551246	Defined_Atom_Stereo_Count	0
101944071	Exact_Mass	345.0759302
22054617	Molecular_Weight	169.18
14831302	Molecular_Weight	114.14
2794575	Total_Formal_Charge	0
24201024	Undefined_Bond_Stereo_Count	0
9798437	Hydrogen_Bond_Donor_Count	3
9794126	XLogP3-AA	0.1
2963	Hydrogen_Bond_Acceptor_Count	3
163698895	Hydrogen_Bond_Donor_Count	2
130028471	Rotatable_Bond_Count	2
33263	Rotatable_Bond_Count	5
62705687	Non-hydrogen_Atom_Count	33
6438895	Isotope_Atom_Count	0
6429604	Non-hydrogen_Atom_Count	10
79003661	Non-hydrogen_Atom_Count	8
20907	Hydrogen_Bond_Donor_Count	3
10427712	Exact_Mass	346.11782371
8133	TPSA	29.5
9075	Mono_Isotopic_Weight	157.0658271
53151	Molecular_Weight	120.11
439570	TPSA	17.1
10047141	Hydrogen_Bond_Donor_Count	1
79474	Rotatable_Bond_Count	1
91410	Undefined_Bond_Stereo_Count	0
74408664	Total_Formal_Charge	0
154825555	Undefined_Atom_Stereo_Count	1
2318095	Undefined_Atom_Stereo_Count	0
9951932	Total_Formal_Charge	0
12657448	Defined_Bond_Stereo_Count	0
130143669	Undefined_Atom_Stereo_Count	4
10992	Rotatable_Bond_Count	4
131750204	Exact_Mass	615.0502355
124579	Undefined_Atom_Stereo_Count	0
6950248	Mono_Isotopic_Weight	103.099714038
94402	Total_Formal_Charge	0
72158	XLogP3-AA	5.7
42471	Defined_Bond_Stereo_Count	0
21441185	Isotope_Atom_Count	0
135422442	Defined_Bond_Stereo_Count	0
3927	Structure_Complexity	511
69342023	TPSA	76.7
11698	Covalent_Unit_Count	1
137705114	Defined_Bond_Stereo_Count	0
7096	TPSA	15.3
8946	Undefined_Bond_Stereo_Count	0
236114	Undefined_Atom_Stereo_Count	2
48973	Total_Formal_Charge	0
11104792	Covalent_Unit_Count	1
198253	Molecular_Weight	133.17
2724163	Hydrogen_Bond_Donor_Count	0
9956146	Undefined_Atom_Stereo_Count	0
79724	Hydrogen_Bond_Donor_Count	2
71317118	Exact_Mass	275.13688739
5361090	Exact_Mass	313.204179104
23533306	Rotatable_Bond_Count	4
78148	Non-hydrogen_Atom_Count	6
436906	Isotope_Atom_Count	0
25195346	Undefined_Atom_Stereo_Count	0
20788567	Rotatable_Bond_Count	4
32995	Total_Formal_Charge	0
3337	Covalent_Unit_Count	1
117406	Exact_Mass	192.097041664
71396956	Covalent_Unit_Count	1
7750121	Rotatable_Bond_Count	3
119202	Tautomer_Count	5
16821	Non-hydrogen_Atom_Count	14
24405	Total_Formal_Charge	0
2826	Tautomer_Count	1
14266	Hydrogen_Bond_Donor_Count	0
22257513	TPSA	23.8
6427097	Total_Formal_Charge	0
135532293	Defined_Atom_Stereo_Count	0
10493936	Non-hydrogen_Atom_Count	22
688492	XLogP3-AA	0.5
444455	Covalent_Unit_Count	1
267577	Non-hydrogen_Atom_Count	32
894295	Defined_Atom_Stereo_Count	1
132837	Undefined_Atom_Stereo_Count	0
51763	Non-hydrogen_Atom_Count	16
235303	Hydrogen_Bond_Donor_Count	1
250629	Undefined_Atom_Stereo_Count	0
22728753	Hydrogen_Bond_Donor_Count	2
129672477	Exact_Mass	518.945874
12754038	Undefined_Atom_Stereo_Count	1
24901348	Undefined_Atom_Stereo_Count	0
58335291	Molecular_Weight	98.14
45484139	Undefined_Bond_Stereo_Count	0
14949211	TPSA	12
15739357	Hydrogen_Bond_Donor_Count	0
80311	Tautomer_Count	1
153816117	Molecular_Weight	113.11
14324	Isotope_Atom_Count	0
35766	Non-hydrogen_Atom_Count	36
50878566	Molecular_Weight	306.4
3034023	XLogP3-AA	3.4
21941444	Structure_Complexity	96.4
71733	Molecular_Weight	261.36
88269064	Exact_Mass	113.047678466
11310242	Covalent_Unit_Count	1
8030	Covalent_Unit_Count	1
20387231	Rotatable_Bond_Count	2
190550	Hydrogen_Bond_Donor_Count	2
593919	Undefined_Atom_Stereo_Count	0
12015095	Hydrogen_Bond_Donor_Count	0
7173	Isotope_Atom_Count	0
129711468	Covalent_Unit_Count	1
135491728	Defined_Atom_Stereo_Count	0
66609	Exact_Mass	263.224914549
71517868	Defined_Atom_Stereo_Count	1
46911956	Structure_Complexity	68.5
14988399	Exact_Mass	85.089149355
71302984	Tautomer_Count	1
21155338	Isotope_Atom_Count	0
5388937	XLogP3-AA	4.2
130917941	Rotatable_Bond_Count	3
6713428	Hydrogen_Bond_Acceptor_Count	2
85539715	TPSA	46.5
114681	Undefined_Atom_Stereo_Count	0
69332464	TPSA	51
90581	Tautomer_Count	1
14341511	Tautomer_Count	3
30587	Defined_Atom_Stereo_Count	0
117601215	Undefined_Atom_Stereo_Count	0
58387740	TPSA	9.2
23662025	Tautomer_Count	9
64505	XLogP3-AA	1.8
102102472	Total_Formal_Charge	0
13465027	Defined_Bond_Stereo_Count	0
24995524	Defined_Bond_Stereo_Count	0
59296111	Rotatable_Bond_Count	7
71624685	Molecular_Weight	376.5
222516	Hydrogen_Bond_Donor_Count	2
9915813	Defined_Bond_Stereo_Count	0
4872633	Rotatable_Bond_Count	3
8109	Molecular_Weight	104.15
4232	Undefined_Atom_Stereo_Count	0
2156	Hydrogen_Bond_Donor_Count	1
62254	Tautomer_Count	1
91097771	Molecular_Weight	1202.6
153807932	Undefined_Bond_Stereo_Count	0
92114	Undefined_Atom_Stereo_Count	0
705856	Undefined_Atom_Stereo_Count	0
139079484	TPSA	140
443037	Covalent_Unit_Count	1
12202791	Isotope_Atom_Count	0
17875436	Isotope_Atom_Count	0
7648	Defined_Atom_Stereo_Count	0
5387838	XLogP3-AA	6.1
644076	Hydrogen_Bond_Donor_Count	13
20448997	Covalent_Unit_Count	1
73981	Defined_Atom_Stereo_Count	0
21124737	Hydrogen_Bond_Acceptor_Count	14
45357148	Structure_Complexity	3220
19774759	Exact_Mass	114.079312947
92094	Rotatable_Bond_Count	12
25037407	Non-hydrogen_Atom_Count	30
9458	Mono_Isotopic_Weight	248.02964319
126704391	Hydrogen_Bond_Donor_Count	5
43593	Structure_Complexity	980
163518393	Molecular_Weight	115.13
71624469	Mono_Isotopic_Weight	336.15862589
8778	Hydrogen_Bond_Donor_Count	1
27552	TPSA	27.8
36979	Undefined_Bond_Stereo_Count	0
71517528	Undefined_Bond_Stereo_Count	0
58657603	Undefined_Atom_Stereo_Count	0
5311189	Molecular_Weight	219.32
5281672	Undefined_Bond_Stereo_Count	0
134731361	Hydrogen_Bond_Acceptor_Count	16
472181	Defined_Bond_Stereo_Count	0
4136526	Molecular_Weight	286.26
89790337	Undefined_Atom_Stereo_Count	2
2646	Covalent_Unit_Count	1
11062806	Exact_Mass	168.162648646
9460	Tautomer_Count	1
444683	Total_Formal_Charge	0
116701084	Molecular_Weight	104.15
164575	TPSA	0
44342925	Total_Formal_Charge	0
16767284	Undefined_Atom_Stereo_Count	0
135801111	Structure_Complexity	834
3316	Total_Formal_Charge	0
5282550	Isotope_Atom_Count	0
5359624	Hydrogen_Bond_Donor_Count	0
134593	Structure_Complexity	131
6918155	Non-hydrogen_Atom_Count	39
54260	Hydrogen_Bond_Acceptor_Count	2
59759	Undefined_Bond_Stereo_Count	0
16050834	Molecular_Weight	383.4
91053206	Hydrogen_Bond_Donor_Count	5
90865	Undefined_Bond_Stereo_Count	0
66	Molecular_Weight	163.00
23667634	Defined_Atom_Stereo_Count	4
58988613	Molecular_Weight	118.13
10930422	Defined_Bond_Stereo_Count	0
81093	XLogP3-AA	1.7
133478	Mono_Isotopic_Weight	284.131348519
138026	Structure_Complexity	96.6
303547	Structure_Complexity	129
38316	TPSA	49.3
77050711	Hydrogen_Bond_Acceptor_Count	13
7274	Undefined_Atom_Stereo_Count	0
49769064	Defined_Atom_Stereo_Count	10
11370864	Hydrogen_Bond_Acceptor_Count	2
19077498	XLogP3-AA	4.5
706202	Covalent_Unit_Count	1
153939	Total_Formal_Charge	0
53353	Hydrogen_Bond_Acceptor_Count	1
4369524	Mono_Isotopic_Weight	297.09358328
134107	Tautomer_Count	4
334447	Non-hydrogen_Atom_Count	16
2963764	Covalent_Unit_Count	1
533876	Covalent_Unit_Count	1
77991437	Defined_Atom_Stereo_Count	0
106831	Molecular_Weight	285.5
20542	TPSA	6.5
38642	Hydrogen_Bond_Donor_Count	0
101218360	XLogP3-AA	0.3
18646844	Hydrogen_Bond_Acceptor_Count	11
6451	Hydrogen_Bond_Donor_Count	2
14569053	Exact_Mass	111.043261792
135458645	Molecular_Weight	847.0
36272	Hydrogen_Bond_Acceptor_Count	7
18600476	Defined_Atom_Stereo_Count	10
342378	Covalent_Unit_Count	1
674754	Hydrogen_Bond_Donor_Count	1
81450	Exact_Mass	230.03612798
76321	Covalent_Unit_Count	1
17253	Undefined_Bond_Stereo_Count	0
101100163	Undefined_Bond_Stereo_Count	0
68890784	Isotope_Atom_Count	0
88211	Tautomer_Count	1
71517366	Structure_Complexity	1020
175989	Exact_Mass	650.27927134
1530	Undefined_Bond_Stereo_Count	0
84063996	Structure_Complexity	68.9
18624857	Defined_Bond_Stereo_Count	0
25015694	Hydrogen_Bond_Acceptor_Count	8
3017748	Isotope_Atom_Count	0
12196274	Defined_Atom_Stereo_Count	0
44631903	Hydrogen_Bond_Acceptor_Count	5
76852230	Undefined_Atom_Stereo_Count	1
78979	Non-hydrogen_Atom_Count	7
11742188	Mono_Isotopic_Weight	408.11437830
265520	Rotatable_Bond_Count	0
75227	Defined_Atom_Stereo_Count	0
123585399	Structure_Complexity	117
77987229	Covalent_Unit_Count	1
18393	Structure_Complexity	51.9
4914	Hydrogen_Bond_Acceptor_Count	4
18711507	TPSA	0
1565	Defined_Atom_Stereo_Count	0
14081616	Total_Formal_Charge	0
24860548	TPSA	132
71334656	Structure_Complexity	156
160269	Undefined_Atom_Stereo_Count	0
57662	Covalent_Unit_Count	1
92277	Defined_Bond_Stereo_Count	0
21119819	Exact_Mass	278.10016753
13758358	Defined_Bond_Stereo_Count	0
94906	Exact_Mass	159.068413911
8842	Undefined_Atom_Stereo_Count	1
13012673	Non-hydrogen_Atom_Count	5
705467	Total_Formal_Charge	0
135503538	TPSA	129
2243	Covalent_Unit_Count	1
161805	Rotatable_Bond_Count	1
119058385	Rotatable_Bond_Count	4
156618033	Non-hydrogen_Atom_Count	23
65238	Undefined_Bond_Stereo_Count	0
3614246	Total_Formal_Charge	0
54675842	XLogP3	2.5
3129049	Structure_Complexity	216
90614	TPSA	87.4
7320	Undefined_Atom_Stereo_Count	0
26757	Structure_Complexity	195
6433427	XLogP3	0.7
135410906	Covalent_Unit_Count	1
71365	Isotope_Atom_Count	0
24181476	Molecular_Weight	221.89
446317	Covalent_Unit_Count	1
19604274	Molecular_Weight	192.17
5091	Undefined_Atom_Stereo_Count	16
30292	TPSA	30.7
22386380	Molecular_Weight	121.10
3627	Defined_Atom_Stereo_Count	0
412781	Hydrogen_Bond_Donor_Count	1
5488186	Non-hydrogen_Atom_Count	17
379	Covalent_Unit_Count	1
9153	Undefined_Bond_Stereo_Count	0
13316167	Undefined_Atom_Stereo_Count	0
24672	Exact_Mass	432.99260866
44434	Mono_Isotopic_Weight	262.204513457
64107	Structure_Complexity	684
606	Exact_Mass	238.03547307
2723704	Mono_Isotopic_Weight	90.02516937
53867497	Non-hydrogen_Atom_Count	11
24946104	TPSA	108
137254	Undefined_Atom_Stereo_Count	0
7573	Defined_Bond_Stereo_Count	0
21662703	Exact_Mass	108.068748264
135594347	Rotatable_Bond_Count	5
24776149	Undefined_Atom_Stereo_Count	0
4609	TPSA	76.6
56738	Covalent_Unit_Count	1
5288588	Mono_Isotopic_Weight	298.1236763
54266224	Mono_Isotopic_Weight	100.052429494
2735	Tautomer_Count	1
92894	Defined_Atom_Stereo_Count	3
130368	Rotatable_Bond_Count	3
749	Hydrogen_Bond_Donor_Count	8
44176376	Total_Formal_Charge	1
26049	Total_Formal_Charge	0
129720561	Undefined_Atom_Stereo_Count	0
10477191	Defined_Bond_Stereo_Count	0
80618	Isotope_Atom_Count	0
24181476	Hydrogen_Bond_Donor_Count	1
6420096	Total_Formal_Charge	0
440997	Molecular_Weight	259.15
580518	Undefined_Bond_Stereo_Count	1
10410064	Undefined_Atom_Stereo_Count	0
20969	Hydrogen_Bond_Acceptor_Count	5
43128	Molecular_Weight	235.30
15720326	Non-hydrogen_Atom_Count	12
19784587	Undefined_Atom_Stereo_Count	1
4293	TPSA	180
71449567	Non-hydrogen_Atom_Count	26
426756	Undefined_Bond_Stereo_Count	0
158038961	Hydrogen_Bond_Acceptor_Count	1
140523	Exact_Mass	125.058911855
6914273	TPSA	121
14951968	TPSA	0
752860	Non-hydrogen_Atom_Count	23
53321470	Rotatable_Bond_Count	6
197060	Tautomer_Count	1
73920	Structure_Complexity	754
15678	Isotope_Atom_Count	0
11051583	Molecular_Weight	98.10
137994	Hydrogen_Bond_Acceptor_Count	2
57394836	Covalent_Unit_Count	1
39145	Mono_Isotopic_Weight	98.109550447
101630689	Isotope_Atom_Count	0
627458	Non-hydrogen_Atom_Count	18
3790985	TPSA	66.8
3792	Rotatable_Bond_Count	9
49865732	TPSA	87.9
103563866	Mono_Isotopic_Weight	111.068413911
126251	Defined_Atom_Stereo_Count	0
20055283	Mono_Isotopic_Weight	920.40417981
15191343	Hydrogen_Bond_Donor_Count	2
38988396	Hydrogen_Bond_Donor_Count	2
9934458	Undefined_Atom_Stereo_Count	0
3038497	Defined_Bond_Stereo_Count	0
65341	Hydrogen_Bond_Donor_Count	1
92174	Structure_Complexity	70.7
4048	Total_Formal_Charge	0
10001337	Defined_Bond_Stereo_Count	0
46231497	Hydrogen_Bond_Acceptor_Count	5
23274077	Undefined_Bond_Stereo_Count	0
12358320	Molecular_Weight	267.24
9347	Molecular_Weight	659.0
90915228	Undefined_Bond_Stereo_Count	0
11625818	Exact_Mass	415.15568639
21752	Covalent_Unit_Count	1
159871	Exact_Mass	314.0491912
13813928	Undefined_Bond_Stereo_Count	0
90498	Covalent_Unit_Count	1
5281098	Defined_Bond_Stereo_Count	1
6815	Defined_Bond_Stereo_Count	0
49803313	Exact_Mass	552.35363730
89759530	Defined_Bond_Stereo_Count	0
2762864	Undefined_Bond_Stereo_Count	0
96373	Hydrogen_Bond_Acceptor_Count	7
58938020	Structure_Complexity	63.1
160538	Undefined_Atom_Stereo_Count	1
46917793	Undefined_Bond_Stereo_Count	0
96281	Hydrogen_Bond_Acceptor_Count	4
10462961	Non-hydrogen_Atom_Count	57
9964101	Hydrogen_Bond_Acceptor_Count	3
6453781	Covalent_Unit_Count	1
95609	Undefined_Atom_Stereo_Count	1
8196	Non-hydrogen_Atom_Count	13
10439	Covalent_Unit_Count	1
25256832	Exact_Mass	276.16985928
151177	Molecular_Weight	404.5
9887304	Covalent_Unit_Count	1
61396	Hydrogen_Bond_Donor_Count	1
3525005	Undefined_Atom_Stereo_Count	1
240	Tautomer_Count	2
74944	Total_Formal_Charge	0
69333573	TPSA	42.6
163900	Molecular_Weight	132.16
16224456	Exact_Mass	609.26612791
80296	Hydrogen_Bond_Acceptor_Count	10
6431	Covalent_Unit_Count	1
10855387	Structure_Complexity	119
29728	Rotatable_Bond_Count	5
129600765	Rotatable_Bond_Count	4
69088	Hydrogen_Bond_Acceptor_Count	1
20372730	Molecular_Weight	116.16
523	Defined_Atom_Stereo_Count	0
5997	Isotope_Atom_Count	0
54215450	Non-hydrogen_Atom_Count	7
102258	Covalent_Unit_Count	1
83432	Undefined_Atom_Stereo_Count	0
71464488	Undefined_Atom_Stereo_Count	1
59646259	Mono_Isotopic_Weight	342.11621151
15737685	Exact_Mass	108.057514874
10082421	Rotatable_Bond_Count	7
163316	Hydrogen_Bond_Donor_Count	1
12268624	Non-hydrogen_Atom_Count	8
2723949	Covalent_Unit_Count	1
67284	Hydrogen_Bond_Donor_Count	0
10308091	Rotatable_Bond_Count	4
70141017	Rotatable_Bond_Count	0
4438527	Non-hydrogen_Atom_Count	45
81196	Undefined_Bond_Stereo_Count	0
13262524	Undefined_Atom_Stereo_Count	0
21439250	TPSA	0
88674536	Hydrogen_Bond_Donor_Count	1
6713988	Hydrogen_Bond_Donor_Count	4
117825877	Covalent_Unit_Count	1
13258395	Molecular_Weight	93.08
6469	Isotope_Atom_Count	0
91595261	Exact_Mass	100.100048391
69333782	Hydrogen_Bond_Donor_Count	2
57473636	Exact_Mass	111.068413911
21081761	Total_Formal_Charge	0
5282367	Covalent_Unit_Count	1
103439991	Defined_Bond_Stereo_Count	0
60196377	Structure_Complexity	110
1766	Defined_Bond_Stereo_Count	0
123659755	Covalent_Unit_Count	1
28532	Covalent_Unit_Count	1
25063260	Exact_Mass	565.2013347
89716251	Total_Formal_Charge	0
418940	Undefined_Atom_Stereo_Count	1
520383	Rotatable_Bond_Count	1
1935	Covalent_Unit_Count	1
124093	Total_Formal_Charge	0
68110	Defined_Bond_Stereo_Count	0
5959	Exact_Mass	322.0123269
16129688	Isotope_Atom_Count	0
91820194	Undefined_Bond_Stereo_Count	0
820051	TPSA	65.2
107917	Undefined_Bond_Stereo_Count	0
535535	Undefined_Atom_Stereo_Count	0
7732	Total_Formal_Charge	0
24648	Isotope_Atom_Count	0
73101855	Structure_Complexity	731
6641	Defined_Bond_Stereo_Count	0
13475825	Hydrogen_Bond_Acceptor_Count	2
20497487	Hydrogen_Bond_Donor_Count	0
129712967	Defined_Bond_Stereo_Count	0
23080446	Undefined_Bond_Stereo_Count	0
129628889	Structure_Complexity	285
5417	Covalent_Unit_Count	1
292925	Exact_Mass	164.131348519
33944	Hydrogen_Bond_Acceptor_Count	2
71464713	TPSA	75.2
16049158	Defined_Atom_Stereo_Count	1
135516644	Rotatable_Bond_Count	3
57213264	Defined_Bond_Stereo_Count	0
21723	Structure_Complexity	459
7214	Undefined_Bond_Stereo_Count	1
54151808	Undefined_Bond_Stereo_Count	0
7048533	Exact_Mass	299.04501564
87298	TPSA	15.3
21359608	Hydrogen_Bond_Acceptor_Count	3
11582982	Non-hydrogen_Atom_Count	30
12533	Molecular_Weight	268.5
12202791	Structure_Complexity	30.7
42602095	XLogP3-AA	2.4
83832	Defined_Atom_Stereo_Count	0
57340467	Defined_Bond_Stereo_Count	0
53316406	TPSA	67.4
5487542	Hydrogen_Bond_Acceptor_Count	8
154701841	Non-hydrogen_Atom_Count	29
92174	Non-hydrogen_Atom_Count	7
87700	Undefined_Bond_Stereo_Count	0
20677	Undefined_Bond_Stereo_Count	0
464	Undefined_Atom_Stereo_Count	0
59269371	Exact_Mass	112.052429494
5282219	Undefined_Bond_Stereo_Count	0
156970	Undefined_Bond_Stereo_Count	0
8928	Tautomer_Count	1
135398597	Defined_Atom_Stereo_Count	3
2117002	Total_Formal_Charge	0
172296	XLogP3-AA	4.8
11051591	Exact_Mass	102.068079557
86277	Defined_Bond_Stereo_Count	0
58044790	Exact_Mass	108.068748264
14184222	Non-hydrogen_Atom_Count	8
86170	Covalent_Unit_Count	1
12691392	Undefined_Atom_Stereo_Count	0
5353355	Undefined_Bond_Stereo_Count	0
99435	Covalent_Unit_Count	1
20387239	Exact_Mass	99.104799419
24832095	TPSA	241
11508924	XLogP3-AA	2.3
68094	Isotope_Atom_Count	0
23616740	Covalent_Unit_Count	3
163722493	Mono_Isotopic_Weight	95.073499291
31257	Total_Formal_Charge	0
15810462	Covalent_Unit_Count	1
96316	Rotatable_Bond_Count	2
88069	Mono_Isotopic_Weight	162.031694049
79117667	Hydrogen_Bond_Acceptor_Count	3
71583380	Molecular_Weight	413.5
5016	Non-hydrogen_Atom_Count	23
34502	Undefined_Bond_Stereo_Count	0
71460925	Exact_Mass	583.16818
11398	Exact_Mass	135.104799419
77971	Covalent_Unit_Count	1
91855653	Hydrogen_Bond_Donor_Count	8
13019072	Molecular_Weight	416.6
24441	Defined_Atom_Stereo_Count	0
48289	Tautomer_Count	1
4329	Isotope_Atom_Count	0
7048523	Rotatable_Bond_Count	3
70697506	Total_Formal_Charge	0
24705318	Molecular_Weight	113.16
85821	Defined_Atom_Stereo_Count	0
99850	Defined_Atom_Stereo_Count	0
4671	Isotope_Atom_Count	0
28187	Defined_Bond_Stereo_Count	0
428745	Exact_Mass	386.992045
62558	Isotope_Atom_Count	0
97469	Non-hydrogen_Atom_Count	12
22225791	Isotope_Atom_Count	0
10409873	Tautomer_Count	2
71587288	TPSA	99
22481615	Undefined_Atom_Stereo_Count	2
12697736	TPSA	18.5
15660	Mono_Isotopic_Weight	210.209598838
7811	Exact_Mass	124.03467143
22830	Mono_Isotopic_Weight	308.11609238
6139	Hydrogen_Bond_Acceptor_Count	8
129691409	Molecular_Weight	509.0
13217907	Covalent_Unit_Count	1
6433208	Structure_Complexity	509
23160050	Hydrogen_Bond_Donor_Count	0
12547675	TPSA	26
9812759	TPSA	2
52942447	Molecular_Weight	404.0
5241	Molecular_Weight	597.96
132031748	Exact_Mass	113.047678466
68624	Total_Formal_Charge	0
5284476	Total_Formal_Charge	0
54003766	Defined_Bond_Stereo_Count	0
87481019	Total_Formal_Charge	0
78960	Total_Formal_Charge	0
3702	Undefined_Atom_Stereo_Count	1
661938	Rotatable_Bond_Count	8
72200673	Undefined_Bond_Stereo_Count	0
152031	Structure_Complexity	263
643203	Hydrogen_Bond_Donor_Count	0
2733768	XLogP3-AA	3.6
12747510	Covalent_Unit_Count	1
6537099	Covalent_Unit_Count	1
23535	Exact_Mass	273.172878976
70233	Rotatable_Bond_Count	4
2724118	Molecular_Weight	282.1
128	Isotope_Atom_Count	0
115011064	Exact_Mass	114.068079557
5486971	Total_Formal_Charge	0
3702	Tautomer_Count	2
3844264	Molecular_Weight	381.18
31200	Total_Formal_Charge	0
12576	Isotope_Atom_Count	0
22450077	Rotatable_Bond_Count	3
141187507	Defined_Atom_Stereo_Count	0
108032	Isotope_Atom_Count	0
163418146	Undefined_Bond_Stereo_Count	0
88984133	Total_Formal_Charge	0
11569967	XLogP3-AA	3.2
3037582	Hydrogen_Bond_Acceptor_Count	8
447029	TPSA	70.6
5699	Total_Formal_Charge	0
60144418	Structure_Complexity	378
135410917	Tautomer_Count	4
74904	Defined_Bond_Stereo_Count	0
20515773	Undefined_Bond_Stereo_Count	0
903687	Hydrogen_Bond_Acceptor_Count	4
4255874	Defined_Atom_Stereo_Count	0
20484	Defined_Bond_Stereo_Count	0
585785	Total_Formal_Charge	0
118984454	Hydrogen_Bond_Donor_Count	85
6438373	Defined_Bond_Stereo_Count	1
10051341	Isotope_Atom_Count	0
520902	Molecular_Weight	164.20
656838	Isotope_Atom_Count	0
11765960	XLogP3	1.8
11550876	Total_Formal_Charge	0
4975	XLogP3-AA	1
9846716	Structure_Complexity	961
91986	Defined_Bond_Stereo_Count	0
817122	Defined_Atom_Stereo_Count	0
165542295	XLogP3-AA	0.9
412781	Covalent_Unit_Count	1
14818493	Undefined_Atom_Stereo_Count	0
5460364	Mono_Isotopic_Weight	115.039519081
11954251	Exact_Mass	458.0503696
6628	Total_Formal_Charge	0
92210	Undefined_Atom_Stereo_Count	2
11073376	Structure_Complexity	160
5473310	Defined_Bond_Stereo_Count	0
18684904	Undefined_Bond_Stereo_Count	0
12242919	Exact_Mass	18.0395243770
140377273	Defined_Bond_Stereo_Count	0
68705	XLogP3-AA	4.8
123874	Mono_Isotopic_Weight	215.05587416
20753138	Hydrogen_Bond_Acceptor_Count	0
17549	Covalent_Unit_Count	1
118210244	Undefined_Bond_Stereo_Count	0
48542	Defined_Atom_Stereo_Count	0
159250	Hydrogen_Bond_Donor_Count	6
129676328	Rotatable_Bond_Count	0
23565	Molecular_Weight	403.5
468	TPSA	113
2724333	Mono_Isotopic_Weight	176.03208797
23644194	Undefined_Bond_Stereo_Count	0
550830	Undefined_Atom_Stereo_Count	2
49865859	TPSA	58.4
82412	Undefined_Bond_Stereo_Count	0
59966648	Undefined_Atom_Stereo_Count	2
182069	Undefined_Bond_Stereo_Count	0
6919	Undefined_Bond_Stereo_Count	0
19819	Hydrogen_Bond_Donor_Count	0
18518868	Isotope_Atom_Count	0
12463	Hydrogen_Bond_Acceptor_Count	0
70681	Structure_Complexity	116
78072498	Undefined_Atom_Stereo_Count	2
19814	Isotope_Atom_Count	0
11154544	Hydrogen_Bond_Donor_Count	2
3052776	Structure_Complexity	212
59066	Undefined_Bond_Stereo_Count	0
109640	Isotope_Atom_Count	0
10301	Rotatable_Bond_Count	0
14841958	Total_Formal_Charge	0
20790054	Defined_Atom_Stereo_Count	0
3369	Molecular_Weight	302.73
893563	Molecular_Weight	335.4
130250598	Total_Formal_Charge	0
493570	Hydrogen_Bond_Acceptor_Count	7
5460613	Isotope_Atom_Count	0
159747	Non-hydrogen_Atom_Count	11
9221	Defined_Bond_Stereo_Count	0
81242	Undefined_Bond_Stereo_Count	0
15950518	XLogP3-AA	2.2
10796703	Covalent_Unit_Count	1
129806307	Undefined_Atom_Stereo_Count	3
321	Defined_Atom_Stereo_Count	0
19838	Hydrogen_Bond_Donor_Count	0
7019255	Molecular_Weight	254.4
11105314	Mono_Isotopic_Weight	97.052763847
524409	Covalent_Unit_Count	1
21817601	Defined_Atom_Stereo_Count	0
688044	Structure_Complexity	343
18379	Undefined_Atom_Stereo_Count	0
89155	Exact_Mass	337.07324176
98397	XLogP3-AA	3.5
664081	Undefined_Bond_Stereo_Count	0
6849	Molecular_Weight	173.17
129718862	Defined_Bond_Stereo_Count	0
124246	Total_Formal_Charge	0
323185	Undefined_Bond_Stereo_Count	0
46885189	Mono_Isotopic_Weight	437.0866369
89976630	Molecular_Weight	107.11
997	Non-hydrogen_Atom_Count	12
185495	Hydrogen_Bond_Donor_Count	0
11513929	Rotatable_Bond_Count	0
706285	TPSA	49.3
118121642	Non-hydrogen_Atom_Count	8
277767	Defined_Bond_Stereo_Count	0
329	Hydrogen_Bond_Donor_Count	4
6918524	Defined_Bond_Stereo_Count	0
4971	Isotope_Atom_Count	0
77245	Covalent_Unit_Count	1
20320770	XLogP3-AA	3.4
26470411	Defined_Atom_Stereo_Count	10
74411	Undefined_Bond_Stereo_Count	0
25008940	Non-hydrogen_Atom_Count	36
14502695	Molecular_Weight	109.17
9597	Undefined_Atom_Stereo_Count	0
81592	Hydrogen_Bond_Acceptor_Count	2
86811213	Undefined_Atom_Stereo_Count	1
441350	Undefined_Bond_Stereo_Count	0
79037	Covalent_Unit_Count	1
10931394	XLogP3-AA	0.2
6175	Defined_Atom_Stereo_Count	4
41679	Non-hydrogen_Atom_Count	15
101605498	Hydrogen_Bond_Donor_Count	2
9841240	Mono_Isotopic_Weight	348.14739250
12810	Exact_Mass	170.130679813
129010338	Mono_Isotopic_Weight	416.32904526
793	Mono_Isotopic_Weight	156.05349212
44134949	Non-hydrogen_Atom_Count	95
10417847	Defined_Atom_Stereo_Count	0
8119	Isotope_Atom_Count	0
136224833	Non-hydrogen_Atom_Count	69
17747637	Mono_Isotopic_Weight	109.016378338
6918282	Molecular_Weight	489.0
11715166	Undefined_Atom_Stereo_Count	0
84063983	Hydrogen_Bond_Acceptor_Count	2
3842125	Covalent_Unit_Count	1
40550	Undefined_Atom_Stereo_Count	0
6917733	Rotatable_Bond_Count	14
54726192	Non-hydrogen_Atom_Count	40
71751553	Molecular_Weight	396.3
6433198	Molecular_Weight	830.3
447362	XLogP3-AA	2.8
198231	Molecular_Weight	189.25
7098617	TPSA	190
12059918	Mono_Isotopic_Weight	128.143924578
6834	Hydrogen_Bond_Acceptor_Count	2
337310	XLogP3-AA	0.2
92921	TPSA	94.8
3058221	Non-hydrogen_Atom_Count	23
32798	TPSA	80.7
122820	Isotope_Atom_Count	0
9793710	Rotatable_Bond_Count	0
69389	Hydrogen_Bond_Acceptor_Count	1
60167543	Hydrogen_Bond_Acceptor_Count	9
10964453	Molecular_Weight	114.19
18597	Tautomer_Count	9
18521191	Total_Formal_Charge	0
11358436	Non-hydrogen_Atom_Count	22
43262	TPSA	80.6
10384666	Structure_Complexity	556
31953	Undefined_Atom_Stereo_Count	0
201136	Structure_Complexity	211
70678245	Hydrogen_Bond_Acceptor_Count	9
86384	Defined_Bond_Stereo_Count	0
24848235	Undefined_Bond_Stereo_Count	0
4062	Mono_Isotopic_Weight	246.173213330
118209567	Covalent_Unit_Count	1
6918289	Defined_Atom_Stereo_Count	15
11772257	Total_Formal_Charge	0
87586559	Molecular_Weight	111.14
44339100	Undefined_Bond_Stereo_Count	0
65834	XLogP3-AA	3.9
7156	Undefined_Atom_Stereo_Count	0
119025724	Undefined_Bond_Stereo_Count	0
51425	Defined_Atom_Stereo_Count	0
11958189	XLogP3-AA	1.4
5287571	Undefined_Bond_Stereo_Count	0
34040	Isotope_Atom_Count	0
10900	Hydrogen_Bond_Donor_Count	0
126606082	Rotatable_Bond_Count	0
140511	Covalent_Unit_Count	1
5473310	Defined_Atom_Stereo_Count	0
572331	Exact_Mass	149.120449483
3586	Total_Formal_Charge	0
9102	Total_Formal_Charge	0
44567097	Total_Formal_Charge	0
66295	Exact_Mass	84.057514874
58750499	Structure_Complexity	120
9800339	Isotope_Atom_Count	0
3050428	XLogP3-AA	2.9
146993530	Hydrogen_Bond_Donor_Count	0
12743050	Structure_Complexity	121
101	Isotope_Atom_Count	0
91214254	Covalent_Unit_Count	1
3002003	Non-hydrogen_Atom_Count	24
18954	Undefined_Atom_Stereo_Count	0
114835	Non-hydrogen_Atom_Count	8
943	Tautomer_Count	1
62572	Rotatable_Bond_Count	4
3000506	Isotope_Atom_Count	0
60695	Molecular_Weight	609.7
3000825	Molecular_Weight	324.4
460129	Undefined_Atom_Stereo_Count	0
11232	Isotope_Atom_Count	0
59059041	Covalent_Unit_Count	1
96273	Isotope_Atom_Count	0
60569	Undefined_Bond_Stereo_Count	0
3267	Defined_Atom_Stereo_Count	0
16113206	Undefined_Atom_Stereo_Count	0
23672064	Undefined_Bond_Stereo_Count	0
2724552	Defined_Bond_Stereo_Count	0
92043367	Exact_Mass	187.10732532
21779240	Tautomer_Count	2
9901	Mono_Isotopic_Weight	312.208930132
9887884	Non-hydrogen_Atom_Count	31
1097	Undefined_Bond_Stereo_Count	4
31515	Molecular_Weight	293.08
5354133	Defined_Bond_Stereo_Count	1
91260	Defined_Atom_Stereo_Count	0
58645437	Non-hydrogen_Atom_Count	8
5282517	Isotope_Atom_Count	0
134495	Hydrogen_Bond_Acceptor_Count	4
11627212	Molecular_Weight	484.6
9837656	Molecular_Weight	241.28
89138284	XLogP3-AA	1.8
10866248	Defined_Bond_Stereo_Count	0
79619	Tautomer_Count	1
5312137	Undefined_Atom_Stereo_Count	0
5362833	Hydrogen_Bond_Donor_Count	1
46229348	Undefined_Bond_Stereo_Count	0
21823262	Non-hydrogen_Atom_Count	6
9841233	Hydrogen_Bond_Acceptor_Count	4
69272932	Isotope_Atom_Count	0
6867	Defined_Atom_Stereo_Count	0
42291	Covalent_Unit_Count	1
6918558	Undefined_Bond_Stereo_Count	0
7243	Total_Formal_Charge	0
676243	Structure_Complexity	409
15009279	Total_Formal_Charge	0
22084396	Undefined_Bond_Stereo_Count	0
3262018	Hydrogen_Bond_Acceptor_Count	3
3033767	Undefined_Atom_Stereo_Count	0
103032	Defined_Bond_Stereo_Count	0
23293	Hydrogen_Bond_Donor_Count	2
970	Non-hydrogen_Atom_Count	9
71986	Defined_Bond_Stereo_Count	0
57400027	Mono_Isotopic_Weight	351.137162174
4234	Molecular_Weight	678.8
14067296	Hydrogen_Bond_Acceptor_Count	1
69601	Rotatable_Bond_Count	1
54194114	Undefined_Bond_Stereo_Count	0
13155261	Covalent_Unit_Count	1
28264	Non-hydrogen_Atom_Count	8
1548943	Total_Formal_Charge	0
71648	Undefined_Atom_Stereo_Count	0
3015773	Total_Formal_Charge	0
12518095	Undefined_Atom_Stereo_Count	0
78295	Exact_Mass	206.0134572
2723772	Tautomer_Count	3
1201549	Exact_Mass	307.193614421
13485	Undefined_Atom_Stereo_Count	0
88890036	Covalent_Unit_Count	1
5328126	Tautomer_Count	14
74736	Covalent_Unit_Count	1
11442891	Structure_Complexity	731
145994360	Hydrogen_Bond_Acceptor_Count	11
14022517	Defined_Atom_Stereo_Count	0
7814	Covalent_Unit_Count	1
3034034	Hydrogen_Bond_Acceptor_Count	4
136257950	XLogP3-AA	4.7
44539266	Rotatable_Bond_Count	9
163600703	Molecular_Weight	113.16
21027022	Structure_Complexity	209
12769779	Exact_Mass	127.06088375
68871	TPSA	12.5
14366842	Structure_Complexity	40.7
122685	Hydrogen_Bond_Acceptor_Count	12
519275	Defined_Bond_Stereo_Count	0
16141	Hydrogen_Bond_Donor_Count	0
131	Exact_Mass	299.07700353
443387	Molecular_Weight	389.5
475930	TPSA	99.1
6334	XLogP3-AA	1.8
56677275	TPSA	100
18430414	Covalent_Unit_Count	1
123831	Defined_Atom_Stereo_Count	1
6437352	Hydrogen_Bond_Acceptor_Count	5
3274	Isotope_Atom_Count	0
123840	Isotope_Atom_Count	0
12386877	Undefined_Bond_Stereo_Count	0
53884785	TPSA	38.7
461279	Rotatable_Bond_Count	6
60196262	Defined_Atom_Stereo_Count	13
3086576	TPSA	64.6
606817	Molecular_Weight	211.13
31202	Exact_Mass	395.3318782
12592	Non-hydrogen_Atom_Count	24
11358077	Tautomer_Count	1
93171	Total_Formal_Charge	0
6324599	Covalent_Unit_Count	2
21709689	Non-hydrogen_Atom_Count	15
23581796	Undefined_Bond_Stereo_Count	1
9820034	Total_Formal_Charge	0
6375	Undefined_Bond_Stereo_Count	0
7252	Covalent_Unit_Count	1
11215	Rotatable_Bond_Count	2
3652	Rotatable_Bond_Count	9
81762	Isotope_Atom_Count	0
1208	Structure_Complexity	280
2760056	Tautomer_Count	4
1047	Rotatable_Bond_Count	1
9863552	Hydrogen_Bond_Donor_Count	2
129631814	Covalent_Unit_Count	1
15276695	Isotope_Atom_Count	0
20723390	Defined_Atom_Stereo_Count	0
90942710	XLogP3-AA	3.4
4411	Undefined_Atom_Stereo_Count	3
11768551	Hydrogen_Bond_Acceptor_Count	2
5288596	Total_Formal_Charge	0
13049377	Mono_Isotopic_Weight	114.068079557
254	Covalent_Unit_Count	1
39214	Undefined_Bond_Stereo_Count	0
12580406	Undefined_Bond_Stereo_Count	0
53462066	Molecular_Weight	290.27
9262	Rotatable_Bond_Count	0
406793	Mono_Isotopic_Weight	527.23843356
12713	Non-hydrogen_Atom_Count	14
2541	Hydrogen_Bond_Acceptor_Count	7
123467456	Mono_Isotopic_Weight	116.083729621
124838013	Non-hydrogen_Atom_Count	59
21343371	Mono_Isotopic_Weight	84.057514874
968951	Total_Formal_Charge	0
9989237	Undefined_Bond_Stereo_Count	0
3171	Mono_Isotopic_Weight	213.06372245
242436	Structure_Complexity	487
917	Undefined_Atom_Stereo_Count	1
21769	Isotope_Atom_Count	0
119307	TPSA	140
44560668	Molecular_Weight	401.5
57215030	Mono_Isotopic_Weight	108.057514874
10109058	Undefined_Atom_Stereo_Count	0
34697	Molecular_Weight	390.5
10019998	Defined_Bond_Stereo_Count	0
22717649	Total_Formal_Charge	0
24883429	Undefined_Atom_Stereo_Count	0
10868	Non-hydrogen_Atom_Count	15
91185	TPSA	41.8
398737	TPSA	47.1
6779	Defined_Atom_Stereo_Count	0
3825	Isotope_Atom_Count	0
20601610	Defined_Atom_Stereo_Count	0
219050	Exact_Mass	346.204513457
6328144	Defined_Atom_Stereo_Count	0
9266	Defined_Atom_Stereo_Count	0
76736	Tautomer_Count	1
103875	Tautomer_Count	1
12907914	TPSA	0
586	Exact_Mass	131.069476538
22280308	Mono_Isotopic_Weight	96.043596145
1179	Structure_Complexity	1630
3239235	Defined_Bond_Stereo_Count	0
6842999	Non-hydrogen_Atom_Count	19
96160	Structure_Complexity	47.9
71434160	Undefined_Atom_Stereo_Count	5
123448160	Defined_Atom_Stereo_Count	0
96796	Covalent_Unit_Count	1
5388880	Structure_Complexity	0
7156900	Defined_Bond_Stereo_Count	0
91635	Non-hydrogen_Atom_Count	18
72388	Total_Formal_Charge	0
67628	TPSA	26.3
6445540	TPSA	140
11340940	Non-hydrogen_Atom_Count	34
95763	Exact_Mass	245.0065981
32307	Hydrogen_Bond_Donor_Count	1
20568258	Undefined_Bond_Stereo_Count	0
13718	Exact_Mass	221.141578849
5364971	Covalent_Unit_Count	1
23677960	Undefined_Bond_Stereo_Count	0
23630065	Molecular_Weight	337.4
15166	Total_Formal_Charge	0
19954	Hydrogen_Bond_Acceptor_Count	4
123891134	Covalent_Unit_Count	1
6991	TPSA	45.8
8588	Molecular_Weight	210.27
57420151	Isotope_Atom_Count	0
44187	Total_Formal_Charge	0
71484	Molecular_Weight	606.6
1364	Hydrogen_Bond_Acceptor_Count	8
447153	TPSA	20.2
25522	Isotope_Atom_Count	0
8096	Total_Formal_Charge	0
21474	Exact_Mass	230.105527694
6918335	Rotatable_Bond_Count	11
2386	Undefined_Atom_Stereo_Count	0
17845830	Exact_Mass	113.058911855
632835	Structure_Complexity	630
13434377	Rotatable_Bond_Count	5
9823	Hydrogen_Bond_Acceptor_Count	3
4090	Rotatable_Bond_Count	5
59665343	Hydrogen_Bond_Donor_Count	3
26596	Defined_Atom_Stereo_Count	0
10897645	Defined_Bond_Stereo_Count	0
86855	Structure_Complexity	66.8
3957	Rotatable_Bond_Count	2
76189844	TPSA	116
12847948	Exact_Mass	111.079647300
55286536	Isotope_Atom_Count	0
613365	Total_Formal_Charge	0
701198	Non-hydrogen_Atom_Count	20
4598	Exact_Mass	400.26135963
130845868	Covalent_Unit_Count	1
4630	Undefined_Bond_Stereo_Count	0
22976356	Non-hydrogen_Atom_Count	10
95308	Exact_Mass	129.078978594
66840	Molecular_Weight	244.04
46942	Undefined_Atom_Stereo_Count	1
16058629	Defined_Atom_Stereo_Count	0
101417452	Covalent_Unit_Count	5
20713453	Exact_Mass	115.063328530
518966	Mono_Isotopic_Weight	80.062600255
4928	Mono_Isotopic_Weight	225.15896025
21954793	Total_Formal_Charge	0
21594228	Molecular_Weight	532.7
484990	Defined_Atom_Stereo_Count	0
154517172	Mono_Isotopic_Weight	97.089149355
455579	Undefined_Atom_Stereo_Count	0
119096545	Hydrogen_Bond_Acceptor_Count	2
12231	Undefined_Bond_Stereo_Count	0
82505	Defined_Bond_Stereo_Count	0
5069	Covalent_Unit_Count	1
6429604	Exact_Mass	138.140850574
18980946	Isotope_Atom_Count	0
70257	XLogP3-AA	3.5
11634725	Covalent_Unit_Count	1
13240377	Rotatable_Bond_Count	3
16664822	TPSA	40.5
57548589	Total_Formal_Charge	0
12416	Rotatable_Bond_Count	0
6437875	Undefined_Atom_Stereo_Count	1
46193078	Non-hydrogen_Atom_Count	20
9097	Total_Formal_Charge	0
123698	TPSA	20.3
32	Isotope_Atom_Count	0
71221	Isotope_Atom_Count	0
66249	Undefined_Bond_Stereo_Count	0
3033984	Exact_Mass	366.13617637
17171354	Undefined_Atom_Stereo_Count	0
57888	Hydrogen_Bond_Donor_Count	2
158980	Isotope_Atom_Count	0
10178	Total_Formal_Charge	0
123561422	Molecular_Weight	86.14
200213	Defined_Bond_Stereo_Count	0
10753	Exact_Mass	253.01572689
1232	Defined_Bond_Stereo_Count	0
63033	Molecular_Weight	499.0
6948	Isotope_Atom_Count	0
4017	Hydrogen_Bond_Donor_Count	18
14197638	TPSA	26
5177120	Molecular_Weight	115.11
3718	Hydrogen_Bond_Donor_Count	1
9949821	Molecular_Weight	340.3
12727651	Non-hydrogen_Atom_Count	7
8888	Undefined_Bond_Stereo_Count	1
121827	Total_Formal_Charge	0
6427079	Total_Formal_Charge	0
5551	XLogP3-AA	7.9
535813	Covalent_Unit_Count	1
5071	Undefined_Atom_Stereo_Count	1
3854666	Rotatable_Bond_Count	2
59296066	Isotope_Atom_Count	0
133109022	Defined_Atom_Stereo_Count	6
86389	Non-hydrogen_Atom_Count	26
63825	Non-hydrogen_Atom_Count	24
12617365	Exact_Mass	415.0741989
17458	Molecular_Weight	386.4
11535547	Mono_Isotopic_Weight	98.036779430
3001055	Structure_Complexity	347
5464084	Tautomer_Count	1
53678373	Rotatable_Bond_Count	0
53681289	Molecular_Weight	102.14
10920441	Exact_Mass	72.021129366
439616	Exact_Mass	152.047344113
12661198	Rotatable_Bond_Count	1
12313416	Defined_Atom_Stereo_Count	9
147856	Isotope_Atom_Count	0
4086	Covalent_Unit_Count	1
9571003	Undefined_Bond_Stereo_Count	0
38253	Hydrogen_Bond_Acceptor_Count	2
24456	TPSA	173
3708	Exact_Mass	342.03104260
57394706	Defined_Atom_Stereo_Count	0
143574502	Covalent_Unit_Count	1
6011	Covalent_Unit_Count	1
15812317	Non-hydrogen_Atom_Count	7
415267	Hydrogen_Bond_Donor_Count	0
16051586	Molecular_Weight	394.5
77927	Defined_Bond_Stereo_Count	0
135459219	Structure_Complexity	415
11715766	Defined_Bond_Stereo_Count	0
21828691	Rotatable_Bond_Count	1
611945	Exact_Mass	230.149077236
6957673	XLogP3-AA	3.3
163276613	Rotatable_Bond_Count	1
42599603	Covalent_Unit_Count	1
94932	Structure_Complexity	209
19065710	TPSA	57.5
91612585	Undefined_Bond_Stereo_Count	0
16129759	Molecular_Weight	2165.6
441332	TPSA	98
62347	Hydrogen_Bond_Acceptor_Count	2
10824	Undefined_Bond_Stereo_Count	0
16767378	Structure_Complexity	175
119047	Hydrogen_Bond_Donor_Count	0
17208	TPSA	0
11953960	Rotatable_Bond_Count	8
48000	Exact_Mass	696.34642666
9905875	Mono_Isotopic_Weight	338.11879497
44443939	Defined_Bond_Stereo_Count	0
12739608	XLogP3-AA	2.8
87298	Structure_Complexity	124
73425380	Total_Formal_Charge	0
7750121	Non-hydrogen_Atom_Count	21
59966628	Exact_Mass	416.32904526
12598	Tautomer_Count	2
71455485	Molecular_Weight	498.0
2955	Isotope_Atom_Count	0
51629	Hydrogen_Bond_Acceptor_Count	3
134688993	TPSA	74.6
46203139	Defined_Atom_Stereo_Count	9
91440	Covalent_Unit_Count	1
721979	TPSA	84.9
12519786	Undefined_Bond_Stereo_Count	0
3105	Undefined_Bond_Stereo_Count	0
134687906	Hydrogen_Bond_Acceptor_Count	16
7571	Rotatable_Bond_Count	4
19633	Rotatable_Bond_Count	6
6083100	Rotatable_Bond_Count	2
57394195	Exact_Mass	457.25294081
10618	Defined_Bond_Stereo_Count	0
11093674	Isotope_Atom_Count	0
9568077	Covalent_Unit_Count	1
656598	XLogP3	1.8
649230	Hydrogen_Bond_Donor_Count	0
409746	Rotatable_Bond_Count	1
65084	Structure_Complexity	380
90470403	Non-hydrogen_Atom_Count	13
5282198	Undefined_Atom_Stereo_Count	0
5460044	Tautomer_Count	1
457801	Mono_Isotopic_Weight	414.386166214
19217	Non-hydrogen_Atom_Count	10
53847404	Defined_Bond_Stereo_Count	0
541	Structure_Complexity	156
71820	Tautomer_Count	1
3658056	Defined_Atom_Stereo_Count	0
85255	Defined_Atom_Stereo_Count	0
443831	Undefined_Atom_Stereo_Count	0
11869222	Undefined_Bond_Stereo_Count	0
6432437	Rotatable_Bond_Count	1
76192	Mono_Isotopic_Weight	203.9744848
80790	Non-hydrogen_Atom_Count	12
2064030	Defined_Atom_Stereo_Count	0
22836366	Total_Formal_Charge	0
10473927	Hydrogen_Bond_Acceptor_Count	4
6432640	Defined_Atom_Stereo_Count	1
9841863	XLogP3-AA	4.6
9084	Molecular_Weight	102.05
76324338	Non-hydrogen_Atom_Count	59
46856340	Covalent_Unit_Count	3
25526	Covalent_Unit_Count	1
54187438	Structure_Complexity	74.2
2161	Covalent_Unit_Count	1
315411	Total_Formal_Charge	0
9867	Non-hydrogen_Atom_Count	4
56604930	Hydrogen_Bond_Acceptor_Count	1
75846	Mono_Isotopic_Weight	220.01289061
11198850	Defined_Bond_Stereo_Count	0
149127983	Defined_Bond_Stereo_Count	0
129664081	Isotope_Atom_Count	0
6737	XLogP3-AA	2.6
51712	TPSA	52.6
19756	Molecular_Weight	184.19
79619	TPSA	30
11378364	Rotatable_Bond_Count	26
70693263	TPSA	89.2
60050	Hydrogen_Bond_Acceptor_Count	4
12335	Undefined_Bond_Stereo_Count	0
18510	Mono_Isotopic_Weight	226.193280068
3782034	Defined_Bond_Stereo_Count	0
11148955	Isotope_Atom_Count	0
439554	Undefined_Atom_Stereo_Count	0
3350	Hydrogen_Bond_Donor_Count	2
5362487	Exact_Mass	31.97207117
146159220	Covalent_Unit_Count	1
102533943	XLogP3-AA	0.2
19458	Mono_Isotopic_Weight	473.94157537
398747	Covalent_Unit_Count	1
101707094	Undefined_Bond_Stereo_Count	0
70301	Molecular_Weight	150.18
41968	Covalent_Unit_Count	1
129833854	Hydrogen_Bond_Acceptor_Count	7
720364	Defined_Bond_Stereo_Count	0
9795291	Isotope_Atom_Count	0
23665728	Defined_Bond_Stereo_Count	0
65624	Hydrogen_Bond_Donor_Count	0
53555	Rotatable_Bond_Count	5
10772947	Structure_Complexity	133
76673	Defined_Bond_Stereo_Count	0
6602188	Total_Formal_Charge	0
32169	Defined_Bond_Stereo_Count	0
61208	Hydrogen_Bond_Donor_Count	0
164767	TPSA	92.2
54680694	Hydrogen_Bond_Donor_Count	6
15093812	Undefined_Bond_Stereo_Count	0
12669582	TPSA	9.2
23103	Molecular_Weight	191.23
29656	Defined_Atom_Stereo_Count	0
56672298	Mono_Isotopic_Weight	405.12594604
7476	Total_Formal_Charge	0
4904109	TPSA	73.2
44176403	Hydrogen_Bond_Donor_Count	0
54343396	Non-hydrogen_Atom_Count	7
16211417	Hydrogen_Bond_Acceptor_Count	1
394156	Structure_Complexity	282
6871	Rotatable_Bond_Count	8
12210504	Defined_Atom_Stereo_Count	0
23677058	Mono_Isotopic_Weight	276.09084324
7093	XLogP3	3.4
185457	Covalent_Unit_Count	1
18730080	Defined_Bond_Stereo_Count	0
137942834	Molecular_Weight	101.15
39622	Covalent_Unit_Count	1
108352	Molecular_Weight	779.0
15122078	Isotope_Atom_Count	0
86705695	Isotope_Atom_Count	0
2733526	Structure_Complexity	463
9570985	TPSA	297
15337	Defined_Bond_Stereo_Count	0
12394846	Defined_Atom_Stereo_Count	0
8012	Mono_Isotopic_Weight	90.05032149
6914821	Total_Formal_Charge	0
3392032	Undefined_Bond_Stereo_Count	0
91411367	Defined_Atom_Stereo_Count	0
530422	Covalent_Unit_Count	1
7571	Non-hydrogen_Atom_Count	17
80085	Defined_Atom_Stereo_Count	0
10772953	Hydrogen_Bond_Donor_Count	2
5284409	Structure_Complexity	350
71482	Hydrogen_Bond_Acceptor_Count	7
77037484	TPSA	41.8
68783	Total_Formal_Charge	0
3208	Defined_Bond_Stereo_Count	0
51397006	Non-hydrogen_Atom_Count	26
136655	Defined_Bond_Stereo_Count	0
91759532	Molecular_Weight	190.32
53694476	Non-hydrogen_Atom_Count	8
69507	Exact_Mass	260.02971899
97226	Undefined_Bond_Stereo_Count	0
130026605	Exact_Mass	94.041864811
925642	Mono_Isotopic_Weight	231.11201006
9934347	Non-hydrogen_Atom_Count	33
644078	Mono_Isotopic_Weight	568.50667527
18518868	Covalent_Unit_Count	2
67247971	Molecular_Weight	406.4
11700495	Defined_Atom_Stereo_Count	0
56974851	Rotatable_Bond_Count	3
61660	Exact_Mass	156.02450067
17950293	Mono_Isotopic_Weight	102.0469501914
11527774	Non-hydrogen_Atom_Count	38
653473	Total_Formal_Charge	0
44283095	Rotatable_Bond_Count	2
129747104	Total_Formal_Charge	0
51683	Hydrogen_Bond_Donor_Count	3
60154330	Covalent_Unit_Count	1
8418	XLogP3	4.4
2215	Hydrogen_Bond_Donor_Count	2
90248267	Rotatable_Bond_Count	3
70516989	Non-hydrogen_Atom_Count	7
2430	Total_Formal_Charge	0
21187507	Undefined_Atom_Stereo_Count	0
12596780	Covalent_Unit_Count	1
5373493	Exact_Mass	156.01710661
519599	Non-hydrogen_Atom_Count	11
466151	Exact_Mass	423.09226313
2734956	Mono_Isotopic_Weight	159.0450916
44580386	Structure_Complexity	737
339392	Mono_Isotopic_Weight	113.03892530
9844225	Covalent_Unit_Count	2
10963	Tautomer_Count	1
25042	Isotope_Atom_Count	0
520847	Structure_Complexity	64.1
3067	Mono_Isotopic_Weight	561.29511936
44445387	TPSA	79
3230	Mono_Isotopic_Weight	470.33960994
55286536	Hydrogen_Bond_Donor_Count	2
7773	Exact_Mass	398.33960994
64017	Hydrogen_Bond_Acceptor_Count	6
90876488	Undefined_Bond_Stereo_Count	0
320	Isotope_Atom_Count	0
105024	Exact_Mass	196.99550
611446	Undefined_Bond_Stereo_Count	0
123173	Exact_Mass	40.0313001276
44412186	XLogP3-AA	4.1
139062526	Non-hydrogen_Atom_Count	20
6271	TPSA	37.3
69421	Total_Formal_Charge	0
208916	Covalent_Unit_Count	1
25335	Mono_Isotopic_Weight	199.157228913
60183	Total_Formal_Charge	0
16685262	Total_Formal_Charge	0
5459844	Hydrogen_Bond_Donor_Count	1
3570	Mono_Isotopic_Weight	353.116426730
13163973	Rotatable_Bond_Count	1
13976498	TPSA	0
2733293	Non-hydrogen_Atom_Count	7
57401681	XLogP3-AA	5
40466862	Hydrogen_Bond_Acceptor_Count	6
54688706	Hydrogen_Bond_Acceptor_Count	12
627254	Defined_Bond_Stereo_Count	0
443600	TPSA	119
413544	Non-hydrogen_Atom_Count	21
6977134	Non-hydrogen_Atom_Count	14
91497276	Covalent_Unit_Count	1
13698369	Undefined_Bond_Stereo_Count	0
4686862	Undefined_Bond_Stereo_Count	0
37873	Non-hydrogen_Atom_Count	6
46883935	Mono_Isotopic_Weight	378.12921747
83059	Total_Formal_Charge	0
83201	Exact_Mass	338.1163980
10017019	Defined_Bond_Stereo_Count	0
154044	Hydrogen_Bond_Acceptor_Count	5
83639	Structure_Complexity	224
86308705	Isotope_Atom_Count	0
31404	Covalent_Unit_Count	1
60857	Defined_Atom_Stereo_Count	1
138891	Undefined_Bond_Stereo_Count	0
5462508	Covalent_Unit_Count	1
90779122	Undefined_Bond_Stereo_Count	0
90206	Exact_Mass	294.20423867
5778	Defined_Atom_Stereo_Count	0
636399	Undefined_Atom_Stereo_Count	1
82295	TPSA	142
66509091	Mono_Isotopic_Weight	915.51914999
9810773	Undefined_Bond_Stereo_Count	0
1603	Isotope_Atom_Count	0
44451124	Total_Formal_Charge	0
11344000	XLogP3-AA	0.7
9898619	Undefined_Bond_Stereo_Count	0
57402653	Non-hydrogen_Atom_Count	26
14443	Hydrogen_Bond_Acceptor_Count	6
449169	Hydrogen_Bond_Donor_Count	2
231756	Total_Formal_Charge	0
72200409	Defined_Bond_Stereo_Count	0
6518103	Undefined_Bond_Stereo_Count	0
11668120	Defined_Bond_Stereo_Count	0
114523	Total_Formal_Charge	0
2581	Hydrogen_Bond_Donor_Count	2
16217852	XLogP3-AA	0.4
58496428	Structure_Complexity	732
101176453	Total_Formal_Charge	0
22291085	Mono_Isotopic_Weight	522.22670545
656777	Undefined_Atom_Stereo_Count	0
57564	Hydrogen_Bond_Donor_Count	0
2852	Hydrogen_Bond_Acceptor_Count	6
44224131	Mono_Isotopic_Weight	376.0760747
66978	Defined_Atom_Stereo_Count	0
625239	Molecular_Weight	285.3
60196323	Exact_Mass	392.1689124
6445530	Molecular_Weight	310.4
75310475	Rotatable_Bond_Count	10
12285878	Undefined_Bond_Stereo_Count	0
5282181	Structure_Complexity	643
136394	Tautomer_Count	1
60196333	Undefined_Bond_Stereo_Count	0
547995	Exact_Mass	102.115698455
681133	Non-hydrogen_Atom_Count	22
21677822	Hydrogen_Bond_Donor_Count	0
51029964	Isotope_Atom_Count	0
71266	Structure_Complexity	578
45278337	Mono_Isotopic_Weight	421.28983728
4185	TPSA	164
70454767	Hydrogen_Bond_Acceptor_Count	2
74319	Undefined_Atom_Stereo_Count	0
521593	Defined_Atom_Stereo_Count	0
90127662	Exact_Mass	112.088815002
7473	Undefined_Bond_Stereo_Count	0
83476	Structure_Complexity	146
50964	TPSA	27.7
104048363	Hydrogen_Bond_Donor_Count	2
71436	Non-hydrogen_Atom_Count	33
10082421	Total_Formal_Charge	0
1484500	XLogP3-AA	1.4
79323706	Covalent_Unit_Count	1
4938	Isotope_Atom_Count	0
5359271	Mono_Isotopic_Weight	313.16779360
66908038	Non-hydrogen_Atom_Count	7
3086400	Rotatable_Bond_Count	7
5326159	Structure_Complexity	42
267577	Isotope_Atom_Count	0
58599	Non-hydrogen_Atom_Count	22
14897389	Mono_Isotopic_Weight	114.031694049
3083020	Rotatable_Bond_Count	0
9846588	Structure_Complexity	573
12836760	Hydrogen_Bond_Acceptor_Count	3
24846	Molecular_Weight	164.14
96354	Rotatable_Bond_Count	7
1420	Rotatable_Bond_Count	12
3567233	Rotatable_Bond_Count	2
11234	Non-hydrogen_Atom_Count	16
720	Defined_Bond_Stereo_Count	0
9844	Hydrogen_Bond_Acceptor_Count	4
49993	XLogP3-AA	3.1
3893	Structure_Complexity	132
10926	Undefined_Bond_Stereo_Count	0
8020	Defined_Bond_Stereo_Count	0
153665501	Exact_Mass	108.093900383
54224045	Structure_Complexity	40.7
53318410	Defined_Atom_Stereo_Count	0
82650946	Exact_Mass	115.063328530
87074	Non-hydrogen_Atom_Count	8
564654	Hydrogen_Bond_Donor_Count	0
5487427	Hydrogen_Bond_Donor_Count	1
92279	Total_Formal_Charge	0
20861	Hydrogen_Bond_Acceptor_Count	1
12760717	Exact_Mass	98.059246208
45256108	Undefined_Bond_Stereo_Count	0
25007799	Exact_Mass	411.16166284
17563	Tautomer_Count	2
10134976	Molecular_Weight	390.4
590908	Molecular_Weight	164.29
10813653	Hydrogen_Bond_Acceptor_Count	10
460129	Mono_Isotopic_Weight	173.04365571
129887798	TPSA	32.3
5460639	Hydrogen_Bond_Donor_Count	1
24358	Hydrogen_Bond_Donor_Count	0
10888051	Defined_Bond_Stereo_Count	0
73895	Tautomer_Count	1
52922056	Undefined_Atom_Stereo_Count	0
37873	Hydrogen_Bond_Acceptor_Count	3
5460029	Hydrogen_Bond_Donor_Count	4
60196434	Covalent_Unit_Count	1
4595	Rotatable_Bond_Count	2
12577	Exact_Mass	157.00112220
5494425	Total_Formal_Charge	0
10481845	Structure_Complexity	935
11548000	Molecular_Weight	510.7
90078	Undefined_Bond_Stereo_Count	0
5365589	Undefined_Bond_Stereo_Count	0
2734164	Hydrogen_Bond_Donor_Count	0
69454537	XLogP3-AA	2
108888	Exact_Mass	362.20932405
11607904	Mono_Isotopic_Weight	112.074896272
543565	XLogP3-AA	0.6
237870	Defined_Atom_Stereo_Count	0
25050	Defined_Bond_Stereo_Count	0
41506	Tautomer_Count	1
118219535	Covalent_Unit_Count	1
59957929	TPSA	20.2
57174031	Molecular_Weight	284.35
8222	Exact_Mass	282.328651340
399594	Rotatable_Bond_Count	1
170366	Hydrogen_Bond_Donor_Count	0
6496	Isotope_Atom_Count	0
68552	Isotope_Atom_Count	0
23681045	Tautomer_Count	1
10832	Structure_Complexity	169
69815	Hydrogen_Bond_Donor_Count	0
6379	Mono_Isotopic_Weight	109.0658271
13418386	Non-hydrogen_Atom_Count	8
57713	Exact_Mass	501.22101093
12899069	Isotope_Atom_Count	0
5417	Hydrogen_Bond_Donor_Count	0
5280878	Mono_Isotopic_Weight	496.26070817
62234773	Undefined_Atom_Stereo_Count	0
25526	TPSA	175
5460795	Exact_Mass	120.066068181
134129158	Covalent_Unit_Count	1
71752170	Undefined_Atom_Stereo_Count	0
14843143	Isotope_Atom_Count	0
5695	Defined_Bond_Stereo_Count	0
3609	Hydrogen_Bond_Donor_Count	8
27552	Defined_Atom_Stereo_Count	0
53316409	Defined_Atom_Stereo_Count	0
123767	Defined_Bond_Stereo_Count	0
610169	Molecular_Weight	206.47
17931	XLogP3	3.6
25141092	Structure_Complexity	847
77507	Defined_Bond_Stereo_Count	0
12213229	TPSA	75.3
23925	Structure_Complexity	0
154103	Hydrogen_Bond_Acceptor_Count	5
23039770	Mono_Isotopic_Weight	95.037113783
11589590	Undefined_Bond_Stereo_Count	0
102551	Non-hydrogen_Atom_Count	11
18177	Defined_Bond_Stereo_Count	0
251910	Non-hydrogen_Atom_Count	13
69810334	Exact_Mass	110.073164938
55289602	Hydrogen_Bond_Donor_Count	1
56964111	Covalent_Unit_Count	1
452723	Isotope_Atom_Count	0
136037280	Defined_Atom_Stereo_Count	0
7624	Structure_Complexity	322
559799	Hydrogen_Bond_Acceptor_Count	3
62495	Non-hydrogen_Atom_Count	24
70190	Covalent_Unit_Count	1
163285897	Defined_Atom_Stereo_Count	39
118210808	Exact_Mass	114.068079557
16183	Molecular_Weight	190.02
23847	Tautomer_Count	3
5384876	Total_Formal_Charge	0
72200848	XLogP3-AA	5.6
59277772	Defined_Atom_Stereo_Count	0
60069415	Non-hydrogen_Atom_Count	8
24848271	XLogP3-AA	3.7
98330	Defined_Atom_Stereo_Count	0
9978440	Mono_Isotopic_Weight	402.09734608
86256506	Exact_Mass	101.047678466
11635763	Undefined_Atom_Stereo_Count	1
59743205	Isotope_Atom_Count	0
9797657	Structure_Complexity	294
144750	Mono_Isotopic_Weight	116.083729621
14359581	Structure_Complexity	92.5
59276	Hydrogen_Bond_Acceptor_Count	2
5948958	Rotatable_Bond_Count	2
25262965	Defined_Atom_Stereo_Count	2
144381	Isotope_Atom_Count	0
67258371	Hydrogen_Bond_Acceptor_Count	3
80077	Undefined_Bond_Stereo_Count	0
81102	Hydrogen_Bond_Acceptor_Count	3
25607	XLogP3	5.5
431630	Molecular_Weight	100.12
12035	Hydrogen_Bond_Donor_Count	3
442196	Hydrogen_Bond_Acceptor_Count	4
71584405	Exact_Mass	399.16952493
54475034	Covalent_Unit_Count	1
447379	Isotope_Atom_Count	0
6694	Molecular_Weight	479.0
12024	XLogP3	2.3
67630	Hydrogen_Bond_Acceptor_Count	5
131724228	Non-hydrogen_Atom_Count	92
35372055	Structure_Complexity	437
11013485	Defined_Bond_Stereo_Count	0
58207	Defined_Atom_Stereo_Count	0
968625	Molecular_Weight	330.4
9956222	Exact_Mass	467.17058756
72200672	Mono_Isotopic_Weight	491.02763
7814	Rotatable_Bond_Count	0
84255	XLogP3-AA	1.2
96522	Hydrogen_Bond_Acceptor_Count	3
122214398	Undefined_Bond_Stereo_Count	0
44629681	Hydrogen_Bond_Acceptor_Count	6
101250074	TPSA	118
65888	Covalent_Unit_Count	1
160078	Non-hydrogen_Atom_Count	59
16005120	Isotope_Atom_Count	0
1733	Rotatable_Bond_Count	0
5459211	Total_Formal_Charge	0
454386	Structure_Complexity	484
59830693	Undefined_Bond_Stereo_Count	0
23236224	TPSA	40.9
50587	Rotatable_Bond_Count	22
98655	TPSA	43.4
15940197	XLogP3	2.2
57406911	Non-hydrogen_Atom_Count	32
10240761	Hydrogen_Bond_Donor_Count	1
129628281	Exact_Mass	1061.34132
4951	Molecular_Weight	530.6
3424	Defined_Atom_Stereo_Count	0
21991095	Undefined_Atom_Stereo_Count	0
2966	Mono_Isotopic_Weight	175.110947427
529287	Defined_Bond_Stereo_Count	0
86739056	Covalent_Unit_Count	1
11954359	Defined_Bond_Stereo_Count	0
44809	Covalent_Unit_Count	3
15758	Undefined_Bond_Stereo_Count	0
107640	Undefined_Atom_Stereo_Count	5
6161	Undefined_Atom_Stereo_Count	0
55289911	Exact_Mass	99.104799419
23080874	Hydrogen_Bond_Donor_Count	0
699107	Structure_Complexity	366
70682214	Total_Formal_Charge	0
83433	Covalent_Unit_Count	1
45609	Rotatable_Bond_Count	4
71709	Total_Formal_Charge	0
69388	Exact_Mass	98.036779430
2752638	Hydrogen_Bond_Donor_Count	2
77463	TPSA	9.7
9925544	Defined_Bond_Stereo_Count	1
74183	Hydrogen_Bond_Acceptor_Count	2
439811	Rotatable_Bond_Count	3
9700	Total_Formal_Charge	0
98473	Rotatable_Bond_Count	5
15057	Defined_Bond_Stereo_Count	0
946899	Isotope_Atom_Count	0
102248370	Non-hydrogen_Atom_Count	23
25670	Covalent_Unit_Count	1
24808640	Defined_Atom_Stereo_Count	0
12560725	Hydrogen_Bond_Donor_Count	2
5787	Undefined_Atom_Stereo_Count	0
3673	Isotope_Atom_Count	0
1136	Covalent_Unit_Count	1
91663303	Mono_Isotopic_Weight	475.23587315
69674285	Molecular_Weight	112.17
14072	XLogP3-AA	1.1
44404640	Molecular_Weight	651.9
14306122	Hydrogen_Bond_Donor_Count	0
9303	Undefined_Bond_Stereo_Count	0
8528	Mono_Isotopic_Weight	335.17327290
87642	Molecular_Weight	767.5
10006	Defined_Bond_Stereo_Count	0
72307	Undefined_Atom_Stereo_Count	0
3033983	Exact_Mass	426.15730574
627679	Hydrogen_Bond_Acceptor_Count	4
10823	TPSA	12.9
1964	Hydrogen_Bond_Donor_Count	2
244030	Structure_Complexity	159
221523	Mono_Isotopic_Weight	84.057514874
12217061	Exact_Mass	97.063997236
50397	XLogP3-AA	2
132594557	Structure_Complexity	487
11508600	Mono_Isotopic_Weight	352.12232057
53420268	Total_Formal_Charge	0
368	Structure_Complexity	58.4
440577	Isotope_Atom_Count	0
9954083	Rotatable_Bond_Count	6
70837	Isotope_Atom_Count	0
91610	Isotope_Atom_Count	0
11596983	XLogP3-AA	4.4
9457	Rotatable_Bond_Count	3
20306062	Isotope_Atom_Count	0
21824034	Covalent_Unit_Count	1
129800133	Non-hydrogen_Atom_Count	7
10154000	Molecular_Weight	88.11
56658438	Hydrogen_Bond_Donor_Count	2
66541	Hydrogen_Bond_Acceptor_Count	3
5116	Molecular_Weight	333.2
76035516	Covalent_Unit_Count	1
4914	Non-hydrogen_Atom_Count	17
24466	Non-hydrogen_Atom_Count	17
4722579	Undefined_Atom_Stereo_Count	0
94418	Isotope_Atom_Count	0
91503	Hydrogen_Bond_Donor_Count	1
23939	TPSA	0
135554980	Molecular_Weight	87.04
188987	Hydrogen_Bond_Donor_Count	2
58071	Molecular_Weight	276.37
44394119	Mono_Isotopic_Weight	599.23778211
760051	Covalent_Unit_Count	1
643497	Tautomer_Count	2
26440	Undefined_Bond_Stereo_Count	1
9789	Defined_Atom_Stereo_Count	0
433294	Covalent_Unit_Count	2
69297	Isotope_Atom_Count	0
23199087	Mono_Isotopic_Weight	92.037448136
126708022	Isotope_Atom_Count	0
142965989	Rotatable_Bond_Count	6
24891699	Hydrogen_Bond_Acceptor_Count	6
501640	Defined_Bond_Stereo_Count	0
11549	Total_Formal_Charge	0
457831	Defined_Bond_Stereo_Count	0
5352461	Undefined_Atom_Stereo_Count	0
54076653	Structure_Complexity	111
11521066	Exact_Mass	88.052429494
77217	Covalent_Unit_Count	1
20259185	Non-hydrogen_Atom_Count	8
141545	Non-hydrogen_Atom_Count	8
12554265	Defined_Bond_Stereo_Count	0
4714	Undefined_Bond_Stereo_Count	2
4532218	Isotope_Atom_Count	0
11223	Covalent_Unit_Count	2
6436633	Hydrogen_Bond_Donor_Count	0
40185	Covalent_Unit_Count	1
70689065	Hydrogen_Bond_Donor_Count	0
11725766	XLogP3-AA	4.7
12561739	Non-hydrogen_Atom_Count	10
10039361	Exact_Mass	281.116426730
16219010	Undefined_Atom_Stereo_Count	0
134692058	Molecular_Weight	448.5
3083758	Molecular_Weight	145.55
11408688	Defined_Atom_Stereo_Count	0
73425158	Total_Formal_Charge	0
135565082	Isotope_Atom_Count	0
45076013	Undefined_Bond_Stereo_Count	0
410615	Undefined_Atom_Stereo_Count	1
643981	Defined_Atom_Stereo_Count	8
6295	Non-hydrogen_Atom_Count	20
12701401	Mono_Isotopic_Weight	112.088815002
623849	Isotope_Atom_Count	0
14489	XLogP3	1.8
904857	Structure_Complexity	343
17516	Tautomer_Count	2
7303	Hydrogen_Bond_Donor_Count	0
56208	Isotope_Atom_Count	0
25052023	Rotatable_Bond_Count	6
123273783	Mono_Isotopic_Weight	106.078250319
599131	Defined_Bond_Stereo_Count	0
2764068	Rotatable_Bond_Count	4
314282	Hydrogen_Bond_Donor_Count	1
11710986	Undefined_Bond_Stereo_Count	0
101944072	Isotope_Atom_Count	0
13487	Structure_Complexity	474
2761	Covalent_Unit_Count	1
6450816	Exact_Mass	612.2173192
9961	Molecular_Weight	124.09
67246787	Exact_Mass	410.0833482
23657865	Hydrogen_Bond_Donor_Count	3
9568077	Non-hydrogen_Atom_Count	21
9942131	Hydrogen_Bond_Donor_Count	0
680	Structure_Complexity	270
87485	Undefined_Bond_Stereo_Count	0
427	Defined_Atom_Stereo_Count	0
70846	Undefined_Bond_Stereo_Count	0
20692458	XLogP3-AA	1.7
34359	Undefined_Atom_Stereo_Count	0
14342	Defined_Atom_Stereo_Count	0
36023	TPSA	23.8
88559809	XLogP3-AA	1.4
87410	TPSA	27.7
91824751	Non-hydrogen_Atom_Count	61
529272	Non-hydrogen_Atom_Count	8
561488	Covalent_Unit_Count	1
19540	Rotatable_Bond_Count	4
140233815	Hydrogen_Bond_Acceptor_Count	1
135565471	Defined_Atom_Stereo_Count	4
134695356	Molecular_Weight	749.9
5352846	Defined_Atom_Stereo_Count	0
127736	Undefined_Atom_Stereo_Count	0
34815	Exact_Mass	680.30025
15071968	Rotatable_Bond_Count	2
71457269	Hydrogen_Bond_Donor_Count	2
75427	TPSA	17.1
71485	Molecular_Weight	397.6
94647	Hydrogen_Bond_Donor_Count	0
5311264	Hydrogen_Bond_Donor_Count	1
27893	Non-hydrogen_Atom_Count	8
65188	Defined_Atom_Stereo_Count	0
25835	Total_Formal_Charge	0
68975085	Exact_Mass	86.084398327
155290	Hydrogen_Bond_Donor_Count	1
17884	Tautomer_Count	4
9824345	Exact_Mass	436.15691181
67465	TPSA	28.7
65502	Hydrogen_Bond_Acceptor_Count	3
10678209	Molecular_Weight	114.14
59011815	Rotatable_Bond_Count	2
5374527	Non-hydrogen_Atom_Count	14
136224833	Rotatable_Bond_Count	3
64218	Covalent_Unit_Count	1
71454296	Hydrogen_Bond_Donor_Count	2
6540478	Defined_Atom_Stereo_Count	6
70542877	XLogP3-AA	0.1
166718	Tautomer_Count	1
15990796	Defined_Bond_Stereo_Count	0
13792437	Undefined_Atom_Stereo_Count	0
68396	Rotatable_Bond_Count	0
2777083	Molecular_Weight	126.08
13964915	TPSA	74.6
63397	Covalent_Unit_Count	1
12394845	Total_Formal_Charge	0
17982851	Molecular_Weight	112.13
60196298	Covalent_Unit_Count	3
71295848	Exact_Mass	201.95763530
9964188	Undefined_Atom_Stereo_Count	2
446744	Structure_Complexity	543
5356785	XLogP3	4.8
16131448	Molecular_Weight	1809.0
153903	XLogP3-AA	1.1
3791	Hydrogen_Bond_Acceptor_Count	3
9548619	Covalent_Unit_Count	1
4006	Tautomer_Count	1
152891364	Exact_Mass	111.104799419
85864362	Rotatable_Bond_Count	1
69216	Molecular_Weight	114.10
3061720	Isotope_Atom_Count	0
289847	Total_Formal_Charge	0
9432	Defined_Atom_Stereo_Count	0
18273	Rotatable_Bond_Count	1
675533	Undefined_Atom_Stereo_Count	0
75622	Undefined_Atom_Stereo_Count	0
441477	Mono_Isotopic_Weight	179.07937252
5288564	Defined_Bond_Stereo_Count	0
4458	Tautomer_Count	1
66110	Hydrogen_Bond_Donor_Count	1
642799	TPSA	12.9
57481131	Total_Formal_Charge	0
49865972	Molecular_Weight	354.4
4058	Structure_Complexity	276
10909482	Defined_Atom_Stereo_Count	0
5281437	Isotope_Atom_Count	0
21037713	Isotope_Atom_Count	0
9331	Defined_Atom_Stereo_Count	0
57507663	Rotatable_Bond_Count	0
124723	Rotatable_Bond_Count	0
78414	Hydrogen_Bond_Donor_Count	0
6140	Covalent_Unit_Count	1
731361	Rotatable_Bond_Count	5
1396	Hydrogen_Bond_Acceptor_Count	7
90125683	Total_Formal_Charge	0
12035	XLogP3	0.4
70003	Non-hydrogen_Atom_Count	12
151114	Non-hydrogen_Atom_Count	39
9062	Rotatable_Bond_Count	1
66792573	Molecular_Weight	101.15
34154	Hydrogen_Bond_Donor_Count	1
24502	Exact_Mass	293.772825
138059757	Non-hydrogen_Atom_Count	31
14397832	Rotatable_Bond_Count	2
3298	Undefined_Atom_Stereo_Count	0
1004	Hydrogen_Bond_Acceptor_Count	4
8518	Defined_Atom_Stereo_Count	0
12431565	Isotope_Atom_Count	0
15174929	Mono_Isotopic_Weight	404.19473662
30065	Total_Formal_Charge	0
54120934	Isotope_Atom_Count	0
337310	Defined_Atom_Stereo_Count	0
73695606	Hydrogen_Bond_Donor_Count	2
73697	Total_Formal_Charge	0
128423	Hydrogen_Bond_Donor_Count	0
19873782	Hydrogen_Bond_Donor_Count	1
9895	Rotatable_Bond_Count	1
23080870	Hydrogen_Bond_Donor_Count	0
90334	TPSA	48.1
10997046	Non-hydrogen_Atom_Count	9
11377	Defined_Bond_Stereo_Count	0
66070288	Undefined_Bond_Stereo_Count	0
70695759	Defined_Atom_Stereo_Count	0
18921450	Total_Formal_Charge	0
6537961	Covalent_Unit_Count	1
5158	TPSA	431
12444324	Exact_Mass	136.125200510
16109396	Defined_Bond_Stereo_Count	0
4114	Rotatable_Bond_Count	1
78566	Isotope_Atom_Count	0
2533	Molecular_Weight	790.8
4873	TPSA	0
5859	Undefined_Atom_Stereo_Count	0
133109198	Rotatable_Bond_Count	7
21131011	Structure_Complexity	98.6
127894	Non-hydrogen_Atom_Count	20
11787	Structure_Complexity	160
652840	Non-hydrogen_Atom_Count	30
11601544	Defined_Atom_Stereo_Count	1
980	Structure_Complexity	123
12025	Mono_Isotopic_Weight	85.052763847
3816071	Mono_Isotopic_Weight	286.93329724
15565709	Defined_Atom_Stereo_Count	1
61196	Structure_Complexity	164
503538	Hydrogen_Bond_Donor_Count	2
9547150	Non-hydrogen_Atom_Count	64
135402037	Covalent_Unit_Count	1
24705318	Hydrogen_Bond_Acceptor_Count	2
54311720	Undefined_Bond_Stereo_Count	0
12760717	Undefined_Bond_Stereo_Count	0
97823	Rotatable_Bond_Count	1
90643	Rotatable_Bond_Count	0
13624278	Defined_Atom_Stereo_Count	0
444144	Hydrogen_Bond_Acceptor_Count	7
133676174	Structure_Complexity	72.5
129668601	Molecular_Weight	145.12
137699572	Hydrogen_Bond_Acceptor_Count	13
30152	Isotope_Atom_Count	0
74170	Undefined_Atom_Stereo_Count	0
22256270	Defined_Atom_Stereo_Count	0
119828	Undefined_Atom_Stereo_Count	0
54929	Undefined_Bond_Stereo_Count	0
28697	Exact_Mass	224.915111
19063	Isotope_Atom_Count	0
2724163	Defined_Atom_Stereo_Count	0
911023	Undefined_Bond_Stereo_Count	0
6918653	XLogP3-AA	2.4
160051	Defined_Atom_Stereo_Count	0
8827	TPSA	81.6
160508454	Structure_Complexity	756
24989869	Undefined_Atom_Stereo_Count	1
11389359	Rotatable_Bond_Count	1
493342	Exact_Mass	338.05475542
11137427	Undefined_Bond_Stereo_Count	0
4409936	Hydrogen_Bond_Donor_Count	0
85944	Hydrogen_Bond_Acceptor_Count	1
6537499	Molecular_Weight	616.8
4587	Hydrogen_Bond_Donor_Count	3
66261	Total_Formal_Charge	0
2981	XLogP3	2.7
90757603	Rotatable_Bond_Count	1
44224257	Undefined_Atom_Stereo_Count	0
33565	Hydrogen_Bond_Donor_Count	2
20188397	Rotatable_Bond_Count	0
46193079	Hydrogen_Bond_Donor_Count	0
9926791	Total_Formal_Charge	0
131664136	Total_Formal_Charge	0
19707	Total_Formal_Charge	0
55288974	Mono_Isotopic_Weight	111.068413911
7909	Total_Formal_Charge	0
10958189	Rotatable_Bond_Count	7
129674572	Hydrogen_Bond_Donor_Count	0
69610	Structure_Complexity	64
11957756	Undefined_Bond_Stereo_Count	0
12435	Defined_Atom_Stereo_Count	0
44353367	Defined_Atom_Stereo_Count	0
296659	Covalent_Unit_Count	1
85960	Undefined_Bond_Stereo_Count	0
6603759	Structure_Complexity	380
15276695	Molecular_Weight	99.13
94222	Rotatable_Bond_Count	3
9153	Non-hydrogen_Atom_Count	20
15575641	Total_Formal_Charge	0
53315137	Isotope_Atom_Count	0
445318	Molecular_Weight	292.37
21273017	Defined_Bond_Stereo_Count	0
10953489	Molecular_Weight	124.09
79314	Hydrogen_Bond_Acceptor_Count	3
57057991	TPSA	43.4
92515	Exact_Mass	208.109944368
146102	Exact_Mass	236.177630004
3018598	Isotope_Atom_Count	0
86248095	XLogP3-AA	0.7
249414	Covalent_Unit_Count	1
6420042	Mono_Isotopic_Weight	337.13140809
37864	Total_Formal_Charge	0
155087254	Rotatable_Bond_Count	15
107780	Undefined_Atom_Stereo_Count	0
3767	Undefined_Bond_Stereo_Count	0
439326	Hydrogen_Bond_Acceptor_Count	11
5770	Covalent_Unit_Count	1
54393307	Total_Formal_Charge	0
62354	Isotope_Atom_Count	0
900	Non-hydrogen_Atom_Count	19
83063	Rotatable_Bond_Count	3
300166	Structure_Complexity	125
90558	Hydrogen_Bond_Acceptor_Count	4
18715987	Total_Formal_Charge	0
56643412	Undefined_Atom_Stereo_Count	0
883476	Structure_Complexity	388
6604122	Exact_Mass	376.16343649
6554	TPSA	0
17613	Molecular_Weight	150.64
32801	TPSA	40.5
101987917	Exact_Mass	374.24570956
90449	Total_Formal_Charge	0
16667738	Exact_Mass	462.22134529
67520	Isotope_Atom_Count	0
521994	Non-hydrogen_Atom_Count	7
67742	Defined_Bond_Stereo_Count	0
138403272	Mono_Isotopic_Weight	925.50349992
54150248	Hydrogen_Bond_Donor_Count	1
2392	Undefined_Bond_Stereo_Count	0
91486118	Exact_Mass	113.058911855
101643292	Total_Formal_Charge	0
119047	TPSA	23.1
1474853	Structure_Complexity	466
5289613	Tautomer_Count	6
90737888	Undefined_Bond_Stereo_Count	0
18656	Total_Formal_Charge	0
70447154	Total_Formal_Charge	0
17390	Hydrogen_Bond_Donor_Count	0
12758	Hydrogen_Bond_Donor_Count	0
81896	Undefined_Bond_Stereo_Count	0
17929084	Molecular_Weight	161.23
5486209	Undefined_Atom_Stereo_Count	0
7854	Covalent_Unit_Count	1
13460228	Isotope_Atom_Count	0
16208013	Non-hydrogen_Atom_Count	195
16667738	Structure_Complexity	552
2737701	Structure_Complexity	76.8
76403	Hydrogen_Bond_Acceptor_Count	1
156618103	Hydrogen_Bond_Donor_Count	8
6917983	Molecular_Weight	822.9
83679654	Rotatable_Bond_Count	1
69624	TPSA	0
102004607	Hydrogen_Bond_Donor_Count	17
82935	Structure_Complexity	2.8
47750	Rotatable_Bond_Count	3
54594771	Defined_Bond_Stereo_Count	0
66912	Mono_Isotopic_Weight	198.08920892
40512	Mono_Isotopic_Weight	216.14739250
67258456	Mono_Isotopic_Weight	111.006876283
969152	Undefined_Atom_Stereo_Count	0
5462077	Isotope_Atom_Count	0
62097	Tautomer_Count	2
5249	Undefined_Atom_Stereo_Count	0
320410	Defined_Bond_Stereo_Count	0
84975	Undefined_Atom_Stereo_Count	0
244030	Isotope_Atom_Count	0
13531383	Tautomer_Count	1
39031	Isotope_Atom_Count	0
144402393	Isotope_Atom_Count	0
853	Exact_Mass	776.6867
54680690	Tautomer_Count	132
11724027	Hydrogen_Bond_Donor_Count	2
97836	Structure_Complexity	74.9
8929	Hydrogen_Bond_Donor_Count	0
72765870	Rotatable_Bond_Count	1
53632493	Mono_Isotopic_Weight	100.052429494
136451	Covalent_Unit_Count	1
39940	Hydrogen_Bond_Donor_Count	1
984454	Undefined_Bond_Stereo_Count	0
164914198	XLogP3-AA	1.4
10329254	Structure_Complexity	57.2
9690120	Structure_Complexity	960
11504295	Exact_Mass	386.18417193
6764	Defined_Atom_Stereo_Count	0
11895	Molecular_Weight	170.59
14720269	Mono_Isotopic_Weight	381.11230696
12300006	Tautomer_Count	3
92822	Isotope_Atom_Count	0
78408892	Undefined_Atom_Stereo_Count	0
71359064	XLogP3-AA	1.1
2812	Structure_Complexity	396
21604849	Exact_Mass	110.073164938
22097456	Mono_Isotopic_Weight	112.063662883
90753995	Total_Formal_Charge	0
77663	Defined_Bond_Stereo_Count	0
10473	Defined_Bond_Stereo_Count	0
12847948	Structure_Complexity	83.7
11961	TPSA	43.4
23436	Tautomer_Count	1
20749	Isotope_Atom_Count	0
5833	Undefined_Bond_Stereo_Count	0
45358975	Defined_Bond_Stereo_Count	0
23670844	Total_Formal_Charge	0
20111961	Defined_Atom_Stereo_Count	0
34327	Exact_Mass	204.093900383
135071	Undefined_Bond_Stereo_Count	0
87280891	Isotope_Atom_Count	0
3081743	TPSA	62.3
19835	Mono_Isotopic_Weight	160.146329876
22198	TPSA	29.3
175496	Undefined_Bond_Stereo_Count	0
295275	Mono_Isotopic_Weight	318.0771200
14010989	Isotope_Atom_Count	0
3033856	Covalent_Unit_Count	1
24848222	Defined_Atom_Stereo_Count	0
67548	Rotatable_Bond_Count	10
17818	Defined_Atom_Stereo_Count	0
4097	Rotatable_Bond_Count	7
408714	Isotope_Atom_Count	0
50701	Undefined_Bond_Stereo_Count	0
60196269	Covalent_Unit_Count	2
38852	Molecular_Weight	476.5
9739	Undefined_Bond_Stereo_Count	0
23700091	Structure_Complexity	218
168447	Structure_Complexity	116
71667668	Total_Formal_Charge	0
5486182	Structure_Complexity	933
6440900	Hydrogen_Bond_Donor_Count	2
159738	Total_Formal_Charge	0
5367854	Total_Formal_Charge	0
19032309	Total_Formal_Charge	0
961335	Defined_Atom_Stereo_Count	1
70355	Total_Formal_Charge	0
130666299	Defined_Atom_Stereo_Count	0
54580767	Defined_Bond_Stereo_Count	0
23663976	Structure_Complexity	596
6080476	Structure_Complexity	528
3338	XLogP3-AA	2.9
61741273	Total_Formal_Charge	0
451270	Hydrogen_Bond_Acceptor_Count	0
630635	Hydrogen_Bond_Donor_Count	0
91413470	Hydrogen_Bond_Acceptor_Count	3
3989307	Defined_Atom_Stereo_Count	0
15257197	Defined_Bond_Stereo_Count	0
102171995	Total_Formal_Charge	0
145454	Undefined_Bond_Stereo_Count	0
24757924	Undefined_Bond_Stereo_Count	0
23677967	Isotope_Atom_Count	0
11602	Molecular_Weight	82.14
136843	Exact_Mass	167.094628657
881	Undefined_Bond_Stereo_Count	0
134158431	TPSA	66.4
72139	Isotope_Atom_Count	0
3634	Molecular_Weight	356.5
117965	Hydrogen_Bond_Donor_Count	2
14939431	Isotope_Atom_Count	0
129378	Structure_Complexity	205
439468	Hydrogen_Bond_Donor_Count	11
9290	Hydrogen_Bond_Donor_Count	10
30590	Undefined_Atom_Stereo_Count	0
166	Structure_Complexity	419
23345862	Defined_Bond_Stereo_Count	0
71727581	Hydrogen_Bond_Donor_Count	2
156618042	Defined_Atom_Stereo_Count	10
129681809	Defined_Bond_Stereo_Count	0
21997068	Mono_Isotopic_Weight	102.115698455
606817	Defined_Bond_Stereo_Count	0
5311064	Tautomer_Count	2
8432	Defined_Bond_Stereo_Count	0
11906	Total_Formal_Charge	0
10996972	Isotope_Atom_Count	0
12285892	Exact_Mass	182.07594159
13245088	Molecular_Weight	114.14
22641151	Undefined_Atom_Stereo_Count	2
3082780	Hydrogen_Bond_Acceptor_Count	2
46202081	Covalent_Unit_Count	1
10117987	Defined_Bond_Stereo_Count	0
53943526	Non-hydrogen_Atom_Count	7
102090452	Hydrogen_Bond_Acceptor_Count	18
17982942	Structure_Complexity	76.8
19816653	Isotope_Atom_Count	0
1758	TPSA	124
10278	Structure_Complexity	590
137092	Non-hydrogen_Atom_Count	9
46204764	TPSA	126
129628370	Rotatable_Bond_Count	0
129860447	Structure_Complexity	42.8
11908385	Exact_Mass	342.11621151
3025067	TPSA	33.7
9882837	Undefined_Bond_Stereo_Count	0
139087363	Exact_Mass	306.0627584
19782729	TPSA	43.1
136649	Structure_Complexity	113
10080510	Isotope_Atom_Count	0
123899588	Non-hydrogen_Atom_Count	8
7951	Defined_Bond_Stereo_Count	0
97469	Hydrogen_Bond_Acceptor_Count	2
71724	Molecular_Weight	359.40
99143	Tautomer_Count	3
85538179	Structure_Complexity	169
3274	Rotatable_Bond_Count	5
22274936	Defined_Bond_Stereo_Count	0
166606713	Mono_Isotopic_Weight	181.06674293
25058166	Hydrogen_Bond_Donor_Count	7
3940	Hydrogen_Bond_Acceptor_Count	23
14786268	Molecular_Weight	114.14
66704467	Covalent_Unit_Count	1
6053	Structure_Complexity	236
13220626	Isotope_Atom_Count	0
123117	Exact_Mass	93.057849228
119086017	Non-hydrogen_Atom_Count	8
5313988	Exact_Mass	522.35596503
2737408	Undefined_Atom_Stereo_Count	0
71648	Hydrogen_Bond_Acceptor_Count	3
95837	Defined_Atom_Stereo_Count	0
92278	Rotatable_Bond_Count	6
71681009	Covalent_Unit_Count	1
54245381	Mono_Isotopic_Weight	118.099379685
6276645	Total_Formal_Charge	0
10899282	Defined_Atom_Stereo_Count	4
16737690	Hydrogen_Bond_Acceptor_Count	12
6539028	Hydrogen_Bond_Donor_Count	2
85922476	TPSA	20.2
93250	Structure_Complexity	539
456255	Undefined_Atom_Stereo_Count	0
12515628	XLogP3-AA	0.9
44251266	Mono_Isotopic_Weight	376.22497412
16218740	Defined_Atom_Stereo_Count	0
6918524	Molecular_Weight	269.73
5287705	Defined_Atom_Stereo_Count	0
21225236	Covalent_Unit_Count	1
107901	Defined_Bond_Stereo_Count	0
11625778	Molecular_Weight	413.5
6113	Structure_Complexity	118
12304323	Covalent_Unit_Count	1
16757872	Rotatable_Bond_Count	0
45157716	Hydrogen_Bond_Donor_Count	5
197855	Undefined_Bond_Stereo_Count	0
54133029	Exact_Mass	113.047678466
10877064	Covalent_Unit_Count	1
4486	Molecular_Weight	405.4
19782729	XLogP3-AA	0.4
476260	XLogP3-AA	3.2
11286436	Molecular_Weight	73.09
70691395	Rotatable_Bond_Count	4
4645224	Hydrogen_Bond_Donor_Count	1
21545139	Isotope_Atom_Count	0
56659843	Structure_Complexity	659
5311381	Exact_Mass	443.23212518
285258	Hydrogen_Bond_Acceptor_Count	6
61212	Hydrogen_Bond_Acceptor_Count	2
129653419	Defined_Bond_Stereo_Count	0
67420384	Mono_Isotopic_Weight	110.048012819
93162	Defined_Bond_Stereo_Count	0
57535	Rotatable_Bond_Count	8
12541	Molecular_Weight	246.4
138113391	Structure_Complexity	1830
5548	Undefined_Bond_Stereo_Count	2
208916	Mono_Isotopic_Weight	189.151749610
146157898	Non-hydrogen_Atom_Count	33
10239	Defined_Bond_Stereo_Count	0
236487	Hydrogen_Bond_Acceptor_Count	0
131674917	Hydrogen_Bond_Donor_Count	0
13713368	TPSA	32.8
26757	Hydrogen_Bond_Acceptor_Count	1
118285	Rotatable_Bond_Count	4
37271	Total_Formal_Charge	0
67535	Undefined_Atom_Stereo_Count	0
15535273	Rotatable_Bond_Count	1
3158	Structure_Complexity	363
172285	Hydrogen_Bond_Acceptor_Count	7
137138801	Isotope_Atom_Count	0
71624686	Mono_Isotopic_Weight	386.0968101
10464328	Structure_Complexity	137
234735	Structure_Complexity	94
18380	Structure_Complexity	245
89164217	Hydrogen_Bond_Donor_Count	2
591313	Total_Formal_Charge	0
70190	Non-hydrogen_Atom_Count	7
12852568	Rotatable_Bond_Count	0
3202	Undefined_Bond_Stereo_Count	0
77529	Molecular_Weight	247.03
441345	TPSA	55.8
232789	Non-hydrogen_Atom_Count	10
57304791	Undefined_Bond_Stereo_Count	0
60852	TPSA	139
139336513	Molecular_Weight	112.17
5282165	Undefined_Atom_Stereo_Count	0
129010440	Rotatable_Bond_Count	5
34001	Isotope_Atom_Count	0
117881739	Hydrogen_Bond_Donor_Count	1
86049	TPSA	32.3
20054967	Hydrogen_Bond_Donor_Count	1
123755	Total_Formal_Charge	0
2460	Rotatable_Bond_Count	8
57820	Rotatable_Bond_Count	10
2763760	XLogP3-AA	2.1
68321854	Isotope_Atom_Count	0
50023	TPSA	62.8
31401	Isotope_Atom_Count	0
135925740	Rotatable_Bond_Count	5
46934729	Exact_Mass	264.10111102
33344	Structure_Complexity	156
78484	Hydrogen_Bond_Acceptor_Count	1
17198	TPSA	55.8
137207	TPSA	0
851990	Undefined_Atom_Stereo_Count	0
191	Total_Formal_Charge	0
725692	Total_Formal_Charge	0
13191	Isotope_Atom_Count	0
25093303	Defined_Bond_Stereo_Count	1
7560	Hydrogen_Bond_Acceptor_Count	1
439711	Defined_Bond_Stereo_Count	0
87595	Undefined_Bond_Stereo_Count	0
199480	Undefined_Bond_Stereo_Count	0
440996	Exact_Mass	301.05626809
160244305	Molecular_Weight	1202.6
10051341	Molecular_Weight	492.6
23423	Defined_Atom_Stereo_Count	9
54025111	Undefined_Bond_Stereo_Count	0
529331	Covalent_Unit_Count	1
6917864	Undefined_Atom_Stereo_Count	0
61254	Defined_Bond_Stereo_Count	0
24477	Rotatable_Bond_Count	0
90489753	Non-hydrogen_Atom_Count	47
18921285	Total_Formal_Charge	0
165542	Defined_Bond_Stereo_Count	0
136097	Isotope_Atom_Count	0
6441082	Undefined_Atom_Stereo_Count	0
96316	TPSA	40.5
12383043	Defined_Atom_Stereo_Count	0
21783	Hydrogen_Bond_Acceptor_Count	4
91395	Exact_Mass	555.12596855
9903497	Defined_Bond_Stereo_Count	0
71300746	TPSA	121
65492	Defined_Atom_Stereo_Count	1
3792	TPSA	60
443604	Mono_Isotopic_Weight	493.32258015
49866505	TPSA	84.5
22220896	Defined_Atom_Stereo_Count	0
3962	Isotope_Atom_Count	0
18008584	Defined_Bond_Stereo_Count	0
11957378	Structure_Complexity	755
2232	Exact_Mass	508.24678944
8250	Structure_Complexity	303
135761165	Undefined_Atom_Stereo_Count	0
197066	TPSA	152
10772	Mono_Isotopic_Weight	165.042593085
99905	Total_Formal_Charge	0
61184	Structure_Complexity	86.9
528917	Hydrogen_Bond_Acceptor_Count	2
27816	Isotope_Atom_Count	0
13611188	XLogP3-AA	2
101603227	XLogP3-AA	6.1
433	TPSA	53.4
15485370	TPSA	66.8
441415	Exact_Mass	327.1601214
140250071	Total_Formal_Charge	0
495	Exact_Mass	267.07765844
19940	Isotope_Atom_Count	0
80792	Isotope_Atom_Count	0
3116	Hydrogen_Bond_Acceptor_Count	4
21617691	Defined_Atom_Stereo_Count	0
1746	TPSA	79.8
57829	XLogP3-AA	3.1
46195832	XLogP3	0.4
65853	Covalent_Unit_Count	1
22636846	Non-hydrogen_Atom_Count	8
5373493	XLogP3	0.3
533933	Rotatable_Bond_Count	0
30744	Hydrogen_Bond_Acceptor_Count	5
44338969	Total_Formal_Charge	0
160134	Hydrogen_Bond_Donor_Count	0
86979	Isotope_Atom_Count	0
13223	Total_Formal_Charge	0
13814	Tautomer_Count	3
443732	Molecular_Weight	71.12
5489948	Non-hydrogen_Atom_Count	39
11228763	Hydrogen_Bond_Acceptor_Count	1
18719	Isotope_Atom_Count	0
123623	Undefined_Bond_Stereo_Count	0
556836	TPSA	20.2
73707340	Exact_Mass	326.272199093
74062	Mono_Isotopic_Weight	255.98876
6710664	Structure_Complexity	540
66986	Molecular_Weight	246.81
1365	Defined_Atom_Stereo_Count	0
123295151	Isotope_Atom_Count	0
75349	Isotope_Atom_Count	0
6538991	Defined_Bond_Stereo_Count	0
65984620	Mono_Isotopic_Weight	112.052429494
156255626	Defined_Atom_Stereo_Count	0
7195	Mono_Isotopic_Weight	163.038176411
68081	Rotatable_Bond_Count	3
7269	Hydrogen_Bond_Donor_Count	0
657230	Isotope_Atom_Count	0
4645224	Molecular_Weight	165.12
9984441	Exact_Mass	529.21726296
21893333	Exact_Mass	109.052763847
35525	Mono_Isotopic_Weight	166.110613074
5281162	Non-hydrogen_Atom_Count	14
15983966	Hydrogen_Bond_Donor_Count	1
3337411	Defined_Atom_Stereo_Count	0
53775252	Non-hydrogen_Atom_Count	8
31677	Covalent_Unit_Count	1
35492	Isotope_Atom_Count	0
11077077	Undefined_Atom_Stereo_Count	0
53248849	Total_Formal_Charge	0
2724368	Non-hydrogen_Atom_Count	12
21880519	Exact_Mass	144.151415257
882533	Undefined_Bond_Stereo_Count	0
55397	Undefined_Atom_Stereo_Count	0
4092621	Non-hydrogen_Atom_Count	15
5329098	XLogP3-AA	2.5
17797813	Isotope_Atom_Count	0
13922	Covalent_Unit_Count	3
11974440	Defined_Bond_Stereo_Count	0
72048	Total_Formal_Charge	0
79633	Exact_Mass	254.07653624
57674785	Rotatable_Bond_Count	2
4179	Structure_Complexity	1470
72734520	Mono_Isotopic_Weight	487.21320126
44456	Tautomer_Count	3
24472	Defined_Atom_Stereo_Count	0
60503	Rotatable_Bond_Count	5
322	Non-hydrogen_Atom_Count	12
138148	Defined_Atom_Stereo_Count	0
6884	Non-hydrogen_Atom_Count	11
11106352	Undefined_Bond_Stereo_Count	0
7877	Defined_Bond_Stereo_Count	0
387316	Rotatable_Bond_Count	7
23712863	Molecular_Weight	105.0
56654130	TPSA	77.5
54066875	Rotatable_Bond_Count	3
13245709	Covalent_Unit_Count	1
83854164	Exact_Mass	112.063662883
11006	Undefined_Bond_Stereo_Count	0
62551	Defined_Bond_Stereo_Count	0
10176127	Defined_Atom_Stereo_Count	0
68901	Exact_Mass	265.06111730
11510567	Defined_Bond_Stereo_Count	0
140560	Tautomer_Count	1
11974440	Exact_Mass	445.13372916
59390227	Mono_Isotopic_Weight	463.22485769
5324277	Exact_Mass	87.068413911
3047	Rotatable_Bond_Count	6
123725105	Exact_Mass	115.063328530
6195	Tautomer_Count	1
6538998	Rotatable_Bond_Count	10
688091	XLogP3-AA	0.7
2779031	Isotope_Atom_Count	0
347590	Hydrogen_Bond_Donor_Count	1
91176619	Defined_Atom_Stereo_Count	0
441374	Molecular_Weight	582.6
129694466	Undefined_Bond_Stereo_Count	0
22182	Isotope_Atom_Count	0
105014	Rotatable_Bond_Count	9
2225	Defined_Bond_Stereo_Count	0
13519	Structure_Complexity	68.6
11094587	Defined_Atom_Stereo_Count	0
56673241	XLogP3-AA	2.8
231360	Structure_Complexity	81.8
439240	Defined_Atom_Stereo_Count	3
24848261	Mono_Isotopic_Weight	413.1202852
72200444	Defined_Bond_Stereo_Count	0
85663349	Rotatable_Bond_Count	3
9828911	Isotope_Atom_Count	0
73557521	Molecular_Weight	190.09
12358803	Rotatable_Bond_Count	10
8471	Undefined_Atom_Stereo_Count	0
165105	Molecular_Weight	178.14
117965	Covalent_Unit_Count	2
15969	Molecular_Weight	220.05
504571	Hydrogen_Bond_Donor_Count	1
39650	Undefined_Atom_Stereo_Count	0
2723601	Total_Formal_Charge	0
23551	Isotope_Atom_Count	0
9827982	Defined_Atom_Stereo_Count	0
53326688	XLogP3-AA	5.3
163199229	Mono_Isotopic_Weight	1128.44808525
68929	Exact_Mass	288.17254462
4368	XLogP3-AA	2.2
20035294	Non-hydrogen_Atom_Count	8
18335911	Structure_Complexity	109
20469	Isotope_Atom_Count	0
66972027	Isotope_Atom_Count	0
10473927	Rotatable_Bond_Count	4
721310	Isotope_Atom_Count	0
23187765	Hydrogen_Bond_Acceptor_Count	1
71180	Exact_Mass	142.9409297
13690	Undefined_Atom_Stereo_Count	0
699222	Tautomer_Count	1
5502	XLogP3-AA	3.2
1150897	Defined_Bond_Stereo_Count	0
47640	Defined_Atom_Stereo_Count	0
21786	Hydrogen_Bond_Donor_Count	1
12305	Structure_Complexity	64
9574768	Isotope_Atom_Count	0
71340855	Undefined_Atom_Stereo_Count	0
65535	Covalent_Unit_Count	1
91348407	Covalent_Unit_Count	1
14197638	Molecular_Weight	109.13
2852	Structure_Complexity	948
91809622	Hydrogen_Bond_Acceptor_Count	8
58550596	XLogP3-AA	0.8
657038	TPSA	68.9
16211009	TPSA	86
3079842	Exact_Mass	297.0435674
71643	Mono_Isotopic_Weight	211.099714038
67797735	Tautomer_Count	4
17581	Defined_Atom_Stereo_Count	0
855423	Hydrogen_Bond_Acceptor_Count	3
90248267	Non-hydrogen_Atom_Count	7
23954	Undefined_Atom_Stereo_Count	0
65430	Undefined_Bond_Stereo_Count	0
3489	Total_Formal_Charge	0
10419137	Molecular_Weight	98.15
179547	Tautomer_Count	15
6918013	Non-hydrogen_Atom_Count	52
162246	Mono_Isotopic_Weight	504.32983310
13782419	Covalent_Unit_Count	1
43013	Hydrogen_Bond_Donor_Count	1
23680396	Hydrogen_Bond_Donor_Count	2
2555	Hydrogen_Bond_Acceptor_Count	2
142891	Molecular_Weight	276.07
5353424	Total_Formal_Charge	0
316724	TPSA	18.5
52942212	Total_Formal_Charge	0
129645691	Defined_Bond_Stereo_Count	0
11297617	Molecular_Weight	981.0
73094	Covalent_Unit_Count	1
146131	Structure_Complexity	228
11386	Structure_Complexity	132
18798586	Exact_Mass	112.125200510
748	Hydrogen_Bond_Donor_Count	6
4684505	Mono_Isotopic_Weight	338.08668395
45794	Covalent_Unit_Count	2
44134800	Covalent_Unit_Count	5
185915	Molecular_Weight	215.25
23678979	Undefined_Bond_Stereo_Count	0
135539121	Undefined_Atom_Stereo_Count	0
21327	TPSA	67.6
14142596	Molecular_Weight	113.11
76140	XLogP3-AA	10.4
6992140	Molecular_Weight	333.34
67688	Total_Formal_Charge	0
12102501	Hydrogen_Bond_Acceptor_Count	3
21894384	Total_Formal_Charge	0
12653319	Defined_Bond_Stereo_Count	0
135966012	Exact_Mass	297.07495584
54712667	Total_Formal_Charge	0
129826870	Isotope_Atom_Count	0
21805682	TPSA	49.3
14965861	Covalent_Unit_Count	1
56734	Defined_Atom_Stereo_Count	0
12866541	Hydrogen_Bond_Donor_Count	0
68658	Hydrogen_Bond_Acceptor_Count	5
7811	Molecular_Weight	124.21
131535	TPSA	192
46195832	Exact_Mass	752.1575354
59295974	Non-hydrogen_Atom_Count	38
19494	Undefined_Atom_Stereo_Count	0
62770	Defined_Bond_Stereo_Count	0
146468	Defined_Bond_Stereo_Count	0
25353	Defined_Bond_Stereo_Count	0
35726	Mono_Isotopic_Weight	349.10413
142765305	Undefined_Atom_Stereo_Count	0
5281792	TPSA	145
86653211	Molecular_Weight	302.12
24509	Structure_Complexity	37.1
77342	Total_Formal_Charge	0
187888	Hydrogen_Bond_Acceptor_Count	4
139054114	Exact_Mass	576.41248958
11850698	Rotatable_Bond_Count	6
6788	Defined_Bond_Stereo_Count	0
22186211	TPSA	29.5
76796454	Isotope_Atom_Count	0
34624	XLogP3-AA	3.1
23677323	Defined_Atom_Stereo_Count	0
3061720	Molecular_Weight	276.76
926	Undefined_Atom_Stereo_Count	8
456217	Rotatable_Bond_Count	6
4247366	Undefined_Atom_Stereo_Count	0
226831	Molecular_Weight	89.14
21696748	Isotope_Atom_Count	0
130659	Total_Formal_Charge	0
238053	Non-hydrogen_Atom_Count	28
5459958	Defined_Bond_Stereo_Count	0
3465817	TPSA	104
75341	XLogP3	2.2
11961	XLogP3-AA	2
117867	Isotope_Atom_Count	0
97469	XLogP3-AA	0.9
101828545	Rotatable_Bond_Count	6
599225	XLogP3-AA	1.8
11007867	Mono_Isotopic_Weight	115.063328530
9330	Undefined_Bond_Stereo_Count	0
14872976	Undefined_Bond_Stereo_Count	0
21138	Covalent_Unit_Count	1
118701718	Undefined_Bond_Stereo_Count	0
11701820	Defined_Atom_Stereo_Count	0
11337	Hydrogen_Bond_Donor_Count	6
11788287	Undefined_Bond_Stereo_Count	0
23729668	Total_Formal_Charge	0
5462814	Non-hydrogen_Atom_Count	8
140552347	Molecular_Weight	111.10
3750	Defined_Bond_Stereo_Count	0
72199540	Defined_Bond_Stereo_Count	0
69238	Molecular_Weight	117.10
23702	Total_Formal_Charge	0
30957	Isotope_Atom_Count	0
154108049	Defined_Bond_Stereo_Count	0
5013	Defined_Atom_Stereo_Count	0
135508231	Isotope_Atom_Count	0
71449750	Total_Formal_Charge	0
70480850	Total_Formal_Charge	0
17522	Molecular_Weight	243.22
544180	Covalent_Unit_Count	1
14517	Mono_Isotopic_Weight	121.032777294
4712728	Hydrogen_Bond_Donor_Count	1
131668624	XLogP3-AA	2.7
16240279	Structure_Complexity	910
5283345	Hydrogen_Bond_Acceptor_Count	1
9810772	Defined_Atom_Stereo_Count	1
91236903	Mono_Isotopic_Weight	110.109550447
131801066	TPSA	218
921134	XLogP3-AA	4.9
86240135	Undefined_Bond_Stereo_Count	0
229075	Exact_Mass	110.059246208
656837	Non-hydrogen_Atom_Count	36
3037	Structure_Complexity	226
1256	Defined_Atom_Stereo_Count	0
436497	Hydrogen_Bond_Acceptor_Count	3
445468	Non-hydrogen_Atom_Count	47
90735654	Exact_Mass	106.078250319
21998678	Defined_Atom_Stereo_Count	0
136037280	Hydrogen_Bond_Donor_Count	3
89578803	XLogP3-AA	1.5
73268	Structure_Complexity	196
72015	Hydrogen_Bond_Donor_Count	3
6436173	Molecular_Weight	785.9
10784	Exact_Mass	219.93851
5311333	Tautomer_Count	1
11463807	Defined_Bond_Stereo_Count	0
98097	Mono_Isotopic_Weight	226.099379685
5351154	Exact_Mass	184.11849242
23690438	Mono_Isotopic_Weight	157.98360147
17960143	Molecular_Weight	154.02
444000	Molecular_Weight	564.3
521355	Hydrogen_Bond_Acceptor_Count	1
12673086	Hydrogen_Bond_Donor_Count	1
49050	Hydrogen_Bond_Acceptor_Count	3
1189	Structure_Complexity	434
5369209	TPSA	63.6
668263	Undefined_Bond_Stereo_Count	0
12196274	Structure_Complexity	15.5
8855	XLogP3-AA	1.6
5845	Tautomer_Count	1
53436345	Defined_Bond_Stereo_Count	0
52942581	Hydrogen_Bond_Acceptor_Count	3
54158	Defined_Atom_Stereo_Count	0
9960287	Covalent_Unit_Count	2
135621748	Mono_Isotopic_Weight	108.043596145
142859	Hydrogen_Bond_Donor_Count	0
2723766	Molecular_Weight	164.16
54684141	Total_Formal_Charge	0
12542141	XLogP3-AA	0.9
58160574	Mono_Isotopic_Weight	527.23263824
4250936	Non-hydrogen_Atom_Count	7
7121	Undefined_Bond_Stereo_Count	0
2285	Structure_Complexity	127
26369821	Defined_Atom_Stereo_Count	0
65870	XLogP3-AA	5
138404	Tautomer_Count	2
124021837	Structure_Complexity	122
9776841	Molecular_Weight	953.1
11566378	XLogP3-AA	5.1
79772	Hydrogen_Bond_Donor_Count	2
138107735	Molecular_Weight	527.5
79966	Non-hydrogen_Atom_Count	13
23676814	Hydrogen_Bond_Acceptor_Count	6
6433192	Structure_Complexity	2130
6618895	Undefined_Bond_Stereo_Count	0
7088	Molecular_Weight	233.72
13510025	Undefined_Atom_Stereo_Count	0
9409	Hydrogen_Bond_Acceptor_Count	20
644235	Tautomer_Count	1
82291	Covalent_Unit_Count	2
6918235	Undefined_Bond_Stereo_Count	0
93771	Covalent_Unit_Count	1
44134719	Hydrogen_Bond_Acceptor_Count	8
91285707	Defined_Atom_Stereo_Count	0
11540045	XLogP3-AA	5.8
11105310	Hydrogen_Bond_Acceptor_Count	1
3040	Molecular_Weight	469.3
8205	Undefined_Atom_Stereo_Count	0
152274	Total_Formal_Charge	0
451187	Defined_Atom_Stereo_Count	4
54292409	Structure_Complexity	98.7
5364079	Rotatable_Bond_Count	3
53956489	Rotatable_Bond_Count	3
980806	Structure_Complexity	618
577126	Hydrogen_Bond_Acceptor_Count	1
129600762	TPSA	190
132939820	TPSA	110
2394	Non-hydrogen_Atom_Count	84
441328	Hydrogen_Bond_Acceptor_Count	7
1130	Defined_Atom_Stereo_Count	0
18199	Non-hydrogen_Atom_Count	3
574809	Defined_Bond_Stereo_Count	0
31347	Isotope_Atom_Count	0
21473742	Covalent_Unit_Count	1
72734319	Exact_Mass	601.19349328
54682463	Total_Formal_Charge	0
21124389	Non-hydrogen_Atom_Count	21
48409	Defined_Bond_Stereo_Count	0
9799979	Isotope_Atom_Count	0
85874	Exact_Mass	245.1182566
551191	Hydrogen_Bond_Acceptor_Count	1
12873460	TPSA	239
3802528	Rotatable_Bond_Count	8
13627570	Total_Formal_Charge	0
597592	Covalent_Unit_Count	1
9805776	Rotatable_Bond_Count	5
25127713	Mono_Isotopic_Weight	490.0974741
17586	TPSA	9.2
60195902	Total_Formal_Charge	0
164282	Isotope_Atom_Count	0
12262514	Hydrogen_Bond_Donor_Count	1
20	Exact_Mass	182.05790880
90087	Undefined_Atom_Stereo_Count	0
87663190	Undefined_Bond_Stereo_Count	0
451187	Undefined_Bond_Stereo_Count	0
69808	Isotope_Atom_Count	0
122980	Defined_Atom_Stereo_Count	0
521863	Covalent_Unit_Count	1
941385	Exact_Mass	352.0713660
12285893	Hydrogen_Bond_Acceptor_Count	6
555949	Undefined_Atom_Stereo_Count	2
53898601	Covalent_Unit_Count	1
15251628	TPSA	32.3
45357796	Defined_Atom_Stereo_Count	4
21942990	XLogP3	0.2
75421	Mono_Isotopic_Weight	133.052763847
12271349	Undefined_Atom_Stereo_Count	2
139323923	Hydrogen_Bond_Donor_Count	5
56738	Molecular_Weight	164.20
58550597	Total_Formal_Charge	0
53999929	Isotope_Atom_Count	0
6016	TPSA	28.5
67873	Undefined_Atom_Stereo_Count	0
132935795	Exact_Mass	199.10308534
71624470	Exact_Mass	370.1196536
5107724	Structure_Complexity	206
123670820	Non-hydrogen_Atom_Count	23
821	XLogP3-AA	21.6
44412343	Covalent_Unit_Count	1
28230148	TPSA	93.2
1434	Isotope_Atom_Count	0
21519577	Structure_Complexity	103
15731	Undefined_Bond_Stereo_Count	0
14986	Tautomer_Count	9
13627693	Structure_Complexity	78.6
537037	Non-hydrogen_Atom_Count	39
7015680	Mono_Isotopic_Weight	111.104799419
70695756	Defined_Bond_Stereo_Count	0
12513420	Mono_Isotopic_Weight	98.073164938
6918283	Covalent_Unit_Count	4
11415	Covalent_Unit_Count	1
71681634	Defined_Atom_Stereo_Count	0
12867435	Structure_Complexity	97.2
1598	Defined_Atom_Stereo_Count	0
9158	Molecular_Weight	252.3
161561	Molecular_Weight	430.9
5224206	Molecular_Weight	91.13
632332	Exact_Mass	361.1345753
162291	TPSA	52.6
14030006	Mono_Isotopic_Weight	932.76803489
572516	TPSA	25.8
71675	Rotatable_Bond_Count	5
154522078	Total_Formal_Charge	0
150067	Defined_Atom_Stereo_Count	0
21973740	Undefined_Atom_Stereo_Count	2
93369	Defined_Atom_Stereo_Count	0
257950	Undefined_Atom_Stereo_Count	0
79025	Isotope_Atom_Count	0
5460610	Defined_Bond_Stereo_Count	0
20228546	Total_Formal_Charge	0
82658	Defined_Atom_Stereo_Count	1
52938427	Mono_Isotopic_Weight	404.18484064
23205	Exact_Mass	262.12050905
53340426	Rotatable_Bond_Count	11
2171	Undefined_Bond_Stereo_Count	0
102515	Molecular_Weight	114.19
6538	Structure_Complexity	255
154262592	Rotatable_Bond_Count	1
4042	TPSA	60.4
37686	Rotatable_Bond_Count	5
714156	Undefined_Bond_Stereo_Count	0
304	Hydrogen_Bond_Acceptor_Count	1
77881	Exact_Mass	238.75296
423792	Covalent_Unit_Count	2
6723	Rotatable_Bond_Count	2
9567	Undefined_Bond_Stereo_Count	0
14786268	Undefined_Atom_Stereo_Count	0
58084	Tautomer_Count	1
15559311	Exact_Mass	842.51400504
32048	Total_Formal_Charge	0
74377607	Molecular_Weight	98.10
10486809	Total_Formal_Charge	0
123131999	Defined_Bond_Stereo_Count	0
6851	Total_Formal_Charge	0
53316378	Mono_Isotopic_Weight	529.21005233
12869962	Isotope_Atom_Count	0
272696	Structure_Complexity	82.7
6485793	Total_Formal_Charge	0
28788	Hydrogen_Bond_Donor_Count	1
91195	TPSA	17.1
14058558	XLogP3-AA	4.8
53896476	Hydrogen_Bond_Donor_Count	0
6399027	Exact_Mass	115.026943022
98148768	Exact_Mass	342.11621151
564664	Mono_Isotopic_Weight	108.093900383
595999	Undefined_Atom_Stereo_Count	2
7941	Covalent_Unit_Count	1
46239	Molecular_Weight	275.77
11083832	Defined_Atom_Stereo_Count	0
134767951	Hydrogen_Bond_Donor_Count	1
23677829	Non-hydrogen_Atom_Count	22
8673	Defined_Bond_Stereo_Count	0
11701	Structure_Complexity	159
10465	Exact_Mass	270.255880323
397587	Defined_Atom_Stereo_Count	0
61540	Defined_Atom_Stereo_Count	0
77942	Undefined_Atom_Stereo_Count	0
57656887	Isotope_Atom_Count	0
3533588	Molecular_Weight	792.0
78933	Tautomer_Count	1
10572530	XLogP3-AA	2.7
71624688	Hydrogen_Bond_Acceptor_Count	3
6421522	Total_Formal_Charge	0
87168	Tautomer_Count	1
139079814	Undefined_Bond_Stereo_Count	0
10024782	Total_Formal_Charge	0
535479	Undefined_Bond_Stereo_Count	0
693946	Undefined_Bond_Stereo_Count	0
71526	Tautomer_Count	1
104798	Total_Formal_Charge	2
63833	Structure_Complexity	638
102366731	Undefined_Atom_Stereo_Count	0
90761	Undefined_Bond_Stereo_Count	0
2734250	Undefined_Bond_Stereo_Count	0
6956382	Covalent_Unit_Count	1
9570985	Defined_Bond_Stereo_Count	1
12491609	Molecular_Weight	112.17
6545	Defined_Atom_Stereo_Count	0
733511	Undefined_Atom_Stereo_Count	0
89311461	Mono_Isotopic_Weight	114.079312947
17904650	Total_Formal_Charge	0
171375	Undefined_Bond_Stereo_Count	0
160339	Hydrogen_Bond_Donor_Count	1
12268621	Defined_Bond_Stereo_Count	0
65714	Tautomer_Count	3
596336	Rotatable_Bond_Count	2
23540	Covalent_Unit_Count	1
8121	Defined_Atom_Stereo_Count	0
52344	Tautomer_Count	1
11237985	Defined_Bond_Stereo_Count	0
31912	Exact_Mass	359.1895034
6450800	Rotatable_Bond_Count	11
523254	Rotatable_Bond_Count	3
63935844	Total_Formal_Charge	0
441014	Exact_Mass	342.11621151
6056	Exact_Mass	135.104799419
7977	Defined_Bond_Stereo_Count	0
105426996	Structure_Complexity	134
12546079	TPSA	27
4113	Total_Formal_Charge	0
54328926	Total_Formal_Charge	0
5708	Molecular_Weight	314.1
65605	Molecular_Weight	364.4
534954	Total_Formal_Charge	0
12830097	Tautomer_Count	5
36246	Isotope_Atom_Count	0
46552	TPSA	79.8
6410	XLogP3-AA	0.6
28118	Total_Formal_Charge	0
6474109	Undefined_Bond_Stereo_Count	0
96428	Defined_Bond_Stereo_Count	0
2608576	Defined_Bond_Stereo_Count	0
5423	Non-hydrogen_Atom_Count	19
55416	Undefined_Bond_Stereo_Count	0
8591	Rotatable_Bond_Count	4
101584	Non-hydrogen_Atom_Count	30
12298579	Covalent_Unit_Count	1
78422631	Non-hydrogen_Atom_Count	14
5113032	Tautomer_Count	160
540877	Defined_Bond_Stereo_Count	0
30020	Exact_Mass	130.099379685
86916	Undefined_Bond_Stereo_Count	0
135659016	Hydrogen_Bond_Acceptor_Count	15
139585133	Mono_Isotopic_Weight	473.16542806
96710	Rotatable_Bond_Count	1
65790	Defined_Atom_Stereo_Count	0
156588860	Hydrogen_Bond_Acceptor_Count	14
71306478	TPSA	172
4043	Isotope_Atom_Count	0
13884	Rotatable_Bond_Count	1
3082717	Structure_Complexity	449
21117215	Undefined_Atom_Stereo_Count	2
10328936	Tautomer_Count	1001
87935769	Undefined_Atom_Stereo_Count	2
21702858	Defined_Atom_Stereo_Count	0
12323	XLogP3-AA	2
11865410	Defined_Atom_Stereo_Count	4
6440397	Undefined_Bond_Stereo_Count	0
53465849	Molecular_Weight	401.5
17425	TPSA	118
25078013	Mono_Isotopic_Weight	1671.90967533
3344847	Mono_Isotopic_Weight	429.05049494
1650	Covalent_Unit_Count	1
2061	Tautomer_Count	16
83907	Structure_Complexity	203
2269	Rotatable_Bond_Count	7
57445155	Exact_Mass	102.068079557
6915836	Undefined_Bond_Stereo_Count	0
137993	Rotatable_Bond_Count	0
8571	Isotope_Atom_Count	0
25263111	Defined_Atom_Stereo_Count	0
135413528	Hydrogen_Bond_Donor_Count	1
14022509	Molecular_Weight	233.30
71463826	Exact_Mass	460.39164552
850873	Defined_Atom_Stereo_Count	0
88937798	XLogP3-AA	0.4
99646539	Undefined_Atom_Stereo_Count	0
590907	Non-hydrogen_Atom_Count	12
54541930	Rotatable_Bond_Count	3
102515443	Hydrogen_Bond_Acceptor_Count	12
19918535	Mono_Isotopic_Weight	97.052763847
42725	Mono_Isotopic_Weight	227.105862047
24865390	Non-hydrogen_Atom_Count	22
448513	Total_Formal_Charge	0
124946	TPSA	46.6
9885850	Structure_Complexity	552
23665760	Exact_Mass	73.9535366
253186	Covalent_Unit_Count	1
16689337	Undefined_Bond_Stereo_Count	0
7085	Rotatable_Bond_Count	1
6093241	TPSA	81.3
656587	TPSA	59.1
8911	Undefined_Atom_Stereo_Count	0
344	Isotope_Atom_Count	0
5280493	Undefined_Atom_Stereo_Count	0
61812	Hydrogen_Bond_Donor_Count	0
57401680	Hydrogen_Bond_Acceptor_Count	5
13450501	Structure_Complexity	53.9
65013	Undefined_Bond_Stereo_Count	0
107640	Defined_Bond_Stereo_Count	0
16004	Exact_Mass	230.899010
12444299	Exact_Mass	542.16913372
4619	Undefined_Atom_Stereo_Count	0
2167	Isotope_Atom_Count	0
17779323	Hydrogen_Bond_Acceptor_Count	1
123600	Isotope_Atom_Count	0
13444042	Molecular_Weight	108.14
60196425	Defined_Bond_Stereo_Count	0
1342	Structure_Complexity	223
17276	TPSA	92.8
411312	Total_Formal_Charge	0
10946	Undefined_Atom_Stereo_Count	0
8901	XLogP3-AA	1.2
62305	Hydrogen_Bond_Donor_Count	2
55287187	Defined_Bond_Stereo_Count	0
135487856	Hydrogen_Bond_Donor_Count	2
46205408	Non-hydrogen_Atom_Count	43
46877881	Molecular_Weight	813.9
85500	Rotatable_Bond_Count	6
11965427	TPSA	142
12444346	Tautomer_Count	1
542680	Structure_Complexity	72.1
12616098	Covalent_Unit_Count	1
8430	XLogP3-AA	3.5
118984450	Exact_Mass	5805.6443599
9939627	Molecular_Weight	667.8
52993227	Hydrogen_Bond_Acceptor_Count	9
44578617	Rotatable_Bond_Count	6
13315542	Covalent_Unit_Count	1
3058754	TPSA	95.6
1573	Covalent_Unit_Count	1
3080753	Undefined_Atom_Stereo_Count	0
22747783	Structure_Complexity	90.2
23663404	Total_Formal_Charge	0
3000506	Defined_Atom_Stereo_Count	2
129508	Exact_Mass	416.009740
5287890	Undefined_Bond_Stereo_Count	0
5281894	Defined_Atom_Stereo_Count	0
93320	TPSA	49.1
5484735	Tautomer_Count	14
2737121	Mono_Isotopic_Weight	214.074227566
2764874	Covalent_Unit_Count	1
88867195	Exact_Mass	113.120449483
17750388	Structure_Complexity	69.7
508194	Structure_Complexity	1090
672296	Rotatable_Bond_Count	1
68526	Undefined_Bond_Stereo_Count	0
15732693	Undefined_Atom_Stereo_Count	1
9870	TPSA	51.8
39534	Rotatable_Bond_Count	2
12529691	Undefined_Bond_Stereo_Count	0
643327	Defined_Atom_Stereo_Count	1
45356872	TPSA	124
13350797	Defined_Bond_Stereo_Count	0
129670580	Covalent_Unit_Count	1
104276798	Hydrogen_Bond_Donor_Count	2
31260	Molecular_Weight	88.15
572516	Defined_Bond_Stereo_Count	0
4211	Mono_Isotopic_Weight	317.953661
85828788	TPSA	57.5
449242	Covalent_Unit_Count	1
14557074	Hydrogen_Bond_Acceptor_Count	3
121881	Undefined_Atom_Stereo_Count	0
53746047	Defined_Atom_Stereo_Count	0
84076	XLogP3	1.4
18626413	Defined_Bond_Stereo_Count	0
6450478	Exact_Mass	340.08163887
9999	Hydrogen_Bond_Donor_Count	0
134693629	Structure_Complexity	140
135484176	Rotatable_Bond_Count	17
66769579	Rotatable_Bond_Count	0
520780	Mono_Isotopic_Weight	87.068413911
3076	XLogP3-AA	3.1
12076	Undefined_Bond_Stereo_Count	0
587128	Non-hydrogen_Atom_Count	11
129491	Hydrogen_Bond_Donor_Count	0
65784	Covalent_Unit_Count	1
56658438	Rotatable_Bond_Count	10
10251	Hydrogen_Bond_Acceptor_Count	2
17132	Mono_Isotopic_Weight	178.135765193
65376195	Hydrogen_Bond_Donor_Count	0
644017	Total_Formal_Charge	0
62731702	Rotatable_Bond_Count	1
8411	Hydrogen_Bond_Acceptor_Count	4
777	Rotatable_Bond_Count	1
7020657	Undefined_Bond_Stereo_Count	0
10301015	Covalent_Unit_Count	1
95659	Total_Formal_Charge	0
68895	XLogP3-AA	1.3
13452165	Isotope_Atom_Count	0
4659569	Molecular_Weight	273.24
132236745	Exact_Mass	112.100048391
44235958	Isotope_Atom_Count	0
20448997	Defined_Atom_Stereo_Count	0
70691395	Undefined_Atom_Stereo_Count	0
103446246	Rotatable_Bond_Count	1
135451156	Hydrogen_Bond_Acceptor_Count	3
2103	Covalent_Unit_Count	1
636364	Molecular_Weight	549.6
23558714	Rotatable_Bond_Count	11
9200	Undefined_Bond_Stereo_Count	0
10306	XLogP3-AA	3.3
87251056	XLogP3-AA	0.3
13551	Total_Formal_Charge	0
140291701	Covalent_Unit_Count	1
168131	Rotatable_Bond_Count	0
38455	Total_Formal_Charge	0
19380118	Total_Formal_Charge	0
53774272	Hydrogen_Bond_Donor_Count	1
2762895	Non-hydrogen_Atom_Count	8
7221	Mono_Isotopic_Weight	134.01902136
36037	Defined_Bond_Stereo_Count	0
91037	Total_Formal_Charge	0
90592	Total_Formal_Charge	0
94310	Mono_Isotopic_Weight	234.161979940
24802163	Defined_Atom_Stereo_Count	3
6992563	Defined_Atom_Stereo_Count	2
82418996	Molecular_Weight	109.09
2748718	Mono_Isotopic_Weight	218.04399007
637932	Exact_Mass	84.05512859
129009962	Hydrogen_Bond_Acceptor_Count	28
69957602	Exact_Mass	113.084063974
20839131	Non-hydrogen_Atom_Count	16
72038	Molecular_Weight	295.4
46199646	Rotatable_Bond_Count	8
162302	Molecular_Weight	291.4
10409873	Hydrogen_Bond_Acceptor_Count	7
5053	Covalent_Unit_Count	1
78438	Undefined_Atom_Stereo_Count	0
13642940	Covalent_Unit_Count	1
161129	Non-hydrogen_Atom_Count	5
54561127	Structure_Complexity	117
5388906	Structure_Complexity	715
76152	Undefined_Bond_Stereo_Count	0
135413496	Undefined_Atom_Stereo_Count	0
14872976	XLogP3-AA	0.9
70111	Undefined_Atom_Stereo_Count	0
16080117	Rotatable_Bond_Count	2
35654	Isotope_Atom_Count	0
165664742	Mono_Isotopic_Weight	98.036779430
64772	Structure_Complexity	694
46274	Hydrogen_Bond_Donor_Count	1
2155	TPSA	67.2
4156734	Hydrogen_Bond_Acceptor_Count	10
131634493	Hydrogen_Bond_Acceptor_Count	35
22563962	Hydrogen_Bond_Donor_Count	0
1179	Exact_Mass	836.27523133
25050	Exact_Mass	261.0516336
57054	Defined_Atom_Stereo_Count	0
71307	Total_Formal_Charge	0
62781	Total_Formal_Charge	0
66662059	Molecular_Weight	467.5
6453528	Non-hydrogen_Atom_Count	21
45085047	Structure_Complexity	139
48068	Covalent_Unit_Count	3
9817140	Non-hydrogen_Atom_Count	21
3613389	Non-hydrogen_Atom_Count	11
2803172	Undefined_Bond_Stereo_Count	0
15398666	Total_Formal_Charge	0
4205	Hydrogen_Bond_Acceptor_Count	3
129654479	Exact_Mass	84.021129366
66062	Molecular_Weight	407.0
644113	Molecular_Weight	363.2
657272	Structure_Complexity	233
1585857	Undefined_Atom_Stereo_Count	0
64919786	Total_Formal_Charge	0
16135625	Exact_Mass	1410.67744153
62313	TPSA	171
10101	Tautomer_Count	6
135413539	Defined_Bond_Stereo_Count	2
10460	Undefined_Bond_Stereo_Count	1
91555191	Undefined_Atom_Stereo_Count	2
57750329	Hydrogen_Bond_Acceptor_Count	5
8386	Undefined_Atom_Stereo_Count	0
23702994	Molecular_Weight	719.7
22967031	Defined_Atom_Stereo_Count	0
7951	Hydrogen_Bond_Donor_Count	2
14307	Covalent_Unit_Count	1
53710320	Defined_Atom_Stereo_Count	0
11386761	Covalent_Unit_Count	1
117188816	TPSA	64.1
40666	Total_Formal_Charge	0
95362	Tautomer_Count	1
3956708	Defined_Bond_Stereo_Count	0
12459578	Isotope_Atom_Count	0
181976	Rotatable_Bond_Count	4
521962	XLogP3-AA	3.2
131668418	Exact_Mass	326.24570956
13710569	Defined_Bond_Stereo_Count	0
96029	Mono_Isotopic_Weight	175.038176411
101012	Mono_Isotopic_Weight	220.98165005
5463911	TPSA	38.7
60768	TPSA	45.9
74015886	Structure_Complexity	483
54266316	Rotatable_Bond_Count	2
22542	Covalent_Unit_Count	1
3086167	Total_Formal_Charge	0
520445	Hydrogen_Bond_Donor_Count	1
9852746	Total_Formal_Charge	0
44296776	Molecular_Weight	490.7
6419984	Structure_Complexity	274
162747	TPSA	26.3
372267	Structure_Complexity	401
59174488	Structure_Complexity	561
15325	XLogP3	2
10080379	Molecular_Weight	116.16
8316	Tautomer_Count	20
24197375	Hydrogen_Bond_Acceptor_Count	5
6819	Defined_Atom_Stereo_Count	0
84614	Exact_Mass	269.10519334
9543528	Undefined_Atom_Stereo_Count	0
51041	Undefined_Bond_Stereo_Count	0
57392872	Rotatable_Bond_Count	6
8900	XLogP3	4.4
185654	Undefined_Atom_Stereo_Count	0
69334516	Covalent_Unit_Count	1
71105	XLogP3-AA	1.9
225	Rotatable_Bond_Count	0
10297008	Hydrogen_Bond_Acceptor_Count	9
136420	Rotatable_Bond_Count	4
159269	Total_Formal_Charge	0
22353206	XLogP3-AA	0
6473878	Undefined_Bond_Stereo_Count	0
87035	Mono_Isotopic_Weight	192.126263138
156460742	Mono_Isotopic_Weight	117.078978594
6433586	Total_Formal_Charge	0
381	Total_Formal_Charge	0
25137678	Non-hydrogen_Atom_Count	20
103687	Tautomer_Count	1
1459	Hydrogen_Bond_Donor_Count	4
184644	Molecular_Weight	856.9
3800	Covalent_Unit_Count	1
79083	TPSA	40.5
11101	Isotope_Atom_Count	0
94215	Hydrogen_Bond_Donor_Count	2
43552	TPSA	0
3034319	TPSA	47.4
9989264	Hydrogen_Bond_Acceptor_Count	1
2723790	Molecular_Weight	76.12
121275199	Exact_Mass	112.088815002
57521	Hydrogen_Bond_Donor_Count	2
84733	Total_Formal_Charge	0
68658	Molecular_Weight	313.22
4707	Defined_Atom_Stereo_Count	0
57302612	Molecular_Weight	85.10
4054	Total_Formal_Charge	0
12185	Exact_Mass	120.02450067
9874248	Undefined_Bond_Stereo_Count	0
57473238	Hydrogen_Bond_Donor_Count	1
90936519	Rotatable_Bond_Count	15
14678666	Isotope_Atom_Count	0
54567	Undefined_Bond_Stereo_Count	0
25249	Hydrogen_Bond_Donor_Count	2
439165	TPSA	157
5257437	Defined_Bond_Stereo_Count	0
36689718	Molecular_Weight	117.15
10141893	Exact_Mass	503.07059
15077409	Defined_Bond_Stereo_Count	0
5288018	TPSA	135
71622657	Exact_Mass	304.157563266
1133320	Structure_Complexity	573
5324560	Defined_Atom_Stereo_Count	0
8225	Non-hydrogen_Atom_Count	28
90488914	Covalent_Unit_Count	1
945090	Covalent_Unit_Count	1
62452	Undefined_Bond_Stereo_Count	0
221387	XLogP3-AA	0.9
59567216	TPSA	41.1
460612	Mono_Isotopic_Weight	304.0745332
176907	Isotope_Atom_Count	0
54585032	Defined_Bond_Stereo_Count	0
509554	Exact_Mass	356.16371127
91773	Rotatable_Bond_Count	4
57401865	Total_Formal_Charge	0
57327016	Tautomer_Count	17
78538	XLogP3	2.5
3039	Defined_Bond_Stereo_Count	0
11851	Mono_Isotopic_Weight	178.04773803
11949646	Covalent_Unit_Count	1
9855284	Exact_Mass	1395.59695936
6993950	Isotope_Atom_Count	0
529197	Total_Formal_Charge	0
9576811	Rotatable_Bond_Count	5
11250647	Defined_Bond_Stereo_Count	0
13611195	Undefined_Bond_Stereo_Count	0
15721166	Defined_Atom_Stereo_Count	0
734	Rotatable_Bond_Count	8
33463	Hydrogen_Bond_Donor_Count	1
65272	Undefined_Atom_Stereo_Count	1
216322	Structure_Complexity	820
6918026	Total_Formal_Charge	0
153270	Tautomer_Count	48
72941779	Isotope_Atom_Count	0
6951525	Defined_Bond_Stereo_Count	0
2408	Undefined_Atom_Stereo_Count	1
528127	Non-hydrogen_Atom_Count	12
266052	Defined_Atom_Stereo_Count	0
14484	Total_Formal_Charge	0
212	Defined_Atom_Stereo_Count	0
12285863	TPSA	110
24744154	Exact_Mass	421.08833875
820	Mono_Isotopic_Weight	2027.1376331
122316	Structure_Complexity	212
91768	Tautomer_Count	1
121275199	Non-hydrogen_Atom_Count	8
9108	Defined_Atom_Stereo_Count	0
71697	Exact_Mass	304.0866221
23284	Undefined_Bond_Stereo_Count	0
60207207	Hydrogen_Bond_Acceptor_Count	2
167517	Rotatable_Bond_Count	5
13349550	Undefined_Atom_Stereo_Count	4
62336	Covalent_Unit_Count	1
5409	Hydrogen_Bond_Donor_Count	0
4259	Rotatable_Bond_Count	4
14818447	Rotatable_Bond_Count	0
20387231	Defined_Atom_Stereo_Count	0
156618034	Hydrogen_Bond_Acceptor_Count	11
164113877	Defined_Bond_Stereo_Count	0
11974215	Defined_Atom_Stereo_Count	0
69244	Mono_Isotopic_Weight	97.089149355
5651	Structure_Complexity	2960
69994	Defined_Atom_Stereo_Count	0
21311941	Defined_Atom_Stereo_Count	0
159374	Hydrogen_Bond_Donor_Count	0
67955	Total_Formal_Charge	0
60985	TPSA	26.3
14405863	Covalent_Unit_Count	1
141466486	Defined_Bond_Stereo_Count	0
85989631	Isotope_Atom_Count	0
154522874	Hydrogen_Bond_Donor_Count	1
521714	Defined_Bond_Stereo_Count	0
9901946	Defined_Atom_Stereo_Count	0
660	Hydrogen_Bond_Acceptor_Count	2
4888	Tautomer_Count	1
349252	Total_Formal_Charge	0
16685	Tautomer_Count	1
54078821	Mono_Isotopic_Weight	212.083729621
21943994	TPSA	185
9948588	Defined_Atom_Stereo_Count	0
9897	Mono_Isotopic_Weight	144.03981395
22172474	Hydrogen_Bond_Acceptor_Count	3
18805	Total_Formal_Charge	0
4231972	Non-hydrogen_Atom_Count	8
41384	Undefined_Atom_Stereo_Count	0
12634655	Exact_Mass	94.078250319
14675	Defined_Atom_Stereo_Count	0
10439	Defined_Atom_Stereo_Count	0
6918331	Defined_Bond_Stereo_Count	0
84811	Undefined_Atom_Stereo_Count	0
107169	Isotope_Atom_Count	0
21285	Hydrogen_Bond_Donor_Count	1
202	Isotope_Atom_Count	0
13129	Hydrogen_Bond_Donor_Count	0
20349001	Covalent_Unit_Count	1
20234583	TPSA	20.2
71453775	Isotope_Atom_Count	0
86614862	Molecular_Weight	358.2
46926350	Undefined_Atom_Stereo_Count	0
9903410	Mono_Isotopic_Weight	265.13140809
91433828	XLogP3-AA	4
1040	Covalent_Unit_Count	1
21439	Defined_Bond_Stereo_Count	0
119570	Mono_Isotopic_Weight	211.11431873
115076	Exact_Mass	443.1030542
11430	Defined_Bond_Stereo_Count	0
112029	TPSA	48.5
49866945	Defined_Bond_Stereo_Count	0
38207	Tautomer_Count	1
66764517	Undefined_Bond_Stereo_Count	0
11957721	Molecular_Weight	538.6
56840877	Molecular_Weight	371.25
62279	Structure_Complexity	457
14338	Hydrogen_Bond_Donor_Count	0
11145	Molecular_Weight	275.17
2723942	Undefined_Bond_Stereo_Count	0
1910825	Exact_Mass	369.19400834
5487888	Mono_Isotopic_Weight	397.05146094
24847884	Total_Formal_Charge	0
5463	Structure_Complexity	529
96277	Exact_Mass	200.0240218
221126	Mono_Isotopic_Weight	204.93885
6540640	Undefined_Bond_Stereo_Count	0
7078557	Exact_Mass	410.24570956
137849	Total_Formal_Charge	0
12729368	Undefined_Bond_Stereo_Count	0
145742	Structure_Complexity	103
10098	Mono_Isotopic_Weight	425.29299411
439196	Rotatable_Bond_Count	3
3033972	Covalent_Unit_Count	1
25159060	Non-hydrogen_Atom_Count	27
90451	Tautomer_Count	1
58969552	Rotatable_Bond_Count	1
31011	Mono_Isotopic_Weight	356.95754
10034579	Total_Formal_Charge	0
11594966	Non-hydrogen_Atom_Count	24
67828	Total_Formal_Charge	0
12309339	Undefined_Bond_Stereo_Count	0
6340	Covalent_Unit_Count	1
39034	Non-hydrogen_Atom_Count	32
6917681	Hydrogen_Bond_Donor_Count	3
456204	Mono_Isotopic_Weight	370.17533859
11957635	Structure_Complexity	272
5479527	Defined_Bond_Stereo_Count	1
57541268	Mono_Isotopic_Weight	391.20082506
29199	Undefined_Atom_Stereo_Count	0
6437877	Rotatable_Bond_Count	12
63100	Mono_Isotopic_Weight	289.922361
56659408	Structure_Complexity	615
71311162	Defined_Atom_Stereo_Count	8
161664	Mono_Isotopic_Weight	439.36615904
97429	Hydrogen_Bond_Donor_Count	1
6677	Non-hydrogen_Atom_Count	34
1548	TPSA	290
74262	Defined_Bond_Stereo_Count	0
726370	Defined_Atom_Stereo_Count	0
6096880	Covalent_Unit_Count	5
671690	Total_Formal_Charge	0
533933	TPSA	78.4
121409291	Mono_Isotopic_Weight	111.068413911
866430	Rotatable_Bond_Count	3
68566969	Defined_Bond_Stereo_Count	0
19100324	Undefined_Bond_Stereo_Count	0
10478	Hydrogen_Bond_Donor_Count	0
375912	Defined_Bond_Stereo_Count	0
51003661	Structure_Complexity	382
138394156	Isotope_Atom_Count	0
11560610	Isotope_Atom_Count	0
68871182	TPSA	23.8
58096	XLogP3	4
56972759	Isotope_Atom_Count	0
77233	Molecular_Weight	163.29
88670	Non-hydrogen_Atom_Count	13
6444186	Non-hydrogen_Atom_Count	69
91590871	Hydrogen_Bond_Acceptor_Count	3
4526530	Hydrogen_Bond_Acceptor_Count	3
9888075	Covalent_Unit_Count	2
67641738	Mono_Isotopic_Weight	180.06338810
4308	TPSA	75.6
5281037	Isotope_Atom_Count	0
90409366	Defined_Atom_Stereo_Count	1
23427989	Mono_Isotopic_Weight	1075.72835490
4282	Covalent_Unit_Count	1
129636415	Molecular_Weight	492.6
11548	Total_Formal_Charge	0
84393	Defined_Bond_Stereo_Count	0
101547110	Hydrogen_Bond_Donor_Count	0
6432640	Hydrogen_Bond_Donor_Count	1
12760717	TPSA	56.7
22160	Rotatable_Bond_Count	6
71560661	Non-hydrogen_Atom_Count	18
84647683	Molecular_Weight	113.12
16129672	Defined_Atom_Stereo_Count	52
53315110	TPSA	56.8
130642949	Non-hydrogen_Atom_Count	8
67065	Mono_Isotopic_Weight	315.05652907
7528	Total_Formal_Charge	0
59347	Hydrogen_Bond_Acceptor_Count	2
91302105	XLogP3-AA	0.3
3754	Hydrogen_Bond_Acceptor_Count	5
444779	Mono_Isotopic_Weight	175.92757639
16089914	Molecular_Weight	436.3
78281	Mono_Isotopic_Weight	156.98336413
79297905	Molecular_Weight	97.12
20200448	Undefined_Bond_Stereo_Count	0
15590756	Defined_Atom_Stereo_Count	0
13059495	Tautomer_Count	2
12688	Undefined_Bond_Stereo_Count	0
13600041	XLogP3-AA	1.6
30529	Undefined_Atom_Stereo_Count	0
44151464	Non-hydrogen_Atom_Count	16
57330419	Defined_Bond_Stereo_Count	0
19347790	Molecular_Weight	116.08
71584421	Rotatable_Bond_Count	5
637516	Structure_Complexity	74.6
65898	Total_Formal_Charge	0
62705687	Defined_Atom_Stereo_Count	0
8626	Total_Formal_Charge	0
135424747	Undefined_Bond_Stereo_Count	0
44476451	Exact_Mass	468.0910560
57398166	Structure_Complexity	605
13268340	Mono_Isotopic_Weight	112.063662883
91591	Mono_Isotopic_Weight	143.0137915
448803	Non-hydrogen_Atom_Count	32
28031	Molecular_Weight	99.09
263086	Hydrogen_Bond_Donor_Count	1
84337	Hydrogen_Bond_Donor_Count	1
75103	Mono_Isotopic_Weight	90.068079557
18732336	Defined_Bond_Stereo_Count	0
117569443	Total_Formal_Charge	0
10844548	Molecular_Weight	113.12
146364	Exact_Mass	504.25233168
435360	Hydrogen_Bond_Acceptor_Count	7
67966489	Mono_Isotopic_Weight	111.032028402
123831	Covalent_Unit_Count	1
35492	XLogP3-AA	4.2
539001	TPSA	17.1
5509	Defined_Atom_Stereo_Count	0
6652	TPSA	17.1
5480431	Hydrogen_Bond_Donor_Count	5
87380	Defined_Bond_Stereo_Count	0
559072	Covalent_Unit_Count	1
565900	Tautomer_Count	3
637978	Exact_Mass	98.073164938
13034936	Hydrogen_Bond_Donor_Count	1
129630422	Structure_Complexity	1410
11080426	Mono_Isotopic_Weight	299.17193023
6003	Hydrogen_Bond_Donor_Count	0
6710780	Non-hydrogen_Atom_Count	59
136325	Mono_Isotopic_Weight	106.078250319
40818	Exact_Mass	152.00693585
129794341	Undefined_Bond_Stereo_Count	0
5384411	Undefined_Bond_Stereo_Count	0
146395	Mono_Isotopic_Weight	504.1946483
25138049	Mono_Isotopic_Weight	381.10079392
20441	Defined_Atom_Stereo_Count	0
11596	Isotope_Atom_Count	0
16682935	Structure_Complexity	205
13416	Structure_Complexity	126
36274	Defined_Bond_Stereo_Count	0
518996	Defined_Atom_Stereo_Count	0
154067559	Isotope_Atom_Count	0
133119249	Non-hydrogen_Atom_Count	12
12933763	Hydrogen_Bond_Acceptor_Count	1
55889	Hydrogen_Bond_Donor_Count	2
1438150	XLogP3-AA	2.6
54114222	Hydrogen_Bond_Donor_Count	0
34127	Mono_Isotopic_Weight	513.99936503
87280027	Exact_Mass	112.027277375
53846420	XLogP3-AA	5.1
91779	Defined_Bond_Stereo_Count	0
107327	Isotope_Atom_Count	0
10263	Hydrogen_Bond_Donor_Count	0
636523	Structure_Complexity	358
7198	TPSA	52.6
25142313	Covalent_Unit_Count	1
126969105	XLogP3	3.7
364	Hydrogen_Bond_Acceptor_Count	4
10143016	Defined_Bond_Stereo_Count	0
224242	Undefined_Atom_Stereo_Count	1
65979	Rotatable_Bond_Count	2
51029603	Total_Formal_Charge	0
141112	Undefined_Bond_Stereo_Count	0
18506421	Covalent_Unit_Count	1
68396089	Defined_Bond_Stereo_Count	0
7154	Rotatable_Bond_Count	3
72805	Exact_Mass	262.18925731
57403815	Defined_Atom_Stereo_Count	2
24238	Hydrogen_Bond_Donor_Count	21
153274329	Covalent_Unit_Count	1
81867	TPSA	37.4
140850	Rotatable_Bond_Count	0
16678600	XLogP3-AA	0.6
15412227	Molecular_Weight	95.14
5702094	Defined_Atom_Stereo_Count	3
87323627	Mono_Isotopic_Weight	111.068413911
14081616	Covalent_Unit_Count	1
11731903	Undefined_Atom_Stereo_Count	0
47328	Defined_Atom_Stereo_Count	1
11593	Isotope_Atom_Count	0
24181476	Defined_Atom_Stereo_Count	0
20644245	Structure_Complexity	77.4
5282403	Structure_Complexity	382
75460	Total_Formal_Charge	0
117188942	Covalent_Unit_Count	1
9915886	Rotatable_Bond_Count	7
135398735	Undefined_Bond_Stereo_Count	0
7371	Total_Formal_Charge	0
10378	Undefined_Atom_Stereo_Count	0
17834171	Molecular_Weight	101.15
14012376	Covalent_Unit_Count	1
98608	Total_Formal_Charge	0
14954371	Hydrogen_Bond_Donor_Count	1
93154	Undefined_Atom_Stereo_Count	1
11957654	Isotope_Atom_Count	0
6995013	Defined_Atom_Stereo_Count	1
139591683	Hydrogen_Bond_Acceptor_Count	3
40428945	Exact_Mass	123.019452343
13978	Structure_Complexity	507
15510	Covalent_Unit_Count	1
71456725	Isotope_Atom_Count	0
9799942	Total_Formal_Charge	0
40073	Molecular_Weight	462.5
31361	Molecular_Weight	132.20
14120	Isotope_Atom_Count	0
88598	Tautomer_Count	1
11761	Structure_Complexity	220
534258	Defined_Bond_Stereo_Count	0
5464190	Exact_Mass	480.12496023
18719	Rotatable_Bond_Count	5
219104	Tautomer_Count	1
11988953	Tautomer_Count	1
544629	Isotope_Atom_Count	0
6476006	Mono_Isotopic_Weight	230.094294304
31772	Defined_Bond_Stereo_Count	0
26710	Defined_Atom_Stereo_Count	0
8398	Non-hydrogen_Atom_Count	25
66703794	Structure_Complexity	197
71011	Total_Formal_Charge	0
1549000	Mono_Isotopic_Weight	388.1553704
155907178	Hydrogen_Bond_Acceptor_Count	4
78858	Structure_Complexity	199
67379186	Undefined_Atom_Stereo_Count	0
13756	Defined_Atom_Stereo_Count	0
6919026	XLogP3	1.8
23532160	TPSA	25
690	Non-hydrogen_Atom_Count	10
30380	TPSA	29.1
74236	Tautomer_Count	1
80399	Mono_Isotopic_Weight	714.15396894
57469742	Exact_Mass	114.031694049
86369	Mono_Isotopic_Weight	385.9818731
21562395	Molecular_Weight	97.16
53678703	Non-hydrogen_Atom_Count	8
77317	Defined_Bond_Stereo_Count	0
114840	Defined_Bond_Stereo_Count	0
11947765	Covalent_Unit_Count	1
12524131	Hydrogen_Bond_Acceptor_Count	1
579338	Undefined_Bond_Stereo_Count	0
8987	Undefined_Bond_Stereo_Count	0
59296114	Exact_Mass	480.1131242
56846324	Exact_Mass	339.992530
141738	Hydrogen_Bond_Acceptor_Count	0
208901	Covalent_Unit_Count	1
82191	Structure_Complexity	78.5
33344	Rotatable_Bond_Count	0
71206	Non-hydrogen_Atom_Count	49
91412269	Non-hydrogen_Atom_Count	17
165367979	Structure_Complexity	2140
62130	Defined_Atom_Stereo_Count	0
564206	Isotope_Atom_Count	0
616651	Hydrogen_Bond_Donor_Count	1
21952893	Isotope_Atom_Count	0
556685	Rotatable_Bond_Count	0
949296	Hydrogen_Bond_Acceptor_Count	4
44563177	Rotatable_Bond_Count	5
16211984	Non-hydrogen_Atom_Count	12
119081	Isotope_Atom_Count	0
20038	Hydrogen_Bond_Donor_Count	0
3047822	Total_Formal_Charge	0
13707495	Rotatable_Bond_Count	1
9007	Undefined_Bond_Stereo_Count	0
3032572	Molecular_Weight	226.4
15482356	Undefined_Atom_Stereo_Count	1
3877	Hydrogen_Bond_Acceptor_Count	4
205954	TPSA	211
6115	Isotope_Atom_Count	0
5284553	Undefined_Bond_Stereo_Count	0
30981	Defined_Bond_Stereo_Count	0
5365794	Hydrogen_Bond_Donor_Count	0
54870	Undefined_Atom_Stereo_Count	1
16115747	Molecular_Weight	420.5
9881884	Defined_Bond_Stereo_Count	0
10058	Isotope_Atom_Count	0
140920	Exact_Mass	68.001062628
54106053	Total_Formal_Charge	0
56955285	Rotatable_Bond_Count	3
5460029	Defined_Bond_Stereo_Count	0
12151528	Structure_Complexity	56
19169	Non-hydrogen_Atom_Count	8
91878	Isotope_Atom_Count	0
11995188	Total_Formal_Charge	0
54014224	Molecular_Weight	103.12
122600	Rotatable_Bond_Count	19
4689	Defined_Atom_Stereo_Count	0
113646	Undefined_Atom_Stereo_Count	0
3588	Structure_Complexity	634
77243	Total_Formal_Charge	0
10236037	Mono_Isotopic_Weight	173.141578849
9871420	Undefined_Bond_Stereo_Count	0
18470	Hydrogen_Bond_Acceptor_Count	0
86439	Hydrogen_Bond_Donor_Count	0
183797	Undefined_Bond_Stereo_Count	0
971023	XLogP3-AA	5.1
11741	Hydrogen_Bond_Donor_Count	2
9934032	Defined_Atom_Stereo_Count	0
10997120	Total_Formal_Charge	0
20055121	Undefined_Atom_Stereo_Count	1
118459248	Covalent_Unit_Count	1
134695356	TPSA	194
45120331	TPSA	12.5
10148984	Undefined_Bond_Stereo_Count	0
68511084	Structure_Complexity	848
79045	Isotope_Atom_Count	0
20306062	Structure_Complexity	97
1374121	XLogP3-AA	4.3
53316382	Undefined_Atom_Stereo_Count	0
12731218	Structure_Complexity	111
227541	Tautomer_Count	1
1353	Hydrogen_Bond_Donor_Count	2
13166770	XLogP3-AA	1.5
8106	Hydrogen_Bond_Donor_Count	1
163000376	Structure_Complexity	725
9960287	Rotatable_Bond_Count	10
25185057	Covalent_Unit_Count	1
130509102	Mono_Isotopic_Weight	114.079312947
57445155	TPSA	29.5
27428	Non-hydrogen_Atom_Count	14
788	TPSA	382
5230726	Defined_Atom_Stereo_Count	0
30590	XLogP3-AA	4.8
91170688	Hydrogen_Bond_Acceptor_Count	3
168381	Undefined_Atom_Stereo_Count	0
444514	Isotope_Atom_Count	0
13192443	Hydrogen_Bond_Acceptor_Count	2
8390	Isotope_Atom_Count	0
5903	Exact_Mass	570.25120612
39040	Exact_Mass	189.03606841
41508	Isotope_Atom_Count	0
40230	Molecular_Weight	203.24
13625	Defined_Bond_Stereo_Count	0
535856	XLogP3-AA	1
12278607	Total_Formal_Charge	0
77515	Hydrogen_Bond_Donor_Count	0
45116609	Molecular_Weight	101.15
5493444	Hydrogen_Bond_Donor_Count	4
145606779	Defined_Bond_Stereo_Count	0
163883593	Undefined_Atom_Stereo_Count	0
5281650	Non-hydrogen_Atom_Count	30
2220	Undefined_Bond_Stereo_Count	4
713	Mono_Isotopic_Weight	45.021463719
9887537	Molecular_Weight	405.5
7248	Isotope_Atom_Count	0
20674252	Defined_Atom_Stereo_Count	0
2710	Exact_Mass	300.1393264
23350	XLogP3-AA	0
131724228	Molecular_Weight	1344.4
441344	Defined_Bond_Stereo_Count	0
543855	Hydrogen_Bond_Donor_Count	1
7098	XLogP3	4.6
657237	Rotatable_Bond_Count	2
97368	Exact_Mass	147.05315777
98017	Total_Formal_Charge	0
10866285	Mono_Isotopic_Weight	110.084398327
72734520	Undefined_Bond_Stereo_Count	0
405012	Hydrogen_Bond_Acceptor_Count	3
7121	Non-hydrogen_Atom_Count	13
77146632	Rotatable_Bond_Count	0
44409094	Structure_Complexity	519
94910	XLogP3	4.4
99456	Rotatable_Bond_Count	0
117065485	TPSA	110
30278	Mono_Isotopic_Weight	299.1652068
49799987	Covalent_Unit_Count	2
52141942	Hydrogen_Bond_Acceptor_Count	1
43899	Mono_Isotopic_Weight	626.15537
81058	Hydrogen_Bond_Donor_Count	1
86278404	Mono_Isotopic_Weight	180.06338810
9877351	Undefined_Bond_Stereo_Count	0
12561970	Hydrogen_Bond_Donor_Count	0
58996537	Hydrogen_Bond_Donor_Count	1
23724962	Defined_Bond_Stereo_Count	0
12548640	Hydrogen_Bond_Acceptor_Count	2
9831652	Defined_Bond_Stereo_Count	0
54601151	Defined_Atom_Stereo_Count	6
12291440	Undefined_Bond_Stereo_Count	0
15565412	Total_Formal_Charge	0
69684	Covalent_Unit_Count	1
42521	Total_Formal_Charge	0
3968000	Mono_Isotopic_Weight	421.22599969
68647	TPSA	39.8
617	Rotatable_Bond_Count	2
44629654	Mono_Isotopic_Weight	220.170139325
49857672	Total_Formal_Charge	0
61207	Rotatable_Bond_Count	2
20550156	Isotope_Atom_Count	0
21157625	Non-hydrogen_Atom_Count	14
534258	TPSA	20.2
11396600	Defined_Atom_Stereo_Count	5
3665684	Hydrogen_Bond_Donor_Count	0
15647432	Mono_Isotopic_Weight	112.052429494
153661366	Isotope_Atom_Count	0
104902	Total_Formal_Charge	0
118723025	Covalent_Unit_Count	1
51346588	Structure_Complexity	423
139057564	Undefined_Bond_Stereo_Count	0
18179173	Mono_Isotopic_Weight	130.099379685
79583	Exact_Mass	209.03242232
40030	Exact_Mass	176.06023127
5372683	Hydrogen_Bond_Donor_Count	1
6595	Tautomer_Count	2
12018	Tautomer_Count	1
76539	Defined_Bond_Stereo_Count	0
963699	Total_Formal_Charge	0
62774675	Rotatable_Bond_Count	3
184321	TPSA	3
1956	Hydrogen_Bond_Donor_Count	5
71795	Exact_Mass	324.183778013
3690	XLogP3	0.9
101642132	Structure_Complexity	90.4
20254	Hydrogen_Bond_Acceptor_Count	1
56840987	Exact_Mass	660.35096247
44590517	Non-hydrogen_Atom_Count	34
6009	Hydrogen_Bond_Acceptor_Count	3
59446219	Non-hydrogen_Atom_Count	47
62546	Rotatable_Bond_Count	18
84292	Defined_Atom_Stereo_Count	0
24813	Hydrogen_Bond_Acceptor_Count	1
53484290	Non-hydrogen_Atom_Count	8
197998	Total_Formal_Charge	0
156592059	Molecular_Weight	895.9
57760	Exact_Mass	422.2102984
108026	XLogP3-AA	2.5
161930	Hydrogen_Bond_Donor_Count	2
25102847	Hydrogen_Bond_Donor_Count	2
12077828	Molecular_Weight	348.4
28264	Hydrogen_Bond_Acceptor_Count	2
9543220	Structure_Complexity	400
9877	Structure_Complexity	76.9
51935	Defined_Atom_Stereo_Count	0
76224463	Covalent_Unit_Count	1
9962644	Mono_Isotopic_Weight	842.51400504
15558407	Exact_Mass	414.09508215
90777230	Molecular_Weight	114.10
2898	Structure_Complexity	503
52987927	Defined_Bond_Stereo_Count	0
69280558	Mono_Isotopic_Weight	115.038176411
18372143	Hydrogen_Bond_Donor_Count	0
10942665	Exact_Mass	154.062994177
6917789	Rotatable_Bond_Count	8
65584	Non-hydrogen_Atom_Count	12
162204726	Undefined_Atom_Stereo_Count	0
7456	Defined_Atom_Stereo_Count	0
21093792	Rotatable_Bond_Count	4
32802	Isotope_Atom_Count	0
6751	XLogP3-AA	3.6
10964459	Mono_Isotopic_Weight	116.047344113
10886	TPSA	26.3
54130	Rotatable_Bond_Count	5
138358	Mono_Isotopic_Weight	98.109550447
6154	Undefined_Atom_Stereo_Count	0
31573	Rotatable_Bond_Count	6
44480399	Total_Formal_Charge	0
184822	Hydrogen_Bond_Donor_Count	3
135398510	Tautomer_Count	36
4029	Defined_Atom_Stereo_Count	0
221125	Hydrogen_Bond_Acceptor_Count	9
23164725	Undefined_Bond_Stereo_Count	0
5311309	Exact_Mass	317.19909372
216208	Exact_Mass	505.26890461
135400456	Total_Formal_Charge	0
45259401	Hydrogen_Bond_Donor_Count	2
54120934	Molecular_Weight	99.09
153085381	Covalent_Unit_Count	1
16312	Hydrogen_Bond_Donor_Count	0
45138674	Hydrogen_Bond_Donor_Count	1
9799061	TPSA	113
10813969	Defined_Bond_Stereo_Count	0
9937952	Rotatable_Bond_Count	15
5324278	Defined_Atom_Stereo_Count	0
4944	Undefined_Atom_Stereo_Count	0
18684901	Hydrogen_Bond_Acceptor_Count	3
22123474	Undefined_Atom_Stereo_Count	1
145325785	Undefined_Bond_Stereo_Count	0
8501	Exact_Mass	173.9639201
322968	Mono_Isotopic_Weight	185.10519334
21133161	Hydrogen_Bond_Acceptor_Count	4
4099	Rotatable_Bond_Count	2
71584165	Hydrogen_Bond_Acceptor_Count	6
9226	Covalent_Unit_Count	1
27058	Rotatable_Bond_Count	14
39507	Isotope_Atom_Count	0
85859899	XLogP3-AA	0
105426984	Undefined_Atom_Stereo_Count	0
3427828	Non-hydrogen_Atom_Count	19
68437	Defined_Atom_Stereo_Count	0
57395308	XLogP3-AA	2
7071	Hydrogen_Bond_Acceptor_Count	4
635186	Hydrogen_Bond_Donor_Count	1
12202794	Non-hydrogen_Atom_Count	8
68296308	Defined_Bond_Stereo_Count	0
1001	Undefined_Bond_Stereo_Count	0
15541	Covalent_Unit_Count	1
94926	Hydrogen_Bond_Acceptor_Count	4
317459	Hydrogen_Bond_Acceptor_Count	1
201652	XLogP3-AA	3
41555	Undefined_Atom_Stereo_Count	0
20003	Mono_Isotopic_Weight	126.128274515
129909860	Undefined_Atom_Stereo_Count	0
20980871	Tautomer_Count	1
2799	Structure_Complexity	401
24191118	Defined_Bond_Stereo_Count	0
184900	Total_Formal_Charge	0
157820065	Total_Formal_Charge	0
5282182	Isotope_Atom_Count	0
119606	Defined_Atom_Stereo_Count	0
2933256	Covalent_Unit_Count	1
398661	Undefined_Bond_Stereo_Count	0
22602664	Mono_Isotopic_Weight	109.052763847
5502	Structure_Complexity	579
3955344	Exact_Mass	341.98101801
14969251	Mono_Isotopic_Weight	198.07122084
59810317	Mono_Isotopic_Weight	97.052763847
39034	Structure_Complexity	877
75634	Isotope_Atom_Count	0
16600	Total_Formal_Charge	0
5282037	TPSA	123
6538996	Hydrogen_Bond_Acceptor_Count	7
5362893	Isotope_Atom_Count	0
12123876	Structure_Complexity	271
601791	Hydrogen_Bond_Donor_Count	0
12936897	Undefined_Atom_Stereo_Count	1
54686843	Total_Formal_Charge	0
5280723	XLogP3	3.2
192630	Exact_Mass	622.26975203
12358970	Hydrogen_Bond_Donor_Count	0
4159	Exact_Mass	374.20932405
39700	Rotatable_Bond_Count	4
280	Defined_Atom_Stereo_Count	0
40496	XLogP3	6.8
13315542	Structure_Complexity	78
140152869	XLogP3-AA	1.1
9693	Rotatable_Bond_Count	4
23519822	Hydrogen_Bond_Donor_Count	3
129631468	Total_Formal_Charge	0
94543	Covalent_Unit_Count	1
34072	Mono_Isotopic_Weight	114.104465066
54519	Hydrogen_Bond_Donor_Count	2
9967	Undefined_Atom_Stereo_Count	0
146159711	Total_Formal_Charge	0
16409	Rotatable_Bond_Count	2
551387	Structure_Complexity	203
124246	Covalent_Unit_Count	1
21389388	Non-hydrogen_Atom_Count	7
10456134	Covalent_Unit_Count	1
13834698	Undefined_Bond_Stereo_Count	0
11084068	Tautomer_Count	1
704316	Structure_Complexity	631
51200	Rotatable_Bond_Count	3
585999	Undefined_Atom_Stereo_Count	0
5282230	Exact_Mass	327.11067264
5300	Hydrogen_Bond_Donor_Count	5
15826366	Undefined_Bond_Stereo_Count	0
38255	Mono_Isotopic_Weight	387.818595
89976630	Exact_Mass	107.037113783
637930	Molecular_Weight	78.07
158536	Defined_Atom_Stereo_Count	0
53318411	Hydrogen_Bond_Acceptor_Count	4
19979685	Molecular_Weight	112.13
146158371	XLogP3-AA	0.9
681274	Undefined_Atom_Stereo_Count	0
12259685	Rotatable_Bond_Count	2
23688461	Covalent_Unit_Count	2
20712539	Total_Formal_Charge	0
7255	Undefined_Bond_Stereo_Count	0
57704514	Structure_Complexity	384
15065	Undefined_Bond_Stereo_Count	0
68226	Exact_Mass	335.89723
18357	XLogP3	3
21359349	Hydrogen_Bond_Acceptor_Count	1
96917	Undefined_Bond_Stereo_Count	0
44416407	Defined_Atom_Stereo_Count	0
42626680	Mono_Isotopic_Weight	180.06338810
19966840	Hydrogen_Bond_Acceptor_Count	1
133886	Defined_Bond_Stereo_Count	0
71515466	Undefined_Atom_Stereo_Count	0
5353923	Molecular_Weight	634.7
135398737	Defined_Atom_Stereo_Count	0
6331075	Hydrogen_Bond_Donor_Count	2
89990880	Hydrogen_Bond_Acceptor_Count	12
82693	Total_Formal_Charge	0
11789136	XLogP3-AA	1
6995749	Undefined_Bond_Stereo_Count	0
153774065	Defined_Bond_Stereo_Count	0
195432	Tautomer_Count	1
11595	Covalent_Unit_Count	1
44629654	Covalent_Unit_Count	1
16843	Mono_Isotopic_Weight	195.89968
1429	Mono_Isotopic_Weight	280.20384475
69341007	Non-hydrogen_Atom_Count	8
12250	Defined_Atom_Stereo_Count	0
447030	Undefined_Bond_Stereo_Count	0
17912	Covalent_Unit_Count	1
10129907	Structure_Complexity	79
22035328	Total_Formal_Charge	0
10241	Tautomer_Count	1
73376	Exact_Mass	207.03877100
637991	Defined_Bond_Stereo_Count	0
11104792	Hydrogen_Bond_Donor_Count	3
23757	Rotatable_Bond_Count	4
274426	Undefined_Atom_Stereo_Count	4
442632	Covalent_Unit_Count	1
68052608	Rotatable_Bond_Count	0
25023854	Isotope_Atom_Count	0
64150	Total_Formal_Charge	0
15364	Undefined_Bond_Stereo_Count	0
643757	Defined_Atom_Stereo_Count	0
24848177	Defined_Atom_Stereo_Count	0
5487068	Covalent_Unit_Count	5
71713948	Molecular_Weight	357.8
14205264	Hydrogen_Bond_Acceptor_Count	4
25199798	TPSA	74.6
11332423	Hydrogen_Bond_Donor_Count	2
5943	Rotatable_Bond_Count	0
15566624	Structure_Complexity	100
394156	Undefined_Bond_Stereo_Count	0
86566	Covalent_Unit_Count	1
124846	Covalent_Unit_Count	1
1781	Total_Formal_Charge	0
11408688	Structure_Complexity	559
14570	Hydrogen_Bond_Acceptor_Count	1
18290	TPSA	41.6
398637	TPSA	120
137554722	Undefined_Bond_Stereo_Count	0
141429324	XLogP3-AA	0.5
5369258	Structure_Complexity	285
4165923	Total_Formal_Charge	0
54696637	Mono_Isotopic_Weight	319.08445790
119086017	Undefined_Atom_Stereo_Count	0
142882	Total_Formal_Charge	0
86369	Total_Formal_Charge	0
2576591	Total_Formal_Charge	0
78043	Molecular_Weight	112.13
31170	Rotatable_Bond_Count	0
44224136	Mono_Isotopic_Weight	381.21647512
13787747	Covalent_Unit_Count	3
11126191	Molecular_Weight	102.13
5282136	Exact_Mass	431.18787759
7021	TPSA	65
67757	Undefined_Bond_Stereo_Count	0
31357	Mono_Isotopic_Weight	266.16469634
237	Hydrogen_Bond_Donor_Count	1
166572	XLogP3	2.1
1718	Defined_Atom_Stereo_Count	0
16449	TPSA	0
38103	Undefined_Atom_Stereo_Count	0
42552739	Defined_Atom_Stereo_Count	10
13027931	Total_Formal_Charge	0
314533	Hydrogen_Bond_Donor_Count	2
59772685	Molecular_Weight	432.4
68081017	Defined_Atom_Stereo_Count	0
135300	Exact_Mass	122.90559
6360	Undefined_Atom_Stereo_Count	0
8871	Isotope_Atom_Count	0
501391	Exact_Mass	219.14705815
5281082	TPSA	222
12551755	Mono_Isotopic_Weight	99.032028402
537329	Undefined_Atom_Stereo_Count	1
46795	Molecular_Weight	302.21
122874	Structure_Complexity	152
21719953	Undefined_Bond_Stereo_Count	0
135546482	Covalent_Unit_Count	1
122108	Hydrogen_Bond_Donor_Count	7
53835225	XLogP3-AA	1.4
56955933	Mono_Isotopic_Weight	79.9687389
73013	TPSA	92.2
4322479	Mono_Isotopic_Weight	157.01974964
448133	Total_Formal_Charge	1
77302	Structure_Complexity	54.9
56626310	Molecular_Weight	226.27
53486446	Total_Formal_Charge	0
8188	Defined_Atom_Stereo_Count	0
84442	Hydrogen_Bond_Acceptor_Count	5
60503	Defined_Bond_Stereo_Count	0
154986845	XLogP3-AA	1.1
133371	Tautomer_Count	1
12942137	Total_Formal_Charge	0
15617	XLogP3-AA	0.4
422478	Mono_Isotopic_Weight	119.073499291
87063833	Isotope_Atom_Count	0
65815658	Molecular_Weight	115.09
10658	Exact_Mass	186.031694049
53814234	Molecular_Weight	101.10
147364829	Undefined_Bond_Stereo_Count	0
67578175	Total_Formal_Charge	0
13443454	Exact_Mass	98.073164938
447405	Hydrogen_Bond_Acceptor_Count	8
65256	Mono_Isotopic_Weight	423.067094
130038395	Defined_Bond_Stereo_Count	0
11137142	Isotope_Atom_Count	0
70111	Hydrogen_Bond_Acceptor_Count	2
12542086	Total_Formal_Charge	0
5477380	Hydrogen_Bond_Acceptor_Count	7
4684	Exact_Mass	128.0028925
57394706	Structure_Complexity	648
10895019	Covalent_Unit_Count	1
18382	Hydrogen_Bond_Acceptor_Count	2
60943	Exact_Mass	619.0946768
17736	Hydrogen_Bond_Acceptor_Count	0
65940	TPSA	129
36829	TPSA	55.8
447360	XLogP3-AA	2.1
2058	Exact_Mass	322.13174244
6479523	TPSA	173
34800	TPSA	25.8
18460546	Total_Formal_Charge	0
50983	Defined_Bond_Stereo_Count	0
20323899	Total_Formal_Charge	0
19778484	Molecular_Weight	112.13
8195	Non-hydrogen_Atom_Count	13
14276	Hydrogen_Bond_Acceptor_Count	1
36034	Mono_Isotopic_Weight	329.1294900
11508058	Isotope_Atom_Count	0
135398745	XLogP3-AA	2.9
82982	Hydrogen_Bond_Acceptor_Count	7
2111	Defined_Bond_Stereo_Count	0
8190	TPSA	47.9
9548828	Defined_Bond_Stereo_Count	0
6441094	Exact_Mass	1041.58722955
137705114	Defined_Atom_Stereo_Count	5
24874	TPSA	26
68313	Exact_Mass	165.115364102
24678	Molecular_Weight	333.2
104916	XLogP3-AA	3.2
3246495	Total_Formal_Charge	0
49440	TPSA	4.4
53325997	Structure_Complexity	695
22052176	Rotatable_Bond_Count	3
5281034	Exact_Mass	332.23514488
44629600	Structure_Complexity	973
61185	Undefined_Atom_Stereo_Count	0
52946209	TPSA	55.6
12873460	XLogP3-AA	1
41628	Non-hydrogen_Atom_Count	28
9871	Non-hydrogen_Atom_Count	7
17963199	Defined_Atom_Stereo_Count	0
7342	Exact_Mass	116.083729621
130567	Rotatable_Bond_Count	8
21662383	TPSA	17.1
42231	Undefined_Bond_Stereo_Count	0
524640	Covalent_Unit_Count	1
11179267	Undefined_Bond_Stereo_Count	0
29249	Molecular_Weight	326.5
79964	Hydrogen_Bond_Donor_Count	1
13487685	Structure_Complexity	58.6
44419235	Mono_Isotopic_Weight	341.11979803
88464430	TPSA	52.8
19427867	Rotatable_Bond_Count	0
64666310	Undefined_Bond_Stereo_Count	0
81829	Covalent_Unit_Count	1
224392	Molecular_Weight	159.23
64369	Defined_Bond_Stereo_Count	0
54170005	Undefined_Bond_Stereo_Count	1
91981561	Total_Formal_Charge	0
21651660	Non-hydrogen_Atom_Count	8
34055	Hydrogen_Bond_Acceptor_Count	0
5351141	Structure_Complexity	461
14129	Isotope_Atom_Count	0
11062343	XLogP3-AA	1.7
53903667	Total_Formal_Charge	0
14476155	Mono_Isotopic_Weight	324.14739250
978377	Undefined_Bond_Stereo_Count	0
520911	Covalent_Unit_Count	1
265370	Covalent_Unit_Count	1
136246379	Undefined_Atom_Stereo_Count	0
5362051	Mono_Isotopic_Weight	636.15196282
556684	Structure_Complexity	136
2775316	Covalent_Unit_Count	1
5458730	Undefined_Bond_Stereo_Count	0
6632	Defined_Bond_Stereo_Count	0
9970749	Total_Formal_Charge	0
55290736	Undefined_Bond_Stereo_Count	0
20746480	Molecular_Weight	108.10
2604	Hydrogen_Bond_Acceptor_Count	4
101725836	Undefined_Atom_Stereo_Count	0
155288862	Covalent_Unit_Count	2
44565819	Defined_Bond_Stereo_Count	0
19428628	Isotope_Atom_Count	0
31982	Undefined_Atom_Stereo_Count	0
1565	Defined_Bond_Stereo_Count	0
59283	TPSA	41
54949	Rotatable_Bond_Count	11
5424	Covalent_Unit_Count	1
57692074	Total_Formal_Charge	0
79003661	Rotatable_Bond_Count	2
77992	TPSA	70.9
101417707	Covalent_Unit_Count	1
136323	Hydrogen_Bond_Acceptor_Count	0
3613359	Structure_Complexity	22.8
8630	Undefined_Bond_Stereo_Count	0
6917835	Covalent_Unit_Count	5
7656	Isotope_Atom_Count	0
40438	Structure_Complexity	330
6579	Defined_Bond_Stereo_Count	0
28292	Isotope_Atom_Count	0
21792546	Isotope_Atom_Count	0
58938020	Undefined_Bond_Stereo_Count	0
1110	Rotatable_Bond_Count	3
11487	Total_Formal_Charge	0
11073566	Covalent_Unit_Count	1
7772	Mono_Isotopic_Weight	144.115029749
444036	Non-hydrogen_Atom_Count	34
13468167	TPSA	20.2
550925	Defined_Bond_Stereo_Count	0
408793	Defined_Bond_Stereo_Count	0
34627	XLogP3-AA	2.3
21438815	Structure_Complexity	99.9
12310749	Exact_Mass	398.354866087
24974448	Undefined_Atom_Stereo_Count	2
4216	Hydrogen_Bond_Acceptor_Count	4
38018	Undefined_Bond_Stereo_Count	0
10432339	Hydrogen_Bond_Acceptor_Count	6
3033521	Hydrogen_Bond_Donor_Count	5
135498233	Exact_Mass	165.02867436
8855	Isotope_Atom_Count	0
10946	Hydrogen_Bond_Acceptor_Count	3
443753	Tautomer_Count	3
3734	Total_Formal_Charge	0
558889	Total_Formal_Charge	0
119058385	Non-hydrogen_Atom_Count	28
19892314	Defined_Atom_Stereo_Count	0
53846436	Structure_Complexity	688
22500965	Defined_Atom_Stereo_Count	0
58774648	Isotope_Atom_Count	0
10287749	TPSA	44.8
6917857	Rotatable_Bond_Count	13
124202907	Hydrogen_Bond_Donor_Count	8
41967	Defined_Atom_Stereo_Count	0
12534276	Molecular_Weight	112.17
49769060	Mono_Isotopic_Weight	719.42446176
9396	Hydrogen_Bond_Donor_Count	0
5317	Hydrogen_Bond_Acceptor_Count	8
3899541	Rotatable_Bond_Count	0
63503	TPSA	48.4
2727	Mono_Isotopic_Weight	276.0335411
18378694	Hydrogen_Bond_Donor_Count	1
31250	Defined_Bond_Stereo_Count	0
398516	Defined_Atom_Stereo_Count	0
35775	Mono_Isotopic_Weight	286.12298928
105010	TPSA	58.6
11372270	Structure_Complexity	624
11228183	Structure_Complexity	1320
7861	TPSA	9.2
15995	Total_Formal_Charge	0
13464587	Rotatable_Bond_Count	0
49217	Isotope_Atom_Count	0
5354499	Isotope_Atom_Count	0
16760153	TPSA	43.4
154515422	Non-hydrogen_Atom_Count	8
23279533	Defined_Bond_Stereo_Count	0
9601	Non-hydrogen_Atom_Count	11
7321	Total_Formal_Charge	0
4441	Covalent_Unit_Count	1
88890	Defined_Atom_Stereo_Count	0
99645347	Structure_Complexity	415
54525833	Rotatable_Bond_Count	1
20232410	Covalent_Unit_Count	1
33576	Non-hydrogen_Atom_Count	36
60790	Structure_Complexity	529
447715	Tautomer_Count	1
40466988	Hydrogen_Bond_Acceptor_Count	7
441414	Hydrogen_Bond_Acceptor_Count	9
193581	Isotope_Atom_Count	0
71402	Defined_Bond_Stereo_Count	0
101210282	Mono_Isotopic_Weight	90.0469501914
6326975	Defined_Bond_Stereo_Count	0
18470	Molecular_Weight	427.6
6331075	Covalent_Unit_Count	2
11768551	TPSA	37.3
1216	Hydrogen_Bond_Acceptor_Count	6
17865	Structure_Complexity	214
71358911	Hydrogen_Bond_Donor_Count	0
2372	Defined_Bond_Stereo_Count	0
738	Molecular_Weight	146.14
565623	Exact_Mass	336.26644501
31201	Hydrogen_Bond_Donor_Count	0
59277765	Defined_Atom_Stereo_Count	0
23268532	Exact_Mass	118.062994177
446155	Non-hydrogen_Atom_Count	30
53728	Undefined_Atom_Stereo_Count	0
10237241	Undefined_Atom_Stereo_Count	0
6431771	Undefined_Atom_Stereo_Count	0
1032	Defined_Atom_Stereo_Count	0
17754772	Hydrogen_Bond_Acceptor_Count	4
5280891	Defined_Atom_Stereo_Count	4
98511	Non-hydrogen_Atom_Count	15
214273	Undefined_Atom_Stereo_Count	1
16640	Rotatable_Bond_Count	3
66636	Undefined_Atom_Stereo_Count	0
73945	Undefined_Bond_Stereo_Count	0
13191055	Hydrogen_Bond_Acceptor_Count	2
397614	Total_Formal_Charge	0
439312	Defined_Atom_Stereo_Count	3
75777	Hydrogen_Bond_Donor_Count	0
9875401	Isotope_Atom_Count	0
207	Undefined_Bond_Stereo_Count	0
87844	Undefined_Bond_Stereo_Count	0
2763054	Total_Formal_Charge	0
54295724	Defined_Bond_Stereo_Count	0
130028324	TPSA	61.1
31923	Exact_Mass	341.283098129
134593	Non-hydrogen_Atom_Count	8
58375	Defined_Bond_Stereo_Count	0
131705644	Defined_Atom_Stereo_Count	9
60096125	Exact_Mass	113.047678466
12644711	Non-hydrogen_Atom_Count	6
7179	XLogP3-AA	4.8
18622368	Total_Formal_Charge	0
64740	Exact_Mass	404.1117066
10709065	Defined_Bond_Stereo_Count	2
78148	Defined_Atom_Stereo_Count	0
3059	XLogP3	4.4
53639421	Molecular_Weight	206.24
62739	Molecular_Weight	258.23
6326983	Undefined_Bond_Stereo_Count	0
687604	Undefined_Bond_Stereo_Count	0
41663	Rotatable_Bond_Count	1
60977	Exact_Mass	323.188529040
7904	Exact_Mass	86.036779430
522946	Undefined_Atom_Stereo_Count	0
7020128	Defined_Atom_Stereo_Count	1
18712663	Hydrogen_Bond_Acceptor_Count	2
31252	Non-hydrogen_Atom_Count	8
25457	Total_Formal_Charge	0
166558989	Structure_Complexity	120
4184	Hydrogen_Bond_Acceptor_Count	2
2406	Rotatable_Bond_Count	2
5289389	TPSA	134
78597	Defined_Atom_Stereo_Count	0
7215	Exact_Mass	264.07886217
45944	Hydrogen_Bond_Donor_Count	1
11526696	Hydrogen_Bond_Donor_Count	3
123769339	Hydrogen_Bond_Acceptor_Count	2
13400	Covalent_Unit_Count	1
969108	Undefined_Atom_Stereo_Count	0
448285	Undefined_Atom_Stereo_Count	0
36822	Hydrogen_Bond_Acceptor_Count	2
40781	Hydrogen_Bond_Donor_Count	0
56955281	Rotatable_Bond_Count	3
3082532	Undefined_Atom_Stereo_Count	2
16683704	Total_Formal_Charge	0
72121	Structure_Complexity	378
33344	Molecular_Weight	149.60
12991	Exact_Mass	70.041864811
14286857	Mono_Isotopic_Weight	218.167065321
67496792	Total_Formal_Charge	0
509554	Covalent_Unit_Count	1
34800	Defined_Bond_Stereo_Count	0
9547928	Isotope_Atom_Count	0
5177120	Mono_Isotopic_Weight	115.039519081
21021867	Non-hydrogen_Atom_Count	8
11198850	Exact_Mass	348.115029749
14512	Total_Formal_Charge	0
237	Covalent_Unit_Count	1
6539020	Hydrogen_Bond_Donor_Count	1
23679441	Hydrogen_Bond_Acceptor_Count	13
641298	Structure_Complexity	163
69091	Covalent_Unit_Count	1
9517	Molecular_Weight	208.25
77051	Exact_Mass	190.062994177
24765417	Defined_Atom_Stereo_Count	0
70215286	Defined_Atom_Stereo_Count	0
135409535	Hydrogen_Bond_Donor_Count	4
11374717	Defined_Atom_Stereo_Count	1
57406911	Structure_Complexity	847
11503692	Isotope_Atom_Count	0
2690	Non-hydrogen_Atom_Count	20
24900749	Undefined_Atom_Stereo_Count	0
7702	Exact_Mass	150.104465066
59296114	Defined_Atom_Stereo_Count	1
8455	TPSA	20.2
74080	Non-hydrogen_Atom_Count	8
63404	Molecular_Weight	422.3
63407	Undefined_Bond_Stereo_Count	0
89033918	Defined_Bond_Stereo_Count	0
5367784	XLogP3	9.2
5311360	XLogP3	5.9
146808246	TPSA	21.9
13158	Covalent_Unit_Count	2
4953	TPSA	74.6
10882	TPSA	26.3
29131	Undefined_Bond_Stereo_Count	0
44395044	Molecular_Weight	499.6
33899	Mono_Isotopic_Weight	420.1815851
20695	Covalent_Unit_Count	1
11320923	Hydrogen_Bond_Donor_Count	1
520301	Hydrogen_Bond_Donor_Count	1
38253	Exact_Mass	285.935512
61120	Tautomer_Count	3
149086	Undefined_Atom_Stereo_Count	0
447587	TPSA	21.2
102506015	Hydrogen_Bond_Acceptor_Count	4
74087	Non-hydrogen_Atom_Count	6
137580	Structure_Complexity	55.4
60155458	Structure_Complexity	692
7020483	Covalent_Unit_Count	1
999	Hydrogen_Bond_Donor_Count	1
44561800	Exact_Mass	488.15182643
123400934	Defined_Bond_Stereo_Count	0
6246	Total_Formal_Charge	0
68672	Undefined_Atom_Stereo_Count	1
9803119	Structure_Complexity	652
163872484	TPSA	279
525424	Covalent_Unit_Count	1
67611425	Covalent_Unit_Count	1
123556697	Total_Formal_Charge	0
336423	Covalent_Unit_Count	1
547678	Defined_Bond_Stereo_Count	0
2531445	Undefined_Atom_Stereo_Count	0
4570	Defined_Bond_Stereo_Count	0
549318	Structure_Complexity	105
139030531	XLogP3-AA	4.1
2734040	Isotope_Atom_Count	0
133134	Undefined_Bond_Stereo_Count	0
3034048	Molecular_Weight	325.5
5062	Defined_Atom_Stereo_Count	0
95162202	Mono_Isotopic_Weight	342.11621151
42552713	Undefined_Bond_Stereo_Count	0
21343689	Exact_Mass	110.109550447
5362118	TPSA	135
4055843	Hydrogen_Bond_Acceptor_Count	3
5282109	TPSA	26.3
73348210	Defined_Atom_Stereo_Count	7
9934283	Defined_Atom_Stereo_Count	0
143034	Total_Formal_Charge	0
5356785	Defined_Atom_Stereo_Count	0
16218641	Tautomer_Count	1
36781	Undefined_Atom_Stereo_Count	1
328561	Rotatable_Bond_Count	1
9414	Tautomer_Count	2
20713453	Undefined_Atom_Stereo_Count	0
30905	Structure_Complexity	142
15587	Covalent_Unit_Count	2
10130270	Non-hydrogen_Atom_Count	14
11394	Defined_Atom_Stereo_Count	0
10197657	Total_Formal_Charge	0
16822	Undefined_Atom_Stereo_Count	0
3265	Isotope_Atom_Count	0
3374	Hydrogen_Bond_Acceptor_Count	5
12532405	Rotatable_Bond_Count	0
49866692	Mono_Isotopic_Weight	293.1294900
10347891	Undefined_Bond_Stereo_Count	0
3162	Exact_Mass	270.173213330
3657	Structure_Complexity	42.9
67411	Non-hydrogen_Atom_Count	21
57384039	Molecular_Weight	371.4
57346	Exact_Mass	496.1015358
102262612	Hydrogen_Bond_Donor_Count	0
3054609	Hydrogen_Bond_Acceptor_Count	8
59450	Structure_Complexity	432
11959081	Hydrogen_Bond_Donor_Count	1
644005	Defined_Atom_Stereo_Count	4
1382059	Structure_Complexity	113
57753	Covalent_Unit_Count	1
5284585	Isotope_Atom_Count	0
938021	Covalent_Unit_Count	1
2762647	Total_Formal_Charge	0
5663	Defined_Atom_Stereo_Count	0
533840	Structure_Complexity	39.2
69342090	Exact_Mass	108.032362755
6538972	TPSA	82.5
9869929	Molecular_Weight	483.9
7266	Undefined_Bond_Stereo_Count	0
135209752	Defined_Bond_Stereo_Count	0
2743	XLogP3	3.4
87282052	Mono_Isotopic_Weight	103.038176411
68783	Covalent_Unit_Count	1
23450	TPSA	63.3
23616864	Mono_Isotopic_Weight	361.875716
19607	Hydrogen_Bond_Acceptor_Count	5
188318	Undefined_Atom_Stereo_Count	0
4145994	Exact_Mass	340.03813897
62705687	Hydrogen_Bond_Donor_Count	3
158770620	TPSA	9.2
11551689	Non-hydrogen_Atom_Count	21
73946427	Isotope_Atom_Count	0
18370	Undefined_Atom_Stereo_Count	0
12628168	Structure_Complexity	118
42840	Mono_Isotopic_Weight	337.862653
16627	TPSA	26.3
18781684	Molecular_Weight	112.21
11088	Covalent_Unit_Count	1
81732	Defined_Bond_Stereo_Count	0
14120372	Molecular_Weight	120.15
40391	Hydrogen_Bond_Acceptor_Count	2
45488115	Covalent_Unit_Count	1
54677977	Rotatable_Bond_Count	2
54169757	Hydrogen_Bond_Donor_Count	3
6917959	Rotatable_Bond_Count	5
65287	Structure_Complexity	215
25293	Defined_Atom_Stereo_Count	0
65373	Undefined_Atom_Stereo_Count	0
15221251	Hydrogen_Bond_Acceptor_Count	7
10161305	Rotatable_Bond_Count	8
13015037	Exact_Mass	250.05244675
129631814	Defined_Atom_Stereo_Count	6
150986	Molecular_Weight	300.4
76957620	Defined_Bond_Stereo_Count	0
7635	Exact_Mass	172.146329876
67300	Hydrogen_Bond_Donor_Count	0
44135708	Molecular_Weight	190.13
21929	Molecular_Weight	237.64
11380	Molecular_Weight	257.76
33820	Isotope_Atom_Count	0
460612	TPSA	66.6
70383887	Covalent_Unit_Count	1
38316	Undefined_Bond_Stereo_Count	0
69827	Hydrogen_Bond_Donor_Count	0
51040	XLogP3-AA	4.8
13112619	TPSA	12
21497	Exact_Mass	157.04221642
83814961	Mono_Isotopic_Weight	111.068413911
60168097	Hydrogen_Bond_Donor_Count	0
124604783	Hydrogen_Bond_Donor_Count	3
10434	Non-hydrogen_Atom_Count	8
89811	Exact_Mass	107.073499291
55294	Isotope_Atom_Count	0
40903	Hydrogen_Bond_Donor_Count	0
67503	Structure_Complexity	95.2
140740	Rotatable_Bond_Count	0
6950337	XLogP3	1.3
9832383	Structure_Complexity	679
15037	Mono_Isotopic_Weight	147.068413911
5311217	Hydrogen_Bond_Donor_Count	1
31312	Non-hydrogen_Atom_Count	35
60977	XLogP3-AA	3.9
9934492	TPSA	213
53674114	Covalent_Unit_Count	1
90078292	Non-hydrogen_Atom_Count	7
460987	Defined_Atom_Stereo_Count	6
13200	Structure_Complexity	128
2819737	Mono_Isotopic_Weight	248.07970687
5268	Defined_Atom_Stereo_Count	0
38439	Undefined_Atom_Stereo_Count	0
12674802	XLogP3-AA	4.2
46205733	Non-hydrogen_Atom_Count	42
2115	Isotope_Atom_Count	0
25236	XLogP3-AA	6.2
86601564	Rotatable_Bond_Count	2
19884492	Non-hydrogen_Atom_Count	7
446871	Structure_Complexity	900
102959	Molecular_Weight	182.17
83859	Molecular_Weight	439.0
154808064	Isotope_Atom_Count	0
2734687	Hydrogen_Bond_Donor_Count	4
13867380	Mono_Isotopic_Weight	113.00884817
99987	Undefined_Atom_Stereo_Count	1
71184	XLogP3-AA	1
135724	Isotope_Atom_Count	0
5287468	Non-hydrogen_Atom_Count	37
70077074	Undefined_Bond_Stereo_Count	0
259577	Non-hydrogen_Atom_Count	30
39624	Hydrogen_Bond_Acceptor_Count	3
12202	Rotatable_Bond_Count	6
82362	Non-hydrogen_Atom_Count	46
2734389	Hydrogen_Bond_Donor_Count	2
7423	XLogP3	1.4
4136521	Total_Formal_Charge	0
11018809	Molecular_Weight	95.10
61124202	Total_Formal_Charge	0
5325710	Undefined_Atom_Stereo_Count	0
9833939	Undefined_Bond_Stereo_Count	0
20688852	Hydrogen_Bond_Acceptor_Count	2
4914117	Undefined_Bond_Stereo_Count	0
8581	Structure_Complexity	1450
7013	Hydrogen_Bond_Acceptor_Count	1
6437819	Undefined_Atom_Stereo_Count	0
15983287	Defined_Bond_Stereo_Count	0
123257569	Structure_Complexity	117
13006	Hydrogen_Bond_Donor_Count	0
15031685	Exact_Mass	114.079312947
3001860	Defined_Bond_Stereo_Count	0
1584822	Non-hydrogen_Atom_Count	21
214339	Mono_Isotopic_Weight	352.9614950
45055483	Covalent_Unit_Count	3
73918	TPSA	17.1
62118	Defined_Atom_Stereo_Count	0
167980	Hydrogen_Bond_Donor_Count	2
16665100	Rotatable_Bond_Count	11
71360	Isotope_Atom_Count	0
11724987	XLogP3-AA	0.7
40828	TPSA	73.1
4770990	Total_Formal_Charge	0
89580	Structure_Complexity	34.5
74736	Molecular_Weight	211.26
76344	Total_Formal_Charge	0
75220691	Rotatable_Bond_Count	9
3941	Defined_Atom_Stereo_Count	0
60196395	Rotatable_Bond_Count	2
524210	Undefined_Atom_Stereo_Count	0
2783363	Isotope_Atom_Count	0
13244862	Hydrogen_Bond_Acceptor_Count	0
46780441	Molecular_Weight	180.16
41893	Undefined_Bond_Stereo_Count	0
13848	Structure_Complexity	61.9
543880	Undefined_Atom_Stereo_Count	2
18445434	TPSA	41.1
15626755	Isotope_Atom_Count	0
49806720	Non-hydrogen_Atom_Count	36
13698	Covalent_Unit_Count	1
12228202	Total_Formal_Charge	0
115227	Rotatable_Bond_Count	1
18636	Tautomer_Count	1
57123750	Non-hydrogen_Atom_Count	85
11457	Molecular_Weight	202.01
6918663	Molecular_Weight	401.9
12209	Undefined_Atom_Stereo_Count	1
2449	Covalent_Unit_Count	1
17090	Isotope_Atom_Count	0
78431	Mono_Isotopic_Weight	239.09799996
118216	Hydrogen_Bond_Acceptor_Count	1
2723698	Undefined_Bond_Stereo_Count	0
95187	Mono_Isotopic_Weight	149.07014524
3623887	XLogP3	1.9
46936613	Isotope_Atom_Count	0
16129809	Undefined_Atom_Stereo_Count	3
19241	Covalent_Unit_Count	1
21705934	Defined_Bond_Stereo_Count	0
5347	Exact_Mass	820.53704916
3828	Hydrogen_Bond_Donor_Count	0
81415695	Structure_Complexity	107
118328333	Undefined_Atom_Stereo_Count	0
38089	Covalent_Unit_Count	1
143047391	Hydrogen_Bond_Donor_Count	1
57403176	Undefined_Atom_Stereo_Count	0
535197	Isotope_Atom_Count	0
12550422	Defined_Bond_Stereo_Count	0
5360886	TPSA	62.1
8453	Structure_Complexity	63.2
13187	Undefined_Bond_Stereo_Count	0
16224	Hydrogen_Bond_Acceptor_Count	1
237873	Tautomer_Count	1
5283468	TPSA	66.8
22447183	Covalent_Unit_Count	1
6438291	Tautomer_Count	2
58781694	Exact_Mass	115.063328530
6994151	Hydrogen_Bond_Acceptor_Count	2
158150	Tautomer_Count	1
2942	Structure_Complexity	215
67374618	Molecular_Weight	398.5
25904	XLogP3-AA	4.6
10171540	Hydrogen_Bond_Acceptor_Count	4
8553	Molecular_Weight	242.65
447196	TPSA	113
141869079	Hydrogen_Bond_Donor_Count	2
9170	Molecular_Weight	228.3
21324831	Rotatable_Bond_Count	2
17818	TPSA	46.2
57750364	Undefined_Atom_Stereo_Count	1
129628202	TPSA	440
6184667	Hydrogen_Bond_Acceptor_Count	3
20259182	Exact_Mass	108.093900383
102063093	Defined_Bond_Stereo_Count	0
18711507	Total_Formal_Charge	0
315	Isotope_Atom_Count	0
3965	Undefined_Atom_Stereo_Count	2
56841844	Covalent_Unit_Count	2
5281168	Covalent_Unit_Count	1
36671	TPSA	0
102192	Undefined_Bond_Stereo_Count	0
155295042	XLogP3-AA	11.5
23674215	Non-hydrogen_Atom_Count	18
159678	Molecular_Weight	324.27
5318998	Covalent_Unit_Count	1
161166	Undefined_Bond_Stereo_Count	0
22341858	Molecular_Weight	86.14
140334193	XLogP3-AA	0.2
39175	Undefined_Bond_Stereo_Count	0
140211	Defined_Atom_Stereo_Count	0
230976	TPSA	89.2
44395044	Total_Formal_Charge	0
23663954	Hydrogen_Bond_Donor_Count	0
65719	Undefined_Bond_Stereo_Count	0
61594	Hydrogen_Bond_Acceptor_Count	1
162649852	Hydrogen_Bond_Acceptor_Count	27
99342	Exact_Mass	358.240898965
130271321	Non-hydrogen_Atom_Count	8
89027469	Rotatable_Bond_Count	0
612	Tautomer_Count	1
65905	Structure_Complexity	333
11522448	Non-hydrogen_Atom_Count	20
9874838	Molecular_Weight	657.8
57396041	Hydrogen_Bond_Acceptor_Count	4
5188	Structure_Complexity	455
14184222	Rotatable_Bond_Count	2
18622366	Undefined_Atom_Stereo_Count	0
101944072	Defined_Bond_Stereo_Count	0
44521024	Isotope_Atom_Count	0
138510	Rotatable_Bond_Count	1
7117	Rotatable_Bond_Count	1
91399390	Isotope_Atom_Count	0
44134771	Hydrogen_Bond_Acceptor_Count	39
72941442	Isotope_Atom_Count	0
7232	Covalent_Unit_Count	1
22377554	Non-hydrogen_Atom_Count	8
19212	Defined_Bond_Stereo_Count	0
25202509	TPSA	216
3094	Defined_Atom_Stereo_Count	0
54688693	Total_Formal_Charge	0
116841944	Molecular_Weight	109.17
48188	Tautomer_Count	1
413260	Undefined_Bond_Stereo_Count	0
9543528	Structure_Complexity	122
607	Rotatable_Bond_Count	5
6437385	Mono_Isotopic_Weight	858.47655690
4676	Total_Formal_Charge	0
102681	XLogP3-AA	2.7
5463081	Tautomer_Count	1
32681	Total_Formal_Charge	0
6325382	Non-hydrogen_Atom_Count	22
53808	Mono_Isotopic_Weight	276.0553220
6373	Undefined_Bond_Stereo_Count	0
6995013	Defined_Bond_Stereo_Count	0
854418	Molecular_Weight	267.28
11326613	Isotope_Atom_Count	0
22650	Hydrogen_Bond_Acceptor_Count	5
85557	Non-hydrogen_Atom_Count	14
10321331	Exact_Mass	191.0753733
53838813	Hydrogen_Bond_Acceptor_Count	2
101175466	Structure_Complexity	136
3651	Exact_Mass	151.099714038
12079	Isotope_Atom_Count	0
33820	Molecular_Weight	321.5
407	Isotope_Atom_Count	0
541660	XLogP3-AA	1.3
44590402	Hydrogen_Bond_Acceptor_Count	4
9048	Covalent_Unit_Count	2
19993419	Undefined_Atom_Stereo_Count	1
12004418	Exact_Mass	293.12766012
74408664	Non-hydrogen_Atom_Count	36
65049734	Undefined_Atom_Stereo_Count	2
5497105	Mono_Isotopic_Weight	447.17015238
148184	TPSA	46.1
71451733	Undefined_Bond_Stereo_Count	0
45934213	Undefined_Bond_Stereo_Count	0
10964334	Hydrogen_Bond_Donor_Count	8
131676399	Rotatable_Bond_Count	1
312	Mono_Isotopic_Weight	34.9688527
5252031	Rotatable_Bond_Count	4
159247	Mono_Isotopic_Weight	185.0374194
146265392	Hydrogen_Bond_Donor_Count	1
12829086	Covalent_Unit_Count	1
2843	Total_Formal_Charge	0
18397995	Structure_Complexity	962
11263485	Hydrogen_Bond_Acceptor_Count	1
54686764	TPSA	182
3038517	Undefined_Bond_Stereo_Count	0
167811	Exact_Mass	407.18616006
77935	Covalent_Unit_Count	1
13422580	Mono_Isotopic_Weight	940.42049858
103563866	Undefined_Bond_Stereo_Count	0
59421472	Molecular_Weight	121.10
7096	Structure_Complexity	124
121207425	Total_Formal_Charge	0
3100	Rotatable_Bond_Count	6
5112745	Non-hydrogen_Atom_Count	17
24848367	Defined_Atom_Stereo_Count	0
439051	Undefined_Bond_Stereo_Count	0
14716	Non-hydrogen_Atom_Count	25
44341259	Molecular_Weight	409.8
146013258	Defined_Bond_Stereo_Count	0
27826	Undefined_Bond_Stereo_Count	0
80466	Defined_Atom_Stereo_Count	0
18199	Defined_Atom_Stereo_Count	0
153088	Defined_Atom_Stereo_Count	0
16760394	Rotatable_Bond_Count	23
12614	Total_Formal_Charge	0
163828065	Rotatable_Bond_Count	2
3392178	Hydrogen_Bond_Acceptor_Count	1
414	Tautomer_Count	4
1382042	Isotope_Atom_Count	0
91100506	Rotatable_Bond_Count	1
143888994	Non-hydrogen_Atom_Count	8
76564	Exact_Mass	338.17380
12200	Tautomer_Count	1
4386	Defined_Bond_Stereo_Count	0
5353923	Covalent_Unit_Count	1
12598086	Hydrogen_Bond_Donor_Count	5
69631	TPSA	70.1
20662	Hydrogen_Bond_Acceptor_Count	2
10351178	Exact_Mass	1075.72835490
71777654	Hydrogen_Bond_Donor_Count	5
121922	Isotope_Atom_Count	0
96400	XLogP3-AA	2.1
544638	Total_Formal_Charge	0
18330928	Defined_Atom_Stereo_Count	0
5156	Total_Formal_Charge	0
23368	Total_Formal_Charge	0
6450830	Total_Formal_Charge	0
3045407	Non-hydrogen_Atom_Count	42
21679899	TPSA	9.2
53947	Isotope_Atom_Count	0
13609305	Defined_Atom_Stereo_Count	0
56995913	TPSA	49.8
9895035	Mono_Isotopic_Weight	604.34471258
118797610	Structure_Complexity	151
15805370	Undefined_Bond_Stereo_Count	0
5801	Tautomer_Count	7
643203	TPSA	40.9
7003	Defined_Atom_Stereo_Count	0
11990	TPSA	52
24733	Non-hydrogen_Atom_Count	28
101401747	Exact_Mass	288.17254462
124921373	Exact_Mass	665.30474055
276224	Defined_Bond_Stereo_Count	0
29051	Non-hydrogen_Atom_Count	76
79103	Undefined_Atom_Stereo_Count	1
557816	XLogP3-AA	0.5
10721	Hydrogen_Bond_Donor_Count	0
54582823	Isotope_Atom_Count	0
16051931	Defined_Bond_Stereo_Count	0
137348324	Mono_Isotopic_Weight	361.16510826
1551136	Hydrogen_Bond_Acceptor_Count	3
134767951	Defined_Atom_Stereo_Count	3
69325	Isotope_Atom_Count	0
5281810	Mono_Isotopic_Weight	462.11621151
13348970	Isotope_Atom_Count	0
84677	Rotatable_Bond_Count	2
6918639	Rotatable_Bond_Count	9
18831	Mono_Isotopic_Weight	145.0155228
566830	Defined_Atom_Stereo_Count	0
21493122	Covalent_Unit_Count	1
88888	Hydrogen_Bond_Acceptor_Count	1
20190619	Defined_Bond_Stereo_Count	0
704205	Undefined_Atom_Stereo_Count	0
3298	XLogP3-AA	6.3
149514	Isotope_Atom_Count	0
3613546	Covalent_Unit_Count	3
12719155	Hydrogen_Bond_Acceptor_Count	2
441467	Molecular_Weight	261.27
441975	Molecular_Weight	352.4
44339155	Exact_Mass	458.22392874
289	Exact_Mass	110.036779430
26035	Mono_Isotopic_Weight	326.14528450
71170	Molecular_Weight	262.34
571	Defined_Atom_Stereo_Count	0
72094	Defined_Atom_Stereo_Count	0
12739589	Defined_Atom_Stereo_Count	0
3032279	Undefined_Bond_Stereo_Count	0
6989253	Structure_Complexity	93.1
139742	Mono_Isotopic_Weight	108.068748264
79608	Covalent_Unit_Count	1
3648	Undefined_Atom_Stereo_Count	4
24586	Molecular_Weight	154.76
4278369	Rotatable_Bond_Count	5
19324	Rotatable_Bond_Count	3
328257	Exact_Mass	97.052763847
5288499	Defined_Atom_Stereo_Count	8
13810419	Undefined_Bond_Stereo_Count	0
60195905	Molecular_Weight	396.5
439918	Molecular_Weight	175.14
6645	Undefined_Bond_Stereo_Count	0
444655	Undefined_Bond_Stereo_Count	0
485083	TPSA	15.6
116553767	Rotatable_Bond_Count	2
16129706	Defined_Bond_Stereo_Count	0
21651128	Defined_Atom_Stereo_Count	0
433956	Undefined_Atom_Stereo_Count	2
3030770	Covalent_Unit_Count	2
139121	Rotatable_Bond_Count	1
76960246	Covalent_Unit_Count	5
53626	Hydrogen_Bond_Acceptor_Count	2
915014	Defined_Bond_Stereo_Count	0
18343488	Hydrogen_Bond_Donor_Count	2
20118532	XLogP3-AA	0.7
5016	XLogP3-AA	4.3
5078	Covalent_Unit_Count	1
10866310	Hydrogen_Bond_Acceptor_Count	1
3081185	Molecular_Weight	283.34
11520819	Defined_Bond_Stereo_Count	0
2480	Molecular_Weight	306.4
7311724	Undefined_Bond_Stereo_Count	0
9904	Total_Formal_Charge	0
9919680	Exact_Mass	422.13789045
130124973	Isotope_Atom_Count	0
22525209	Exact_Mass	811.47314329
76376	Undefined_Bond_Stereo_Count	0
5897	Non-hydrogen_Atom_Count	17
45266912	XLogP3-AA	6.9
7128	Rotatable_Bond_Count	3
133084	TPSA	66.2
53904133	Hydrogen_Bond_Donor_Count	1
14342	Structure_Complexity	174
93480	Undefined_Atom_Stereo_Count	0
73949	Tautomer_Count	2
23397	Hydrogen_Bond_Donor_Count	2
6604816	Exact_Mass	1201.84136802
59082714	Undefined_Bond_Stereo_Count	0
91285707	Hydrogen_Bond_Donor_Count	0
145707274	Total_Formal_Charge	0
44419240	Hydrogen_Bond_Acceptor_Count	3
657004	Hydrogen_Bond_Acceptor_Count	5
19757680	Isotope_Atom_Count	0
141779543	Mono_Isotopic_Weight	98.073164938
41109	Defined_Bond_Stereo_Count	0
109195	Defined_Bond_Stereo_Count	0
15072854	Exact_Mass	113.084063974
5281884	Defined_Bond_Stereo_Count	1
11467403	TPSA	64.2
99271	Covalent_Unit_Count	1
9552081	Total_Formal_Charge	0
119097281	Structure_Complexity	113
66591148	Mono_Isotopic_Weight	195.94975
71310415	Non-hydrogen_Atom_Count	26
8241	Defined_Bond_Stereo_Count	0
122173791	TPSA	67.2
12544003	Non-hydrogen_Atom_Count	7
9361	Defined_Bond_Stereo_Count	0
99033	Defined_Atom_Stereo_Count	0
41872	Exact_Mass	270.115698455
50023	Defined_Atom_Stereo_Count	0
99378	Hydrogen_Bond_Donor_Count	1
234735	TPSA	20.2
11181	Structure_Complexity	79.8
45880	XLogP3-AA	2.2
11281445	Rotatable_Bond_Count	7
9911830	Undefined_Bond_Stereo_Count	0
97050130	Covalent_Unit_Count	1
129653817	Non-hydrogen_Atom_Count	9
21051392	Hydrogen_Bond_Acceptor_Count	1
655960	Isotope_Atom_Count	0
36933	Hydrogen_Bond_Donor_Count	1
21467	Undefined_Atom_Stereo_Count	1
5458167	Rotatable_Bond_Count	21
101778159	Defined_Atom_Stereo_Count	34
49756	Hydrogen_Bond_Acceptor_Count	2
29877	Covalent_Unit_Count	1
136863	Non-hydrogen_Atom_Count	7
13507	TPSA	233
56625	Undefined_Bond_Stereo_Count	0
12986478	Rotatable_Bond_Count	2
34237	Covalent_Unit_Count	7
4523766	Hydrogen_Bond_Acceptor_Count	4
84599	Defined_Atom_Stereo_Count	0
13245088	Non-hydrogen_Atom_Count	8
13329881	Exact_Mass	103.063328530
11526038	Total_Formal_Charge	0
11154711	Exact_Mass	432.08136409
16058629	Defined_Bond_Stereo_Count	0
8599	Hydrogen_Bond_Acceptor_Count	7
146159143	Undefined_Bond_Stereo_Count	1
71680844	XLogP3-AA	2.7
28327	Covalent_Unit_Count	3
17945614	Undefined_Bond_Stereo_Count	0
8924	Exact_Mass	215.236147938
578771	Isotope_Atom_Count	0
44251266	Undefined_Bond_Stereo_Count	0
2812	Mono_Isotopic_Weight	344.1080262
9012	Molecular_Weight	246.4
76830	Tautomer_Count	1
129662986	Defined_Bond_Stereo_Count	0
5702114	Rotatable_Bond_Count	5
18923110	Hydrogen_Bond_Acceptor_Count	2
145454105	Hydrogen_Bond_Acceptor_Count	8
23597592	Hydrogen_Bond_Donor_Count	1
76403	Undefined_Atom_Stereo_Count	0
44249711	Exact_Mass	114.068079557
93057	XLogP3-AA	2.8
5284554	Exact_Mass	1059.74333626
1646	Defined_Bond_Stereo_Count	0
317457	Mono_Isotopic_Weight	112.088815002
71317096	TPSA	110
42608178	Rotatable_Bond_Count	1
12333	Non-hydrogen_Atom_Count	8
838	Non-hydrogen_Atom_Count	13
56840841	Undefined_Atom_Stereo_Count	0
13618905	Undefined_Atom_Stereo_Count	2
139449	Covalent_Unit_Count	1
37918	Total_Formal_Charge	0
656685	Structure_Complexity	665
8416	Total_Formal_Charge	0
169664	Total_Formal_Charge	0
12541	Hydrogen_Bond_Acceptor_Count	5
29837	Hydrogen_Bond_Acceptor_Count	2
87280026	Hydrogen_Bond_Acceptor_Count	4
6629	Non-hydrogen_Atom_Count	11
14537426	Covalent_Unit_Count	1
166548	Molecular_Weight	1140.2
701186	Undefined_Bond_Stereo_Count	0
20055400	Defined_Bond_Stereo_Count	0
14781907	Molecular_Weight	101.15
10297818	Hydrogen_Bond_Donor_Count	3
239377	Mono_Isotopic_Weight	421.040312
191120	Defined_Bond_Stereo_Count	0
13511141	Non-hydrogen_Atom_Count	13
88447703	Covalent_Unit_Count	1
5284551	Undefined_Bond_Stereo_Count	0
6321330	Hydrogen_Bond_Acceptor_Count	6
53321036	Molecular_Weight	270.33
12313523	Hydrogen_Bond_Acceptor_Count	1
16139342	Isotope_Atom_Count	0
12000240	Structure_Complexity	934
70693142	Molecular_Weight	292.33
518964	Rotatable_Bond_Count	0
92822	Defined_Bond_Stereo_Count	0
12548640	Rotatable_Bond_Count	2
89953	Non-hydrogen_Atom_Count	12
38141	Mono_Isotopic_Weight	371.1764402
5299	Defined_Atom_Stereo_Count	0
631779	Mono_Isotopic_Weight	352.101702159
11967809	Defined_Atom_Stereo_Count	0
7010	Undefined_Bond_Stereo_Count	0
9639	Isotope_Atom_Count	0
121596244	Mono_Isotopic_Weight	460.14818035
24892842	TPSA	49.8
79422	Hydrogen_Bond_Donor_Count	0
12236733	Undefined_Atom_Stereo_Count	0
656603	Undefined_Bond_Stereo_Count	0
5389	Defined_Bond_Stereo_Count	0
18506429	Total_Formal_Charge	0
64966	Undefined_Bond_Stereo_Count	0
11094599	Non-hydrogen_Atom_Count	10
16498	Non-hydrogen_Atom_Count	11
73509	Defined_Atom_Stereo_Count	0
43678	Hydrogen_Bond_Donor_Count	4
5244	Undefined_Atom_Stereo_Count	6
5143	Hydrogen_Bond_Donor_Count	1
60196411	TPSA	137
330654	Isotope_Atom_Count	0
3025961	Molecular_Weight	193.24
4523964	Mono_Isotopic_Weight	320.21988874
121596244	Structure_Complexity	1000
135444614	Hydrogen_Bond_Acceptor_Count	5
65840	Undefined_Bond_Stereo_Count	0
5282229	Tautomer_Count	6
46214236	Structure_Complexity	1660
522	Undefined_Atom_Stereo_Count	5
16051954	TPSA	531
5281764	Tautomer_Count	136
20035332	Undefined_Atom_Stereo_Count	0
57473011	Covalent_Unit_Count	1
12002176	Total_Formal_Charge	0
3033673	Defined_Atom_Stereo_Count	0
68022407	Defined_Atom_Stereo_Count	0
26009888	Defined_Atom_Stereo_Count	0
6441082	Tautomer_Count	2
15595	Hydrogen_Bond_Acceptor_Count	1
55	Total_Formal_Charge	0
12842	Total_Formal_Charge	0
23634441	Hydrogen_Bond_Donor_Count	3
9819043	Undefined_Bond_Stereo_Count	0
20473149	Undefined_Atom_Stereo_Count	0
11713159	Molecular_Weight	507.5
125183303	Structure_Complexity	1830
1550234	Isotope_Atom_Count	0
6389	Total_Formal_Charge	0
134855974	Total_Formal_Charge	0
7566944	Defined_Bond_Stereo_Count	0
5741	Mono_Isotopic_Weight	415.1914215
151014	Covalent_Unit_Count	1
108312	Mono_Isotopic_Weight	178.135765193
5270	XLogP3	0.4
54584258	Mono_Isotopic_Weight	456.11609
7073	TPSA	43.7
439570	Covalent_Unit_Count	1
24949552	Undefined_Bond_Stereo_Count	0
142657543	XLogP3-AA	0.6
154100	Tautomer_Count	1
644235	Undefined_Bond_Stereo_Count	0
1080	Molecular_Weight	179.20
5352982	Rotatable_Bond_Count	13
5324278	Covalent_Unit_Count	1
11163584	Rotatable_Bond_Count	3
60976	Rotatable_Bond_Count	3
56587975	Molecular_Weight	367.4
7680	Isotope_Atom_Count	0
82315	Undefined_Atom_Stereo_Count	0
71459165	Molecular_Weight	292.4
643918	Undefined_Bond_Stereo_Count	0
89785	Non-hydrogen_Atom_Count	14
4167	Hydrogen_Bond_Donor_Count	0
129827902	TPSA	609
23483	Tautomer_Count	1
10942665	XLogP3-AA	1.2
3985879	Exact_Mass	99.104799419
33721	Exact_Mass	99.068413911
56614282	XLogP3-AA	0
6851740	Non-hydrogen_Atom_Count	37
68402550	Defined_Atom_Stereo_Count	0
416960	Rotatable_Bond_Count	3
3795601	Defined_Atom_Stereo_Count	0
445621	Isotope_Atom_Count	0
6746	Exact_Mass	412.370516150
135542158	Isotope_Atom_Count	0
44809	TPSA	33.2
151277525	XLogP3-AA	1.7
439763	Mono_Isotopic_Weight	483.30184471
99132	Structure_Complexity	436
6433427	Non-hydrogen_Atom_Count	19
85056	Hydrogen_Bond_Donor_Count	0
61896	Undefined_Atom_Stereo_Count	0
162652	Molecular_Weight	173.13
11147674	Undefined_Bond_Stereo_Count	0
5281525	Total_Formal_Charge	0
25076512	Defined_Bond_Stereo_Count	0
24530	Non-hydrogen_Atom_Count	3
5283316	Covalent_Unit_Count	1
97375	Mono_Isotopic_Weight	204.98450694
565843	Covalent_Unit_Count	1
5470	Exact_Mass	312.208930132
13991616	Molecular_Weight	268.22
12248569	Total_Formal_Charge	0
23649154	Defined_Bond_Stereo_Count	0
5351457	Defined_Atom_Stereo_Count	0
657	XLogP3-AA	5.3
77345	Undefined_Atom_Stereo_Count	0
25749227	TPSA	77.7
19830271	Hydrogen_Bond_Acceptor_Count	1
38018	Structure_Complexity	258
11980076	Mono_Isotopic_Weight	1241.59415488
13033202	Defined_Atom_Stereo_Count	0
9952	Isotope_Atom_Count	0
7592	Mono_Isotopic_Weight	177.078978594
5281077	Structure_Complexity	154
5081	Covalent_Unit_Count	1
816	Structure_Complexity	639
5264	Defined_Bond_Stereo_Count	0
122313	Mono_Isotopic_Weight	323.12296866
57013000	Defined_Bond_Stereo_Count	0
870718	Hydrogen_Bond_Acceptor_Count	5
156618074	Non-hydrogen_Atom_Count	23
16049448	Structure_Complexity	581
71563	Defined_Bond_Stereo_Count	0
3020	Non-hydrogen_Atom_Count	70
12285879	Hydrogen_Bond_Acceptor_Count	6
101949296	TPSA	145
24450	Total_Formal_Charge	0
22623468	Hydrogen_Bond_Donor_Count	0
86322	Molecular_Weight	167.20
21136466	Total_Formal_Charge	0
53859	Rotatable_Bond_Count	4
22947	Tautomer_Count	1
96922	Mono_Isotopic_Weight	114.02516937
10129907	Defined_Bond_Stereo_Count	0
42438	Undefined_Bond_Stereo_Count	0
208952	Mono_Isotopic_Weight	431.0960588
71343994	Structure_Complexity	90.4
57391720	TPSA	115
74888	Non-hydrogen_Atom_Count	22
12524132	Hydrogen_Bond_Donor_Count	0
9848818	Tautomer_Count	2
10341154	Undefined_Bond_Stereo_Count	0
65064	Total_Formal_Charge	0
6913588	Non-hydrogen_Atom_Count	12
15612	Defined_Bond_Stereo_Count	0
10534631	Covalent_Unit_Count	1
139593469	Undefined_Bond_Stereo_Count	0
13150	Rotatable_Bond_Count	2
24891701	Rotatable_Bond_Count	5
2241	Structure_Complexity	1430
53290	XLogP3-AA	4.1
87704774	Non-hydrogen_Atom_Count	14
56680189	Defined_Atom_Stereo_Count	0
6022	Defined_Atom_Stereo_Count	4
63991	Hydrogen_Bond_Acceptor_Count	5
700999	XLogP3	2.2
129099419	Mono_Isotopic_Weight	114.104465066
57972066	Exact_Mass	342.11621151
241903	TPSA	154
54581776	TPSA	89
12594098	Undefined_Bond_Stereo_Count	0
26068	Hydrogen_Bond_Donor_Count	1
87452564	Exact_Mass	116.047344113
528405	Structure_Complexity	74.9
6078	Undefined_Atom_Stereo_Count	0
58890	Molecular_Weight	321.8
40894	Hydrogen_Bond_Acceptor_Count	1
14849271	Undefined_Bond_Stereo_Count	0
54544621	Rotatable_Bond_Count	2
72323	Covalent_Unit_Count	1
9955977	Tautomer_Count	1
11697219	Rotatable_Bond_Count	7
21816393	Defined_Bond_Stereo_Count	0
124524515	Hydrogen_Bond_Acceptor_Count	11
6161490	Structure_Complexity	234
6437065	Covalent_Unit_Count	2
7971	Mono_Isotopic_Weight	95.037113783
78422638	Undefined_Bond_Stereo_Count	0
16665	Mono_Isotopic_Weight	128.156500638
87689	Non-hydrogen_Atom_Count	12
564864	Mono_Isotopic_Weight	236.9944134
122164129	Non-hydrogen_Atom_Count	8
4687937	Rotatable_Bond_Count	1
29084	Rotatable_Bond_Count	2
72739321	Molecular_Weight	96.13
55253668	Defined_Bond_Stereo_Count	0
11686063	Hydrogen_Bond_Donor_Count	12
5463977	Total_Formal_Charge	0
193090	Mono_Isotopic_Weight	102.031694049
1319	Exact_Mass	304.109944368
443970	Non-hydrogen_Atom_Count	17
12068306	TPSA	0
11105327	Total_Formal_Charge	0
6677	Structure_Complexity	818
6998296	Molecular_Weight	146.16
21516003	TPSA	42.5
16047027	Molecular_Weight	697.9
96201	Mono_Isotopic_Weight	254.130679813
36979	Isotope_Atom_Count	0
5282318	Hydrogen_Bond_Donor_Count	2
54288465	Defined_Atom_Stereo_Count	0
58024825	Structure_Complexity	705
23662512	Exact_Mass	375.01773788
60044069	Exact_Mass	284.16237386
108051	Tautomer_Count	6
107715	Isotope_Atom_Count	0
57238241	XLogP3-AA	2
54316592	Non-hydrogen_Atom_Count	8
120	Defined_Bond_Stereo_Count	0
13932051	Molecular_Weight	128.17
17541	Hydrogen_Bond_Donor_Count	0
71713950	Undefined_Atom_Stereo_Count	1
64709	Rotatable_Bond_Count	4
246206	Total_Formal_Charge	0
129446563	Covalent_Unit_Count	1
14503	Structure_Complexity	165
54151808	Exact_Mass	114.104465066
54428323	Covalent_Unit_Count	1
16028	Defined_Atom_Stereo_Count	0
68226	Defined_Atom_Stereo_Count	0
20265292	TPSA	40.5
135403803	Hydrogen_Bond_Donor_Count	3
80542	Undefined_Bond_Stereo_Count	0
9395	Mono_Isotopic_Weight	275.05587416
80871	Covalent_Unit_Count	1
54025313	Defined_Atom_Stereo_Count	0
2778461	Covalent_Unit_Count	1
6440938	Molecular_Weight	259.21
25022354	Structure_Complexity	558
24884488	Defined_Bond_Stereo_Count	0
117881739	Defined_Bond_Stereo_Count	0
121513955	XLogP3-AA	4.3
138891	Structure_Complexity	70.1
66219	Isotope_Atom_Count	0
71593	Mono_Isotopic_Weight	149.07014524
512984	Exact_Mass	248.00780523
5148108	Exact_Mass	628.26723285
129674188	TPSA	68.4
56925092	Undefined_Atom_Stereo_Count	0
16667736	Hydrogen_Bond_Donor_Count	2
63096	Undefined_Atom_Stereo_Count	0
9812642	Non-hydrogen_Atom_Count	101
129822789	Rotatable_Bond_Count	6
14976739	Mono_Isotopic_Weight	208.0767261
9578	Defined_Bond_Stereo_Count	0
64302	Total_Formal_Charge	0
68652936	Isotope_Atom_Count	0
67303	Non-hydrogen_Atom_Count	16
810	TPSA	389
8263	Undefined_Atom_Stereo_Count	0
12240030	Isotope_Atom_Count	0
6160	Rotatable_Bond_Count	5
578771	Hydrogen_Bond_Donor_Count	2
16134409	Hydrogen_Bond_Acceptor_Count	29
162955687	Mono_Isotopic_Weight	342.11621151
42337	Tautomer_Count	2
3015009	Hydrogen_Bond_Acceptor_Count	0
9216	Hydrogen_Bond_Acceptor_Count	2
57037620	Covalent_Unit_Count	1
3041256	Non-hydrogen_Atom_Count	23
101798	Defined_Atom_Stereo_Count	5
3351	Mono_Isotopic_Weight	388.1189848
21766417	Hydrogen_Bond_Acceptor_Count	3
446167	TPSA	91.7
57465876	Total_Formal_Charge	0
5352624	Undefined_Atom_Stereo_Count	0
134129703	Structure_Complexity	1700
52946123	Hydrogen_Bond_Donor_Count	3
57023262	Defined_Bond_Stereo_Count	0
53723270	Hydrogen_Bond_Donor_Count	0
73952292	Rotatable_Bond_Count	3
133556498	Exact_Mass	620.23163518
5280378	TPSA	55.8
71309918	Rotatable_Bond_Count	4
17827145	Undefined_Bond_Stereo_Count	0
76957744	Defined_Bond_Stereo_Count	0
57174376	Structure_Complexity	97.5
44578537	Molecular_Weight	336.4
13524524	Defined_Atom_Stereo_Count	0
5353646	Mono_Isotopic_Weight	230.0126017
303	Defined_Bond_Stereo_Count	0
9853583	Mono_Isotopic_Weight	756.35567118
69242	Tautomer_Count	1
60196378	Defined_Atom_Stereo_Count	0
75828	Hydrogen_Bond_Donor_Count	0
60956	Tautomer_Count	1
856	Non-hydrogen_Atom_Count	31
60195813	Defined_Bond_Stereo_Count	0
13373005	Mono_Isotopic_Weight	434.16647101
100030	XLogP3-AA	0.2
16197725	Defined_Bond_Stereo_Count	0
2724048	TPSA	49.4
449242	Molecular_Weight	360.26
20652538	Exact_Mass	78.0469501914
5312125	Tautomer_Count	2
194670	Structure_Complexity	198
35162	Defined_Atom_Stereo_Count	0
843960	Isotope_Atom_Count	0
75691	Hydrogen_Bond_Donor_Count	0
13922	Hydrogen_Bond_Acceptor_Count	8
129760051	Mono_Isotopic_Weight	911.624959
65577	Mono_Isotopic_Weight	386.36775324
2440	XLogP3	2.1
14866914	Hydrogen_Bond_Donor_Count	0
10003	Mono_Isotopic_Weight	128.04489933
143682218	Exact_Mass	95.073499291
23615408	Total_Formal_Charge	1
37844	Rotatable_Bond_Count	6
11369	Defined_Atom_Stereo_Count	0
54732122	Exact_Mass	324.09977361
108352	Hydrogen_Bond_Acceptor_Count	13
148350	Tautomer_Count	1
3035406	Rotatable_Bond_Count	23
32091	Isotope_Atom_Count	0
10215932	Hydrogen_Bond_Acceptor_Count	7
14840499	Defined_Bond_Stereo_Count	0
5376733	Hydrogen_Bond_Acceptor_Count	0
524894	Defined_Bond_Stereo_Count	0
86439	Defined_Bond_Stereo_Count	0
20774103	Undefined_Bond_Stereo_Count	0
2783443	Rotatable_Bond_Count	0
57341	Rotatable_Bond_Count	4
20514191	Rotatable_Bond_Count	0
4786	Undefined_Bond_Stereo_Count	0
13329881	Undefined_Atom_Stereo_Count	2
54522	Defined_Atom_Stereo_Count	0
163409779	Total_Formal_Charge	0
129225	Hydrogen_Bond_Acceptor_Count	2
70447162	Defined_Atom_Stereo_Count	0
120095	Covalent_Unit_Count	1
3996620	Defined_Atom_Stereo_Count	0
37142	Undefined_Atom_Stereo_Count	0
520348	Defined_Bond_Stereo_Count	0
13117013	Undefined_Atom_Stereo_Count	0
55287853	Total_Formal_Charge	0
45357147	Undefined_Bond_Stereo_Count	0
45357473	Undefined_Atom_Stereo_Count	3
24243	Undefined_Bond_Stereo_Count	0
154202106	Undefined_Bond_Stereo_Count	0
7594	Molecular_Weight	211.26
613365	Structure_Complexity	461
23679441	Rotatable_Bond_Count	8
21650900	Hydrogen_Bond_Donor_Count	0
22168583	Structure_Complexity	300
135744192	Molecular_Weight	116.08
71517699	Covalent_Unit_Count	1
100156	Isotope_Atom_Count	0
71584542	Defined_Bond_Stereo_Count	0
13848132	Undefined_Atom_Stereo_Count	1
227085	Covalent_Unit_Count	1
91667752	Rotatable_Bond_Count	4
106684	Mono_Isotopic_Weight	208.182715385
13316162	Undefined_Atom_Stereo_Count	0
57391096	TPSA	115
5289296	Total_Formal_Charge	0
1068	Defined_Atom_Stereo_Count	0
2943	Undefined_Atom_Stereo_Count	0
14300	Undefined_Bond_Stereo_Count	0
121749	Total_Formal_Charge	0
1491596	Rotatable_Bond_Count	2
30270	Undefined_Atom_Stereo_Count	0
156591873	Exact_Mass	657.5337115
15348	Defined_Bond_Stereo_Count	0
141336344	Isotope_Atom_Count	0
84063191	Covalent_Unit_Count	1
468	Structure_Complexity	1040
52011	Exact_Mass	415.99192
9574768	Defined_Bond_Stereo_Count	0
59116084	Covalent_Unit_Count	1
406870	XLogP3-AA	7.1
13740443	Exact_Mass	83.037113783
5335	Hydrogen_Bond_Acceptor_Count	5
45410	Exact_Mass	399.015014
9978	Hydrogen_Bond_Donor_Count	1
441290	Hydrogen_Bond_Donor_Count	1
41317	Total_Formal_Charge	0
10775424	Defined_Atom_Stereo_Count	5
104726	Covalent_Unit_Count	1
9964076	Covalent_Unit_Count	1
11622909	Total_Formal_Charge	0
10219406	Hydrogen_Bond_Donor_Count	0
134828	Undefined_Atom_Stereo_Count	0
9194	Exact_Mass	169.063997236
136041721	Molecular_Weight	301.69
10246505	Undefined_Bond_Stereo_Count	0
8820	Total_Formal_Charge	0
45933929	TPSA	207
13546	Molecular_Weight	114.14
6918840	Mono_Isotopic_Weight	966.43078848
265237	Rotatable_Bond_Count	3
23663973	Hydrogen_Bond_Donor_Count	0
616236	XLogP3-AA	2.3
19908670	Undefined_Atom_Stereo_Count	0
69578	Undefined_Bond_Stereo_Count	0
11137890	Defined_Atom_Stereo_Count	0
2762864	Isotope_Atom_Count	0
4720	Defined_Bond_Stereo_Count	0
628949	Mono_Isotopic_Weight	316.276615768
11253859	Total_Formal_Charge	0
165615710	Total_Formal_Charge	0
19138	Exact_Mass	313.06774
656980	Structure_Complexity	146
33925	Exact_Mass	320.13722174
10298	Defined_Atom_Stereo_Count	0
135458645	XLogP3-AA	4.7
70683717	XLogP3-AA	2.9
10243	Rotatable_Bond_Count	1
123406207	Undefined_Bond_Stereo_Count	0
59296041	Undefined_Atom_Stereo_Count	0
70542877	Isotope_Atom_Count	0
2745687	Hydrogen_Bond_Acceptor_Count	7
935	Molecular_Weight	58.693
610072	Undefined_Bond_Stereo_Count	0
6918474	TPSA	72.6
2319	Molecular_Weight	335.28
8301	Undefined_Bond_Stereo_Count	0
10909908	Covalent_Unit_Count	1
10470886	Mono_Isotopic_Weight	314.14912384
105146	Non-hydrogen_Atom_Count	1
90722224	Defined_Bond_Stereo_Count	0
105014	Defined_Bond_Stereo_Count	0
83616	TPSA	45.8
13327309	Structure_Complexity	72.9
652840	Undefined_Atom_Stereo_Count	0
14353870	TPSA	33.4
9170	Undefined_Bond_Stereo_Count	0
24840146	Undefined_Atom_Stereo_Count	2
15951529	Exact_Mass	464.09300959
6419725	Structure_Complexity	1200
100665	Defined_Atom_Stereo_Count	4
136195727	Covalent_Unit_Count	1
10240	Structure_Complexity	307
6049	Defined_Bond_Stereo_Count	0
8926	Molecular_Weight	241.46
440864	Mono_Isotopic_Weight	104.047344113
298	XLogP3	1.1
3842125	Molecular_Weight	282.25
127151	Mono_Isotopic_Weight	313.16779360
58	Undefined_Atom_Stereo_Count	0
56679083	Mono_Isotopic_Weight	1421.74894144
123243	Covalent_Unit_Count	1
9234	Rotatable_Bond_Count	0
92915	Isotope_Atom_Count	0
439312	Molecular_Weight	180.16
5282200	Tautomer_Count	2
80520	Defined_Atom_Stereo_Count	0
16057452	Covalent_Unit_Count	11
28639	Mono_Isotopic_Weight	114.104465066
30489	TPSA	3.2
656583	Rotatable_Bond_Count	0
73801102	Defined_Bond_Stereo_Count	0
107917	Isotope_Atom_Count	0
70695760	Undefined_Bond_Stereo_Count	0
12358497	Rotatable_Bond_Count	0
167845	Total_Formal_Charge	0
23674183	Covalent_Unit_Count	3
77191	Covalent_Unit_Count	1
817096	XLogP3-AA	1.3
105104	Covalent_Unit_Count	1
53762327	Molecular_Weight	120.11
154803918	Structure_Complexity	1220
8995	Structure_Complexity	174
101863	Covalent_Unit_Count	1
133057415	Defined_Atom_Stereo_Count	0
12242824	Non-hydrogen_Atom_Count	11
10435916	TPSA	117
21493122	Non-hydrogen_Atom_Count	7
5153297	Hydrogen_Bond_Donor_Count	2
74615	Non-hydrogen_Atom_Count	7
10044792	Hydrogen_Bond_Acceptor_Count	6
20333380	Total_Formal_Charge	0
51921893	Total_Formal_Charge	0
118704754	Non-hydrogen_Atom_Count	29
9874591	Non-hydrogen_Atom_Count	47
2837530	TPSA	29.5
7567277	Rotatable_Bond_Count	2
6437377	Defined_Atom_Stereo_Count	3
7677	Mono_Isotopic_Weight	130.110613074
54727975	Undefined_Bond_Stereo_Count	0
6640	XLogP3	1.9
39650	Non-hydrogen_Atom_Count	23
6068	Hydrogen_Bond_Acceptor_Count	2
449424	Mono_Isotopic_Weight	361.16108550
45271369	Undefined_Atom_Stereo_Count	0
86488	Structure_Complexity	321
22266611	Undefined_Atom_Stereo_Count	1
72665	Structure_Complexity	818
69851796	Defined_Bond_Stereo_Count	0
4224	Exact_Mass	330.12494298
4284720	Undefined_Atom_Stereo_Count	1
444346	Undefined_Bond_Stereo_Count	0
40320	Defined_Bond_Stereo_Count	0
413520	Molecular_Weight	242.38
7721	Undefined_Atom_Stereo_Count	0
11631565	TPSA	49.8
4926	Undefined_Bond_Stereo_Count	0
694302	Undefined_Bond_Stereo_Count	0
24848260	Undefined_Bond_Stereo_Count	0
135738851	Defined_Atom_Stereo_Count	14
95391	Defined_Bond_Stereo_Count	0
59772010	Isotope_Atom_Count	0
24397	Covalent_Unit_Count	1
5281081	Structure_Complexity	500
13463247	Mono_Isotopic_Weight	112.088815002
13223	Covalent_Unit_Count	1
47198	Hydrogen_Bond_Acceptor_Count	2
8225	Undefined_Bond_Stereo_Count	0
68703149	Covalent_Unit_Count	1
14417887	Defined_Atom_Stereo_Count	0
11200	Non-hydrogen_Atom_Count	4
28993	Tautomer_Count	1
4329947	Defined_Atom_Stereo_Count	0
51047	Undefined_Bond_Stereo_Count	0
78148	Covalent_Unit_Count	1
68414798	Defined_Bond_Stereo_Count	0
312666	Mono_Isotopic_Weight	100.063662883
124222418	Hydrogen_Bond_Acceptor_Count	11
140203	Molecular_Weight	274.44
107905	Defined_Atom_Stereo_Count	2
5289501	Defined_Atom_Stereo_Count	0
10096946	Structure_Complexity	780
290807	Hydrogen_Bond_Acceptor_Count	1
68009554	Non-hydrogen_Atom_Count	23
96600	Hydrogen_Bond_Acceptor_Count	4
3025986	Isotope_Atom_Count	0
54580795	Defined_Atom_Stereo_Count	0
193290	Defined_Atom_Stereo_Count	0
6326281	Structure_Complexity	356
16683761	TPSA	49.7
10920486	Exact_Mass	116.083729621
87106053	Isotope_Atom_Count	0
142852216	Covalent_Unit_Count	1
9641	Non-hydrogen_Atom_Count	14
5363527	Exact_Mass	226.193280068
11017510	TPSA	36.9
11279	Structure_Complexity	155
4712993	Exact_Mass	330.05282342
24901143	Undefined_Bond_Stereo_Count	0
90451	Molecular_Weight	115.13
70693263	Mono_Isotopic_Weight	501.1680007
16398	Hydrogen_Bond_Acceptor_Count	1
60196346	Undefined_Bond_Stereo_Count	0
68486699	Undefined_Bond_Stereo_Count	0
5702065	Hydrogen_Bond_Acceptor_Count	4
89951991	Hydrogen_Bond_Acceptor_Count	11
5463459	TPSA	0
705472	Non-hydrogen_Atom_Count	24
135446069	Undefined_Bond_Stereo_Count	0
91884755	Defined_Atom_Stereo_Count	5
71460924	TPSA	99.2
70678541	Rotatable_Bond_Count	17
421124	Defined_Bond_Stereo_Count	0
68741	Rotatable_Bond_Count	3
902	Molecular_Weight	160.17
91622711	Mono_Isotopic_Weight	109.052763847
72207871	Molecular_Weight	101.15
2816576	Defined_Atom_Stereo_Count	0
54315893	Isotope_Atom_Count	0
1639804	Hydrogen_Bond_Donor_Count	1
80786	Defined_Bond_Stereo_Count	0
45266503	Defined_Bond_Stereo_Count	0
60613	Hydrogen_Bond_Donor_Count	4
13639659	Rotatable_Bond_Count	0
5282403	Molecular_Weight	405.5
46207586	Defined_Atom_Stereo_Count	0
3568	Isotope_Atom_Count	0
61229	Isotope_Atom_Count	0
10704	Molecular_Weight	135.16
67711	Structure_Complexity	56.4
5987	Molecular_Weight	97.10
16957	Mono_Isotopic_Weight	405.29701
21786	Defined_Atom_Stereo_Count	0
97868	Hydrogen_Bond_Donor_Count	2
127909	Rotatable_Bond_Count	12
4454	Rotatable_Bond_Count	9
10094212	XLogP3-AA	2.3
6323336	Structure_Complexity	151
132367	Molecular_Weight	232.23
64143	XLogP3-AA	5.7
21466942	Total_Formal_Charge	0
4156734	Defined_Bond_Stereo_Count	0
9905438	Defined_Atom_Stereo_Count	0
129893980	Defined_Bond_Stereo_Count	0
53479	Hydrogen_Bond_Acceptor_Count	4
17842350	Structure_Complexity	129
23736	Defined_Bond_Stereo_Count	0
25209	Covalent_Unit_Count	1
52766	TPSA	60.2
90997437	Structure_Complexity	688
17719	Undefined_Atom_Stereo_Count	0
21553255	Non-hydrogen_Atom_Count	7
12295520	Defined_Bond_Stereo_Count	0
622606	XLogP3	4.7
969108	Hydrogen_Bond_Acceptor_Count	3
72545257	Molecular_Weight	468.2
65731	Non-hydrogen_Atom_Count	20
221145	Total_Formal_Charge	0
43095	Non-hydrogen_Atom_Count	19
236745	Undefined_Bond_Stereo_Count	0
58505	Exact_Mass	313.14601278
6327580	Undefined_Atom_Stereo_Count	0
6604796	Covalent_Unit_Count	1
7163	XLogP3-AA	6.8
8683	Covalent_Unit_Count	1
440266	Tautomer_Count	2
90227	Undefined_Bond_Stereo_Count	0
24203	Mono_Isotopic_Weight	141.94078407
20055515	Defined_Atom_Stereo_Count	18
76672	Undefined_Atom_Stereo_Count	0
43424	Total_Formal_Charge	1
14221107	Undefined_Atom_Stereo_Count	0
38768	Isotope_Atom_Count	0
134460917	Molecular_Weight	504.6
130866606	Structure_Complexity	131
44402	Undefined_Bond_Stereo_Count	0
163321054	Hydrogen_Bond_Donor_Count	8
71430868	Rotatable_Bond_Count	6
135398654	Defined_Atom_Stereo_Count	3
5282517	TPSA	221
637977	Hydrogen_Bond_Donor_Count	0
656911	Mono_Isotopic_Weight	247.17567294
147707442	Defined_Atom_Stereo_Count	10
53762327	Undefined_Bond_Stereo_Count	0
58544	Isotope_Atom_Count	0
58072202	TPSA	26.3
44571224	Hydrogen_Bond_Acceptor_Count	8
9848628	Covalent_Unit_Count	1
14521669	Hydrogen_Bond_Donor_Count	4
12271363	Rotatable_Bond_Count	1
659218	XLogP3-AA	1.6
11786594	Hydrogen_Bond_Donor_Count	2
261591	Undefined_Bond_Stereo_Count	0
720364	Structure_Complexity	560
57306415	Undefined_Atom_Stereo_Count	0
88800	Exact_Mass	224.11609238
5543	Mono_Isotopic_Weight	303.001818
23671932	Defined_Bond_Stereo_Count	0
54161810	Hydrogen_Bond_Acceptor_Count	2
54106033	TPSA	26
4354	Covalent_Unit_Count	1
57750369	Total_Formal_Charge	0
10048368	Exact_Mass	431.07575
67128499	Total_Formal_Charge	0
158525	Defined_Atom_Stereo_Count	0
34549	XLogP3-AA	5.2
127516	Exact_Mass	378.18425212
26560	Molecular_Weight	358.5
123805	Exact_Mass	898.46610084
3637	TPSA	63.8
136183442	Hydrogen_Bond_Donor_Count	4
82461	Undefined_Bond_Stereo_Count	0
57197748	Mono_Isotopic_Weight	180.06338810
118978207	Defined_Bond_Stereo_Count	0
5487972	Covalent_Unit_Count	1
33137	Rotatable_Bond_Count	2
82789	Defined_Bond_Stereo_Count	0
559	Molecular_Weight	129.16
12304109	Hydrogen_Bond_Acceptor_Count	2
164511488	Hydrogen_Bond_Donor_Count	4
16049024	Total_Formal_Charge	0
9356	Rotatable_Bond_Count	11
10240797	TPSA	32.8
70487	Isotope_Atom_Count	0
39176	Exact_Mass	114.104465066
18335911	Defined_Atom_Stereo_Count	0
25142310	TPSA	89
118511060	Total_Formal_Charge	0
68746916	Undefined_Bond_Stereo_Count	0
72704673	Defined_Atom_Stereo_Count	4
6291886	Exact_Mass	269.0407907
11053509	Rotatable_Bond_Count	1
10346870	TPSA	121
123565918	Mono_Isotopic_Weight	108.093900383
70647795	Exact_Mass	112.088815002
63963	Covalent_Unit_Count	1
88720280	Rotatable_Bond_Count	0
75059709	Isotope_Atom_Count	0
7561	TPSA	26.3
67420901	XLogP3-AA	0.4
23554324	Hydrogen_Bond_Donor_Count	2
37467	Hydrogen_Bond_Acceptor_Count	2
22986754	Molecular_Weight	112.17
1013	Undefined_Bond_Stereo_Count	0
15670683	Undefined_Bond_Stereo_Count	0
544590	Defined_Bond_Stereo_Count	0
17148	Isotope_Atom_Count	0
145900	Non-hydrogen_Atom_Count	25
70696694	Defined_Bond_Stereo_Count	1
9546757	Undefined_Atom_Stereo_Count	0
95616	Hydrogen_Bond_Acceptor_Count	4
160796	Hydrogen_Bond_Donor_Count	2
20713453	Hydrogen_Bond_Acceptor_Count	3
136647975	Structure_Complexity	170
55288256	Undefined_Bond_Stereo_Count	0
101320272	Non-hydrogen_Atom_Count	27
5975	Non-hydrogen_Atom_Count	2
77342	Covalent_Unit_Count	1
49654	Isotope_Atom_Count	0
47354	Undefined_Atom_Stereo_Count	1
1550888	Structure_Complexity	331
731207	Rotatable_Bond_Count	4
12927947	Undefined_Atom_Stereo_Count	4
5284556	XLogP3-AA	1.5
54700	TPSA	85.2
11890	Rotatable_Bond_Count	2
15951488	Mono_Isotopic_Weight	344.13855916
21651128	Hydrogen_Bond_Donor_Count	1
3797	Hydrogen_Bond_Donor_Count	0
44310303	Defined_Atom_Stereo_Count	1
36821	Structure_Complexity	268
65269	Non-hydrogen_Atom_Count	19
91945062	Hydrogen_Bond_Acceptor_Count	1
11194	Structure_Complexity	49.2
123783729	Hydrogen_Bond_Acceptor_Count	1
2307	Hydrogen_Bond_Acceptor_Count	7
6328682	Rotatable_Bond_Count	6
56662035	Defined_Bond_Stereo_Count	0
8775	Isotope_Atom_Count	0
7397	Structure_Complexity	209
130035834	Rotatable_Bond_Count	2
71783	Structure_Complexity	960
139024271	Covalent_Unit_Count	1
11829	Covalent_Unit_Count	1
3032396	Hydrogen_Bond_Donor_Count	4
139568	TPSA	0
80421	Molecular_Weight	84.12
84647732	Non-hydrogen_Atom_Count	8
79005	Tautomer_Count	1
121235738	Non-hydrogen_Atom_Count	14
23725063	Rotatable_Bond_Count	6
5003	Defined_Atom_Stereo_Count	0
49384	Undefined_Bond_Stereo_Count	0
8100	Defined_Atom_Stereo_Count	0
13924394	Mono_Isotopic_Weight	112.052429494
142383	Defined_Atom_Stereo_Count	0
2032	Hydrogen_Bond_Acceptor_Count	3
1810216	Defined_Atom_Stereo_Count	0
135421392	Defined_Bond_Stereo_Count	0
256411	Hydrogen_Bond_Donor_Count	2
91667979	XLogP3	3.3
80311	Rotatable_Bond_Count	6
54556623	Rotatable_Bond_Count	4
21482444	Structure_Complexity	55.4
57070769	Defined_Atom_Stereo_Count	8
25272039	Hydrogen_Bond_Acceptor_Count	1
21445949	Structure_Complexity	87.7
14340	Defined_Bond_Stereo_Count	0
11754394	Exact_Mass	468.18312656
22041940	Hydrogen_Bond_Donor_Count	2
6979	Exact_Mass	172.0039551
88035683	Defined_Atom_Stereo_Count	0
12673086	Defined_Atom_Stereo_Count	0
44339100	Isotope_Atom_Count	0
20503	Exact_Mass	388.22497412
89493263	Structure_Complexity	158
587311	Undefined_Bond_Stereo_Count	0
7329	Non-hydrogen_Atom_Count	17
20821286	Hydrogen_Bond_Donor_Count	0
24871329	Covalent_Unit_Count	10
21922278	Defined_Atom_Stereo_Count	0
9234	Exact_Mass	98.073164938
76207	Structure_Complexity	164
13528037	Undefined_Atom_Stereo_Count	0
44475990	Rotatable_Bond_Count	4
106228050	Total_Formal_Charge	0
57286269	Defined_Atom_Stereo_Count	0
12268624	XLogP3-AA	1.1
44310436	Covalent_Unit_Count	1
56487	TPSA	59.1
86855	XLogP3-AA	1.8
10993	TPSA	20.2
517321	Molecular_Weight	330.8
28360672	Defined_Bond_Stereo_Count	1
101301	Non-hydrogen_Atom_Count	27
543123	Undefined_Atom_Stereo_Count	0
57517	Undefined_Atom_Stereo_Count	0
5540	Rotatable_Bond_Count	13
9983292	Undefined_Atom_Stereo_Count	0
445969	Undefined_Bond_Stereo_Count	0
23476	Covalent_Unit_Count	4
62232962	Isotope_Atom_Count	0
67258795	Hydrogen_Bond_Acceptor_Count	3
22648408	Hydrogen_Bond_Acceptor_Count	3
156419	Non-hydrogen_Atom_Count	26
7364357	Isotope_Atom_Count	0
139833631	Exact_Mass	107.048347172
519726	Molecular_Weight	111.15
115817	Exact_Mass	412.0262629
121596705	Molecular_Weight	361.5
77532	Hydrogen_Bond_Donor_Count	0
53893761	Structure_Complexity	162
11979704	Non-hydrogen_Atom_Count	77
123161	Hydrogen_Bond_Acceptor_Count	0
1501888	Hydrogen_Bond_Acceptor_Count	3
5249209	Defined_Bond_Stereo_Count	0
673681	Molecular_Weight	155.18
5460094	Structure_Complexity	756
69532978	Mono_Isotopic_Weight	115.063328530
5282551	Non-hydrogen_Atom_Count	32
12589	Hydrogen_Bond_Acceptor_Count	2
5280804	Exact_Mass	464.09547607
34260	Exact_Mass	356.29265975
15069	Molecular_Weight	110.14
6419966	Defined_Atom_Stereo_Count	10
46229348	Isotope_Atom_Count	0
589314	Isotope_Atom_Count	0
264	Total_Formal_Charge	0
517957	Isotope_Atom_Count	0
20811	Hydrogen_Bond_Acceptor_Count	2
4191617	Covalent_Unit_Count	1
65109	Defined_Bond_Stereo_Count	0
82839	Rotatable_Bond_Count	0
11459006	Undefined_Atom_Stereo_Count	0
4810	Exact_Mass	241.0730377
9796440	Hydrogen_Bond_Acceptor_Count	5
52946545	Defined_Atom_Stereo_Count	1
29878	Total_Formal_Charge	0
69341007	Undefined_Atom_Stereo_Count	0
65125	Mono_Isotopic_Weight	112.03851076
56205	Structure_Complexity	672
22084396	Isotope_Atom_Count	0
18601660	Hydrogen_Bond_Donor_Count	5
11977152	Defined_Atom_Stereo_Count	0
8422	Mono_Isotopic_Weight	202.062994177
544380	Rotatable_Bond_Count	1
57397288	Exact_Mass	526.27440453
12262514	Defined_Atom_Stereo_Count	0
48870	Rotatable_Bond_Count	6
11029889	Covalent_Unit_Count	1
529277	Exact_Mass	96.093900383
58364265	Molecular_Weight	419.7
23077956	Structure_Complexity	142
51081	Rotatable_Bond_Count	3
57461922	Hydrogen_Bond_Acceptor_Count	2
27212	TPSA	46.5
1413	Non-hydrogen_Atom_Count	23
134826704	Exact_Mass	1142.51450758
118978207	TPSA	20.2
6936	Exact_Mass	220.9913420
5727	Molecular_Weight	136.3
4201	Undefined_Atom_Stereo_Count	0
5284569	TPSA	38.8
5463858	Defined_Bond_Stereo_Count	0
12758	Mono_Isotopic_Weight	201.891061
11281445	Total_Formal_Charge	0
12186	Structure_Complexity	50.3
378532	Rotatable_Bond_Count	6
18314506	Molecular_Weight	97.07
791079	Isotope_Atom_Count	0
3949	Covalent_Unit_Count	1
1198	Undefined_Atom_Stereo_Count	2
82467716	Molecular_Weight	108.14
44224066	Molecular_Weight	700.8
71391745	Covalent_Unit_Count	1
11007859	Defined_Atom_Stereo_Count	0
11972518	Mono_Isotopic_Weight	1110.57633051
53562	Structure_Complexity	343
129627867	Defined_Atom_Stereo_Count	0
10898638	Hydrogen_Bond_Acceptor_Count	1
137705645	Exact_Mass	441.1518423
90173	Total_Formal_Charge	0
88322	Exact_Mass	216.183778013
15953353	Total_Formal_Charge	0
13964915	Non-hydrogen_Atom_Count	25
12386877	Isotope_Atom_Count	0
10657742	Total_Formal_Charge	0
31218	Structure_Complexity	370
57401196	Structure_Complexity	637
34982	Hydrogen_Bond_Donor_Count	1
57441855	Total_Formal_Charge	0
100933147	Defined_Atom_Stereo_Count	20
165542295	Undefined_Atom_Stereo_Count	2
12000240	Rotatable_Bond_Count	11
524655	Mono_Isotopic_Weight	98.109550447
24182786	Tautomer_Count	2
24721009	Hydrogen_Bond_Donor_Count	2
9577585	Hydrogen_Bond_Donor_Count	1
11007849	Molecular_Weight	112.17
673473	Isotope_Atom_Count	0
72155	Exact_Mass	307.1451400
7085	Hydrogen_Bond_Acceptor_Count	3
54684598	Structure_Complexity	502
71311382	Hydrogen_Bond_Donor_Count	0
159501	Rotatable_Bond_Count	1
151172	XLogP3-AA	1.2
11662332	Undefined_Bond_Stereo_Count	0
67137411	Structure_Complexity	98.5
5903	Defined_Bond_Stereo_Count	0
629365	Total_Formal_Charge	0
10473088	Undefined_Atom_Stereo_Count	0
139074319	Undefined_Atom_Stereo_Count	0
84063996	XLogP3-AA	0.2
37524	Mono_Isotopic_Weight	156.162648646
52343	Molecular_Weight	289.25
433902	Mono_Isotopic_Weight	904.44565070
11567473	TPSA	106
22979	Mono_Isotopic_Weight	487.11279790
904857	Total_Formal_Charge	0
156460742	Rotatable_Bond_Count	3
15980798	Rotatable_Bond_Count	6
60196290	Exact_Mass	532.23332757
102692	TPSA	9.2
3462	Defined_Atom_Stereo_Count	0
3017748	Hydrogen_Bond_Acceptor_Count	4
4496	Rotatable_Bond_Count	1
53825954	Molecular_Weight	446.6
23567795	Hydrogen_Bond_Donor_Count	0
27436	Isotope_Atom_Count	0
3035442	Defined_Atom_Stereo_Count	2
72430	TPSA	84.5
697	Molecular_Weight	200.08
10189783	Undefined_Atom_Stereo_Count	0
419182	Defined_Bond_Stereo_Count	0
23480	Defined_Atom_Stereo_Count	0
573530	Tautomer_Count	9
90431674	Covalent_Unit_Count	1
9955116	Mono_Isotopic_Weight	444.20088463
54676825	Undefined_Atom_Stereo_Count	2
14282994	Hydrogen_Bond_Donor_Count	1
9147	TPSA	0
12521030	Total_Formal_Charge	0
119098876	Structure_Complexity	5070
123645524	XLogP3-AA	7.5
2453568	Molecular_Weight	184.19
21075956	Exact_Mass	166.02258592
6540262	Covalent_Unit_Count	1
13757963	Defined_Bond_Stereo_Count	0
824060	Exact_Mass	267.06194637
54292	Total_Formal_Charge	0
31264	Undefined_Bond_Stereo_Count	0
534838	Structure_Complexity	124
694647	Hydrogen_Bond_Acceptor_Count	2
65575	Hydrogen_Bond_Acceptor_Count	1
127757	Total_Formal_Charge	0
22597728	Undefined_Bond_Stereo_Count	0
11296583	Defined_Atom_Stereo_Count	7
390658	Isotope_Atom_Count	0
6326976	Non-hydrogen_Atom_Count	7
5282548	Total_Formal_Charge	0
641005	Tautomer_Count	1
145994360	Defined_Atom_Stereo_Count	5
138199	Mono_Isotopic_Weight	86.036779430
71622385	XLogP3-AA	1.3
6991	Structure_Complexity	153
142243302	Non-hydrogen_Atom_Count	7
70034662	Structure_Complexity	74
11258980	Covalent_Unit_Count	1
11154925	Covalent_Unit_Count	1
15842092	Tautomer_Count	1
129760006	Defined_Atom_Stereo_Count	0
67651264	TPSA	52.3
46204458	Total_Formal_Charge	0
4975	Isotope_Atom_Count	0
84141	Exact_Mass	285.018806
38642	Defined_Bond_Stereo_Count	0
5280637	Total_Formal_Charge	0
118689593	Structure_Complexity	1220
58173	TPSA	46.5
7787	Defined_Atom_Stereo_Count	0
984821	Tautomer_Count	3
24849168	Mono_Isotopic_Weight	316.14230712
5311180	Total_Formal_Charge	0
64988	Mono_Isotopic_Weight	288.07358991
4175	Mono_Isotopic_Weight	388.26135963
62240	XLogP3-AA	4.1
22749	XLogP3-AA	2
97255	Undefined_Bond_Stereo_Count	0
119057560	Defined_Atom_Stereo_Count	18
161830	Hydrogen_Bond_Acceptor_Count	2
158144361	Covalent_Unit_Count	1
10459649	Structure_Complexity	957
7585	XLogP3-AA	4.8
139057938	TPSA	98
9919942	Structure_Complexity	1900
3785	Undefined_Bond_Stereo_Count	0
23106685	Undefined_Atom_Stereo_Count	0
10130120	Non-hydrogen_Atom_Count	10
53245830	Rotatable_Bond_Count	17
447661	Defined_Bond_Stereo_Count	0
6296	Defined_Atom_Stereo_Count	0
23725051	Molecular_Weight	291.8
123880043	Exact_Mass	115.099714038
313215	Rotatable_Bond_Count	0
240373	Isotope_Atom_Count	0
13205839	Isotope_Atom_Count	0
79241	Rotatable_Bond_Count	5
59503407	Molecular_Weight	193.16
57825223	Mono_Isotopic_Weight	345.147726857
132917192	Covalent_Unit_Count	1
4774	Non-hydrogen_Atom_Count	21
443956	Hydrogen_Bond_Donor_Count	10
601	Hydrogen_Bond_Acceptor_Count	4
317852	Structure_Complexity	434
9270	Exact_Mass	384.23005950
572065	Structure_Complexity	161
129716995	XLogP3-AA	8.7
2838	Total_Formal_Charge	0
62529	XLogP3-AA	2.5
57257887	XLogP3	2.6
23695982	Hydrogen_Bond_Donor_Count	1
25210	Tautomer_Count	3
3081545	Rotatable_Bond_Count	6
398737	Exact_Mass	284.22122615
81102	Exact_Mass	236.14124450
12786810	Rotatable_Bond_Count	2
963726	Hydrogen_Bond_Acceptor_Count	2
74802	Covalent_Unit_Count	1
430323	Non-hydrogen_Atom_Count	21
656685	Isotope_Atom_Count	0
86435	Covalent_Unit_Count	1
5388962	Undefined_Atom_Stereo_Count	0
139585852	Hydrogen_Bond_Donor_Count	0
6444826	TPSA	101
656909	Molecular_Weight	308.44
395106	Non-hydrogen_Atom_Count	25
183811	Exact_Mass	500.1206421
97428	Covalent_Unit_Count	1
105075	Defined_Atom_Stereo_Count	0
35775	Rotatable_Bond_Count	1
19425	Covalent_Unit_Count	1
242911	Hydrogen_Bond_Donor_Count	3
90818	Hydrogen_Bond_Acceptor_Count	1
39268	Rotatable_Bond_Count	8
23663997	Rotatable_Bond_Count	3
45788574	Defined_Atom_Stereo_Count	0
9821174	XLogP3-AA	3.3
133109198	Covalent_Unit_Count	1
11558904	Structure_Complexity	465
14992	Rotatable_Bond_Count	3
18819	Isotope_Atom_Count	0
78931	Total_Formal_Charge	0
14470	Defined_Bond_Stereo_Count	0
10176082	Defined_Bond_Stereo_Count	0
159296	Molecular_Weight	427.20
10088189	Covalent_Unit_Count	1
22291085	Non-hydrogen_Atom_Count	39
27145	Hydrogen_Bond_Donor_Count	1
1643	Covalent_Unit_Count	1
603946	Hydrogen_Bond_Acceptor_Count	3
141169622	Molecular_Weight	101.10
70414	Rotatable_Bond_Count	7
126968545	TPSA	37.3
12036417	Rotatable_Bond_Count	0
4113	Covalent_Unit_Count	1
9832383	Non-hydrogen_Atom_Count	34
123156	Isotope_Atom_Count	0
13347991	Defined_Atom_Stereo_Count	0
145705715	Undefined_Bond_Stereo_Count	2
18923031	Total_Formal_Charge	0
53302141	Structure_Complexity	84.1
10631	Tautomer_Count	10
5311429	Hydrogen_Bond_Donor_Count	2
16211656	Total_Formal_Charge	0
69930345	Total_Formal_Charge	0
5077	Undefined_Atom_Stereo_Count	1
124018515	Defined_Bond_Stereo_Count	0
57286318	Hydrogen_Bond_Donor_Count	0
4034	Exact_Mass	390.1862766
6438560	Defined_Atom_Stereo_Count	0
650433	Exact_Mass	285.12012995
8902	Undefined_Atom_Stereo_Count	0
43436603	Non-hydrogen_Atom_Count	8
21460	Molecular_Weight	128.21
8084	Structure_Complexity	51.9
108074	Covalent_Unit_Count	1
54584353	Exact_Mass	428.20597001
5461	Defined_Bond_Stereo_Count	0
25106	Undefined_Bond_Stereo_Count	0
156580481	Hydrogen_Bond_Donor_Count	2
39425	Covalent_Unit_Count	1
56679112	Covalent_Unit_Count	1
8657	Defined_Atom_Stereo_Count	0
17863	Exact_Mass	232.92378
26533	Isotope_Atom_Count	0
13177208	Exact_Mass	87.068413911
10153996	TPSA	24.6
18379	Defined_Atom_Stereo_Count	0
84567	Defined_Bond_Stereo_Count	0
22150757	Total_Formal_Charge	0
129833999	Undefined_Atom_Stereo_Count	0
31497	Non-hydrogen_Atom_Count	17
21868027	Covalent_Unit_Count	1
87254	Undefined_Atom_Stereo_Count	0
57993933	Undefined_Bond_Stereo_Count	0
8593	Structure_Complexity	325
66678	Total_Formal_Charge	0
23916	Hydrogen_Bond_Donor_Count	0
16752	TPSA	114
6364620	Hydrogen_Bond_Acceptor_Count	11
78819	Undefined_Atom_Stereo_Count	0
10920483	Molecular_Weight	116.11
76380	TPSA	47.9
68180	Mono_Isotopic_Weight	150.00441
6451155	Non-hydrogen_Atom_Count	22
5326159	Undefined_Bond_Stereo_Count	0
263608	Hydrogen_Bond_Donor_Count	1
53627428	Undefined_Atom_Stereo_Count	0
124918412	Covalent_Unit_Count	1
6432418	Defined_Atom_Stereo_Count	0
44404657	Undefined_Bond_Stereo_Count	0
5104	Rotatable_Bond_Count	1
181887	Rotatable_Bond_Count	1
18542	Undefined_Atom_Stereo_Count	2
3226	Hydrogen_Bond_Acceptor_Count	6
5776	Defined_Bond_Stereo_Count	0
44444673	TPSA	97.1
52941030	Defined_Atom_Stereo_Count	1
11636816	Defined_Bond_Stereo_Count	0
439373	Mono_Isotopic_Weight	178.04773803
89374433	Structure_Complexity	118
23672064	Hydrogen_Bond_Donor_Count	2
124526411	Hydrogen_Bond_Donor_Count	8
14923	Tautomer_Count	1
22138511	Undefined_Bond_Stereo_Count	0
24196	Covalent_Unit_Count	1
4628	Mono_Isotopic_Weight	261.06372245
8150	Total_Formal_Charge	0
5709759	Undefined_Bond_Stereo_Count	0
66727	Mono_Isotopic_Weight	177.078978594
6918178	Mono_Isotopic_Weight	484.1828081
11149862	Structure_Complexity	332
13484068	Hydrogen_Bond_Acceptor_Count	2
123888456	Covalent_Unit_Count	1
12703	Covalent_Unit_Count	1
69845	Exact_Mass	151.02041835
86018330	TPSA	0
26556	Non-hydrogen_Atom_Count	12
22061818	Mono_Isotopic_Weight	112.063662883
5282054	Mono_Isotopic_Weight	223.12084340
71453749	Isotope_Atom_Count	0
129803162	Structure_Complexity	117
26156	Total_Formal_Charge	0
22392829	Structure_Complexity	108
101047267	TPSA	0
13220642	Rotatable_Bond_Count	0
66703	Total_Formal_Charge	0
96638024	Undefined_Bond_Stereo_Count	0
77266	Exact_Mass	421.0679680
54309225	Structure_Complexity	50
143339316	Mono_Isotopic_Weight	108.093900383
124072	Defined_Bond_Stereo_Count	0
65819	XLogP3-AA	1.3
15951416	Mono_Isotopic_Weight	342.14806121
44368	Hydrogen_Bond_Acceptor_Count	0
14077	TPSA	26.8
23674496	TPSA	105
53432920	Hydrogen_Bond_Acceptor_Count	0
91298647	XLogP3-AA	0.1
8270	Undefined_Bond_Stereo_Count	0
165075	Hydrogen_Bond_Acceptor_Count	7
86305	Hydrogen_Bond_Donor_Count	0
19999	Structure_Complexity	34.6
11957590	Rotatable_Bond_Count	6
84002	Exact_Mass	268.06953611
10866282	Defined_Bond_Stereo_Count	0
135297777	TPSA	39.2
135452521	Molecular_Weight	796.9
5461025	Molecular_Weight	192.21
45381907	Exact_Mass	377.11577528
23695324	Exact_Mass	305.99225140
61986	Covalent_Unit_Count	2
137448	Hydrogen_Bond_Donor_Count	0
134688323	Defined_Bond_Stereo_Count	0
12302	Hydrogen_Bond_Acceptor_Count	2
633097	XLogP3	2.5
61048	Isotope_Atom_Count	0
145912926	Defined_Atom_Stereo_Count	0
4952	Rotatable_Bond_Count	13
49289	Non-hydrogen_Atom_Count	13
18475804	Mono_Isotopic_Weight	112.052429494
98043896	Non-hydrogen_Atom_Count	30
11603089	Covalent_Unit_Count	1
85370	Structure_Complexity	166
65876	Defined_Atom_Stereo_Count	0
138733	Structure_Complexity	63.1
13065	Defined_Atom_Stereo_Count	0
11291932	Defined_Bond_Stereo_Count	0
68030	Hydrogen_Bond_Donor_Count	0
87481476	Defined_Atom_Stereo_Count	0
65663	Covalent_Unit_Count	1
19674	Total_Formal_Charge	0
71718495	Rotatable_Bond_Count	13
25137873	Undefined_Atom_Stereo_Count	2
33671	Total_Formal_Charge	0
7642	XLogP3-AA	8.5
18439449	Mono_Isotopic_Weight	115.063328530
60813	TPSA	50.1
11702	Undefined_Bond_Stereo_Count	0
4104621	Covalent_Unit_Count	1
128024	Non-hydrogen_Atom_Count	26
245729	Undefined_Atom_Stereo_Count	0
5289388	Covalent_Unit_Count	1
10430619	XLogP3	1.9
87322	XLogP3-AA	1.4
46889118	Undefined_Atom_Stereo_Count	0
809629	Defined_Bond_Stereo_Count	0
23618032	Tautomer_Count	2
13349549	Defined_Atom_Stereo_Count	0
13371699	Tautomer_Count	14
12755803	Isotope_Atom_Count	0
15122661	Rotatable_Bond_Count	1
47965	Non-hydrogen_Atom_Count	25
16051997	Defined_Bond_Stereo_Count	0
140203	Total_Formal_Charge	0
6637	Total_Formal_Charge	0
4438527	Defined_Atom_Stereo_Count	0
123681672	Mono_Isotopic_Weight	84.057514874
19431	Exact_Mass	272.99816207
10162742	TPSA	103
131057	Total_Formal_Charge	0
46274	Defined_Atom_Stereo_Count	0
153921	Hydrogen_Bond_Donor_Count	2
118216	Undefined_Atom_Stereo_Count	1
19978898	Defined_Atom_Stereo_Count	0
6282	Covalent_Unit_Count	3
27581	Defined_Bond_Stereo_Count	0
14815775	Covalent_Unit_Count	1
637794	Total_Formal_Charge	0
24646	Molecular_Weight	86.90
107969	Hydrogen_Bond_Acceptor_Count	3
3033860	Defined_Bond_Stereo_Count	1
6454351	XLogP3	1.6
6046	Undefined_Bond_Stereo_Count	0
7451	Rotatable_Bond_Count	2
556487	Defined_Bond_Stereo_Count	0
2375	Hydrogen_Bond_Acceptor_Count	9
7306	Defined_Bond_Stereo_Count	0
139076526	Undefined_Bond_Stereo_Count	0
292146	Total_Formal_Charge	0
688378	XLogP3-AA	0.3
142403683	Defined_Atom_Stereo_Count	0
12186	Undefined_Atom_Stereo_Count	1
86609	Tautomer_Count	1
44427236	Molecular_Weight	388.4
60196341	Undefined_Atom_Stereo_Count	14
45119915	Defined_Bond_Stereo_Count	0
131059	Defined_Atom_Stereo_Count	0
410615	Rotatable_Bond_Count	0
72323	Structure_Complexity	461
16131215	Hydrogen_Bond_Donor_Count	13
19937448	Structure_Complexity	170
2423	Undefined_Atom_Stereo_Count	2
8067	Tautomer_Count	1
143694905	Non-hydrogen_Atom_Count	7
71572	Isotope_Atom_Count	0
17903887	Covalent_Unit_Count	1
20055397	Undefined_Atom_Stereo_Count	0
123899588	Rotatable_Bond_Count	2
5358907	Structure_Complexity	391
416793	Undefined_Atom_Stereo_Count	0
84647732	Undefined_Atom_Stereo_Count	1
89504167	Total_Formal_Charge	0
887830	Covalent_Unit_Count	1
24434	Exact_Mass	100.95152435
91590	Covalent_Unit_Count	1
70610	Undefined_Atom_Stereo_Count	0
3525005	Molecular_Weight	116.11
131704	Hydrogen_Bond_Acceptor_Count	8
12959090	Exact_Mass	85.052763847
941102	Mono_Isotopic_Weight	332.0927701
208880	TPSA	49.8
72002	Hydrogen_Bond_Donor_Count	2
53848242	Undefined_Bond_Stereo_Count	0
56843898	Defined_Atom_Stereo_Count	0
580061	Undefined_Atom_Stereo_Count	0
12522360	XLogP3-AA	1.6
3149	Non-hydrogen_Atom_Count	24
12138	Molecular_Weight	212.29
75357	Rotatable_Bond_Count	0
179345	Non-hydrogen_Atom_Count	14
47640	Defined_Bond_Stereo_Count	0
12375	Tautomer_Count	1
5365125	XLogP3-AA	6.5
66062	Undefined_Bond_Stereo_Count	0
46783224	Hydrogen_Bond_Donor_Count	3
446	XLogP3-AA	2.2
57286	Structure_Complexity	305
3683	Structure_Complexity	602
57473238	Defined_Atom_Stereo_Count	0
71584542	Hydrogen_Bond_Donor_Count	2
122706285	Hydrogen_Bond_Donor_Count	4
277990	TPSA	37.4
42552697	Rotatable_Bond_Count	4
7109	Exact_Mass	216.00674260
13057924	Defined_Bond_Stereo_Count	0
5059	Defined_Atom_Stereo_Count	0
700	Covalent_Unit_Count	1
139062016	Structure_Complexity	235
5748217	Hydrogen_Bond_Acceptor_Count	5
142773668	Total_Formal_Charge	0
656516	Non-hydrogen_Atom_Count	32
4668904	Undefined_Bond_Stereo_Count	0
11146968	Hydrogen_Bond_Acceptor_Count	7
77676	Structure_Complexity	151
5363548	Rotatable_Bond_Count	11
9818540	Defined_Bond_Stereo_Count	0
6553	Hydrogen_Bond_Donor_Count	0
19429	TPSA	0
66903	Rotatable_Bond_Count	18
53952865	Structure_Complexity	148
17982942	TPSA	48.9
5479530	Hydrogen_Bond_Acceptor_Count	13
67126	Defined_Atom_Stereo_Count	0
17748	Total_Formal_Charge	0
77332	TPSA	9.2
72142	Hydrogen_Bond_Acceptor_Count	4
919792	Defined_Bond_Stereo_Count	0
22817455	Isotope_Atom_Count	0
4127	Non-hydrogen_Atom_Count	19
106951	Hydrogen_Bond_Donor_Count	0
23667639	Structure_Complexity	424
15287	Exact_Mass	104.083729621
55288479	Undefined_Atom_Stereo_Count	0
518234	XLogP3-AA	1.5
130145595	Mono_Isotopic_Weight	114.068079557
9022	XLogP3-AA	2.1
3732019	TPSA	29.8
26898	XLogP3-AA	3.4
3463	Defined_Bond_Stereo_Count	0
91474	Hydrogen_Bond_Donor_Count	1
111089	Defined_Bond_Stereo_Count	0
4369414	Hydrogen_Bond_Acceptor_Count	8
18974460	Undefined_Bond_Stereo_Count	0
22082539	Total_Formal_Charge	0
124220089	Exact_Mass	416.32904526
27124	Defined_Atom_Stereo_Count	0
23718384	Structure_Complexity	477
4471892	Molecular_Weight	58.08
44560808	TPSA	148
76038	Undefined_Atom_Stereo_Count	0
155353470	Hydrogen_Bond_Acceptor_Count	3
129991	Structure_Complexity	545
25191018	Molecular_Weight	436.5
11705141	XLogP3-AA	4.5
6993349	Molecular_Weight	165.28
3370	Hydrogen_Bond_Donor_Count	2
3294	Rotatable_Bond_Count	2
5284645	Defined_Bond_Stereo_Count	1
122360911	Covalent_Unit_Count	1
22406051	Undefined_Atom_Stereo_Count	2
70687387	XLogP3-AA	3.3
20521861	Hydrogen_Bond_Donor_Count	1
4435	Undefined_Atom_Stereo_Count	6
136257761	Exact_Mass	252.0275536
9830317	Exact_Mass	608.0995698
60547	Total_Formal_Charge	0
245005	Undefined_Atom_Stereo_Count	1
115305	Covalent_Unit_Count	2
9868770	Mono_Isotopic_Weight	458.19540532
2412	Non-hydrogen_Atom_Count	98
42540	Non-hydrogen_Atom_Count	20
88794	Defined_Bond_Stereo_Count	0
105709961	Hydrogen_Bond_Acceptor_Count	1
107767	Mono_Isotopic_Weight	666.44718533
88937798	Undefined_Bond_Stereo_Count	0
23378923	Undefined_Bond_Stereo_Count	0
12241264	Hydrogen_Bond_Donor_Count	3
10909617	Tautomer_Count	1
5459318	Mono_Isotopic_Weight	525.24750046
91414	Hydrogen_Bond_Acceptor_Count	0
44120020	Non-hydrogen_Atom_Count	36
1382042	TPSA	67.5
1276	Mono_Isotopic_Weight	297.06709375
437	Hydrogen_Bond_Donor_Count	1
5282349	Non-hydrogen_Atom_Count	30
517277	Rotatable_Bond_Count	0
5308	Exact_Mass	272.0716407
3052775	Defined_Bond_Stereo_Count	0
91936940	Defined_Atom_Stereo_Count	0
3763	Exact_Mass	183.9714332
21583	Defined_Atom_Stereo_Count	0
17754089	Structure_Complexity	148
288862	Non-hydrogen_Atom_Count	18
11374	Non-hydrogen_Atom_Count	11
13810	Covalent_Unit_Count	2
60982	Structure_Complexity	166
63805	Mono_Isotopic_Weight	400.1090889
25014075	Hydrogen_Bond_Acceptor_Count	1
69497	Covalent_Unit_Count	1
185588	XLogP3	3.1
118701718	TPSA	46.5
2778574	TPSA	9.2
31370	Covalent_Unit_Count	1
11494412	Defined_Atom_Stereo_Count	2
67125854	Molecular_Weight	115.13
13356397	Hydrogen_Bond_Donor_Count	0
26798	Hydrogen_Bond_Donor_Count	1
3720053	Non-hydrogen_Atom_Count	8
7465	Total_Formal_Charge	0
8197	Exact_Mass	189.19534575
689013	XLogP3	3.9
5101	Defined_Atom_Stereo_Count	0
494085	TPSA	20.2
198016	Isotope_Atom_Count	0
71459165	Covalent_Unit_Count	1
25314	Covalent_Unit_Count	2
65923	Structure_Complexity	765
3466040	Defined_Bond_Stereo_Count	0
5282192	Hydrogen_Bond_Donor_Count	4
34327	Total_Formal_Charge	0
3005587	Defined_Bond_Stereo_Count	0
1465	Isotope_Atom_Count	0
529209	Hydrogen_Bond_Acceptor_Count	1
10090192	Molecular_Weight	364.5
701741	Molecular_Weight	274.31
6604876	Defined_Atom_Stereo_Count	1
23335676	Molecular_Weight	369.3
22271690	Undefined_Bond_Stereo_Count	0
89462197	Exact_Mass	116.047344113
5994	Structure_Complexity	589
68135	Total_Formal_Charge	0
159384	Isotope_Atom_Count	0
8897	Mono_Isotopic_Weight	133.03750770
11550005	Undefined_Atom_Stereo_Count	2
21786118	XLogP3-AA	3.2
68570	Non-hydrogen_Atom_Count	20
12654349	Total_Formal_Charge	0
6575	Exact_Mass	129.914383
129681963	Hydrogen_Bond_Acceptor_Count	1
16180	Tautomer_Count	1
71580	Mono_Isotopic_Weight	247.0975211
11839	Hydrogen_Bond_Acceptor_Count	1
23591662	Total_Formal_Charge	0
25007063	Total_Formal_Charge	0
22737404	Rotatable_Bond_Count	6
5284610	Mono_Isotopic_Weight	1084.47265329
3294	Exact_Mass	241.07389321
70689446	Exact_Mass	396.19098865
5365589	Isotope_Atom_Count	0
119083525	Total_Formal_Charge	0
9909185	Molecular_Weight	402.5
23545554	Undefined_Bond_Stereo_Count	0
88239	Molecular_Weight	450.8
431097	Defined_Atom_Stereo_Count	0
46724	Rotatable_Bond_Count	4
68089	Tautomer_Count	3
46878493	Molecular_Weight	112.04
33353	TPSA	83.1
44392087	Rotatable_Bond_Count	11
97113	Hydrogen_Bond_Acceptor_Count	3
49869172	Exact_Mass	404.22122615
10967532	Total_Formal_Charge	0
72200292	Total_Formal_Charge	1
20191	Molecular_Weight	380.3
43853	Mono_Isotopic_Weight	303.97114494
10582758	Undefined_Atom_Stereo_Count	0
65420380	Rotatable_Bond_Count	2
70689387	Defined_Bond_Stereo_Count	0
2117	Defined_Atom_Stereo_Count	0
134695314	Isotope_Atom_Count	0
14362064	Defined_Atom_Stereo_Count	0
32756	Structure_Complexity	737
5362736	Isotope_Atom_Count	0
19422150	Rotatable_Bond_Count	1
8878	Undefined_Bond_Stereo_Count	0
451188	Defined_Bond_Stereo_Count	0
45051637	Exact_Mass	279.785228
15133	Exact_Mass	136.100048391
13677778	Undefined_Atom_Stereo_Count	0
801303	Molecular_Weight	258.38
637978	Covalent_Unit_Count	1
11335094	Exact_Mass	284.16237386
519239	Tautomer_Count	1
12132667	Isotope_Atom_Count	0
5352693	Undefined_Atom_Stereo_Count	0
54583964	TPSA	86.2
20387201	Exact_Mass	113.120449483
32051	Structure_Complexity	0
16842	Hydrogen_Bond_Donor_Count	0
1548943	Mono_Isotopic_Weight	305.19909372
51041322	Isotope_Atom_Count	5
641773	Molecular_Weight	104.10
9571	Defined_Bond_Stereo_Count	0
135438424	Non-hydrogen_Atom_Count	41
89264894	Defined_Bond_Stereo_Count	0
136086851	Covalent_Unit_Count	2
151170	Structure_Complexity	511
30337	XLogP3-AA	0.6
4136	Covalent_Unit_Count	1
20669981	Hydrogen_Bond_Donor_Count	0
10419	Rotatable_Bond_Count	0
19161	Molecular_Weight	326.4
890907	Hydrogen_Bond_Donor_Count	1
10649	Hydrogen_Bond_Donor_Count	2
417575	Exact_Mass	100.052429494
9794712	Undefined_Bond_Stereo_Count	0
138	TPSA	63.3
961192	Total_Formal_Charge	0
6004	Mono_Isotopic_Weight	125.99867984
1547	Total_Formal_Charge	0
10132189	Defined_Bond_Stereo_Count	0
12524131	Undefined_Atom_Stereo_Count	0
18185988	Hydrogen_Bond_Donor_Count	0
1549016	Defined_Atom_Stereo_Count	0
60560	Undefined_Bond_Stereo_Count	0
130025941	Total_Formal_Charge	0
20220682	Rotatable_Bond_Count	4
67828	Covalent_Unit_Count	1
15222234	Isotope_Atom_Count	0
16016	Defined_Bond_Stereo_Count	0
51886	Hydrogen_Bond_Acceptor_Count	4
59999517	Covalent_Unit_Count	1
54681623	Structure_Complexity	600
969212	Undefined_Bond_Stereo_Count	0
641660	Rotatable_Bond_Count	0
825921	Rotatable_Bond_Count	3
17902163	TPSA	58.7
81653	Non-hydrogen_Atom_Count	7
38666	Undefined_Atom_Stereo_Count	0
665618	Hydrogen_Bond_Acceptor_Count	6
94222	TPSA	52.3
163652705	Covalent_Unit_Count	1
37844	Hydrogen_Bond_Acceptor_Count	7
118529	Structure_Complexity	43.8
79173	Undefined_Atom_Stereo_Count	0
25982	Hydrogen_Bond_Donor_Count	1
44359653	Hydrogen_Bond_Acceptor_Count	18
73399	Total_Formal_Charge	0
26360	Isotope_Atom_Count	0
6628	Mono_Isotopic_Weight	214.04121336
60867	XLogP3-AA	2.3
75987479	Defined_Atom_Stereo_Count	0
14359580	Hydrogen_Bond_Donor_Count	0
54685047	Defined_Atom_Stereo_Count	5
56928166	Undefined_Bond_Stereo_Count	0
5315244	Defined_Bond_Stereo_Count	0
10245972	Defined_Bond_Stereo_Count	4
53408681	Rotatable_Bond_Count	1
7164	Non-hydrogen_Atom_Count	26
24952	Hydrogen_Bond_Acceptor_Count	1
26923	Rotatable_Bond_Count	3
6586	XLogP3-AA	1.2
6917779	TPSA	46.3
135409387	Hydrogen_Bond_Donor_Count	1
44144477	Undefined_Atom_Stereo_Count	0
79618	Hydrogen_Bond_Acceptor_Count	2
156595906	Exact_Mass	852.15113847
2735172	Rotatable_Bond_Count	0
57040555	Molecular_Weight	110.11
752860	Defined_Bond_Stereo_Count	0
124745611	Mono_Isotopic_Weight	342.11621151
135398733	Covalent_Unit_Count	1
3690	Mono_Isotopic_Weight	260.0248201
118689592	Mono_Isotopic_Weight	665.30474055
25070195	Hydrogen_Bond_Acceptor_Count	5
21187532	Non-hydrogen_Atom_Count	8
2740171	TPSA	41.9
66342	Mono_Isotopic_Weight	292.121177757
80283	Mono_Isotopic_Weight	103.063328530
11636795	Undefined_Bond_Stereo_Count	0
76632	Undefined_Bond_Stereo_Count	0
53262012	Rotatable_Bond_Count	3
83075	XLogP3-AA	1.6
16069302	XLogP3-AA	4.2
25200541	TPSA	153
12695795	Defined_Atom_Stereo_Count	0
61968	Hydrogen_Bond_Donor_Count	1
34409	Non-hydrogen_Atom_Count	26
170501	Rotatable_Bond_Count	0
92444	Defined_Atom_Stereo_Count	2
27182	Mono_Isotopic_Weight	269.177964357
111509	Hydrogen_Bond_Donor_Count	1
10155136	Exact_Mass	355.13321961
4806	XLogP3	1.1
123298786	Isotope_Atom_Count	0
539121	Molecular_Weight	228.33
61017	Tautomer_Count	1
16683978	Tautomer_Count	1
121586	Molecular_Weight	290.11
3169	Exact_Mass	236.152477885
54686188	Molecular_Weight	805.9
6336554	Rotatable_Bond_Count	0
82703	Tautomer_Count	1
6537431	Total_Formal_Charge	0
78138	Total_Formal_Charge	0
23277870	Defined_Atom_Stereo_Count	0
13724272	Isotope_Atom_Count	0
43163690	XLogP3-AA	1
15584178	Undefined_Bond_Stereo_Count	0
14172370	XLogP3-AA	2.5
90757303	Hydrogen_Bond_Donor_Count	1
18899	Isotope_Atom_Count	0
542352	Defined_Atom_Stereo_Count	0
60196415	Non-hydrogen_Atom_Count	14
866077	Defined_Atom_Stereo_Count	0
14985	Structure_Complexity	503
49968	Total_Formal_Charge	0
57609	Non-hydrogen_Atom_Count	28
71651624	Molecular_Weight	97.12
446157	Molecular_Weight	481.5
63622	Defined_Bond_Stereo_Count	0
272714	Undefined_Atom_Stereo_Count	0
6918313	Covalent_Unit_Count	2
3085267	Total_Formal_Charge	0
72728690	XLogP3-AA	0.1
688669	XLogP3	2.2
1250	Rotatable_Bond_Count	0
68873	Defined_Bond_Stereo_Count	0
21685	Defined_Bond_Stereo_Count	0
54224045	Undefined_Bond_Stereo_Count	0
21122483	Structure_Complexity	176
4409396	Hydrogen_Bond_Acceptor_Count	10
652876	Molecular_Weight	313.3
86929	Hydrogen_Bond_Donor_Count	0
2865	Defined_Atom_Stereo_Count	0
17027464	XLogP3-AA	2.3
72495	Structure_Complexity	976
71961	Hydrogen_Bond_Acceptor_Count	9
76704	Hydrogen_Bond_Acceptor_Count	1
139142290	Total_Formal_Charge	0
57424711	Hydrogen_Bond_Acceptor_Count	3
22611874	Structure_Complexity	141
440966	Mono_Isotopic_Weight	136.125200510
657237	Defined_Bond_Stereo_Count	0
12813	Hydrogen_Bond_Acceptor_Count	2
12346974	Molecular_Weight	110.15
86260793	Undefined_Bond_Stereo_Count	0
13095	Isotope_Atom_Count	0
249266	Undefined_Atom_Stereo_Count	0
15953353	Mono_Isotopic_Weight	446.19470727
14379227	Defined_Atom_Stereo_Count	0
52291	Total_Formal_Charge	0
95902	Mono_Isotopic_Weight	286.10659032
969097	Defined_Bond_Stereo_Count	0
3794	Hydrogen_Bond_Acceptor_Count	6
117640	Structure_Complexity	197
30160	Undefined_Atom_Stereo_Count	3
9867605	Mono_Isotopic_Weight	434.0297083
70995	Undefined_Bond_Stereo_Count	0
491941	Hydrogen_Bond_Acceptor_Count	7
94294	Hydrogen_Bond_Donor_Count	1
547	Isotope_Atom_Count	0
52766	Undefined_Atom_Stereo_Count	0
9955175	Covalent_Unit_Count	2
4686860	Defined_Atom_Stereo_Count	0
76646	Defined_Atom_Stereo_Count	0
35901875	Rotatable_Bond_Count	3
197740	Structure_Complexity	284
145278326	XLogP3-AA	1.2
10099005	Undefined_Atom_Stereo_Count	1
24561	Molecular_Weight	143.32
53484290	Hydrogen_Bond_Acceptor_Count	2
4641	Defined_Bond_Stereo_Count	0
127150	Hydrogen_Bond_Acceptor_Count	7
146682529	Undefined_Bond_Stereo_Count	0
135398698	Hydrogen_Bond_Acceptor_Count	5
136255	Hydrogen_Bond_Acceptor_Count	3
52944681	Mono_Isotopic_Weight	399.13944780
125183302	Undefined_Atom_Stereo_Count	0
5463911	Structure_Complexity	174
101171	Molecular_Weight	114.14
66587064	Structure_Complexity	746
3933	Mono_Isotopic_Weight	649.7822
12086	Defined_Bond_Stereo_Count	0
129508	Total_Formal_Charge	0
9128	XLogP3	6.4
12785	XLogP3	1.7
123803633	Undefined_Bond_Stereo_Count	0
5325710	Molecular_Weight	97.12
2370	Molecular_Weight	161.22
80865	Hydrogen_Bond_Donor_Count	0
177085	Defined_Atom_Stereo_Count	0
298082	Mono_Isotopic_Weight	112.052429494
15983966	Covalent_Unit_Count	1
6344	Hydrogen_Bond_Donor_Count	0
92043128	Exact_Mass	837.16598
1041	Undefined_Atom_Stereo_Count	4
137184495	Structure_Complexity	714
90078292	TPSA	24.6
2539	Mono_Isotopic_Weight	510.16383041
5366546	Undefined_Bond_Stereo_Count	0
3899	TPSA	55.1
91460	Undefined_Atom_Stereo_Count	0
123373137	Molecular_Weight	301.36
538757	TPSA	66.8
54688694	Structure_Complexity	1010
2341	Tautomer_Count	1
24832040	Hydrogen_Bond_Donor_Count	4
138611145	Non-hydrogen_Atom_Count	43
101656013	XLogP3-AA	4.5
72493	Structure_Complexity	1090
11263471	Covalent_Unit_Count	1
6437357	Tautomer_Count	6
146808246	Mono_Isotopic_Weight	97.089149355
6918584	Defined_Bond_Stereo_Count	0
136784	Rotatable_Bond_Count	0
1438248	Non-hydrogen_Atom_Count	25
85694	Mono_Isotopic_Weight	398.28209507
11318	Rotatable_Bond_Count	0
102601177	Undefined_Atom_Stereo_Count	1
92626	TPSA	20.2
53678373	TPSA	58.6
24756	Structure_Complexity	144
15437	Defined_Bond_Stereo_Count	0
57333099	Defined_Atom_Stereo_Count	2
26421	Structure_Complexity	116
132277953	Isotope_Atom_Count	0
6631	Non-hydrogen_Atom_Count	14
9172	Defined_Atom_Stereo_Count	0
130224411	Undefined_Bond_Stereo_Count	0
5941539	Structure_Complexity	577
15980171	TPSA	121
846942	Molecular_Weight	243.28
42350	Rotatable_Bond_Count	3
3566770	Defined_Bond_Stereo_Count	0
616651	Defined_Atom_Stereo_Count	0
45266598	Undefined_Atom_Stereo_Count	0
73847	Hydrogen_Bond_Donor_Count	0
24181476	Exact_Mass	220.89796
71357579	Exact_Mass	115.099714038
164106781	TPSA	101
739183	Mono_Isotopic_Weight	182.094294304
129628397	Undefined_Bond_Stereo_Count	0
22022770	Hydrogen_Bond_Acceptor_Count	4
131697803	Defined_Atom_Stereo_Count	6
13464501	Rotatable_Bond_Count	2
23622607	Molecular_Weight	503.6
44446248	Rotatable_Bond_Count	7
132236745	Defined_Bond_Stereo_Count	0
65894	Total_Formal_Charge	0
12993138	Total_Formal_Charge	0
558546	XLogP3-AA	0.6
3083544	Non-hydrogen_Atom_Count	25
71160	TPSA	52.6
17288	Exact_Mass	101.047678466
93077	Undefined_Atom_Stereo_Count	0
5320	Isotope_Atom_Count	0
21677760	Hydrogen_Bond_Donor_Count	2
24812731	Defined_Bond_Stereo_Count	0
18719616	Defined_Atom_Stereo_Count	0
79142	Mono_Isotopic_Weight	114.068079557
5281078	TPSA	94.5
66766582	Undefined_Bond_Stereo_Count	0
25211988	TPSA	162
1727	Undefined_Atom_Stereo_Count	0
25473	Defined_Atom_Stereo_Count	0
68205	Mono_Isotopic_Weight	334.08412354
118994155	Isotope_Atom_Count	0
2019	Undefined_Bond_Stereo_Count	0
72073	Defined_Atom_Stereo_Count	0
137185902	Defined_Bond_Stereo_Count	7
753053	Undefined_Atom_Stereo_Count	0
16686	Covalent_Unit_Count	1
3034368	Total_Formal_Charge	0
452975	Hydrogen_Bond_Acceptor_Count	22
15054176	Undefined_Atom_Stereo_Count	0
688803	Undefined_Bond_Stereo_Count	0
154044	Exact_Mass	536.27874102
5318042	Isotope_Atom_Count	0
55105	Defined_Atom_Stereo_Count	0
965784	Defined_Atom_Stereo_Count	0
21930812	Rotatable_Bond_Count	2
54322811	Exact_Mass	95.073499291
445	Molecular_Weight	241.76
448	Exact_Mass	213.0192708
59964826	Defined_Bond_Stereo_Count	0
45120389	Tautomer_Count	1
139670117	XLogP3-AA	0.9
56955281	Non-hydrogen_Atom_Count	26
11614934	Undefined_Bond_Stereo_Count	0
78837	Structure_Complexity	46.1
148123	Defined_Bond_Stereo_Count	0
12892799	TPSA	0
23423	XLogP3-AA	5.5
31767	Covalent_Unit_Count	1
127612	Isotope_Atom_Count	0
66783827	Undefined_Bond_Stereo_Count	0
91501293	TPSA	9.2
7237	Tautomer_Count	1
11442383	Structure_Complexity	640
139055434	Defined_Bond_Stereo_Count	0
6956	Hydrogen_Bond_Acceptor_Count	2
12295224	Mono_Isotopic_Weight	112.063662883
16732313	Isotope_Atom_Count	0
12993143	Exact_Mass	100.100048391
11907	TPSA	44
21057641	Hydrogen_Bond_Donor_Count	4
57560	Defined_Atom_Stereo_Count	0
21685	TPSA	20.2
44320150	Defined_Atom_Stereo_Count	6
160606	XLogP3-AA	7.2
93884	Undefined_Atom_Stereo_Count	0
54718618	Mono_Isotopic_Weight	460.07454252
78491	Rotatable_Bond_Count	5
11953153	Exact_Mass	489.14110016
535634	Non-hydrogen_Atom_Count	6
2807	TPSA	110
181511	Undefined_Bond_Stereo_Count	0
46231499	TPSA	97.4
54217822	Defined_Bond_Stereo_Count	0
15427	Covalent_Unit_Count	1
86632359	Undefined_Atom_Stereo_Count	1
18522786	Exact_Mass	109.052763847
5702541	Defined_Bond_Stereo_Count	1
3032536	Mono_Isotopic_Weight	128.870899
140796896	Total_Formal_Charge	0
70695376	Hydrogen_Bond_Acceptor_Count	6
93558	Non-hydrogen_Atom_Count	17
179336	Undefined_Atom_Stereo_Count	1
57515833	XLogP3-AA	2
13223	Mono_Isotopic_Weight	164.047344113
2723789	Tautomer_Count	3
6438877	Structure_Complexity	520
2473	Defined_Bond_Stereo_Count	0
89103941	Undefined_Atom_Stereo_Count	2
60196273	Undefined_Bond_Stereo_Count	0
2267	Covalent_Unit_Count	1
45095	Defined_Atom_Stereo_Count	0
6498	Rotatable_Bond_Count	0
19022508	Rotatable_Bond_Count	5
86354	Mono_Isotopic_Weight	333.1607901
1807	Mono_Isotopic_Weight	210.94802
84354	Exact_Mass	368.962275
9590	Undefined_Atom_Stereo_Count	0
1752	Molecular_Weight	220.35
16211656	Mono_Isotopic_Weight	235.9804853
40807	Mono_Isotopic_Weight	428.04604121
16135	Undefined_Atom_Stereo_Count	0
77048	Hydrogen_Bond_Acceptor_Count	2
64185	Non-hydrogen_Atom_Count	17
17725	Molecular_Weight	132.23
2782896	Hydrogen_Bond_Acceptor_Count	4
101879801	Total_Formal_Charge	0
10899025	Isotope_Atom_Count	0
1342	Hydrogen_Bond_Donor_Count	1
165880629	Defined_Atom_Stereo_Count	0
54311720	Isotope_Atom_Count	0
5280363	Rotatable_Bond_Count	12
497698	Covalent_Unit_Count	1
18867	Exact_Mass	224.094963011
389521	Isotope_Atom_Count	0
58996537	Defined_Atom_Stereo_Count	0
88481084	Undefined_Bond_Stereo_Count	1
27430	Hydrogen_Bond_Donor_Count	0
124541742	Molecular_Weight	378.5
96395	Total_Formal_Charge	0
60921	Undefined_Bond_Stereo_Count	0
5324776	Molecular_Weight	98.10
130779	Rotatable_Bond_Count	2
54929	Isotope_Atom_Count	0
71484	Covalent_Unit_Count	3
177700	Structure_Complexity	79.2
23684896	Total_Formal_Charge	0
941651	Covalent_Unit_Count	1
682529	Defined_Atom_Stereo_Count	0
13203	Rotatable_Bond_Count	0
6328234	Hydrogen_Bond_Donor_Count	0
2325	XLogP3-AA	3.4
16051586	Hydrogen_Bond_Donor_Count	2
12933341	Undefined_Atom_Stereo_Count	0
62630	Mono_Isotopic_Weight	622.25666817
17657	Mono_Isotopic_Weight	359.1288213
3226	XLogP3	2.1
7098641	TPSA	150
72200671	Defined_Atom_Stereo_Count	3
117752163	Covalent_Unit_Count	1
68751	Defined_Bond_Stereo_Count	0
58091261	Structure_Complexity	86.1
21952893	TPSA	1
17856440	Undefined_Atom_Stereo_Count	1
403805	Non-hydrogen_Atom_Count	43
596244	Mono_Isotopic_Weight	324.07217670
156599131	XLogP3-AA	0.7
148431	TPSA	24.4
91683	Mono_Isotopic_Weight	314.0622189
15140308	Mono_Isotopic_Weight	111.068413911
86764	Hydrogen_Bond_Donor_Count	0
6327	TPSA	0
543880	Undefined_Bond_Stereo_Count	0
216227	Isotope_Atom_Count	0
36109	TPSA	21.7
14060968	TPSA	26.3
105426935	Molecular_Weight	100.12
556305	Total_Formal_Charge	0
68071	Structure_Complexity	337
2684	XLogP3-AA	1.5
13450	Hydrogen_Bond_Acceptor_Count	6
62883	Mono_Isotopic_Weight	419.13623594
10197959	Isotope_Atom_Count	0
102481651	TPSA	9.2
60152109	Undefined_Bond_Stereo_Count	0
3516	Isotope_Atom_Count	0
22830	TPSA	63.4
81050	Rotatable_Bond_Count	0
9754	Isotope_Atom_Count	0
92786	Defined_Bond_Stereo_Count	0
14257	Hydrogen_Bond_Acceptor_Count	0
2228691	Rotatable_Bond_Count	7
643588	Defined_Bond_Stereo_Count	0
668624	Total_Formal_Charge	0
81927	Hydrogen_Bond_Acceptor_Count	4
316724	Molecular_Weight	240.30
10251	Undefined_Bond_Stereo_Count	0
129846	Mono_Isotopic_Weight	384.339216023
75657	TPSA	21.6
7857	Mono_Isotopic_Weight	57.021463719
49857672	Covalent_Unit_Count	1
7778	Structure_Complexity	158
18952325	Defined_Bond_Stereo_Count	0
4529	Exact_Mass	750.45542754
53904133	XLogP3-AA	0.2
794	TPSA	83
46204763	Total_Formal_Charge	0
9808235	Hydrogen_Bond_Acceptor_Count	1
16421	Rotatable_Bond_Count	5
152932	Undefined_Bond_Stereo_Count	0
58376271	Defined_Atom_Stereo_Count	0
60155367	Exact_Mass	385.21138974
53424628	Non-hydrogen_Atom_Count	8
75828	Defined_Bond_Stereo_Count	0
17110	Structure_Complexity	194
14379924	Rotatable_Bond_Count	1
27815	Undefined_Atom_Stereo_Count	0
7786	XLogP3-AA	6.8
141360553	Undefined_Atom_Stereo_Count	2
5354	Non-hydrogen_Atom_Count	23
163878463	Exact_Mass	109.052763847
2405	Tautomer_Count	1
24865620	Hydrogen_Bond_Acceptor_Count	5
102249560	Total_Formal_Charge	0
6210	Undefined_Bond_Stereo_Count	0
12536263	TPSA	67.2
90737888	Isotope_Atom_Count	0
21893804	Structure_Complexity	316
7861	Mono_Isotopic_Weight	58.041864811
20996	Exact_Mass	246.2114287
118008485	Mono_Isotopic_Weight	110.073164938
19879775	Non-hydrogen_Atom_Count	12
10771356	Hydrogen_Bond_Acceptor_Count	14
180288	Isotope_Atom_Count	0
75789	Undefined_Atom_Stereo_Count	0
10099005	Structure_Complexity	983
185915	Undefined_Bond_Stereo_Count	0
61059	Hydrogen_Bond_Donor_Count	2
17840535	Exact_Mass	85.089149355
129642209	Total_Formal_Charge	0
6323	Tautomer_Count	1
135564787	Tautomer_Count	28
70695759	Hydrogen_Bond_Donor_Count	3
8723	Rotatable_Bond_Count	2
18738120	Tautomer_Count	2
114743	Total_Formal_Charge	0
177168	Total_Formal_Charge	0
27212	Isotope_Atom_Count	0
557445	Non-hydrogen_Atom_Count	8
11973	TPSA	201
75252	Defined_Atom_Stereo_Count	0
55603	Defined_Bond_Stereo_Count	0
7259	Structure_Complexity	90.6
128423	Undefined_Atom_Stereo_Count	1
198707	Defined_Atom_Stereo_Count	1
18732336	Structure_Complexity	35.1
5489012	Tautomer_Count	2
62258	Rotatable_Bond_Count	2
18961909	Covalent_Unit_Count	1
409438	Rotatable_Bond_Count	2
80302	Mono_Isotopic_Weight	256.11715500
25015677	Mono_Isotopic_Weight	543.27694433
7673	TPSA	44.4
7838	Exact_Mass	114.068079557
8345	TPSA	71.1
3718378	Rotatable_Bond_Count	0
9865808	Defined_Bond_Stereo_Count	0
2040	Defined_Bond_Stereo_Count	0
6321411	Undefined_Bond_Stereo_Count	0
156618074	Undefined_Bond_Stereo_Count	0
130144234	Covalent_Unit_Count	1
68321898	Mono_Isotopic_Weight	393.20524173
22630	Hydrogen_Bond_Acceptor_Count	2
67246237	Structure_Complexity	617
59864	Rotatable_Bond_Count	4
83476	Rotatable_Bond_Count	3
23247721	Covalent_Unit_Count	1
3544	Undefined_Bond_Stereo_Count	0
71624345	XLogP3-AA	1.6
2578	Molecular_Weight	214.05
118984456	Hydrogen_Bond_Acceptor_Count	61
6915836	Hydrogen_Bond_Acceptor_Count	9
86498	Undefined_Atom_Stereo_Count	2
142482	Isotope_Atom_Count	0
74441500	Isotope_Atom_Count	0
12556661	Molecular_Weight	124.22
8026	Hydrogen_Bond_Acceptor_Count	3
66683200	Total_Formal_Charge	0
676157	Undefined_Bond_Stereo_Count	0
154561905	Hydrogen_Bond_Acceptor_Count	1
5151436	Exact_Mass	96.057514874
6997338	Defined_Bond_Stereo_Count	0
10288369	Defined_Bond_Stereo_Count	0
23681141	Undefined_Bond_Stereo_Count	0
81798	Rotatable_Bond_Count	6
40127	Tautomer_Count	3
7043897	Structure_Complexity	151
12304	Covalent_Unit_Count	1
102360081	TPSA	63.6
65910	Undefined_Atom_Stereo_Count	0
5284347	Covalent_Unit_Count	2
17541	Defined_Atom_Stereo_Count	0
9604	Exact_Mass	129.9985560
18048	Covalent_Unit_Count	1
204	Isotope_Atom_Count	0
6566	Hydrogen_Bond_Acceptor_Count	1
58028426	Exact_Mass	112.027277375
8361	TPSA	46.5
159470	Undefined_Atom_Stereo_Count	0
11081093	Tautomer_Count	1
70321834	Rotatable_Bond_Count	1
38769	Hydrogen_Bond_Acceptor_Count	2
156418	Undefined_Atom_Stereo_Count	0
39238	Isotope_Atom_Count	0
22263119	Total_Formal_Charge	0
92874	Exact_Mass	150.104465066
443040	TPSA	37.4
13033	XLogP3-AA	3.3
64184	XLogP3-AA	0.5
8114	Undefined_Atom_Stereo_Count	0
71684552	TPSA	57.5
22717351	Structure_Complexity	72.1
413520	Defined_Atom_Stereo_Count	0
5289289	Defined_Atom_Stereo_Count	1
58979809	Defined_Bond_Stereo_Count	0
23471	Covalent_Unit_Count	1
184820	Total_Formal_Charge	0
7323	Total_Formal_Charge	0
80510	Defined_Atom_Stereo_Count	0
76579279	TPSA	40.5
177085	XLogP3-AA	2.2
58265178	TPSA	110
13836896	Defined_Atom_Stereo_Count	0
454844	Defined_Bond_Stereo_Count	0
10866265	Mono_Isotopic_Weight	98.073164938
97535	Non-hydrogen_Atom_Count	32
224167	Structure_Complexity	450
66136	TPSA	69.6
24848232	Hydrogen_Bond_Acceptor_Count	2
56678999	Undefined_Bond_Stereo_Count	0
37993	Total_Formal_Charge	0
6713451	Total_Formal_Charge	0
59296109	Hydrogen_Bond_Acceptor_Count	6
86691500	TPSA	47.6
5072	Rotatable_Bond_Count	4
12437	Undefined_Atom_Stereo_Count	0
14555267	TPSA	51.2
90961655	Undefined_Atom_Stereo_Count	2
11375816	Defined_Bond_Stereo_Count	0
23674098	Undefined_Bond_Stereo_Count	0
163640634	Structure_Complexity	118
7238	Tautomer_Count	1
54069261	Defined_Atom_Stereo_Count	0
131709156	Mono_Isotopic_Weight	169.94947
54676743	Covalent_Unit_Count	1
8195	Undefined_Bond_Stereo_Count	0
79059	Isotope_Atom_Count	0
6986	Defined_Atom_Stereo_Count	0
12465459	XLogP3-AA	0.4
58801077	Hydrogen_Bond_Donor_Count	0
71600846	Defined_Atom_Stereo_Count	0
133832	Molecular_Weight	377.5
54602908	Total_Formal_Charge	0
70407330	Covalent_Unit_Count	1
6291	Hydrogen_Bond_Donor_Count	1
9857256	Non-hydrogen_Atom_Count	18
60196262	Mono_Isotopic_Weight	1266.73295702
2724552	Hydrogen_Bond_Donor_Count	5
7910	Structure_Complexity	41.4
90788020	Hydrogen_Bond_Donor_Count	2
2691	Non-hydrogen_Atom_Count	36
76973133	Non-hydrogen_Atom_Count	22
12450	Covalent_Unit_Count	1
78960	TPSA	17.3
75691	Defined_Atom_Stereo_Count	0
132274082	XLogP3-AA	7.5
74242	Structure_Complexity	175
44424639	Defined_Bond_Stereo_Count	0
5310979	Undefined_Bond_Stereo_Count	0
303	Non-hydrogen_Atom_Count	29
151248	Undefined_Bond_Stereo_Count	0
58640323	Defined_Bond_Stereo_Count	0
100489	Covalent_Unit_Count	1
123334	Isotope_Atom_Count	0
2673	Covalent_Unit_Count	1
16399	Hydrogen_Bond_Acceptor_Count	1
5374527	Hydrogen_Bond_Acceptor_Count	1
90956916	Non-hydrogen_Atom_Count	8
51086	Defined_Bond_Stereo_Count	0
5064	Mono_Isotopic_Weight	244.08076950
140659510	Rotatable_Bond_Count	1
65109	Exact_Mass	691.51520532
60196291	Undefined_Atom_Stereo_Count	0
68520833	Hydrogen_Bond_Acceptor_Count	4
45214	Exact_Mass	301.019183
81056	Exact_Mass	152.0141259
73372	Isotope_Atom_Count	0
87386545	Defined_Atom_Stereo_Count	0
20935	Structure_Complexity	50
91163310	Undefined_Bond_Stereo_Count	0
17881	Undefined_Atom_Stereo_Count	0
8007	Mono_Isotopic_Weight	73.089149355
4013	Hydrogen_Bond_Acceptor_Count	14
78457	TPSA	72.6
5154	TPSA	40.8
135413546	Mono_Isotopic_Weight	323.00179
136516	Non-hydrogen_Atom_Count	8
24849132	Undefined_Bond_Stereo_Count	0
429095	Rotatable_Bond_Count	5
6448585	Hydrogen_Bond_Acceptor_Count	5
10675	Total_Formal_Charge	0
129789506	Total_Formal_Charge	0
10476	Covalent_Unit_Count	1
3668575	Non-hydrogen_Atom_Count	21
123223	Molecular_Weight	104.15
32798	Mono_Isotopic_Weight	466.1922300
566685	Hydrogen_Bond_Donor_Count	0
9948588	Defined_Bond_Stereo_Count	0
67645	Hydrogen_Bond_Donor_Count	0
18728219	Rotatable_Bond_Count	1
12369	Structure_Complexity	35.4
80783	Molecular_Weight	360.04
6973664	Total_Formal_Charge	0
5748217	Hydrogen_Bond_Donor_Count	4
853	Covalent_Unit_Count	1
43795	Exact_Mass	355.12805404
77222	Hydrogen_Bond_Donor_Count	1
155977984	Hydrogen_Bond_Acceptor_Count	1
22267089	Molecular_Weight	69.11
92753	Hydrogen_Bond_Acceptor_Count	22
16560	TPSA	29.1
81226	Total_Formal_Charge	0
7934	XLogP3	1.4
2274	Undefined_Atom_Stereo_Count	2
4887	Mono_Isotopic_Weight	481.17500423
2895	Hydrogen_Bond_Donor_Count	0
60207207	Undefined_Bond_Stereo_Count	0
11858153	Hydrogen_Bond_Acceptor_Count	7
44329367	Total_Formal_Charge	0
11333	Mono_Isotopic_Weight	342.11621151
15982018	Isotope_Atom_Count	0
14761567	Hydrogen_Bond_Acceptor_Count	4
90996	Structure_Complexity	316
25110841	Hydrogen_Bond_Acceptor_Count	6
8179	Covalent_Unit_Count	1
53421140	Rotatable_Bond_Count	0
135451068	Defined_Bond_Stereo_Count	0
14890212	Undefined_Bond_Stereo_Count	0
54740846	Exact_Mass	480.1299435
100427	TPSA	61.4
9128	Defined_Atom_Stereo_Count	0
657014	Non-hydrogen_Atom_Count	11
73415830	Defined_Bond_Stereo_Count	0
7761	Tautomer_Count	1
2433	Structure_Complexity	1910
5282253	TPSA	124
21109	XLogP3-AA	1
22961298	Rotatable_Bond_Count	3
60196389	Hydrogen_Bond_Donor_Count	0
54368096	Molecular_Weight	100.16
15684	Molecular_Weight	177.02
53372724	Rotatable_Bond_Count	9
12337	XLogP3	3.6
639661	Molecular_Weight	84.16
14107712	Undefined_Bond_Stereo_Count	0
44392244	Defined_Bond_Stereo_Count	0
25143624	Structure_Complexity	887
32316	TPSA	41.9
193581	Defined_Bond_Stereo_Count	0
388136	Hydrogen_Bond_Donor_Count	1
2723635	Covalent_Unit_Count	2
188141	Exact_Mass	187.07570473
2721	Undefined_Atom_Stereo_Count	0
9961	Hydrogen_Bond_Donor_Count	0
94221	Molecular_Weight	152.23
542556	Structure_Complexity	308
5960	Covalent_Unit_Count	1
20725561	Undefined_Bond_Stereo_Count	0
67325	Hydrogen_Bond_Acceptor_Count	2
23131983	Molecular_Weight	113.16
29656	XLogP3-AA	1.7
87703	Undefined_Atom_Stereo_Count	0
91465	Exact_Mass	388.370516150
6609	Defined_Atom_Stereo_Count	0
89578803	Rotatable_Bond_Count	0
81391	Undefined_Bond_Stereo_Count	0
54095609	XLogP3-AA	0.9
89520	Tautomer_Count	1
15586	Tautomer_Count	1
6868	Total_Formal_Charge	0
11703345	Undefined_Bond_Stereo_Count	0
11332471	Molecular_Weight	128.09
37713	Covalent_Unit_Count	2
42599603	Mono_Isotopic_Weight	388.20115941
123761716	Structure_Complexity	80.1
44404643	Defined_Atom_Stereo_Count	0
214339	Rotatable_Bond_Count	2
156432753	Total_Formal_Charge	0
21635253	Undefined_Bond_Stereo_Count	0
30973	Defined_Bond_Stereo_Count	0
10019237	Structure_Complexity	333
2227	Defined_Atom_Stereo_Count	0
22612	Structure_Complexity	119
135594055	Undefined_Bond_Stereo_Count	0
2723721	Rotatable_Bond_Count	0
4017	Exact_Mass	1406.93370526
153448834	Hydrogen_Bond_Donor_Count	1
101616201	Non-hydrogen_Atom_Count	79
971337	Exact_Mass	337.0869564
11553369	Covalent_Unit_Count	2
21326601	Undefined_Bond_Stereo_Count	0
85301	XLogP3	1.4
82161	Rotatable_Bond_Count	13
5281650	Undefined_Atom_Stereo_Count	0
57928403	Structure_Complexity	525
12497	Molecular_Weight	150.17
138402871	Non-hydrogen_Atom_Count	58
72200226	Covalent_Unit_Count	1
22833506	Mono_Isotopic_Weight	410.1051646
125134	Molecular_Weight	589.2
17017	Structure_Complexity	238
59221	Exact_Mass	367.15108
10892	Isotope_Atom_Count	0
310360	Undefined_Bond_Stereo_Count	0
24817	TPSA	0
124631517	Defined_Bond_Stereo_Count	0
12278591	XLogP3-AA	0.7
118984411	Hydrogen_Bond_Donor_Count	1
9549168	Exact_Mass	1143.45898428
2818774	Molecular_Weight	264.71
12644714	Mono_Isotopic_Weight	112.052429494
31018	Tautomer_Count	1
694857	Total_Formal_Charge	0
131170	TPSA	83.6
65874	Hydrogen_Bond_Acceptor_Count	7
5281912	Hydrogen_Bond_Acceptor_Count	4
136307	Molecular_Weight	128.09
150841	Rotatable_Bond_Count	2
9217	Rotatable_Bond_Count	0
13973648	Exact_Mass	147.08954328
71679	Isotope_Atom_Count	0
15951420	Covalent_Unit_Count	1
6444037	Rotatable_Bond_Count	22
3335	XLogP3	3.2
81920	Rotatable_Bond_Count	8
12502857	Total_Formal_Charge	0
15980171	Undefined_Bond_Stereo_Count	0
11297617	TPSA	248
44445686	Exact_Mass	416.32904526
123668737	Hydrogen_Bond_Donor_Count	2
11908385	TPSA	190
24900685	TPSA	132
79096	Undefined_Bond_Stereo_Count	0
13861740	Non-hydrogen_Atom_Count	8
263077	TPSA	25.3
13437377	Undefined_Atom_Stereo_Count	1
6926437	Covalent_Unit_Count	1
850502	Mono_Isotopic_Weight	280.13241115
987917	TPSA	26.3
71361084	Exact_Mass	114.02294089
23092834	Defined_Atom_Stereo_Count	0
21940	Isotope_Atom_Count	0
9816483	Mono_Isotopic_Weight	254.094294304
12942137	Covalent_Unit_Count	1
4293	Defined_Atom_Stereo_Count	0
11124	Molecular_Weight	88.11
178787	Hydrogen_Bond_Acceptor_Count	6
17931405	Defined_Bond_Stereo_Count	0
3164136	Covalent_Unit_Count	1
13652343	Defined_Bond_Stereo_Count	0
69393	Total_Formal_Charge	0
154	Molecular_Weight	313.20
17178037	Hydrogen_Bond_Donor_Count	1
5081356	Hydrogen_Bond_Acceptor_Count	12
136726	Undefined_Atom_Stereo_Count	2
11573395	Mono_Isotopic_Weight	325.157897619
444764	Exact_Mass	209.03242232
91618104	Total_Formal_Charge	0
91272	Undefined_Atom_Stereo_Count	0
3033964	Non-hydrogen_Atom_Count	15
6420033	Structure_Complexity	176
136797998	Mono_Isotopic_Weight	396.0044419
4744464	XLogP3-AA	1.7
40550	Mono_Isotopic_Weight	267.05179866
84531	Non-hydrogen_Atom_Count	11
20323899	Covalent_Unit_Count	1
13194811	Non-hydrogen_Atom_Count	25
16599	Non-hydrogen_Atom_Count	33
9817917	Covalent_Unit_Count	1
5361043	XLogP3-AA	2.2
14415253	Rotatable_Bond_Count	1
968545	Defined_Atom_Stereo_Count	0
72370	XLogP3-AA	5.7
4195	TPSA	93.8
11769095	Defined_Bond_Stereo_Count	0
2823078	Isotope_Atom_Count	0
23690444	Hydrogen_Bond_Acceptor_Count	3
7869	Mono_Isotopic_Weight	112.125200510
71312086	Rotatable_Bond_Count	12
5284472	Molecular_Weight	332.9
17754178	Non-hydrogen_Atom_Count	10
10866290	Hydrogen_Bond_Donor_Count	0
39929	Mono_Isotopic_Weight	303.901626
5288631	XLogP3-AA	4.9
19606817	Defined_Bond_Stereo_Count	0
5287	Undefined_Bond_Stereo_Count	5
36673	XLogP3	4.5
139086112	TPSA	82
27282	Hydrogen_Bond_Acceptor_Count	4
11724027	Hydrogen_Bond_Acceptor_Count	4
101136808	Undefined_Bond_Stereo_Count	0
12465674	Undefined_Bond_Stereo_Count	0
4390	Undefined_Bond_Stereo_Count	1
517827	TPSA	17.1
122411051	Isotope_Atom_Count	0
2733779	Hydrogen_Bond_Acceptor_Count	8
36547	Mono_Isotopic_Weight	270.08920892
16659	Rotatable_Bond_Count	0
518996	Defined_Bond_Stereo_Count	0
2724883	Mono_Isotopic_Weight	215.094628657
13166769	Mono_Isotopic_Weight	112.088815002
445455	Undefined_Atom_Stereo_Count	0
6407	Hydrogen_Bond_Donor_Count	0
678081	Hydrogen_Bond_Acceptor_Count	4
23541	Undefined_Bond_Stereo_Count	0
107973	Rotatable_Bond_Count	5
67768	Mono_Isotopic_Weight	156.03350557
49621	Isotope_Atom_Count	0
53869954	Defined_Atom_Stereo_Count	0
57691826	Isotope_Atom_Count	0
65792	Non-hydrogen_Atom_Count	58
54582513	Total_Formal_Charge	0
13662384	Undefined_Bond_Stereo_Count	0
27967	Isotope_Atom_Count	0
63610	Covalent_Unit_Count	1
39238	Hydrogen_Bond_Donor_Count	2
178438	Undefined_Atom_Stereo_Count	0
44599207	Isotope_Atom_Count	0
11661758	Hydrogen_Bond_Donor_Count	4
45375808	Undefined_Bond_Stereo_Count	0
102198498	Structure_Complexity	1560
406563	Defined_Bond_Stereo_Count	0
162148	Total_Formal_Charge	0
53720955	Molecular_Weight	109.13
58265166	Hydrogen_Bond_Donor_Count	5
43905	Molecular_Weight	291.27
21979976	Undefined_Bond_Stereo_Count	0
247770	Mono_Isotopic_Weight	99.104799419
10077147	Total_Formal_Charge	0
126968498	Hydrogen_Bond_Acceptor_Count	16
25246317	Non-hydrogen_Atom_Count	77
72741573	Defined_Bond_Stereo_Count	0
54325323	Hydrogen_Bond_Acceptor_Count	9
147246033	TPSA	9.2
2377	XLogP3-AA	4.1
70381	Defined_Atom_Stereo_Count	0
20793238	Undefined_Atom_Stereo_Count	0
44629526	Isotope_Atom_Count	0
60196291	TPSA	606
157684	Exact_Mass	825.3868268
11017510	Molecular_Weight	610.6
601880	Mono_Isotopic_Weight	180.04225873
72823181	TPSA	160
69340949	Defined_Bond_Stereo_Count	0
1474853	Isotope_Atom_Count	0
637566	Non-hydrogen_Atom_Count	11
441199	Undefined_Bond_Stereo_Count	0
10976469	Undefined_Bond_Stereo_Count	0
9211	TPSA	9.2
2518	Rotatable_Bond_Count	2
61622	Total_Formal_Charge	0
14947257	Structure_Complexity	67.4
6441264	XLogP3-AA	9.1
6451148	Molecular_Weight	247.25
45269673	Defined_Bond_Stereo_Count	0
690958	Undefined_Atom_Stereo_Count	0
91133104	Structure_Complexity	72.2
64709	Undefined_Bond_Stereo_Count	0
44577843	Structure_Complexity	1050
91513	Undefined_Bond_Stereo_Count	0
23678591	Hydrogen_Bond_Acceptor_Count	2
5865	Tautomer_Count	27
11895	Total_Formal_Charge	0
79125	Covalent_Unit_Count	1
58992	Tautomer_Count	3
11477442	Tautomer_Count	1
75675	Undefined_Bond_Stereo_Count	0
119380	Undefined_Bond_Stereo_Count	0
54539471	Covalent_Unit_Count	1
24949247	Molecular_Weight	385.3
72199784	Non-hydrogen_Atom_Count	35
97524	Mono_Isotopic_Weight	255.05652907
20035	XLogP3	2.6
2318095	XLogP3-AA	4.3
51026956	Hydrogen_Bond_Acceptor_Count	5
10295970	Total_Formal_Charge	0
5175	Molecular_Weight	339.9
154517172	Molecular_Weight	97.16
66509087	Mono_Isotopic_Weight	477.03888450
12619120	Total_Formal_Charge	0
3375	Mono_Isotopic_Weight	410.19048031
117190022	Mono_Isotopic_Weight	113.058911855
9868452	Isotope_Atom_Count	0
53630039	Molecular_Weight	90.08
60867	Molecular_Weight	280.28
44120162	Defined_Bond_Stereo_Count	0
22390912	Undefined_Atom_Stereo_Count	0
101815861	Defined_Bond_Stereo_Count	0
71588332	TPSA	61.8
516910	Structure_Complexity	13.5
9613	Isotope_Atom_Count	0
136459	Rotatable_Bond_Count	0
5564	Mono_Isotopic_Weight	287.951163
15670683	Undefined_Atom_Stereo_Count	2
229851	Hydrogen_Bond_Acceptor_Count	5
123388382	Molecular_Weight	98.15
77763	Isotope_Atom_Count	0
21718305	Covalent_Unit_Count	1
110373	Defined_Atom_Stereo_Count	0
2735078	Non-hydrogen_Atom_Count	7
631779	Total_Formal_Charge	0
17845829	Mono_Isotopic_Weight	113.058911855
108157	Molecular_Weight	524.7
524211	Structure_Complexity	149
57173187	Mono_Isotopic_Weight	114.068079557
85446057	Non-hydrogen_Atom_Count	7
21345781	Structure_Complexity	71.6
57403815	Exact_Mass	539.22426310
19375004	Structure_Complexity	67.4
11078	TPSA	64.8
87248	Molecular_Weight	414.6
4523333	Covalent_Unit_Count	1
636371	Rotatable_Bond_Count	9
49865859	Non-hydrogen_Atom_Count	25
66663	Hydrogen_Bond_Donor_Count	0
11289	Hydrogen_Bond_Acceptor_Count	3
7355	Isotope_Atom_Count	0
11858154	TPSA	138
18745	Molecular_Weight	136.19
6212	Rotatable_Bond_Count	0
6347538	Structure_Complexity	590
43432	Defined_Bond_Stereo_Count	0
152807	Undefined_Atom_Stereo_Count	1
110785	Structure_Complexity	109
124992	Molecular_Weight	254.18
121957	TPSA	6.5
11137842	Non-hydrogen_Atom_Count	13
101989	Mono_Isotopic_Weight	274.229665576
73357703	XLogP3-AA	0.3
9869776	Isotope_Atom_Count	0
2733525	Exact_Mass	563.25191714
69430	TPSA	40.9
54408458	Defined_Bond_Stereo_Count	0
5479527	Defined_Atom_Stereo_Count	2
66760	Exact_Mass	153.0093748
24843	Isotope_Atom_Count	0
24957182	Structure_Complexity	997
13524524	Hydrogen_Bond_Donor_Count	0
13039	Defined_Atom_Stereo_Count	0
3924	Defined_Atom_Stereo_Count	0
81259	Hydrogen_Bond_Donor_Count	2
20314	Non-hydrogen_Atom_Count	8
5281609	Hydrogen_Bond_Acceptor_Count	10
9871420	XLogP3-AA	3
134826704	Hydrogen_Bond_Acceptor_Count	17
9318	TPSA	80.3
20056755	Undefined_Bond_Stereo_Count	0
20385080	Covalent_Unit_Count	1
59871564	TPSA	56
8014	Non-hydrogen_Atom_Count	5
91899080	Isotope_Atom_Count	0
14833	Covalent_Unit_Count	5
10158453	Hydrogen_Bond_Donor_Count	1
306506	Exact_Mass	253.121512110
123871431	Isotope_Atom_Count	0
9915039	TPSA	68.2
139591683	XLogP3-AA	7.3
31336	TPSA	71.1
44259	XLogP3-AA	3.2
69341756	Non-hydrogen_Atom_Count	8
88209	Non-hydrogen_Atom_Count	12
136228204	Tautomer_Count	3
5965	Isotope_Atom_Count	0
3014827	Total_Formal_Charge	0
4518	Total_Formal_Charge	0
60924	Undefined_Atom_Stereo_Count	0
14385	Mono_Isotopic_Weight	348.923089
61387	Hydrogen_Bond_Donor_Count	0
48432	Undefined_Atom_Stereo_Count	0
57882	Rotatable_Bond_Count	11
136099626	TPSA	119
22260381	Hydrogen_Bond_Donor_Count	1
142994149	Molecular_Weight	98.10
1659	Defined_Bond_Stereo_Count	0
864	Molecular_Weight	206.3
5360621	Tautomer_Count	2
398641	Total_Formal_Charge	0
7079	Molecular_Weight	269.29
112230	Undefined_Atom_Stereo_Count	0
70680969	Defined_Bond_Stereo_Count	0
87219146	Mono_Isotopic_Weight	115.063328530
667476	Mono_Isotopic_Weight	266.130679813
18048	Mono_Isotopic_Weight	178.135765193
70447162	Hydrogen_Bond_Donor_Count	0
10004622	Covalent_Unit_Count	1
19822625	Defined_Atom_Stereo_Count	0
6001	Non-hydrogen_Atom_Count	20
21185399	Structure_Complexity	72.5
3034394	Rotatable_Bond_Count	4
75087	Hydrogen_Bond_Donor_Count	0
78874	Tautomer_Count	2
139600236	Non-hydrogen_Atom_Count	7
67511	Undefined_Bond_Stereo_Count	0
102248370	Undefined_Bond_Stereo_Count	0
104386	Defined_Bond_Stereo_Count	0
5230726	Defined_Bond_Stereo_Count	0
51357124	Hydrogen_Bond_Acceptor_Count	5
4672	Isotope_Atom_Count	0
13730	Isotope_Atom_Count	0
7180	Rotatable_Bond_Count	4
44133237	Total_Formal_Charge	0
139405	XLogP3-AA	0.8
81837	Mono_Isotopic_Weight	153.078978594
18738120	XLogP3-AA	13.1
139291707	Exact_Mass	1137.4964
11957521	Exact_Mass	887.12791399
632	Covalent_Unit_Count	1
10989520	Rotatable_Bond_Count	5
2782635	TPSA	12.5
12599352	XLogP3-AA	0.5
8336	Undefined_Atom_Stereo_Count	0
15765799	Isotope_Atom_Count	0
7016	Exact_Mass	180.151415257
44570629	Hydrogen_Bond_Donor_Count	1
7947	TPSA	0
18104	TPSA	72.3
4109	Covalent_Unit_Count	1
10695961	Undefined_Atom_Stereo_Count	0
75057	Exact_Mass	354.409975663
15617	Undefined_Bond_Stereo_Count	0
135398653	Mono_Isotopic_Weight	239.10183929
21698825	Defined_Atom_Stereo_Count	0
141489386	Mono_Isotopic_Weight	112.027277375
18934502	Mono_Isotopic_Weight	84.068748264
21584701	Total_Formal_Charge	0
9955014	Total_Formal_Charge	0
445258	Structure_Complexity	60.4
131721310	Undefined_Atom_Stereo_Count	0
118946372	Isotope_Atom_Count	0
9850430	Rotatable_Bond_Count	8
23727982	Isotope_Atom_Count	0
21895922	Covalent_Unit_Count	1
87232	Hydrogen_Bond_Acceptor_Count	1
208	TPSA	157
17253	Structure_Complexity	427
10964479	Defined_Bond_Stereo_Count	0
96132	Molecular_Weight	158.20
53857340	Defined_Atom_Stereo_Count	10
11077530	Defined_Bond_Stereo_Count	0
136499	Hydrogen_Bond_Acceptor_Count	2
11378723	Hydrogen_Bond_Donor_Count	0
11815279	Isotope_Atom_Count	0
10292887	Hydrogen_Bond_Acceptor_Count	6
23665760	Molecular_Weight	74.44
124202844	Hydrogen_Bond_Donor_Count	6
91259187	Total_Formal_Charge	0
11083834	Defined_Bond_Stereo_Count	0
9400	Total_Formal_Charge	0
11554076	Isotope_Atom_Count	0
68120	Mono_Isotopic_Weight	165.99109254
71308903	XLogP3	2.1
139062655	Mono_Isotopic_Weight	534.2033832
44392105	Undefined_Atom_Stereo_Count	0
533728	Undefined_Atom_Stereo_Count	0
114829	Undefined_Atom_Stereo_Count	0
1331	Structure_Complexity	257
160583	Defined_Atom_Stereo_Count	4
626732	Mono_Isotopic_Weight	330.21949481
141281	Exact_Mass	82.041864811
34789	Tautomer_Count	1
2804	Non-hydrogen_Atom_Count	22
3964	Tautomer_Count	1
69135	Undefined_Bond_Stereo_Count	0
5238474	Non-hydrogen_Atom_Count	20
107977	Undefined_Atom_Stereo_Count	1
135612794	Covalent_Unit_Count	1
75220691	Defined_Bond_Stereo_Count	0
4720	Non-hydrogen_Atom_Count	46
44521024	Defined_Bond_Stereo_Count	0
496	Covalent_Unit_Count	1
5284614	Tautomer_Count	1
17258	Defined_Bond_Stereo_Count	0
126963478	Hydrogen_Bond_Acceptor_Count	8
54678486	Structure_Complexity	502
72266	Total_Formal_Charge	0
24848402	Exact_Mass	292.227654200
5365585	Hydrogen_Bond_Acceptor_Count	0
5311449	Defined_Atom_Stereo_Count	1
10885	Undefined_Atom_Stereo_Count	0
7311724	Exact_Mass	89.047678466
19927	Hydrogen_Bond_Acceptor_Count	1
15842091	Defined_Atom_Stereo_Count	0
6537	Isotope_Atom_Count	0
23662512	Total_Formal_Charge	0
60595	Isotope_Atom_Count	0
61420	Defined_Bond_Stereo_Count	0
53145	Non-hydrogen_Atom_Count	6
75466425	XLogP3	2.7
56283	Hydrogen_Bond_Acceptor_Count	7
61286	Covalent_Unit_Count	1
71360804	Covalent_Unit_Count	1
62327	XLogP3-AA	3.2
439248	Non-hydrogen_Atom_Count	56
20691	Mono_Isotopic_Weight	284.282763776
85867	Structure_Complexity	463
145706202	Non-hydrogen_Atom_Count	33
165363121	Hydrogen_Bond_Donor_Count	0
21617086	Undefined_Atom_Stereo_Count	1
141096113	Hydrogen_Bond_Donor_Count	0
20435656	Mono_Isotopic_Weight	111.104799419
60303	TPSA	80.7
260913	Covalent_Unit_Count	1
44462786	Undefined_Atom_Stereo_Count	0
20494989	Rotatable_Bond_Count	0
20474	Structure_Complexity	107
10417847	Hydrogen_Bond_Acceptor_Count	11
10976	Undefined_Atom_Stereo_Count	1
5319706	Structure_Complexity	314
24779724	Structure_Complexity	494
13652	Undefined_Atom_Stereo_Count	0
10330781	XLogP3	0.9
73101855	Isotope_Atom_Count	0
17104	Covalent_Unit_Count	1
129645691	Mono_Isotopic_Weight	654.17196756
72402	Hydrogen_Bond_Acceptor_Count	6
252139	Rotatable_Bond_Count	4
15817734	TPSA	34.5
6043	Non-hydrogen_Atom_Count	10
53563	Non-hydrogen_Atom_Count	19
18406186	Hydrogen_Bond_Donor_Count	3
16682828	Undefined_Atom_Stereo_Count	0
36250	Rotatable_Bond_Count	3
12337	Exact_Mass	309.87155
54076653	Undefined_Bond_Stereo_Count	0
24884361	Structure_Complexity	94.2
60420	Isotope_Atom_Count	0
2020	Molecular_Weight	385.5
53978983	Exact_Mass	114.068079557
100930731	Hydrogen_Bond_Donor_Count	0
7209	Hydrogen_Bond_Donor_Count	0
69061828	Undefined_Bond_Stereo_Count	0
44571147	Hydrogen_Bond_Acceptor_Count	8
9877357	TPSA	35.5
55285488	TPSA	51.2
40703	Non-hydrogen_Atom_Count	33
470126	Total_Formal_Charge	0
11768518	Defined_Bond_Stereo_Count	0
16217852	Mono_Isotopic_Weight	125.047678466
14667	Non-hydrogen_Atom_Count	21
89822	Defined_Atom_Stereo_Count	0
23724874	TPSA	125
44593340	Total_Formal_Charge	0
15731	Isotope_Atom_Count	0
6420096	Exact_Mass	47.037113783
71268957	Hydrogen_Bond_Acceptor_Count	6
405741	Undefined_Atom_Stereo_Count	1
66053	Undefined_Atom_Stereo_Count	0
82052	Mono_Isotopic_Weight	153.9588348
95010	Covalent_Unit_Count	1
938845	Defined_Bond_Stereo_Count	0
387	Isotope_Atom_Count	0
143588	Undefined_Bond_Stereo_Count	0
10526	XLogP3-AA	1.6
697	Defined_Bond_Stereo_Count	0
5257909	Defined_Bond_Stereo_Count	0
20033044	Defined_Bond_Stereo_Count	0
638071	Hydrogen_Bond_Donor_Count	0
93251	Undefined_Atom_Stereo_Count	0
57336812	Rotatable_Bond_Count	5
129724187	Undefined_Atom_Stereo_Count	0
15553	Exact_Mass	190.9540837
14050	Isotope_Atom_Count	0
53921772	Rotatable_Bond_Count	1
21768	Non-hydrogen_Atom_Count	11
89349947	Non-hydrogen_Atom_Count	8
802301	Defined_Atom_Stereo_Count	0
119205	Isotope_Atom_Count	0
3001322	Mono_Isotopic_Weight	577.31518610
79103	TPSA	17.1
14242109	Mono_Isotopic_Weight	114.104465066
10451635	Undefined_Atom_Stereo_Count	0
4788	Hydrogen_Bond_Donor_Count	4
63784	Non-hydrogen_Atom_Count	22
87605	Mono_Isotopic_Weight	116.120115130
58265196	Non-hydrogen_Atom_Count	12
5702114	Isotope_Atom_Count	0
1059	Isotope_Atom_Count	0
3401849	Exact_Mass	123.03539970
57448808	Hydrogen_Bond_Acceptor_Count	2
10469079	Molecular_Weight	247.38
137185902	Defined_Atom_Stereo_Count	0
92187	Hydrogen_Bond_Acceptor_Count	3
62210	Defined_Atom_Stereo_Count	0
72200409	Rotatable_Bond_Count	10
14678668	Mono_Isotopic_Weight	99.068413911
41794	Rotatable_Bond_Count	2
14505	Undefined_Bond_Stereo_Count	0
105131	Molecular_Weight	122.95
441867	Non-hydrogen_Atom_Count	38
7254	Non-hydrogen_Atom_Count	9
6249	Exact_Mass	349.10962727
156614100	Covalent_Unit_Count	3
10913	Undefined_Atom_Stereo_Count	0
129827902	Defined_Bond_Stereo_Count	0
3003141	Defined_Atom_Stereo_Count	1
10486803	Undefined_Bond_Stereo_Count	0
123969077	Defined_Bond_Stereo_Count	0
21893625	Defined_Atom_Stereo_Count	0
70935	Hydrogen_Bond_Donor_Count	2
9794485	Rotatable_Bond_Count	3
63944	XLogP3-AA	7.3
14759	Defined_Bond_Stereo_Count	0
180288	Hydrogen_Bond_Donor_Count	4
12673	Hydrogen_Bond_Donor_Count	0
44431182	Hydrogen_Bond_Acceptor_Count	10
151115	Defined_Bond_Stereo_Count	0
445555	Isotope_Atom_Count	0
5537	Defined_Bond_Stereo_Count	0
3272	Mono_Isotopic_Weight	456.25118886
7702	Rotatable_Bond_Count	3
11460221	Undefined_Bond_Stereo_Count	0
16051586	Non-hydrogen_Atom_Count	29
544604	Isotope_Atom_Count	0
9927988	Structure_Complexity	382
70430	Defined_Bond_Stereo_Count	0
647	Undefined_Atom_Stereo_Count	0
134399	Hydrogen_Bond_Donor_Count	1
44319	Hydrogen_Bond_Acceptor_Count	1
62329	Covalent_Unit_Count	1
4349627	Total_Formal_Charge	0
29	Defined_Bond_Stereo_Count	0
12938	Rotatable_Bond_Count	3
11061	Structure_Complexity	313
70233	Isotope_Atom_Count	0
5319880	Isotope_Atom_Count	0
13908	Defined_Atom_Stereo_Count	0
4866625	Exact_Mass	82.078250319
135570470	Hydrogen_Bond_Acceptor_Count	16
129627812	Undefined_Atom_Stereo_Count	8
19471	Structure_Complexity	118
284980	Total_Formal_Charge	0
14109	Hydrogen_Bond_Acceptor_Count	0
11933	Undefined_Bond_Stereo_Count	0
13632	Mono_Isotopic_Weight	141.115364102
8286	Mono_Isotopic_Weight	396.130721
135887824	Undefined_Atom_Stereo_Count	4
5667	Exact_Mass	810.42037944
90047364	TPSA	62.7
9885355	Hydrogen_Bond_Donor_Count	2
886088	XLogP3-AA	4.1
9997	Tautomer_Count	1
43331	Defined_Bond_Stereo_Count	0
135449281	Undefined_Atom_Stereo_Count	0
182677	Covalent_Unit_Count	1
535479	Isotope_Atom_Count	0
121316818	Covalent_Unit_Count	1
6473	Covalent_Unit_Count	1
16736529	TPSA	91.7
9821941	Structure_Complexity	593
12630265	Rotatable_Bond_Count	0
3017320	XLogP3-AA	2.2
20912	Defined_Bond_Stereo_Count	0
65124	TPSA	129
57756	Isotope_Atom_Count	0
44400351	Molecular_Weight	432.5
3014059	Total_Formal_Charge	0
53298813	Covalent_Unit_Count	1
15026073	Undefined_Bond_Stereo_Count	0
23663397	Molecular_Weight	541.6
25142173	TPSA	89
25199580	TPSA	76.6
100165	Undefined_Atom_Stereo_Count	2
58028426	Defined_Bond_Stereo_Count	0
6316	Isotope_Atom_Count	0
5282321	Non-hydrogen_Atom_Count	42
58777015	Hydrogen_Bond_Donor_Count	4
24763119	Non-hydrogen_Atom_Count	25
97105	Total_Formal_Charge	0
12344797	Defined_Bond_Stereo_Count	0
2130	XLogP3	2.4
13316162	Exact_Mass	116.120115130
87868	Defined_Bond_Stereo_Count	0
533662	TPSA	9.2
2353	XLogP3-AA	3.6
136502787	Defined_Atom_Stereo_Count	0
53320444	Undefined_Bond_Stereo_Count	0
141295139	Undefined_Atom_Stereo_Count	0
10387485	Molecular_Weight	422.2
584547	Exact_Mass	416.21988874
7911	Total_Formal_Charge	0
5311093	Covalent_Unit_Count	1
10887866	Defined_Atom_Stereo_Count	0
10376445	Hydrogen_Bond_Acceptor_Count	2
135400184	Hydrogen_Bond_Donor_Count	2
57227	Undefined_Atom_Stereo_Count	0
57467561	Hydrogen_Bond_Donor_Count	0
24864821	Covalent_Unit_Count	1
71362816	Structure_Complexity	361
5282768	Hydrogen_Bond_Acceptor_Count	2
21306027	Rotatable_Bond_Count	1
7048801	Rotatable_Bond_Count	3
4284720	Structure_Complexity	315
11170938	Covalent_Unit_Count	1
659024	Defined_Atom_Stereo_Count	0
65388	Undefined_Bond_Stereo_Count	0
40926	Covalent_Unit_Count	1
20727813	Defined_Bond_Stereo_Count	0
11993	Rotatable_Bond_Count	0
16323	Hydrogen_Bond_Donor_Count	0
65474	Defined_Bond_Stereo_Count	0
135391044	Rotatable_Bond_Count	9
163429552	Exact_Mass	112.052429494
188653	Rotatable_Bond_Count	4
11658860	Covalent_Unit_Count	1
19693	Hydrogen_Bond_Acceptor_Count	17
413519	Undefined_Bond_Stereo_Count	0
73169092	Defined_Atom_Stereo_Count	1
12052005	Exact_Mass	303.14705815
5352539	Undefined_Atom_Stereo_Count	0
6235	Molecular_Weight	231.25
9154	Hydrogen_Bond_Acceptor_Count	0
11389	Covalent_Unit_Count	1
16399351	Isotope_Atom_Count	0
7859	Exact_Mass	56.026214747
34553	XLogP3-AA	5.2
439255	TPSA	101
45073445	Structure_Complexity	545
6361	Exact_Mass	78.0236279
23672329	Undefined_Atom_Stereo_Count	0
5254	XLogP3-AA	4.5
11582651	Undefined_Atom_Stereo_Count	0
73977874	Defined_Bond_Stereo_Count	0
11115	Mono_Isotopic_Weight	236.152477885
12393	Total_Formal_Charge	0
163751	Tautomer_Count	1
76335	Rotatable_Bond_Count	2
4886	TPSA	30.9
13107533	Molecular_Weight	102.13
10375	Isotope_Atom_Count	0
57481131	Mono_Isotopic_Weight	106.078250319
67171867	TPSA	120
21879777	Exact_Mass	153.042593085
605877	Defined_Bond_Stereo_Count	0
5364509	Hydrogen_Bond_Donor_Count	0
8271	TPSA	66.5
91726	Total_Formal_Charge	0
6790	Mono_Isotopic_Weight	223.03031432
21130160	Structure_Complexity	88.4
5289085	Undefined_Atom_Stereo_Count	0
57286318	Defined_Atom_Stereo_Count	0
5568	Tautomer_Count	1
176907	Non-hydrogen_Atom_Count	19
10606713	Isotope_Atom_Count	0
2816105	Isotope_Atom_Count	0
39212	Exact_Mass	491.18793473
57114132	Defined_Atom_Stereo_Count	0
53323370	Non-hydrogen_Atom_Count	34
145705935	XLogP3	3.8
83403	Total_Formal_Charge	0
10098504	Non-hydrogen_Atom_Count	38
5288209	Covalent_Unit_Count	1
46195832	Tautomer_Count	308
3042	XLogP3-AA	5.5
142552	Molecular_Weight	112.21
866400	Undefined_Bond_Stereo_Count	0
146223	Non-hydrogen_Atom_Count	36
92044406	Structure_Complexity	2410
1548941	TPSA	70.8
88153938	Covalent_Unit_Count	1
57755451	TPSA	0
10103118	Tautomer_Count	1
5242388	XLogP3-AA	1.8
59761113	Isotope_Atom_Count	0
5282375	Undefined_Atom_Stereo_Count	0
18432427	Undefined_Atom_Stereo_Count	0
36832	Defined_Atom_Stereo_Count	0
84179	Mono_Isotopic_Weight	163.099714038
11863	Undefined_Bond_Stereo_Count	0
910	Hydrogen_Bond_Acceptor_Count	5
55317	Undefined_Bond_Stereo_Count	0
125286696	Hydrogen_Bond_Donor_Count	4
91543	Covalent_Unit_Count	1
73082918	XLogP3-AA	2.4
14297260	TPSA	0
10528103	Undefined_Atom_Stereo_Count	1
23328892	Non-hydrogen_Atom_Count	8
5282192	Exact_Mass	347.99570
705672	Total_Formal_Charge	0
79314	Rotatable_Bond_Count	0
18283	Hydrogen_Bond_Acceptor_Count	4
6875	Mono_Isotopic_Weight	248.152477885
58970	Total_Formal_Charge	0
44429	Tautomer_Count	2
9924495	Molecular_Weight	349.4
160817	Mono_Isotopic_Weight	238.062994177
7948	Mono_Isotopic_Weight	122.073164938
4019	Non-hydrogen_Atom_Count	27
26731	Covalent_Unit_Count	1
26106	Rotatable_Bond_Count	3
1481	Structure_Complexity	328
11083045	Exact_Mass	701.55083
13848132	Hydrogen_Bond_Acceptor_Count	3
7898	Undefined_Atom_Stereo_Count	0
22918788	Hydrogen_Bond_Acceptor_Count	2
301542	Rotatable_Bond_Count	1
34768	Undefined_Atom_Stereo_Count	0
23394	Undefined_Bond_Stereo_Count	0
14585707	Exact_Mass	114.068079557
45488112	Covalent_Unit_Count	1
595921	Non-hydrogen_Atom_Count	14
23678591	TPSA	48.1
21624254	Hydrogen_Bond_Acceptor_Count	2
8969	Hydrogen_Bond_Acceptor_Count	4
14382273	Molecular_Weight	116.16
69536	Defined_Bond_Stereo_Count	0
156618073	Undefined_Atom_Stereo_Count	0
9916489	Isotope_Atom_Count	0
130122663	Non-hydrogen_Atom_Count	8
26440	Isotope_Atom_Count	0
266052	Hydrogen_Bond_Acceptor_Count	8
52949543	Undefined_Atom_Stereo_Count	0
23090352	Total_Formal_Charge	0
6435808	Undefined_Atom_Stereo_Count	0
72200877	Isotope_Atom_Count	0
4040	Isotope_Atom_Count	0
6434253	Rotatable_Bond_Count	6
13382623	Non-hydrogen_Atom_Count	8
25058126	Hydrogen_Bond_Donor_Count	5
13853	Defined_Bond_Stereo_Count	0
35399	XLogP3-AA	1.4
114845	Total_Formal_Charge	0
68432538	TPSA	18.5
322	TPSA	57.5
130125724	Exact_Mass	114.068079557
11979316	Exact_Mass	2138.8695618
15206	TPSA	20.2
3801	Total_Formal_Charge	1
14806	Tautomer_Count	3
49865973	Isotope_Atom_Count	0
186068	Covalent_Unit_Count	1
6055792	Undefined_Bond_Stereo_Count	0
37839	Hydrogen_Bond_Donor_Count	0
26865	Structure_Complexity	98.6
44758	Undefined_Atom_Stereo_Count	0
119093923	Total_Formal_Charge	0
11479128	Undefined_Atom_Stereo_Count	0
53904133	Defined_Atom_Stereo_Count	0
71449805	TPSA	58.7
68030	Defined_Atom_Stereo_Count	0
201828	Exact_Mass	213.115364102
13855	Hydrogen_Bond_Donor_Count	0
60910	TPSA	80.3
54687772	Rotatable_Bond_Count	8
23958	Exact_Mass	158.92535
16212959	Defined_Atom_Stereo_Count	4
68186	Non-hydrogen_Atom_Count	28
167266	Defined_Bond_Stereo_Count	0
9563	Undefined_Atom_Stereo_Count	5
3146673	Defined_Atom_Stereo_Count	0
443115	TPSA	184
3017434	Structure_Complexity	72.9
22002061	Hydrogen_Bond_Acceptor_Count	2
20561708	TPSA	47.8
12302673	Mono_Isotopic_Weight	342.11621151
15664038	Undefined_Atom_Stereo_Count	0
21917771	Rotatable_Bond_Count	0
68783	Defined_Atom_Stereo_Count	6
5284614	Mono_Isotopic_Weight	311.1440774
10820489	Undefined_Bond_Stereo_Count	0
6433951	Undefined_Atom_Stereo_Count	0
5311104	Defined_Bond_Stereo_Count	0
17779280	TPSA	51.2
167029	Defined_Atom_Stereo_Count	0
6211	Non-hydrogen_Atom_Count	9
137321858	TPSA	152
9929785	Undefined_Atom_Stereo_Count	0
71782	Rotatable_Bond_Count	5
6929	Structure_Complexity	223
2733525	Isotope_Atom_Count	0
1028	Hydrogen_Bond_Acceptor_Count	6
14294229	Undefined_Atom_Stereo_Count	0
5738	Structure_Complexity	766
24351	Isotope_Atom_Count	0
15565709	Hydrogen_Bond_Donor_Count	2
36037	Hydrogen_Bond_Donor_Count	2
127030	Isotope_Atom_Count	0
158434	Undefined_Bond_Stereo_Count	0
220639	Mono_Isotopic_Weight	117.078978594
1981	Exact_Mass	415.0822650
135407110	Mono_Isotopic_Weight	268.08076950
145521	Tautomer_Count	1
4199	Molecular_Weight	298.4
439958	Total_Formal_Charge	0
6489	Exact_Mass	278.02660
445678	TPSA	38.4
104806	Covalent_Unit_Count	1
121232443	Undefined_Atom_Stereo_Count	0
70687386	XLogP3-AA	3.4
25171648	Hydrogen_Bond_Donor_Count	0
56972665	Hydrogen_Bond_Donor_Count	0
4284331	Covalent_Unit_Count	1
52997	Undefined_Bond_Stereo_Count	0
9870652	Defined_Atom_Stereo_Count	0
801132	Non-hydrogen_Atom_Count	25
57586319	Defined_Atom_Stereo_Count	0
5208	Total_Formal_Charge	0
15197399	TPSA	40.4
93093	Molecular_Weight	88.11
99730	Isotope_Atom_Count	0
9810709	Undefined_Bond_Stereo_Count	0
15291	Rotatable_Bond_Count	3
98210	Structure_Complexity	46.8
160355	Non-hydrogen_Atom_Count	26
10219163	Undefined_Bond_Stereo_Count	0
694466	Undefined_Bond_Stereo_Count	0
114750	Defined_Atom_Stereo_Count	3
8292	Mono_Isotopic_Weight	308.03058836
54686183	Mono_Isotopic_Weight	1024.3123164
16832	Exact_Mass	158.130679813
362828	Isotope_Atom_Count	0
6326947	Undefined_Bond_Stereo_Count	0
10027822	Isotope_Atom_Count	0
3718	Defined_Bond_Stereo_Count	0
85570	Mono_Isotopic_Weight	171.01159025
4884	XLogP3-AA	1
56037	Hydrogen_Bond_Acceptor_Count	4
71584165	Total_Formal_Charge	0
725544	Isotope_Atom_Count	0
135414248	Defined_Atom_Stereo_Count	0
21615038	TPSA	43.1
65836	Mono_Isotopic_Weight	323.0592175
53249784	Exact_Mass	205.11142153
66645351	Mono_Isotopic_Weight	448.08280338
93115	Exact_Mass	783.51863693
452498	TPSA	143
24771	Covalent_Unit_Count	1
33498	Undefined_Bond_Stereo_Count	0
3315	Hydrogen_Bond_Donor_Count	8
11957609	TPSA	139
18999022	Undefined_Atom_Stereo_Count	2
54011	Molecular_Weight	498.7
213043	Mono_Isotopic_Weight	354.16919058
147630	Tautomer_Count	1
80972	Hydrogen_Bond_Donor_Count	0
79693	Defined_Bond_Stereo_Count	0
6035	Structure_Complexity	386
84106834	TPSA	12
17572160	XLogP3-AA	19.4
71624580	XLogP3-AA	1.7
72034	Tautomer_Count	81
89767	TPSA	129
95456	Hydrogen_Bond_Acceptor_Count	2
517326	Covalent_Unit_Count	2
101815861	Exact_Mass	273.870525
12326432	Covalent_Unit_Count	1
67564795	Rotatable_Bond_Count	1
54572793	Isotope_Atom_Count	0
2662	Isotope_Atom_Count	0
6997	Isotope_Atom_Count	0
11583423	Hydrogen_Bond_Acceptor_Count	8
44565779	Molecular_Weight	302.37
703	Non-hydrogen_Atom_Count	53
58221870	Undefined_Bond_Stereo_Count	0
95343	Isotope_Atom_Count	0
44119603	Hydrogen_Bond_Acceptor_Count	3
8361	Isotope_Atom_Count	0
10103148	Hydrogen_Bond_Acceptor_Count	2
387316	TPSA	132
53237326	Undefined_Bond_Stereo_Count	0
163321054	Exact_Mass	1325.35377640
11332471	Non-hydrogen_Atom_Count	8
522007	XLogP3-AA	1.8
9176	Exact_Mass	278.109550447
15624	Total_Formal_Charge	0
66219	Defined_Bond_Stereo_Count	0
13247016	Undefined_Atom_Stereo_Count	1
66660558	TPSA	18.5
25588	Non-hydrogen_Atom_Count	15
5281771	Total_Formal_Charge	0
1346	Defined_Atom_Stereo_Count	0
67030919	Isotope_Atom_Count	0
46839993	Covalent_Unit_Count	1
23666711	TPSA	242
22833321	Non-hydrogen_Atom_Count	19
53316474	Undefined_Atom_Stereo_Count	0
98613	Tautomer_Count	2
67614074	TPSA	44.2
722292	Total_Formal_Charge	0
3614551	Exact_Mass	99.068413911
12622120	Mono_Isotopic_Weight	218.05790880
6424	Molecular_Weight	310.81
795	Exact_Mass	68.037448136
14601425	Undefined_Bond_Stereo_Count	0
53346589	Isotope_Atom_Count	0
64232	Molecular_Weight	276.4
261166	Exact_Mass	458.19406791
56658564	Total_Formal_Charge	0
3636	Isotope_Atom_Count	0
56037	Rotatable_Bond_Count	10
24978536	Isotope_Atom_Count	0
66532	Covalent_Unit_Count	1
14923878	Covalent_Unit_Count	1
11013485	Structure_Complexity	502
71309028	Undefined_Bond_Stereo_Count	0
10510843	Exact_Mass	117.078978594
4121	XLogP3	1.4
13297	Undefined_Atom_Stereo_Count	0
9739	Non-hydrogen_Atom_Count	9
11569158	Mono_Isotopic_Weight	477.1567673
62705861	Undefined_Atom_Stereo_Count	0
228490	Molecular_Weight	375.5
9810873	Exact_Mass	775.42686180
148680795	Mono_Isotopic_Weight	112.088815002
54584775	Hydrogen_Bond_Donor_Count	1
63085159	Molecular_Weight	113.16
23010495	Mono_Isotopic_Weight	284.16237386
36663	Isotope_Atom_Count	0
10945	Defined_Atom_Stereo_Count	0
129858712	Hydrogen_Bond_Acceptor_Count	6
5126	Rotatable_Bond_Count	1
3434472	Isotope_Atom_Count	0
442374	Defined_Atom_Stereo_Count	0
11957654	Covalent_Unit_Count	2
13734208	Tautomer_Count	1
8365	Hydrogen_Bond_Acceptor_Count	3
12415	Undefined_Atom_Stereo_Count	0
196989	Undefined_Bond_Stereo_Count	0
54675779	Covalent_Unit_Count	1
58854	Total_Formal_Charge	0
638021	TPSA	12
57526	Defined_Bond_Stereo_Count	0
4775	Defined_Bond_Stereo_Count	0
77067	Covalent_Unit_Count	2
91667979	TPSA	37.3
62475	Defined_Bond_Stereo_Count	0
136920818	Total_Formal_Charge	0
129721137	Isotope_Atom_Count	0
9244	Rotatable_Bond_Count	0
918436	Hydrogen_Bond_Donor_Count	0
21942008	Undefined_Atom_Stereo_Count	0
17617	Tautomer_Count	1
20388	Molecular_Weight	534.1
37678	Non-hydrogen_Atom_Count	26
18522786	Rotatable_Bond_Count	1
494519	Rotatable_Bond_Count	3
101982233	Hydrogen_Bond_Acceptor_Count	0
90248267	Defined_Atom_Stereo_Count	0
22038	Defined_Atom_Stereo_Count	0
68079	Undefined_Bond_Stereo_Count	0
69913	Molecular_Weight	224.21
67499	Undefined_Bond_Stereo_Count	0
157599173	Undefined_Atom_Stereo_Count	1
157882	Total_Formal_Charge	0
163872483	Rotatable_Bond_Count	15
20058	Isotope_Atom_Count	0
71464121	Mono_Isotopic_Weight	96.057514874
105039	Hydrogen_Bond_Acceptor_Count	3
97886	Molecular_Weight	242.31
96396	Molecular_Weight	174.24
17040	Structure_Complexity	182
32091	Defined_Bond_Stereo_Count	0
49007	Defined_Atom_Stereo_Count	0
53309	Total_Formal_Charge	0
86585	Defined_Bond_Stereo_Count	0
893673	Molecular_Weight	340.21
121630	Non-hydrogen_Atom_Count	7
109318	Non-hydrogen_Atom_Count	14
70693538	Defined_Atom_Stereo_Count	6
69595	Exact_Mass	93.032697108
13019092	TPSA	55.1
657201	Molecular_Weight	362.3
6326719	Hydrogen_Bond_Donor_Count	11
10582773	TPSA	40.5
224833	Rotatable_Bond_Count	2
33728341	Non-hydrogen_Atom_Count	8
317677	Exact_Mass	114.068079557
76997313	Molecular_Weight	97.16
5282451	Defined_Atom_Stereo_Count	4
21718	Molecular_Weight	473.6
9813758	Molecular_Weight	255.32
653419	Total_Formal_Charge	0
12321786	Undefined_Bond_Stereo_Count	0
71209	Total_Formal_Charge	0
42510	Rotatable_Bond_Count	5
11829353	Undefined_Atom_Stereo_Count	0
57515973	Hydrogen_Bond_Donor_Count	4
49866023	Undefined_Atom_Stereo_Count	0
55478	Non-hydrogen_Atom_Count	26
7529	Isotope_Atom_Count	0
14020433	Rotatable_Bond_Count	1
519842	XLogP3-AA	1.7
55290394	Exact_Mass	113.047678466
71024610	Hydrogen_Bond_Donor_Count	8
20093437	Total_Formal_Charge	0
2987927	Non-hydrogen_Atom_Count	20
76138368	Exact_Mass	117.078978594
20666035	Hydrogen_Bond_Acceptor_Count	2
9958278	Exact_Mass	519.13517331
15940949	Molecular_Weight	495.6
467	Exact_Mass	722.44402850
5370611	Structure_Complexity	303
9825084	Exact_Mass	452.10176275
10723	Isotope_Atom_Count	0
644206	Defined_Atom_Stereo_Count	0
53786	Rotatable_Bond_Count	3
54501180	Isotope_Atom_Count	0
91267	Hydrogen_Bond_Donor_Count	1
45116667	Defined_Atom_Stereo_Count	0
8712	Total_Formal_Charge	0
119095034	Mono_Isotopic_Weight	107.037113783
638552	TPSA	33
57572416	Undefined_Bond_Stereo_Count	0
22081030	Covalent_Unit_Count	1
26068	Defined_Atom_Stereo_Count	0
148539	Rotatable_Bond_Count	0
94972	Exact_Mass	194.06261751
23674098	Exact_Mass	429.0777513
272079	TPSA	20.2
56928166	Undefined_Atom_Stereo_Count	2
34850	Undefined_Bond_Stereo_Count	0
215932	TPSA	87.8
67938294	XLogP3-AA	0.3
151205	Hydrogen_Bond_Donor_Count	2
44392161	Mono_Isotopic_Weight	451.262362685
42094	Undefined_Atom_Stereo_Count	1
6434	Tautomer_Count	1
137321858	Structure_Complexity	982
71957	Exact_Mass	196.06129390
13165124	Isotope_Atom_Count	0
11206	Undefined_Atom_Stereo_Count	0
10510843	Isotope_Atom_Count	0
12441297	Undefined_Bond_Stereo_Count	0
5283740	Covalent_Unit_Count	1
12644714	Non-hydrogen_Atom_Count	8
9975270	Total_Formal_Charge	0
91177760	XLogP3-AA	1.4
118572065	Covalent_Unit_Count	1
9704	Defined_Atom_Stereo_Count	0
31272	Rotatable_Bond_Count	4
65564	Total_Formal_Charge	0
155560570	TPSA	57.2
123982	Undefined_Atom_Stereo_Count	0
17043	Total_Formal_Charge	0
11572	XLogP3-AA	2.7
79828	Undefined_Atom_Stereo_Count	0
19879775	Exact_Mass	155.073499291
44263853	Hydrogen_Bond_Donor_Count	0
207584	XLogP3-AA	3.4
172309	Hydrogen_Bond_Donor_Count	0
101165369	Structure_Complexity	415
9886	Structure_Complexity	62.7
8819	Total_Formal_Charge	0
178145	Undefined_Atom_Stereo_Count	1
518964	Covalent_Unit_Count	1
11551	Defined_Atom_Stereo_Count	0
54544033	Hydrogen_Bond_Acceptor_Count	9
12546246	Undefined_Bond_Stereo_Count	0
3775	Undefined_Atom_Stereo_Count	0
12681848	Isotope_Atom_Count	0
21789	Rotatable_Bond_Count	1
3037886	XLogP3	1.8
40467849	Defined_Bond_Stereo_Count	0
3424	Molecular_Weight	303.4
15205080	Rotatable_Bond_Count	1
7017816	Structure_Complexity	88.5
78408892	XLogP3-AA	0.1
98719	Structure_Complexity	233
4242975	Molecular_Weight	257.33
16008685	Covalent_Unit_Count	1
11608786	Molecular_Weight	274.4
86590530	Rotatable_Bond_Count	0
20974	Isotope_Atom_Count	0
123377064	Non-hydrogen_Atom_Count	8
8308	Defined_Bond_Stereo_Count	0
131954782	Undefined_Atom_Stereo_Count	0
558502	Exact_Mass	112.052429494
79718	Non-hydrogen_Atom_Count	22
91089723	Exact_Mass	97.089149355
139179563	Hydrogen_Bond_Acceptor_Count	2
249	Total_Formal_Charge	1
4839	Defined_Bond_Stereo_Count	0
159269	Exact_Mass	242.09027155
24848783	TPSA	93.1
13153908	TPSA	23.6
32933	Defined_Atom_Stereo_Count	0
216324	Tautomer_Count	1
23422064	Non-hydrogen_Atom_Count	12
15352	Tautomer_Count	1
41693	Undefined_Atom_Stereo_Count	0
142733830	Exact_Mass	100.100048391
1268185	Hydrogen_Bond_Acceptor_Count	3
23335962	Isotope_Atom_Count	0
54562	Covalent_Unit_Count	1
5284584	Total_Formal_Charge	0
135489810	Exact_Mass	113.058911855
21460	Total_Formal_Charge	0
22628430	Rotatable_Bond_Count	1
441072	Molecular_Weight	127.23
54572627	Rotatable_Bond_Count	2
70235	Total_Formal_Charge	0
35489	Hydrogen_Bond_Donor_Count	2
46174110	Isotope_Atom_Count	0
98458	Molecular_Weight	183.59
3081884	Non-hydrogen_Atom_Count	43
1289	Undefined_Bond_Stereo_Count	0
10442928	Molecular_Weight	204.35
10214	Defined_Bond_Stereo_Count	0
54610537	Undefined_Atom_Stereo_Count	0
14220	Undefined_Atom_Stereo_Count	1
14200416	Molecular_Weight	114.19
44320150	Tautomer_Count	16
162290	Hydrogen_Bond_Acceptor_Count	6
60154328	Defined_Atom_Stereo_Count	0
6927356	Undefined_Atom_Stereo_Count	0
10862733	Hydrogen_Bond_Acceptor_Count	0
55288485	Defined_Bond_Stereo_Count	0
16407	Covalent_Unit_Count	1
20234581	Structure_Complexity	51.9
7415	XLogP3	1.9
57399428	XLogP3-AA	4.8
6652	Molecular_Weight	204.31
54393203	Undefined_Atom_Stereo_Count	0
9890250	Molecular_Weight	455.9
20485709	Undefined_Bond_Stereo_Count	0
21677578	XLogP3-AA	1
656829	Undefined_Atom_Stereo_Count	1
81099	Exact_Mass	137.084063974
11414	XLogP3	3.6
4178	Molecular_Weight	179.26
8170	Hydrogen_Bond_Acceptor_Count	2
31378	Hydrogen_Bond_Acceptor_Count	6
140554	Covalent_Unit_Count	1
7017	Molecular_Weight	170.21
457825	Mono_Isotopic_Weight	622.30428706
70412	Structure_Complexity	377
21189113	Undefined_Atom_Stereo_Count	0
78607	Undefined_Bond_Stereo_Count	0
9918	Hydrogen_Bond_Acceptor_Count	1
360154	Isotope_Atom_Count	0
5392139	Non-hydrogen_Atom_Count	15
117752163	Defined_Atom_Stereo_Count	1
12241083	Defined_Atom_Stereo_Count	0
60961	Tautomer_Count	3
24578	Defined_Atom_Stereo_Count	0
251513	Structure_Complexity	258
45266826	XLogP3-AA	2
17435	Undefined_Bond_Stereo_Count	0
9963894	Exact_Mass	1416.4380959
90469695	Isotope_Atom_Count	0
68651	Isotope_Atom_Count	0
13263	Molecular_Weight	227.33
6578	Hydrogen_Bond_Donor_Count	1
12151528	Undefined_Bond_Stereo_Count	0
91590871	Rotatable_Bond_Count	2
5170	TPSA	143
107	Defined_Bond_Stereo_Count	0
441113	XLogP3-AA	1.8
5384411	Isotope_Atom_Count	0
5466139	Covalent_Unit_Count	1
22832145	Undefined_Bond_Stereo_Count	0
88318	Mono_Isotopic_Weight	87.104799419
12651819	Structure_Complexity	31.3
36037	Structure_Complexity	294
12217497	Total_Formal_Charge	0
86134	Hydrogen_Bond_Acceptor_Count	6
17424	Defined_Atom_Stereo_Count	0
545809	Hydrogen_Bond_Donor_Count	1
3640	Non-hydrogen_Atom_Count	26
60196393	Isotope_Atom_Count	0
636403	Rotatable_Bond_Count	6
445694	Exact_Mass	164.094963011
546259	Defined_Atom_Stereo_Count	0
8160	Hydrogen_Bond_Acceptor_Count	3
8055	Non-hydrogen_Atom_Count	8
13314	Exact_Mass	334.0275830
71272	Exact_Mass	392.02910
164702	Covalent_Unit_Count	1
24901351	Total_Formal_Charge	0
42405	XLogP3-AA	3.8
5362376	Undefined_Atom_Stereo_Count	0
4141522	Molecular_Weight	169.20
27665	XLogP3	2.7
88578918	Undefined_Atom_Stereo_Count	0
56626	Hydrogen_Bond_Donor_Count	1
60155273	Molecular_Weight	474.6
18776	Molecular_Weight	681.7
44374	Mono_Isotopic_Weight	297.078978594
49855683	Non-hydrogen_Atom_Count	29
131567	Undefined_Bond_Stereo_Count	0
38141	Molecular_Weight	371.9
44462985	Hydrogen_Bond_Donor_Count	0
100886	Exact_Mass	114.104465066
642240	Hydrogen_Bond_Donor_Count	1
5459910	Non-hydrogen_Atom_Count	22
6458	Rotatable_Bond_Count	3
21872023	Molecular_Weight	443.0
34303	XLogP3-AA	6.4
449462	Undefined_Bond_Stereo_Count	0
59145	Defined_Atom_Stereo_Count	0
42396	Total_Formal_Charge	0
44031	TPSA	16.6
57073922	Non-hydrogen_Atom_Count	8
11764	Rotatable_Bond_Count	0
2895	Mono_Isotopic_Weight	275.167399674
139589209	Undefined_Bond_Stereo_Count	0
73072210	Isotope_Atom_Count	0
15376	Molecular_Weight	354.4
140473289	Molecular_Weight	1202.6
10414749	Undefined_Bond_Stereo_Count	0
14274724	Total_Formal_Charge	0
57255938	Non-hydrogen_Atom_Count	8
57398150	Undefined_Atom_Stereo_Count	0
12532405	Non-hydrogen_Atom_Count	7
78027	Defined_Atom_Stereo_Count	0
423792	Structure_Complexity	479
6433402	Undefined_Bond_Stereo_Count	0
14786610	Non-hydrogen_Atom_Count	7
11136	Defined_Bond_Stereo_Count	0
84883	Defined_Bond_Stereo_Count	0
12313170	Hydrogen_Bond_Acceptor_Count	10
20669981	Exact_Mass	112.100048391
107800	Rotatable_Bond_Count	7
105037	Mono_Isotopic_Weight	153.078978594
101399329	Covalent_Unit_Count	1
26816	Hydrogen_Bond_Donor_Count	1
12476693	XLogP3-AA	0
2777083	Undefined_Bond_Stereo_Count	0
13519	XLogP3-AA	1.3
134692189	Undefined_Atom_Stereo_Count	6
12021	Non-hydrogen_Atom_Count	6
20767638	Molecular_Weight	113.12
1825	Defined_Atom_Stereo_Count	0
5360315	Hydrogen_Bond_Donor_Count	0
5364328	Exact_Mass	79.042199164
44454986	Hydrogen_Bond_Acceptor_Count	9
83553	Isotope_Atom_Count	0
124443	Covalent_Unit_Count	1
72106	Molecular_Weight	395.4
295763	TPSA	51.8
57354313	Undefined_Bond_Stereo_Count	0
8437	Tautomer_Count	1
101249755	Mono_Isotopic_Weight	344.19875937
123359	Structure_Complexity	2
87527569	Undefined_Bond_Stereo_Count	0
53694406	Undefined_Bond_Stereo_Count	0
70144	Mono_Isotopic_Weight	164.047344113
4980	Defined_Bond_Stereo_Count	0
8754	Mono_Isotopic_Weight	304.300425216
86380	Covalent_Unit_Count	1
22175537	Defined_Bond_Stereo_Count	0
6956367	TPSA	106
71433133	XLogP3-AA	0.6
9832383	XLogP3-AA	4.7
9809	Molecular_Weight	270.55
448702	Non-hydrogen_Atom_Count	12
46943432	XLogP3-AA	2.9
9950094	Molecular_Weight	345.8
10415	Structure_Complexity	69.1
181138	Defined_Atom_Stereo_Count	0
53698003	Exact_Mass	92.062600255
439811	Defined_Atom_Stereo_Count	0
19370943	Undefined_Bond_Stereo_Count	0
60203	Non-hydrogen_Atom_Count	16
4635	Structure_Complexity	553
62787	Rotatable_Bond_Count	4
3036222	Defined_Atom_Stereo_Count	3
159652940	Non-hydrogen_Atom_Count	6
157042408	Non-hydrogen_Atom_Count	8
5285554	Covalent_Unit_Count	1
4676	Exact_Mass	339.12527733
10041070	Defined_Bond_Stereo_Count	0
12391	Non-hydrogen_Atom_Count	15
57430	XLogP3-AA	2.9
16139605	Defined_Atom_Stereo_Count	38
2588	Non-hydrogen_Atom_Count	40
65	Molecular_Weight	179.00
77495	Non-hydrogen_Atom_Count	7
4382	Non-hydrogen_Atom_Count	12
535480	Defined_Bond_Stereo_Count	0
19027815	Isotope_Atom_Count	0
60196404	Covalent_Unit_Count	2
165609608	Rotatable_Bond_Count	2
138059664	Rotatable_Bond_Count	25
12151528	Hydrogen_Bond_Acceptor_Count	2
712078	Hydrogen_Bond_Acceptor_Count	4
69334703	Structure_Complexity	65.1
66783827	Undefined_Atom_Stereo_Count	2
5284587	Undefined_Bond_Stereo_Count	0
984445	Hydrogen_Bond_Donor_Count	0
3797915	Rotatable_Bond_Count	0
51081	Molecular_Weight	333.36
15086	Hydrogen_Bond_Acceptor_Count	0
441345	Mono_Isotopic_Weight	427.1550360
12695618	Rotatable_Bond_Count	0
73415770	Defined_Bond_Stereo_Count	0
38779	Structure_Complexity	296
25213416	TPSA	26
108150	Defined_Atom_Stereo_Count	7
69512	Defined_Bond_Stereo_Count	0
57458911	Non-hydrogen_Atom_Count	17
33400	Exact_Mass	343.036958
57642398	Undefined_Atom_Stereo_Count	0
38668	Tautomer_Count	3
23677992	Defined_Atom_Stereo_Count	0
82727	Molecular_Weight	102.18
10176730	Isotope_Atom_Count	0
407032	Rotatable_Bond_Count	1
5319754	Hydrogen_Bond_Donor_Count	0
25203153	Defined_Atom_Stereo_Count	0
20729526	Total_Formal_Charge	0
155491233	Hydrogen_Bond_Acceptor_Count	8
23151396	Rotatable_Bond_Count	0
6950337	Rotatable_Bond_Count	2
81971	Defined_Bond_Stereo_Count	0
58247618	Covalent_Unit_Count	1
253877	Undefined_Atom_Stereo_Count	0
123618	Covalent_Unit_Count	1
90094652	Exact_Mass	115.063328530
668744	Undefined_Atom_Stereo_Count	0
59603622	Isotope_Atom_Count	0
2733336	Structure_Complexity	10.8
134914194	Molecular_Weight	99.07
9007	Isotope_Atom_Count	0
148198	Defined_Atom_Stereo_Count	0
57401370	Total_Formal_Charge	0
21900379	Defined_Bond_Stereo_Count	0
95700	Undefined_Atom_Stereo_Count	0
77222	Molecular_Weight	564.09
170286	Hydrogen_Bond_Acceptor_Count	9
67948733	Total_Formal_Charge	0
13632	Isotope_Atom_Count	0
1450	Molecular_Weight	386.5
54114222	Undefined_Atom_Stereo_Count	1
4427	TPSA	97.6
3000667	Total_Formal_Charge	0
50769	Mono_Isotopic_Weight	320.246378268
534918	Isotope_Atom_Count	0
492967	Defined_Bond_Stereo_Count	0
100959353	TPSA	104
21061676	Undefined_Bond_Stereo_Count	0
49865863	Hydrogen_Bond_Acceptor_Count	4
5003096	Rotatable_Bond_Count	3
5026	TPSA	123
87599626	Defined_Bond_Stereo_Count	0
23663390	Total_Formal_Charge	0
6426632	Undefined_Bond_Stereo_Count	0
138323	Total_Formal_Charge	0
298391	Defined_Bond_Stereo_Count	0
137724	Defined_Atom_Stereo_Count	0
13961743	Covalent_Unit_Count	2
4040	Molecular_Weight	135.19
143716909	Molecular_Weight	112.17
12248306	Molecular_Weight	230.14
403805	Undefined_Bond_Stereo_Count	0
56955180	Defined_Bond_Stereo_Count	0
44251266	Exact_Mass	376.22497412
17480032	Molecular_Weight	343.36
54583833	Undefined_Bond_Stereo_Count	0
61199	Total_Formal_Charge	0
10975438	Defined_Bond_Stereo_Count	0
7403	Hydrogen_Bond_Acceptor_Count	2
25263479	Molecular_Weight	447.3
69232870	Structure_Complexity	147
82325	Covalent_Unit_Count	3
10351178	Hydrogen_Bond_Donor_Count	2
24393	Undefined_Atom_Stereo_Count	0
26248	Isotope_Atom_Count	0
74864	Defined_Bond_Stereo_Count	0
18199	Defined_Bond_Stereo_Count	0
53481622	Molecular_Weight	275.30
87820	Non-hydrogen_Atom_Count	13
1080	Exact_Mass	179.02522894
24968	Undefined_Bond_Stereo_Count	0
73584	Defined_Atom_Stereo_Count	1
2866	XLogP3	2.9
668390	Defined_Atom_Stereo_Count	0
441412	Defined_Atom_Stereo_Count	0
66687596	Undefined_Atom_Stereo_Count	0
5152312	Molecular_Weight	291.09
22129000	Covalent_Unit_Count	1
37542	Hydrogen_Bond_Donor_Count	4
141282199	Undefined_Atom_Stereo_Count	2
71457269	XLogP3-AA	2.4
9549180	Covalent_Unit_Count	1
18398	Mono_Isotopic_Weight	114.068079557
11865436	Total_Formal_Charge	0
3032576	Mono_Isotopic_Weight	324.183778013
6338	Tautomer_Count	1
87282052	Covalent_Unit_Count	1
51941	Exact_Mass	117.102788042
10558601	Hydrogen_Bond_Donor_Count	2
9256	Isotope_Atom_Count	0
6409631	Hydrogen_Bond_Donor_Count	8
6433	Defined_Atom_Stereo_Count	0
18928374	Hydrogen_Bond_Donor_Count	1
5738	Defined_Bond_Stereo_Count	0
57265913	Undefined_Atom_Stereo_Count	2
57399125	Exact_Mass	391.09324650
4054588	Structure_Complexity	75.6
6365696	Defined_Bond_Stereo_Count	1
46204457	Total_Formal_Charge	0
12414280	Structure_Complexity	134
12623293	Molecular_Weight	94.15
123178351	Mono_Isotopic_Weight	99.104799419
55472	Undefined_Bond_Stereo_Count	0
12678417	Rotatable_Bond_Count	1
129681963	Non-hydrogen_Atom_Count	17
446080	Undefined_Bond_Stereo_Count	0
72734520	Isotope_Atom_Count	0
23675743	Undefined_Atom_Stereo_Count	0
442027	Defined_Bond_Stereo_Count	0
17343	Hydrogen_Bond_Acceptor_Count	2
19991465	Undefined_Bond_Stereo_Count	0
40684	Exact_Mass	490.20386201
66718838	Hydrogen_Bond_Donor_Count	2
98675	Mono_Isotopic_Weight	254.260965704
20333380	Covalent_Unit_Count	1
65910	Non-hydrogen_Atom_Count	41
784	Non-hydrogen_Atom_Count	2
51375034	Defined_Bond_Stereo_Count	0
63141	Hydrogen_Bond_Donor_Count	0
9979	Rotatable_Bond_Count	3
57358493	Hydrogen_Bond_Donor_Count	4
129009603	XLogP3	2.9
9877351	Isotope_Atom_Count	0
78295	Isotope_Atom_Count	0
92110	Undefined_Atom_Stereo_Count	0
92855	Non-hydrogen_Atom_Count	26
10111431	Hydrogen_Bond_Acceptor_Count	5
1574	TPSA	62
126569786	Hydrogen_Bond_Donor_Count	5
2713	Defined_Bond_Stereo_Count	0
444302	Molecular_Weight	299.43
524270	TPSA	18.5
25014762	Rotatable_Bond_Count	6
66776828	Mono_Isotopic_Weight	428.19607403
23724827	Mono_Isotopic_Weight	271.02388588
9037	Undefined_Atom_Stereo_Count	0
7443	Undefined_Bond_Stereo_Count	0
35056	Hydrogen_Bond_Acceptor_Count	5
77129	Defined_Atom_Stereo_Count	0
79048	Undefined_Bond_Stereo_Count	1
13077	Defined_Bond_Stereo_Count	0
70882	Undefined_Bond_Stereo_Count	0
20607721	Hydrogen_Bond_Acceptor_Count	0
312127	XLogP3-AA	1.8
670359	Defined_Bond_Stereo_Count	0
69095	Undefined_Bond_Stereo_Count	0
4822	Covalent_Unit_Count	1
6884	Tautomer_Count	1
21058171	Mono_Isotopic_Weight	112.063662883
12285866	Isotope_Atom_Count	1
141201	Isotope_Atom_Count	0
2354	TPSA	137
25271860	Isotope_Atom_Count	0
10630446	Molecular_Weight	100.12
50993725	XLogP3-AA	2.4
92387	Molecular_Weight	279.4
141297532	TPSA	38.6
4280	Mono_Isotopic_Weight	289.06200837
101718250	Undefined_Bond_Stereo_Count	0
519	TPSA	162
154104	Structure_Complexity	499
911	Hydrogen_Bond_Acceptor_Count	4
9833407	Rotatable_Bond_Count	19
3037234	Total_Formal_Charge	0
388136	Mono_Isotopic_Weight	308.868467
67106798	Defined_Bond_Stereo_Count	0
46906319	Exact_Mass	325.14780704
62384	Molecular_Weight	116.16
78438	TPSA	41.1
44410959	Structure_Complexity	617
43859	Hydrogen_Bond_Acceptor_Count	3
19751	TPSA	0
44630251	Total_Formal_Charge	0
76583	Total_Formal_Charge	0
12762443	Total_Formal_Charge	0
12576852	Total_Formal_Charge	0
130872	Exact_Mass	260.02971899
221125	Isotope_Atom_Count	0
21779240	Covalent_Unit_Count	1
57057991	Total_Formal_Charge	0
13218140	Mono_Isotopic_Weight	114.068079557
75987414	Total_Formal_Charge	0
24871512	Isotope_Atom_Count	0
16218739	Molecular_Weight	388.5
37419	Covalent_Unit_Count	1
72200674	Hydrogen_Bond_Acceptor_Count	4
13699300	TPSA	35.5
36689718	Covalent_Unit_Count	1
3000469	Total_Formal_Charge	0
155815	Covalent_Unit_Count	1
2724032	Hydrogen_Bond_Donor_Count	1
226057	Undefined_Bond_Stereo_Count	0
44139752	Structure_Complexity	337
69111	Defined_Atom_Stereo_Count	0
20353	Mono_Isotopic_Weight	530.39712482
7155	Structure_Complexity	242
4357	Structure_Complexity	246
5364420	Defined_Bond_Stereo_Count	1
3489	XLogP3	2.5
21998248	Molecular_Weight	114.12
55804	Undefined_Atom_Stereo_Count	1
10470544	Molecular_Weight	308.5
4054588	Undefined_Bond_Stereo_Count	1
697959	Non-hydrogen_Atom_Count	14
68075820	Hydrogen_Bond_Acceptor_Count	1
12394646	Undefined_Atom_Stereo_Count	0
55285775	Defined_Atom_Stereo_Count	0
6281	Covalent_Unit_Count	1
14260	Rotatable_Bond_Count	11
13445099	Undefined_Atom_Stereo_Count	0
658	Isotope_Atom_Count	0
792027	Structure_Complexity	229
6378	Hydrogen_Bond_Acceptor_Count	1
9690122	Defined_Atom_Stereo_Count	2
9013	Covalent_Unit_Count	1
14768	Covalent_Unit_Count	1
39421	Total_Formal_Charge	0
445114	Tautomer_Count	4
85573568	Mono_Isotopic_Weight	97.063997236
46964	Non-hydrogen_Atom_Count	16
145215803	Structure_Complexity	121
197581	Molecular_Weight	711.4
2788	Exact_Mass	304.91044
10443	Defined_Bond_Stereo_Count	0
101875160	Molecular_Weight	99.13
81416328	Molecular_Weight	114.19
24848260	Rotatable_Bond_Count	6
82752	Hydrogen_Bond_Donor_Count	0
9543169	Hydrogen_Bond_Acceptor_Count	22
6438583	XLogP3-AA	5.8
165675	Covalent_Unit_Count	1
34769	Defined_Bond_Stereo_Count	0
16726631	Defined_Atom_Stereo_Count	0
90460054	Isotope_Atom_Count	0
413728	Undefined_Bond_Stereo_Count	0
6040503	Undefined_Atom_Stereo_Count	0
130443288	Mono_Isotopic_Weight	1201.84136802
23681233	Isotope_Atom_Count	0
26630	TPSA	17.1
22082840	TPSA	26
70337	Defined_Atom_Stereo_Count	0
75005	Isotope_Atom_Count	0
86049135	TPSA	37.3
17995824	Hydrogen_Bond_Acceptor_Count	2
53298027	Undefined_Bond_Stereo_Count	0
21168	Defined_Atom_Stereo_Count	0
16248	Undefined_Bond_Stereo_Count	0
59456120	Structure_Complexity	623
31903	Undefined_Bond_Stereo_Count	0
506015	Defined_Bond_Stereo_Count	0
135659063	Covalent_Unit_Count	1
366731	Total_Formal_Charge	0
657238	Defined_Bond_Stereo_Count	0
15664	Structure_Complexity	161
16639	Hydrogen_Bond_Acceptor_Count	2
5288672	Undefined_Atom_Stereo_Count	0
69272932	TPSA	62.2
136093	Mono_Isotopic_Weight	97.089149355
71583043	Hydrogen_Bond_Acceptor_Count	6
40361	Rotatable_Bond_Count	5
65651	Structure_Complexity	694
19137	Hydrogen_Bond_Acceptor_Count	3
3578945	Defined_Atom_Stereo_Count	0
520847	Covalent_Unit_Count	1
53908	Mono_Isotopic_Weight	308.0903253
73024	Exact_Mass	256.06703418
2736567	Non-hydrogen_Atom_Count	8
10329124	Hydrogen_Bond_Acceptor_Count	23
90887873	Hydrogen_Bond_Donor_Count	0
11908488	Undefined_Atom_Stereo_Count	0
5772	Non-hydrogen_Atom_Count	73
9820008	Defined_Bond_Stereo_Count	0
158144361	Defined_Atom_Stereo_Count	0
14336	Total_Formal_Charge	0
14297259	Defined_Bond_Stereo_Count	0
3016416	Total_Formal_Charge	0
5573	Undefined_Bond_Stereo_Count	0
2568	XLogP3-AA	0.4
141829	Exact_Mass	85.052763847
10176216	Non-hydrogen_Atom_Count	4
5359367	Covalent_Unit_Count	1
8194	Total_Formal_Charge	0
9168	Undefined_Bond_Stereo_Count	0
77241	Rotatable_Bond_Count	3
10812218	Total_Formal_Charge	0
23421180	Covalent_Unit_Count	1
969	Hydrogen_Bond_Donor_Count	11
6927356	XLogP3	2.6
9548634	Molecular_Weight	437.5
24529	Defined_Bond_Stereo_Count	0
77721	Structure_Complexity	297
16375	Covalent_Unit_Count	1
448042	Isotope_Atom_Count	0
61120	Total_Formal_Charge	0
202877	Isotope_Atom_Count	0
64488	Undefined_Bond_Stereo_Count	0
14443	Covalent_Unit_Count	1
135611162	Non-hydrogen_Atom_Count	36
9833407	Isotope_Atom_Count	0
4560140	Defined_Atom_Stereo_Count	0
11640390	Total_Formal_Charge	0
137572	Undefined_Bond_Stereo_Count	1
14268486	Defined_Bond_Stereo_Count	0
18923110	Undefined_Bond_Stereo_Count	0
637146	Hydrogen_Bond_Donor_Count	0
5931	Mono_Isotopic_Weight	123.068413911
2733525	Hydrogen_Bond_Donor_Count	4
68566969	TPSA	9.2
27054	Exact_Mass	167.058243149
67648	Non-hydrogen_Atom_Count	22
129815925	TPSA	24.4
81056	Rotatable_Bond_Count	0
118665446	Isotope_Atom_Count	0
65822	Defined_Atom_Stereo_Count	0
8581	Tautomer_Count	414
516910	TPSA	52.5
59390227	Defined_Atom_Stereo_Count	0
36119	Molecular_Weight	447.5
3036443	Undefined_Atom_Stereo_Count	0
26903	Covalent_Unit_Count	1
135747	Undefined_Bond_Stereo_Count	0
10219384	Undefined_Atom_Stereo_Count	0
2343	Hydrogen_Bond_Donor_Count	2
130142668	Isotope_Atom_Count	0
53851	Molecular_Weight	317.5
6434112	Molecular_Weight	416.6
88022	Covalent_Unit_Count	1
65049734	TPSA	12.5
18065	Defined_Atom_Stereo_Count	0
24883445	Rotatable_Bond_Count	0
66214	Tautomer_Count	1
13877	Defined_Bond_Stereo_Count	0
19747	Undefined_Bond_Stereo_Count	0
141103237	Non-hydrogen_Atom_Count	8
449462	Mono_Isotopic_Weight	179.07937252
168131	Mono_Isotopic_Weight	251.154823615
3036	Exact_Mass	353.911739
2119	Molecular_Weight	249.35
118458	Hydrogen_Bond_Acceptor_Count	3
53627587	Structure_Complexity	72.1
24202578	Hydrogen_Bond_Donor_Count	2
11610354	Undefined_Atom_Stereo_Count	0
705	Hydrogen_Bond_Acceptor_Count	21
1877	Rotatable_Bond_Count	16
4975	Defined_Bond_Stereo_Count	0
83644	Defined_Bond_Stereo_Count	0
113917	Rotatable_Bond_Count	4
84648	Hydrogen_Bond_Acceptor_Count	3
15505	XLogP3-AA	4.6
23663939	Tautomer_Count	18
6973656	Isotope_Atom_Count	0
97469	TPSA	31.2
164026416	Hydrogen_Bond_Donor_Count	0
7083	Defined_Bond_Stereo_Count	0
2370	TPSA	52.3
56603751	Defined_Atom_Stereo_Count	0
140511	Hydrogen_Bond_Acceptor_Count	1
71310221	Rotatable_Bond_Count	16
676486	Rotatable_Bond_Count	1
12540907	Defined_Atom_Stereo_Count	0
71945	Undefined_Bond_Stereo_Count	0
71254	XLogP3-AA	1.7
4684505	Exact_Mass	338.08668395
12233709	Undefined_Atom_Stereo_Count	0
10422	Non-hydrogen_Atom_Count	4
16211884	Rotatable_Bond_Count	1
23039770	Rotatable_Bond_Count	2
5224	TPSA	214
123880043	Structure_Complexity	84.6
33746	Hydrogen_Bond_Acceptor_Count	3
95162410	Hydrogen_Bond_Acceptor_Count	11
445750	Isotope_Atom_Count	0
87517	XLogP3-AA	3
71031	Mono_Isotopic_Weight	250.01222190
41596	Hydrogen_Bond_Donor_Count	2
44590445	Undefined_Bond_Stereo_Count	0
63407	TPSA	53.1
91266152	Molecular_Weight	94.15
81133	Undefined_Bond_Stereo_Count	0
66972027	Molecular_Weight	109.13
156599083	Non-hydrogen_Atom_Count	37
5288173	Structure_Complexity	598
25254	Defined_Bond_Stereo_Count	0
24752885	Exact_Mass	270.18310931
28660	Total_Formal_Charge	0
126505488	Isotope_Atom_Count	0
67054	Hydrogen_Bond_Donor_Count	2
65764	Tautomer_Count	2
87646	Defined_Bond_Stereo_Count	0
47267	Hydrogen_Bond_Donor_Count	0
5903	Defined_Atom_Stereo_Count	3
449355	Hydrogen_Bond_Acceptor_Count	9
71441408	Total_Formal_Charge	0
11194307	XLogP3-AA	2.5
11278075	Rotatable_Bond_Count	0
200	Tautomer_Count	5
74356	TPSA	28.7
32881	Covalent_Unit_Count	1
22208	Total_Formal_Charge	0
71737800	Defined_Bond_Stereo_Count	0
4459	Isotope_Atom_Count	0
477	Defined_Atom_Stereo_Count	0
226	Molecular_Weight	79.038
22990584	XLogP3-AA	1.6
86054107	XLogP3-AA	4.5
136254272	Exact_Mass	371.14945819
43678	Non-hydrogen_Atom_Count	29
445576	TPSA	54.4
69401251	Total_Formal_Charge	0
18928374	Covalent_Unit_Count	1
3288	Covalent_Unit_Count	1
11395145	TPSA	103
970341	Non-hydrogen_Atom_Count	23
42580060	Non-hydrogen_Atom_Count	23
115157	Defined_Bond_Stereo_Count	0
638097	Covalent_Unit_Count	1
543706	Covalent_Unit_Count	1
13122	Non-hydrogen_Atom_Count	29
154724068	Non-hydrogen_Atom_Count	12
8936	Rotatable_Bond_Count	10
13711	Non-hydrogen_Atom_Count	16
83960	Molecular_Weight	499.2
47289	TPSA	62.6
15442	Rotatable_Bond_Count	1
56841872	Mono_Isotopic_Weight	392.19990218
58913258	Rotatable_Bond_Count	1
65356	Structure_Complexity	423
5289531	Defined_Atom_Stereo_Count	1
57401683	Undefined_Atom_Stereo_Count	0
668601	Total_Formal_Charge	0
11009532	Hydrogen_Bond_Acceptor_Count	1
46174110	Covalent_Unit_Count	2
140055	Non-hydrogen_Atom_Count	8
56149	Mono_Isotopic_Weight	431.87194
135974	Covalent_Unit_Count	1
20111	Undefined_Atom_Stereo_Count	0
56670160	Undefined_Bond_Stereo_Count	0
32414	Exact_Mass	233.141578849
371715	Rotatable_Bond_Count	1
19995942	Non-hydrogen_Atom_Count	5
65659	XLogP3-AA	1.8
34837	Defined_Bond_Stereo_Count	0
91826482	Hydrogen_Bond_Acceptor_Count	9
6278	Mono_Isotopic_Weight	131.930033
4409	Undefined_Bond_Stereo_Count	0
59774	Hydrogen_Bond_Acceptor_Count	4
57286318	TPSA	45.4
5593	Isotope_Atom_Count	0
159866	Defined_Bond_Stereo_Count	0
4479095	Exact_Mass	596.8033
19006610	Exact_Mass	114.104465066
123222	XLogP3-AA	1.4
53380818	Rotatable_Bond_Count	5
44629543	Structure_Complexity	1090
60196357	Hydrogen_Bond_Donor_Count	32
854389	Hydrogen_Bond_Donor_Count	1
6064	Undefined_Atom_Stereo_Count	0
259821	Undefined_Bond_Stereo_Count	0
40705	XLogP3	2.9
88728889	Isotope_Atom_Count	0
154731207	Defined_Atom_Stereo_Count	8
16212801	Molecular_Weight	1355.4
5370664	Total_Formal_Charge	0
79506	XLogP3	1.9
64980	XLogP3-AA	6.2
16726	TPSA	69.7
18555	Rotatable_Bond_Count	0
139079484	Undefined_Atom_Stereo_Count	0
58143010	TPSA	43.4
19460	TPSA	0
3305	Defined_Atom_Stereo_Count	0
5326566	Defined_Bond_Stereo_Count	0
101432819	Non-hydrogen_Atom_Count	9
60992	Undefined_Bond_Stereo_Count	0
5320191	Covalent_Unit_Count	1
19100566	Defined_Bond_Stereo_Count	0
9774	XLogP3	0.7
70837	Molecular_Weight	230.22
12002	Rotatable_Bond_Count	0
3180466	Rotatable_Bond_Count	8
49597	Hydrogen_Bond_Acceptor_Count	5
164076539	Defined_Bond_Stereo_Count	0
19571	XLogP3	5.1
23674183	Exact_Mass	351.08648614
954443	Mono_Isotopic_Weight	291.0581549
8981	Isotope_Atom_Count	0
57279669	XLogP3-AA	0.2
71967	Undefined_Atom_Stereo_Count	0
14499	Defined_Bond_Stereo_Count	0
27866	Defined_Bond_Stereo_Count	0
5681	Tautomer_Count	1
88983603	Undefined_Bond_Stereo_Count	0
79081	Tautomer_Count	1
67465	Undefined_Bond_Stereo_Count	0
16224745	TPSA	86.1
72392	Isotope_Atom_Count	0
66647165	Structure_Complexity	42.8
3037886	Non-hydrogen_Atom_Count	17
20003	TPSA	0
3081545	Total_Formal_Charge	0
57978852	Mono_Isotopic_Weight	115.063328530
39528	Hydrogen_Bond_Donor_Count	1
13270940	TPSA	9.2
7896	Tautomer_Count	1
4395139	Hydrogen_Bond_Acceptor_Count	1
5479141	Undefined_Bond_Stereo_Count	0
75757	Structure_Complexity	226
21365956	Structure_Complexity	364
58640	Covalent_Unit_Count	1
9819610	Defined_Bond_Stereo_Count	0
71277	Isotope_Atom_Count	0
16969	Exact_Mass	120.093900383
91463	Tautomer_Count	1
22725651	Rotatable_Bond_Count	0
4317	Defined_Atom_Stereo_Count	0
37524	Hydrogen_Bond_Donor_Count	2
16130957	Defined_Atom_Stereo_Count	10
71355988	Isotope_Atom_Count	0
61100	TPSA	121
68363	XLogP3-AA	4.7
750204	Hydrogen_Bond_Donor_Count	1
318232	Undefined_Atom_Stereo_Count	0
93131	Isotope_Atom_Count	0
522065	Defined_Atom_Stereo_Count	0
5320621	Structure_Complexity	376
225711	Defined_Bond_Stereo_Count	0
13609260	Mono_Isotopic_Weight	116.083729621
134393564	Isotope_Atom_Count	0
19601131	Defined_Bond_Stereo_Count	0
12333	Rotatable_Bond_Count	2
636402	Rotatable_Bond_Count	4
409535	Total_Formal_Charge	0
442374	Molecular_Weight	236.35
5287596	Mono_Isotopic_Weight	446.17362451
4479095	Defined_Bond_Stereo_Count	0
461307	Hydrogen_Bond_Acceptor_Count	9
31356	Undefined_Bond_Stereo_Count	0
9971980	Defined_Atom_Stereo_Count	0
74506	Structure_Complexity	235
520548	Isotope_Atom_Count	0
25245365	Exact_Mass	584.28914480
9385	Mono_Isotopic_Weight	151.9407399
71080	Non-hydrogen_Atom_Count	6
445049	Structure_Complexity	459
55250378	Rotatable_Bond_Count	0
10887868	XLogP3-AA	0.1
60840	Hydrogen_Bond_Acceptor_Count	1
54126052	Isotope_Atom_Count	0
79122	Undefined_Atom_Stereo_Count	1
18414852	Isotope_Atom_Count	0
7201	Mono_Isotopic_Weight	135.104799419
9578507	TPSA	155
23681217	Exact_Mass	206.06673650
119083374	Rotatable_Bond_Count	0
13854255	Isotope_Atom_Count	0
116047519	Molecular_Weight	113.16
200742	Hydrogen_Bond_Donor_Count	0
37020	Total_Formal_Charge	0
136589	Non-hydrogen_Atom_Count	6
28284151	Mono_Isotopic_Weight	477.1064684
5319	Undefined_Bond_Stereo_Count	0
4202	Hydrogen_Bond_Acceptor_Count	8
11214	Mono_Isotopic_Weight	548.29853298
98053103	Isotope_Atom_Count	0
66575068	TPSA	276
5475462	Hydrogen_Bond_Acceptor_Count	1
964856	XLogP3-AA	4
56008	Structure_Complexity	710
54022694	Covalent_Unit_Count	1
42827	Rotatable_Bond_Count	2
10453	Rotatable_Bond_Count	13
2762647	Non-hydrogen_Atom_Count	36
57707	Mono_Isotopic_Weight	305.0949343
23747	Non-hydrogen_Atom_Count	36
20396384	XLogP3-AA	0.8
123190012	Exact_Mass	94.078250319
5371993	Defined_Bond_Stereo_Count	2
16213080	Non-hydrogen_Atom_Count	30
60992	Hydrogen_Bond_Acceptor_Count	2
6918612	Rotatable_Bond_Count	5
5226	Covalent_Unit_Count	1
2909	Defined_Bond_Stereo_Count	0
18640873	Total_Formal_Charge	0
24848269	Undefined_Atom_Stereo_Count	0
5045	Defined_Bond_Stereo_Count	0
3725082	Non-hydrogen_Atom_Count	15
55290736	Isotope_Atom_Count	0
57393918	Total_Formal_Charge	0
129010331	Undefined_Atom_Stereo_Count	4
17215	Covalent_Unit_Count	1
171548	Undefined_Bond_Stereo_Count	0
12702016	Mono_Isotopic_Weight	116.026214747
95162415	Undefined_Atom_Stereo_Count	0
13727	Mono_Isotopic_Weight	279.1753775
688378	Rotatable_Bond_Count	4
89103941	Undefined_Bond_Stereo_Count	0
13356643	Covalent_Unit_Count	1
77987229	Structure_Complexity	694
447249	Defined_Atom_Stereo_Count	1
41653	Defined_Atom_Stereo_Count	16
26969	Non-hydrogen_Atom_Count	5
15232	Molecular_Weight	909.1
56841558	Isotope_Atom_Count	0
18504387	Molecular_Weight	82.10
6440459	Total_Formal_Charge	0
6185	Rotatable_Bond_Count	2
12001	Undefined_Atom_Stereo_Count	0
12868288	Rotatable_Bond_Count	1
12329	Undefined_Atom_Stereo_Count	0
36422	Isotope_Atom_Count	0
8319	Mono_Isotopic_Weight	391.0611356
16299	Molecular_Weight	208.25
4932	TPSA	58.6
76959818	Exact_Mass	369.254203300
5326637	Covalent_Unit_Count	1
6915944	Mono_Isotopic_Weight	395.03581088
402827	TPSA	98.8
129634850	Isotope_Atom_Count	0
67420901	Undefined_Bond_Stereo_Count	0
55191	Molecular_Weight	359.5
170254	Defined_Bond_Stereo_Count	0
96891	Defined_Atom_Stereo_Count	0
15559317	Mono_Isotopic_Weight	842.51400504
14813	Defined_Atom_Stereo_Count	0
14517197	Molecular_Weight	107.11
7669	Total_Formal_Charge	0
13158036	Tautomer_Count	1
12021	Molecular_Weight	90.08
6998296	Exact_Mass	146.08171824
60196385	Mono_Isotopic_Weight	221.07791
4779	Non-hydrogen_Atom_Count	23
535053	Rotatable_Bond_Count	1
613	Exact_Mass	867.13125424
144292374	Rotatable_Bond_Count	0
235713	Exact_Mass	182.03275668
23725056	Molecular_Weight	761.8
3149	Undefined_Atom_Stereo_Count	0
3080935	Isotope_Atom_Count	0
19734140	Covalent_Unit_Count	1
90714454	Molecular_Weight	116.16
471360	Structure_Complexity	230
439778	Defined_Atom_Stereo_Count	0
12476101	XLogP3-AA	2.7
16989	Undefined_Bond_Stereo_Count	0
154909	Isotope_Atom_Count	0
129846	Undefined_Bond_Stereo_Count	0
11246	Covalent_Unit_Count	2
24972541	Total_Formal_Charge	0
53384597	Defined_Bond_Stereo_Count	0
593919	Mono_Isotopic_Weight	200.94254
10002668	Isotope_Atom_Count	0
9815689	Total_Formal_Charge	0
11230	Rotatable_Bond_Count	1
103940	Defined_Atom_Stereo_Count	0
64956	Molecular_Weight	103.12
9984	Defined_Atom_Stereo_Count	0
17925	Structure_Complexity	413
59339316	Hydrogen_Bond_Acceptor_Count	2
3001322	Hydrogen_Bond_Donor_Count	3
25315	Undefined_Bond_Stereo_Count	0
15774	Exact_Mass	481.20108287
4066093	TPSA	20.2
57395978	Undefined_Atom_Stereo_Count	1
69677	Non-hydrogen_Atom_Count	9
441301	Isotope_Atom_Count	0
90936519	XLogP3-AA	7.5
439176	Non-hydrogen_Atom_Count	20
66319	Rotatable_Bond_Count	1
22269415	Exact_Mass	99.068413911
78612	TPSA	0
21943184	Molecular_Weight	101.06
227260	Tautomer_Count	5
15267570	Hydrogen_Bond_Acceptor_Count	4
53683774	Non-hydrogen_Atom_Count	8
69132	Non-hydrogen_Atom_Count	11
130124661	Structure_Complexity	79.3
36606	Total_Formal_Charge	0
94811	Defined_Atom_Stereo_Count	0
123159	Defined_Atom_Stereo_Count	0
41536	Hydrogen_Bond_Acceptor_Count	4
11556910	Rotatable_Bond_Count	5
14235	Undefined_Bond_Stereo_Count	0
81629	Molecular_Weight	200.32
66545764	Undefined_Atom_Stereo_Count	0
336423	Molecular_Weight	386.5
6871	Non-hydrogen_Atom_Count	15
71072118	Mono_Isotopic_Weight	508.1695764
20307232	Structure_Complexity	186
14926954	TPSA	83.6
3034372	Tautomer_Count	1
70234	Non-hydrogen_Atom_Count	7
54746	Rotatable_Bond_Count	8
5311052	Non-hydrogen_Atom_Count	28
6636	XLogP3	3.7
95475	Mono_Isotopic_Weight	171.125928785
40703	Hydrogen_Bond_Donor_Count	0
431668	Exact_Mass	307.0975211
101925	Hydrogen_Bond_Donor_Count	2
3164136	Non-hydrogen_Atom_Count	10
91065259	Rotatable_Bond_Count	0
60196373	Covalent_Unit_Count	2
49866505	Total_Formal_Charge	0
17190	Defined_Bond_Stereo_Count	0
413520	Hydrogen_Bond_Donor_Count	0
90859735	Defined_Atom_Stereo_Count	0
28343	Undefined_Bond_Stereo_Count	0
151039	Hydrogen_Bond_Acceptor_Count	1
135410907	Rotatable_Bond_Count	2
101574147	Undefined_Atom_Stereo_Count	0
4344	Structure_Complexity	53.7
65429	Hydrogen_Bond_Acceptor_Count	7
330	Undefined_Bond_Stereo_Count	0
91223	Tautomer_Count	1
759	Undefined_Atom_Stereo_Count	21
44358318	Molecular_Weight	450.4
69240	Covalent_Unit_Count	1
8316	Mono_Isotopic_Weight	239.02522894
4983738	Defined_Atom_Stereo_Count	0
6919055	Non-hydrogen_Atom_Count	21
15741339	Covalent_Unit_Count	1
49858375	Total_Formal_Charge	0
3107	Exact_Mass	341.23145648
207	Isotope_Atom_Count	0
13413802	Hydrogen_Bond_Acceptor_Count	2
636750	Tautomer_Count	1
135418296	Rotatable_Bond_Count	0
16090272	XLogP3-AA	4.4
12244237	Mono_Isotopic_Weight	77.97755048
11593431	Mono_Isotopic_Weight	88.052429494
10424358	Isotope_Atom_Count	0
133914	Rotatable_Bond_Count	27
14298876	Molecular_Weight	86.14
91857355	Non-hydrogen_Atom_Count	23
2792	TPSA	77.5
156766450	Isotope_Atom_Count	0
5355858	Mono_Isotopic_Weight	284.177630004
3813	Mono_Isotopic_Weight	467.14812078
56845452	Total_Formal_Charge	0
5311466	TPSA	65.5
15965	Covalent_Unit_Count	1
14523483	Mono_Isotopic_Weight	340.13444504
15378998	Undefined_Atom_Stereo_Count	0
11682175	Exact_Mass	369.13986477
85988	Hydrogen_Bond_Donor_Count	0
10098	Hydrogen_Bond_Donor_Count	2
140066067	Molecular_Weight	107.11
11789136	Isotope_Atom_Count	0
85786508	TPSA	20.2
32817	Total_Formal_Charge	0
84979	Defined_Atom_Stereo_Count	0
15383909	Defined_Atom_Stereo_Count	14
3034811	Structure_Complexity	2.8
10723	XLogP3-AA	1.8
140945	Total_Formal_Charge	0
53851	Exact_Mass	317.235479232
83390	Rotatable_Bond_Count	2
91742	Defined_Atom_Stereo_Count	0
521866	Mono_Isotopic_Weight	146.130679813
72712537	Defined_Bond_Stereo_Count	0
54610154	Structure_Complexity	1090
158980	Structure_Complexity	148
71335300	Hydrogen_Bond_Donor_Count	0
23663964	Mono_Isotopic_Weight	397.08902930
122164129	Rotatable_Bond_Count	2
117683867	Hydrogen_Bond_Donor_Count	11
667657	Defined_Bond_Stereo_Count	0
85939688	XLogP3	5.8
5284570	Hydrogen_Bond_Acceptor_Count	4
36299	Molecular_Weight	122.17
9915039	Undefined_Atom_Stereo_Count	0
12207123	Mono_Isotopic_Weight	71.073499291
5281888	Defined_Atom_Stereo_Count	0
2733224	Total_Formal_Charge	0
5090	Defined_Bond_Stereo_Count	0
246571	Exact_Mass	196.146329876
57054055	Hydrogen_Bond_Acceptor_Count	2
68321924	Covalent_Unit_Count	1
66576989	Undefined_Atom_Stereo_Count	0
92222	Non-hydrogen_Atom_Count	14
37144	Undefined_Bond_Stereo_Count	0
123133951	Covalent_Unit_Count	1
67016	Defined_Atom_Stereo_Count	0
38622	Hydrogen_Bond_Donor_Count	2
13333	Non-hydrogen_Atom_Count	26
21698764	Non-hydrogen_Atom_Count	8
65601	Total_Formal_Charge	0
107737	Isotope_Atom_Count	0
45358001	Defined_Bond_Stereo_Count	0
6657	Molecular_Weight	103.12
131966078	Defined_Bond_Stereo_Count	0
9929785	Hydrogen_Bond_Acceptor_Count	3
1459	Defined_Bond_Stereo_Count	0
201382	Undefined_Bond_Stereo_Count	0
57250923	Molecular_Weight	110.15
10297008	Mono_Isotopic_Weight	440.12667431
17739	Mono_Isotopic_Weight	166.099379685
1810	Structure_Complexity	386
498033	Covalent_Unit_Count	1
84421	Mono_Isotopic_Weight	751.0227958
5282546	Molecular_Weight	493.5
20689	Undefined_Bond_Stereo_Count	0
95228	Structure_Complexity	225
494148	Non-hydrogen_Atom_Count	39
107879	Structure_Complexity	206
130796	Non-hydrogen_Atom_Count	23
25195346	Defined_Bond_Stereo_Count	0
84647706	Mono_Isotopic_Weight	114.068079557
5362487	Rotatable_Bond_Count	0
133057415	Defined_Bond_Stereo_Count	0
54568416	Isotope_Atom_Count	0
4496	Structure_Complexity	480
19068741	Rotatable_Bond_Count	1
9988	Covalent_Unit_Count	1
71584401	Rotatable_Bond_Count	8
89769286	Structure_Complexity	80.5
18542	Isotope_Atom_Count	0
352335	Non-hydrogen_Atom_Count	17
6536	TPSA	32.7
131885396	Defined_Atom_Stereo_Count	0
15658	Rotatable_Bond_Count	0
6992020	Hydrogen_Bond_Acceptor_Count	4
656892	Rotatable_Bond_Count	8
22094	Undefined_Atom_Stereo_Count	0
370	Covalent_Unit_Count	1
2779031	Defined_Bond_Stereo_Count	0
106	Structure_Complexity	186
45789889	Structure_Complexity	49.5
3729	Isotope_Atom_Count	0
16210995	Tautomer_Count	1
2723694	XLogP3-AA	4.2
283813	Structure_Complexity	109
66296	Tautomer_Count	6
182645	Hydrogen_Bond_Donor_Count	1
24194381	Defined_Bond_Stereo_Count	0
136450	Covalent_Unit_Count	1
14201285	Mono_Isotopic_Weight	118.062994177
129223	TPSA	67.8
16033	Hydrogen_Bond_Acceptor_Count	2
34751	Isotope_Atom_Count	0
71448903	Mono_Isotopic_Weight	851.17272513
13130885	Hydrogen_Bond_Donor_Count	0
44607530	Rotatable_Bond_Count	8
154825561	TPSA	206
124762103	Exact_Mass	342.11621151
16854	Tautomer_Count	3
8268	Defined_Atom_Stereo_Count	0
49849621	Non-hydrogen_Atom_Count	30
25058166	Undefined_Atom_Stereo_Count	0
136871	Defined_Atom_Stereo_Count	0
909750	Undefined_Atom_Stereo_Count	0
1801	XLogP3	0.8
13475825	Isotope_Atom_Count	0
20469	Defined_Bond_Stereo_Count	0
4624	Molecular_Weight	169.18
70686472	Hydrogen_Bond_Acceptor_Count	5
147513	Undefined_Atom_Stereo_Count	1
71225	Tautomer_Count	1
72076	Hydrogen_Bond_Acceptor_Count	4
138440	Rotatable_Bond_Count	2
135247704	Exact_Mass	115.063328530
3037456	TPSA	111
5488631	Tautomer_Count	3
3526	XLogP3-AA	1.7
8658	Mono_Isotopic_Weight	136.052429494
5169496	Non-hydrogen_Atom_Count	11
6603836	Structure_Complexity	492
12020	Tautomer_Count	1
57340472	Undefined_Bond_Stereo_Count	0
18339712	XLogP3-AA	0.3
9823180	Defined_Bond_Stereo_Count	1
4764	Defined_Atom_Stereo_Count	0
54575456	TPSA	167
137326482	Total_Formal_Charge	0
1519	Defined_Atom_Stereo_Count	0
93577	Undefined_Bond_Stereo_Count	0
70789202	Undefined_Bond_Stereo_Count	0
12226	Structure_Complexity	38.5
21496049	TPSA	26.3
9556	Defined_Bond_Stereo_Count	0
140203	TPSA	44.2
76840	Isotope_Atom_Count	0
413544	Hydrogen_Bond_Donor_Count	0
21945	Molecular_Weight	319.36
6063	Molecular_Weight	479.0
27826	Exact_Mass	129.090211983
53942816	Molecular_Weight	114.06
84776	Tautomer_Count	1
5284557	Hydrogen_Bond_Acceptor_Count	2
637794	Covalent_Unit_Count	1
70698172	Structure_Complexity	499
223407	Isotope_Atom_Count	0
558148	Non-hydrogen_Atom_Count	7
21323	Tautomer_Count	3
14494973	Hydrogen_Bond_Donor_Count	0
58937356	Structure_Complexity	134
625	Defined_Bond_Stereo_Count	0
89178	Defined_Bond_Stereo_Count	0
423375	Molecular_Weight	171.27
16760467	Hydrogen_Bond_Donor_Count	5
115087054	Total_Formal_Charge	0
11476467	TPSA	122
87501539	Non-hydrogen_Atom_Count	8
706326	Tautomer_Count	2
9804496	Structure_Complexity	561
136837	XLogP3-AA	0.2
194674	Hydrogen_Bond_Acceptor_Count	4
65790	Mono_Isotopic_Weight	297.10347926
76989	Covalent_Unit_Count	1
96227	Non-hydrogen_Atom_Count	16
80660	TPSA	9.2
54066	Mono_Isotopic_Weight	250.168127949
108157	Tautomer_Count	1
155971023	Undefined_Bond_Stereo_Count	0
44392244	Molecular_Weight	455.6
11789033	Rotatable_Bond_Count	4
132327702	Undefined_Bond_Stereo_Count	0
6476333	Tautomer_Count	288
3033690	Undefined_Atom_Stereo_Count	0
5311504	TPSA	54.4
67938294	Hydrogen_Bond_Acceptor_Count	2
121494085	Structure_Complexity	2420
5364448	Defined_Bond_Stereo_Count	1
145188444	TPSA	55.4
35970	Undefined_Atom_Stereo_Count	0
88336	Hydrogen_Bond_Donor_Count	1
25380	Undefined_Bond_Stereo_Count	0
176265	Mono_Isotopic_Weight	263.17077098
59768	Isotope_Atom_Count	0
5311010	Structure_Complexity	1770
45934626	Rotatable_Bond_Count	2
5600	Rotatable_Bond_Count	26
680502	Non-hydrogen_Atom_Count	25
5281120	Total_Formal_Charge	0
150762	Structure_Complexity	1090
6436063	Exact_Mass	366.361014095
1544	Rotatable_Bond_Count	22
45095	Exact_Mass	333.0534634
701542	Undefined_Atom_Stereo_Count	0
399594	Hydrogen_Bond_Donor_Count	1
46899922	Undefined_Atom_Stereo_Count	0
28429	Structure_Complexity	98.3
71731823	Defined_Bond_Stereo_Count	0
46184986	Defined_Bond_Stereo_Count	0
13009	Hydrogen_Bond_Acceptor_Count	2
445785	Undefined_Bond_Stereo_Count	0
6337	Total_Formal_Charge	0
8857	XLogP3	0.7
26470523	Rotatable_Bond_Count	4
4366885	Defined_Atom_Stereo_Count	0
88342387	Non-hydrogen_Atom_Count	8
167693	Molecular_Weight	114.22
25133630	Total_Formal_Charge	0
11815279	Molecular_Weight	80.13
91532137	Defined_Bond_Stereo_Count	0
57358493	Tautomer_Count	36
23581946	Isotope_Atom_Count	0
8128	Hydrogen_Bond_Donor_Count	0
5359563	Rotatable_Bond_Count	3
384	Total_Formal_Charge	0
59557732	Isotope_Atom_Count	0
14681325	Undefined_Atom_Stereo_Count	1
24238	Undefined_Atom_Stereo_Count	1
277694	Exact_Mass	500.016289
67375395	Covalent_Unit_Count	1
91471800	Undefined_Atom_Stereo_Count	0
8351	Covalent_Unit_Count	1
70682212	Rotatable_Bond_Count	4
24186254	Undefined_Atom_Stereo_Count	0
75588	Undefined_Bond_Stereo_Count	0
657381	Total_Formal_Charge	0
45357394	Undefined_Bond_Stereo_Count	0
13186	Non-hydrogen_Atom_Count	8
137699570	Defined_Bond_Stereo_Count	5
123716071	Undefined_Atom_Stereo_Count	0
32940	XLogP3-AA	1.3
7357	Isotope_Atom_Count	0
135413505	Hydrogen_Bond_Acceptor_Count	8
72187524	Defined_Atom_Stereo_Count	0
3036	Undefined_Atom_Stereo_Count	0
105426944	Defined_Bond_Stereo_Count	0
136115428	Non-hydrogen_Atom_Count	8
950	Mono_Isotopic_Weight	137.084063974
6440877	Exact_Mass	220.07355886
12375133	Non-hydrogen_Atom_Count	8
1094	Tautomer_Count	1
5533	TPSA	42.4
26651	Hydrogen_Bond_Donor_Count	7
79577129	Non-hydrogen_Atom_Count	8
84945	Molecular_Weight	483.6189
177708	Non-hydrogen_Atom_Count	1
59999797	Defined_Atom_Stereo_Count	0
398678	Isotope_Atom_Count	0
10173	Mono_Isotopic_Weight	267.137162174
9519	XLogP3-AA	1.7
129870262	Rotatable_Bond_Count	0
4771	XLogP3	1.9
493949	Tautomer_Count	1
4774	XLogP3-AA	3.3
700861	Exact_Mass	224.10485899
44144474	Defined_Bond_Stereo_Count	1
5195	Total_Formal_Charge	0
71679	Exact_Mass	253.20149376
165506	Hydrogen_Bond_Donor_Count	1
129474	Hydrogen_Bond_Acceptor_Count	3
9502	Molecular_Weight	249.09
71451929	Covalent_Unit_Count	1
2097895	Hydrogen_Bond_Donor_Count	1
582708	Undefined_Atom_Stereo_Count	0
138753050	Total_Formal_Charge	0
2765	Hydrogen_Bond_Donor_Count	1
87071867	Undefined_Atom_Stereo_Count	3
5319022	Covalent_Unit_Count	1
713378	Defined_Atom_Stereo_Count	0
27775	Covalent_Unit_Count	1
165892084	Rotatable_Bond_Count	0
78747	Molecular_Weight	95.10
68157	Tautomer_Count	1
20903	XLogP3-AA	1.3
49296	Undefined_Bond_Stereo_Count	0
44126083	Molecular_Weight	391.5
409347	Non-hydrogen_Atom_Count	20
21430317	Rotatable_Bond_Count	0
75445	Non-hydrogen_Atom_Count	36
153884978	XLogP3-AA	0.8
354785	Structure_Complexity	310
53757199	Defined_Atom_Stereo_Count	0
29093	Covalent_Unit_Count	1
66774	Hydrogen_Bond_Acceptor_Count	3
44455234	Hydrogen_Bond_Donor_Count	4
28204	Hydrogen_Bond_Donor_Count	1
134754219	Hydrogen_Bond_Acceptor_Count	12
54586720	Rotatable_Bond_Count	5
53956489	Defined_Atom_Stereo_Count	0
13817	Defined_Atom_Stereo_Count	0
23268532	Hydrogen_Bond_Donor_Count	2
52660	Non-hydrogen_Atom_Count	25
3008319	XLogP3-AA	4.6
980	Covalent_Unit_Count	1
18713770	Hydrogen_Bond_Acceptor_Count	2
76141	XLogP3-AA	0.6
13095	Defined_Bond_Stereo_Count	0
135542158	Molecular_Weight	270.67
111509	Defined_Bond_Stereo_Count	0
10058531	Hydrogen_Bond_Donor_Count	2
11137	Hydrogen_Bond_Acceptor_Count	3
551174	Total_Formal_Charge	0
73830101	Structure_Complexity	94.6
20226563	Hydrogen_Bond_Acceptor_Count	3
77676	Molecular_Weight	136.17
128919	Structure_Complexity	541
10201497	Undefined_Atom_Stereo_Count	0
50129	Total_Formal_Charge	0
3034285	Structure_Complexity	646
11865438	Mono_Isotopic_Weight	342.11621151
11496886	Mono_Isotopic_Weight	492.95530
17964403	Defined_Atom_Stereo_Count	0
87035	Exact_Mass	192.126263138
135436538	Rotatable_Bond_Count	4
16436	Defined_Bond_Stereo_Count	0
5280448	Structure_Complexity	432
163284980	Total_Formal_Charge	0
3134	Total_Formal_Charge	0
67236438	Hydrogen_Bond_Donor_Count	3
43594	Structure_Complexity	999
101625661	Total_Formal_Charge	0
21914607	Defined_Atom_Stereo_Count	0
3035406	Covalent_Unit_Count	1
211	XLogP3-AA	0.6
5281040	Isotope_Atom_Count	0
59901542	Exact_Mass	19.0458011230
183	Hydrogen_Bond_Donor_Count	9
12642	Non-hydrogen_Atom_Count	6
24014	Undefined_Bond_Stereo_Count	0
13456556	Defined_Atom_Stereo_Count	0
8304	Undefined_Atom_Stereo_Count	0
5460056	Covalent_Unit_Count	1
20417	Molecular_Weight	115.13
6434144	Covalent_Unit_Count	2
66028	Defined_Bond_Stereo_Count	0
193214	Molecular_Weight	116.11
9962	Total_Formal_Charge	0
70683717	Undefined_Bond_Stereo_Count	0
69244	Molecular_Weight	97.16
52942848	Total_Formal_Charge	0
11604	Mono_Isotopic_Weight	81.057849228
497100	Hydrogen_Bond_Acceptor_Count	1
5080759	TPSA	27.7
1810216	Defined_Bond_Stereo_Count	0
44412	Rotatable_Bond_Count	1
161166	Isotope_Atom_Count	0
11320921	Defined_Atom_Stereo_Count	0
134694302	Exact_Mass	478.842666
35922	Mono_Isotopic_Weight	301.14780704
270840	Undefined_Bond_Stereo_Count	0
3783165	Non-hydrogen_Atom_Count	7
65719	Isotope_Atom_Count	0
698851	Total_Formal_Charge	0
451674	Rotatable_Bond_Count	4
963289	Mono_Isotopic_Weight	225.9967617
15420544	Covalent_Unit_Count	1
131320	Covalent_Unit_Count	1
32816	Defined_Atom_Stereo_Count	0
17884104	Defined_Bond_Stereo_Count	0
19606581	Total_Formal_Charge	0
91482	Hydrogen_Bond_Acceptor_Count	4
147304866	Undefined_Bond_Stereo_Count	0
24759	Hydrogen_Bond_Acceptor_Count	23
12598074	Structure_Complexity	270
22843	Defined_Atom_Stereo_Count	0
39681	Structure_Complexity	329
54479104	Isotope_Atom_Count	0
81080	Isotope_Atom_Count	0
2266	Exact_Mass	188.10485899
4570	Structure_Complexity	555
3315	Molecular_Weight	872.9
23151260	Covalent_Unit_Count	1
70783	Isotope_Atom_Count	0
82467716	Undefined_Bond_Stereo_Count	0
60702533	Undefined_Bond_Stereo_Count	0
12580	Structure_Complexity	82.7
5826113	Hydrogen_Bond_Acceptor_Count	4
134613	Non-hydrogen_Atom_Count	20
6515	Isotope_Atom_Count	0
139590517	Defined_Bond_Stereo_Count	0
57467561	Defined_Atom_Stereo_Count	0
15942852	Hydrogen_Bond_Acceptor_Count	3
4349	Molecular_Weight	467.6
11701	Non-hydrogen_Atom_Count	10
4228493	Undefined_Atom_Stereo_Count	0
24915	Isotope_Atom_Count	0
6999971	Undefined_Bond_Stereo_Count	0
1281	Isotope_Atom_Count	0
6855	Isotope_Atom_Count	0
135423792	Isotope_Atom_Count	0
588352	Undefined_Bond_Stereo_Count	0
903675	Undefined_Atom_Stereo_Count	0
54066875	TPSA	63.2
75240	Molecular_Weight	158.20
2734225	Molecular_Weight	258.83
9321	Hydrogen_Bond_Acceptor_Count	2
9307	Molecular_Weight	211.21
3035443	Exact_Mass	229.9762162
123868	Tautomer_Count	1
90996709	Rotatable_Bond_Count	1
30019	Mono_Isotopic_Weight	238.13174244
140905	Structure_Complexity	80.4
60196270	Undefined_Atom_Stereo_Count	0
264090	Total_Formal_Charge	0
13397	Undefined_Atom_Stereo_Count	0
1466	Undefined_Bond_Stereo_Count	0
44160137	Non-hydrogen_Atom_Count	27
146646427	Non-hydrogen_Atom_Count	8
69462056	Total_Formal_Charge	0
6918315	Isotope_Atom_Count	0
12114682	Defined_Atom_Stereo_Count	2
15951487	Covalent_Unit_Count	1
135402045	Non-hydrogen_Atom_Count	17
98148765	Isotope_Atom_Count	0
2967	Defined_Atom_Stereo_Count	0
11977	XLogP3-AA	0.6
12715	Mono_Isotopic_Weight	116.094963011
43366	Rotatable_Bond_Count	0
21791633	Defined_Bond_Stereo_Count	0
135424770	Isotope_Atom_Count	0
46830239	TPSA	71.6
67258371	Defined_Atom_Stereo_Count	0
92981	Hydrogen_Bond_Donor_Count	1
25102936	Molecular_Weight	426.5
65834	Isotope_Atom_Count	0
2734167	Non-hydrogen_Atom_Count	12
756	Hydrogen_Bond_Acceptor_Count	2
464036	Isotope_Atom_Count	0
5284648	XLogP3-AA	2.1
23914	Covalent_Unit_Count	1
7697	Structure_Complexity	135
135489810	Defined_Bond_Stereo_Count	0
79038	Tautomer_Count	2
13028028	Total_Formal_Charge	0
9898827	Covalent_Unit_Count	1
55840	TPSA	67.6
21868524	Isotope_Atom_Count	0
4092	Exact_Mass	160.133753817
9112	Undefined_Bond_Stereo_Count	0
54231313	Rotatable_Bond_Count	0
15817	Defined_Bond_Stereo_Count	0
11093	TPSA	0
6132	TPSA	222
409	Non-hydrogen_Atom_Count	13
3083444	TPSA	761
12511	Exact_Mass	112.052429494
138195	Non-hydrogen_Atom_Count	9
123832392	Hydrogen_Bond_Donor_Count	0
70276811	Defined_Atom_Stereo_Count	2
67528035	Defined_Atom_Stereo_Count	0
49050	Structure_Complexity	302
53839028	Non-hydrogen_Atom_Count	7
453618	Mono_Isotopic_Weight	776.23348565
65909	Covalent_Unit_Count	1
14207546	Non-hydrogen_Atom_Count	8
44560807	Defined_Atom_Stereo_Count	0
119057560	Isotope_Atom_Count	4
10982	Molecular_Weight	129.24
33786	Undefined_Atom_Stereo_Count	0
6266	Undefined_Atom_Stereo_Count	2
9816506	Exact_Mass	255.11201006
45266908	Isotope_Atom_Count	0
163	Mono_Isotopic_Weight	909.17820443
53480934	Hydrogen_Bond_Acceptor_Count	8
17736	Undefined_Atom_Stereo_Count	0
135410344	Non-hydrogen_Atom_Count	20
16132446	Defined_Atom_Stereo_Count	41
2284259	TPSA	54.4
25138298	Hydrogen_Bond_Donor_Count	18
87503479	Non-hydrogen_Atom_Count	9
60714	Defined_Atom_Stereo_Count	0
2650	Exact_Mass	546.09913941
520383	Hydrogen_Bond_Donor_Count	0
29216	Structure_Complexity	249
119084740	Isotope_Atom_Count	0
57856017	Exact_Mass	111.068413911
57461922	Undefined_Bond_Stereo_Count	0
5879967	Isotope_Atom_Count	0
41505	Covalent_Unit_Count	1
41114	Exact_Mass	515.1823134
71880	TPSA	181
6919101	Exact_Mass	101.060254526
99129	Hydrogen_Bond_Donor_Count	0
22273548	XLogP3-AA	0.8
12701621	TPSA	58.6
44590515	Undefined_Bond_Stereo_Count	0
53805787	Undefined_Bond_Stereo_Count	0
59432048	TPSA	55.8
14643618	Undefined_Atom_Stereo_Count	2
11969480	Hydrogen_Bond_Acceptor_Count	5
118984445	Rotatable_Bond_Count	182
8063338	Tautomer_Count	1
6918191	Mono_Isotopic_Weight	324.0890221
522606	Undefined_Atom_Stereo_Count	0
58664	Molecular_Weight	319.74
192197	Isotope_Atom_Count	0
52950127	TPSA	67.9
9852904	Non-hydrogen_Atom_Count	47
105426937	Hydrogen_Bond_Acceptor_Count	2
10909502	Total_Formal_Charge	0
94294	Defined_Atom_Stereo_Count	0
8475	Undefined_Bond_Stereo_Count	0
62823	Exact_Mass	175.12084340
19861	Tautomer_Count	1
1745	Structure_Complexity	57.7
20912	Structure_Complexity	93.8
3388301	Defined_Bond_Stereo_Count	0
11831	Total_Formal_Charge	0
92146	Undefined_Bond_Stereo_Count	0
4573	Non-hydrogen_Atom_Count	14
71245288	Molecular_Weight	445.5
135326	Hydrogen_Bond_Donor_Count	2
23427989	XLogP3-AA	9.1
5280804	TPSA	207
656838	Hydrogen_Bond_Donor_Count	5
138673	Rotatable_Bond_Count	3
274080	Hydrogen_Bond_Donor_Count	4
9160	Exact_Mass	267.104799419
136893	Covalent_Unit_Count	1
53981464	Undefined_Bond_Stereo_Count	0
13044596	Defined_Atom_Stereo_Count	0
5311211	Hydrogen_Bond_Acceptor_Count	3
3082754	Isotope_Atom_Count	0
11571906	Undefined_Atom_Stereo_Count	1
4895	Total_Formal_Charge	0
16217852	Isotope_Atom_Count	0
12759	Total_Formal_Charge	0
88703	Defined_Bond_Stereo_Count	0
135472943	Undefined_Atom_Stereo_Count	0
5715107	Molecular_Weight	186.21
573598	Total_Formal_Charge	0
177323	Rotatable_Bond_Count	6
71486	Undefined_Atom_Stereo_Count	1
82336	Hydrogen_Bond_Donor_Count	0
1494	Defined_Bond_Stereo_Count	0
3033673	Hydrogen_Bond_Donor_Count	2
16664362	Covalent_Unit_Count	1
34001	Mono_Isotopic_Weight	341.1393859
6918078	Mono_Isotopic_Weight	400.18456586
319954	Non-hydrogen_Atom_Count	11
5934	Undefined_Bond_Stereo_Count	0
29249	Isotope_Atom_Count	0
65535	Mono_Isotopic_Weight	298.15036988
253298	Undefined_Atom_Stereo_Count	1
101255680	Hydrogen_Bond_Acceptor_Count	5
86510	Undefined_Atom_Stereo_Count	1
44359653	Defined_Atom_Stereo_Count	9
34260	XLogP3-AA	6.9
37825	Structure_Complexity	441
39418872	Hydrogen_Bond_Donor_Count	2
253762	XLogP3-AA	0.3
20753138	Hydrogen_Bond_Donor_Count	0
182585	Non-hydrogen_Atom_Count	28
12820526	Hydrogen_Bond_Acceptor_Count	1
252139	Undefined_Bond_Stereo_Count	0
279506	Exact_Mass	104.047344113
1548953	Covalent_Unit_Count	1
57387	TPSA	74.8
89064108	Mono_Isotopic_Weight	101.084063974
19349372	Rotatable_Bond_Count	1
12957	XLogP3-AA	0.5
44338773	XLogP3-AA	3.1
14549436	Mono_Isotopic_Weight	402.03756727
121323963	Exact_Mass	112.052429494
92838	Defined_Bond_Stereo_Count	0
3316562	Molecular_Weight	279.8
160801313	Molecular_Weight	112.13
53394010	Covalent_Unit_Count	1
20560	Hydrogen_Bond_Donor_Count	1
12888	Undefined_Bond_Stereo_Count	0
639662	Tautomer_Count	1
427786	Defined_Bond_Stereo_Count	0
122214804	Undefined_Bond_Stereo_Count	0
5357479	Hydrogen_Bond_Donor_Count	1
3911	Covalent_Unit_Count	1
76080	Total_Formal_Charge	0
9825070	Hydrogen_Bond_Acceptor_Count	7
76589	Defined_Atom_Stereo_Count	0
24871329	Structure_Complexity	533
11719003	Hydrogen_Bond_Acceptor_Count	4
5045307	Non-hydrogen_Atom_Count	40
11607904	XLogP3-AA	0
123337109	Total_Formal_Charge	0
56973549	Structure_Complexity	422
4132	Undefined_Atom_Stereo_Count	5
26248	Non-hydrogen_Atom_Count	27
69332716	Hydrogen_Bond_Acceptor_Count	3
5209985	Rotatable_Bond_Count	4
112711232	Hydrogen_Bond_Donor_Count	2
23675258	Covalent_Unit_Count	2
12656387	Rotatable_Bond_Count	0
32014	Hydrogen_Bond_Acceptor_Count	10
92301	Exact_Mass	152.120115130
72325	Undefined_Bond_Stereo_Count	0
2120	Hydrogen_Bond_Donor_Count	1
22833502	Total_Formal_Charge	0
11991	Covalent_Unit_Count	1
54690031	Hydrogen_Bond_Acceptor_Count	7
23899	Hydrogen_Bond_Donor_Count	0
138195	Total_Formal_Charge	0
14690973	Hydrogen_Bond_Acceptor_Count	2
140153	Rotatable_Bond_Count	0
441757	Rotatable_Bond_Count	2
21684469	Defined_Atom_Stereo_Count	0
441404	Molecular_Weight	412.6
11428	Rotatable_Bond_Count	2
7098630	Mono_Isotopic_Weight	342.11621151
85769	Total_Formal_Charge	0
93011	Rotatable_Bond_Count	2
17806836	Covalent_Unit_Count	1
5284551	Isotope_Atom_Count	0
8401	Exact_Mass	218.0498427
656958	Structure_Complexity	770
258618	Hydrogen_Bond_Acceptor_Count	1
1792	TPSA	66
218089	Defined_Atom_Stereo_Count	0
22624677	Defined_Atom_Stereo_Count	0
11545464	Undefined_Atom_Stereo_Count	0
25015691	Molecular_Weight	504.6
5388925	Mono_Isotopic_Weight	1089.66133797
61007	Undefined_Atom_Stereo_Count	0
17913	Rotatable_Bond_Count	0
587348	Isotope_Atom_Count	0
6438149	Rotatable_Bond_Count	12
100489	Mono_Isotopic_Weight	240.06472551
45266742	Mono_Isotopic_Weight	258.03787837
31255	Total_Formal_Charge	0
71587953	Tautomer_Count	6
135398638	Molecular_Weight	136.11
58318269	Structure_Complexity	415
5367650	Total_Formal_Charge	0
398578	Undefined_Atom_Stereo_Count	0
142883	Hydrogen_Bond_Donor_Count	0
11105495	Rotatable_Bond_Count	2
59830609	XLogP3-AA	4.4
94671	Undefined_Atom_Stereo_Count	0
72258	Undefined_Bond_Stereo_Count	0
54736486	Exact_Mass	310.12050905
11616111	TPSA	99
5365332	Undefined_Bond_Stereo_Count	0
23599753	Molecular_Weight	100.12
153643637	Undefined_Atom_Stereo_Count	0
54758035	Molecular_Weight	490.6
12933763	Exact_Mass	110.073164938
19867655	Defined_Atom_Stereo_Count	0
3080653	Undefined_Atom_Stereo_Count	0
52945780	Hydrogen_Bond_Donor_Count	3
144512943	Exact_Mass	100.063662883
9886	Molecular_Weight	144.9641810
25875	Undefined_Bond_Stereo_Count	0
161500	Covalent_Unit_Count	1
83679654	Hydrogen_Bond_Donor_Count	1
3033985	Total_Formal_Charge	0
260496	Undefined_Bond_Stereo_Count	0
51371732	Hydrogen_Bond_Acceptor_Count	5
82536	Structure_Complexity	106
6604413	Mono_Isotopic_Weight	337.24393591
71743842	Undefined_Atom_Stereo_Count	1
11030720	Defined_Atom_Stereo_Count	2
452126	Hydrogen_Bond_Acceptor_Count	9
15145	Mono_Isotopic_Weight	84.057514874
98044588	Defined_Bond_Stereo_Count	0
89314354	Undefined_Bond_Stereo_Count	0
20623561	Covalent_Unit_Count	1
12563868	Mono_Isotopic_Weight	114.068079557
12476687	Hydrogen_Bond_Donor_Count	0
95182	Structure_Complexity	519
430323	Mono_Isotopic_Weight	289.204179104
15356533	Defined_Bond_Stereo_Count	0
5029	Mono_Isotopic_Weight	359.13036271
58186	Hydrogen_Bond_Acceptor_Count	4
13694815	Isotope_Atom_Count	0
12389638	Hydrogen_Bond_Acceptor_Count	0
17963208	Non-hydrogen_Atom_Count	34
638144	Defined_Bond_Stereo_Count	1
12355883	Hydrogen_Bond_Acceptor_Count	8
18710462	Molecular_Weight	112.21
19778718	Mono_Isotopic_Weight	112.052429494
7466	Hydrogen_Bond_Acceptor_Count	1
163872484	Hydrogen_Bond_Donor_Count	5
16767478	TPSA	37.8
92211533	Non-hydrogen_Atom_Count	25
114911	Undefined_Bond_Stereo_Count	0
9839519	Undefined_Atom_Stereo_Count	0
442460	Defined_Atom_Stereo_Count	1
71734	Undefined_Bond_Stereo_Count	0
141028526	Undefined_Bond_Stereo_Count	0
134735	XLogP3	2.1
91755	Defined_Atom_Stereo_Count	0
28499	Rotatable_Bond_Count	8
994360	Hydrogen_Bond_Donor_Count	1
58079819	Undefined_Bond_Stereo_Count	0
57121306	Mono_Isotopic_Weight	100.052429494
57255046	Total_Formal_Charge	0
11675152	Exact_Mass	372.19501140
27690	Undefined_Bond_Stereo_Count	0
446210	Hydrogen_Bond_Acceptor_Count	17
79642	Exact_Mass	231.0509649
102175	Hydrogen_Bond_Donor_Count	4
13426660	Hydrogen_Bond_Acceptor_Count	0
5491665	Mono_Isotopic_Weight	531.1560986
12059	XLogP3	2.7
99681	Rotatable_Bond_Count	2
12285889	TPSA	110
87279497	Hydrogen_Bond_Donor_Count	4
2466	Total_Formal_Charge	0
5360349	Non-hydrogen_Atom_Count	11
6451143	Non-hydrogen_Atom_Count	13
79059	Defined_Bond_Stereo_Count	0
89249149	Undefined_Bond_Stereo_Count	0
72165	Exact_Mass	284.152477885
54305717	Undefined_Bond_Stereo_Count	0
441300	Hydrogen_Bond_Donor_Count	3
7059596	Undefined_Atom_Stereo_Count	0
41332	Hydrogen_Bond_Acceptor_Count	3
118701038	Rotatable_Bond_Count	0
7236	Hydrogen_Bond_Acceptor_Count	0
65028	Rotatable_Bond_Count	8
76513	TPSA	55.8
2734054	Defined_Atom_Stereo_Count	1
140552347	Exact_Mass	111.043261792
8969	Undefined_Atom_Stereo_Count	0
16666	Covalent_Unit_Count	1
5324168	Structure_Complexity	63.1
9980241	Defined_Bond_Stereo_Count	0
22061818	TPSA	52.9
77084	Defined_Atom_Stereo_Count	0
25015411	Total_Formal_Charge	0
44563066	Covalent_Unit_Count	1
3081884	Defined_Atom_Stereo_Count	4
9501	Defined_Atom_Stereo_Count	0
95162414	Structure_Complexity	382
10964417	Total_Formal_Charge	0
164695	Rotatable_Bond_Count	2
87517	Isotope_Atom_Count	0
17841655	Defined_Bond_Stereo_Count	0
285897	Isotope_Atom_Count	0
32675	Undefined_Atom_Stereo_Count	0
119082413	Non-hydrogen_Atom_Count	8
6450551	Non-hydrogen_Atom_Count	28
12608294	Hydrogen_Bond_Donor_Count	1
51504	TPSA	68.9
23677979	Molecular_Weight	208.21
16308	Structure_Complexity	145
17048	Hydrogen_Bond_Donor_Count	0
15981397	Hydrogen_Bond_Donor_Count	1
5312798	Structure_Complexity	134
139348436	Structure_Complexity	103
16122643	Exact_Mass	333.0628670
9993	Isotope_Atom_Count	0
7386	Non-hydrogen_Atom_Count	13
147684232	Defined_Atom_Stereo_Count	0
3731	Exact_Mass	776.8541
1609	Isotope_Atom_Count	0
554980	Total_Formal_Charge	0
2723853	Defined_Atom_Stereo_Count	0
24198694	Non-hydrogen_Atom_Count	28
134812007	Rotatable_Bond_Count	1
22378	Defined_Atom_Stereo_Count	0
82326	Undefined_Bond_Stereo_Count	0
5256740	Undefined_Atom_Stereo_Count	0
454216	Defined_Atom_Stereo_Count	6
23279022	Structure_Complexity	50
7568485	Total_Formal_Charge	0
22836365	Covalent_Unit_Count	1
13466096	Defined_Atom_Stereo_Count	0
41515	Hydrogen_Bond_Acceptor_Count	0
7048707	Hydrogen_Bond_Acceptor_Count	2
84463	Rotatable_Bond_Count	6
61103	Tautomer_Count	1
6093	Undefined_Atom_Stereo_Count	0
57704514	Defined_Bond_Stereo_Count	0
197740	Total_Formal_Charge	0
130285	TPSA	42
90829381	Mono_Isotopic_Weight	665.30474055
76118878	Defined_Bond_Stereo_Count	0
484651	Structure_Complexity	2070
12851498	Hydrogen_Bond_Acceptor_Count	6
53671850	Total_Formal_Charge	0
155290	Covalent_Unit_Count	2
7854	Hydrogen_Bond_Acceptor_Count	1
231934	Total_Formal_Charge	0
90208	Covalent_Unit_Count	1
147630	TPSA	24.1
6456015	Covalent_Unit_Count	2
44348524	Hydrogen_Bond_Acceptor_Count	3
540335	Rotatable_Bond_Count	3
5327073	Rotatable_Bond_Count	11
96379	Isotope_Atom_Count	0
10796718	Exact_Mass	112.052429494
556305	Covalent_Unit_Count	1
126503	TPSA	110
30844	XLogP3-AA	3.1
139244568	Structure_Complexity	546
97389	Hydrogen_Bond_Acceptor_Count	3
71158	Defined_Atom_Stereo_Count	0
6527	TPSA	44.8
6035	Undefined_Bond_Stereo_Count	0
20677	TPSA	0
91100506	Non-hydrogen_Atom_Count	7
136477	Molecular_Weight	139.24
49985	Tautomer_Count	1
13639661	Hydrogen_Bond_Donor_Count	1
36023	Tautomer_Count	1
58472094	Isotope_Atom_Count	0
77515	Undefined_Atom_Stereo_Count	0
84106835	Rotatable_Bond_Count	0
6433091	Hydrogen_Bond_Donor_Count	1
10389239	Undefined_Atom_Stereo_Count	0
5288598	Mono_Isotopic_Weight	238.09535693
135398687	Covalent_Unit_Count	1
133083907	TPSA	70
72665	Tautomer_Count	23
6967	Mono_Isotopic_Weight	287.00344812
100016	Molecular_Weight	228.20
14067296	Rotatable_Bond_Count	2
59867303	Exact_Mass	112.063662883
6477182	Molecular_Weight	396.4
91397067	Undefined_Atom_Stereo_Count	3
186114	Undefined_Bond_Stereo_Count	0
16431	Total_Formal_Charge	0
5610	Defined_Atom_Stereo_Count	0
3014295	TPSA	56.7
180098	Tautomer_Count	18
19928681	Hydrogen_Bond_Acceptor_Count	3
923480	Undefined_Atom_Stereo_Count	0
6983	Non-hydrogen_Atom_Count	12
3001662	Non-hydrogen_Atom_Count	30
7048	Undefined_Bond_Stereo_Count	0
55284178	Hydrogen_Bond_Acceptor_Count	4
98051216	Isotope_Atom_Count	0
24867454	Mono_Isotopic_Weight	649.7822
24693	Hydrogen_Bond_Donor_Count	3
146993530	Undefined_Atom_Stereo_Count	3
138397	Undefined_Atom_Stereo_Count	0
529341	Total_Formal_Charge	0
5889665	Isotope_Atom_Count	0
448400	Undefined_Atom_Stereo_Count	0
439183	Defined_Bond_Stereo_Count	0
45738	Hydrogen_Bond_Donor_Count	0
2042	Undefined_Atom_Stereo_Count	0
22603659	Undefined_Bond_Stereo_Count	0
9624	Exact_Mass	179.85445
55263	Hydrogen_Bond_Acceptor_Count	3
596805	Undefined_Bond_Stereo_Count	0
540987	Defined_Bond_Stereo_Count	0
23194	Hydrogen_Bond_Donor_Count	0
580	Structure_Complexity	643
5282548	Hydrogen_Bond_Donor_Count	0
12747	Undefined_Bond_Stereo_Count	0
52949373	Hydrogen_Bond_Acceptor_Count	8
12477	Isotope_Atom_Count	0
17549	Non-hydrogen_Atom_Count	16
69318	Hydrogen_Bond_Acceptor_Count	2
9954082	Defined_Bond_Stereo_Count	0
2799	Hydrogen_Bond_Donor_Count	1
128605	Isotope_Atom_Count	0
24838	Rotatable_Bond_Count	8
74190	Hydrogen_Bond_Acceptor_Count	4
4883	Isotope_Atom_Count	0
643985	Defined_Bond_Stereo_Count	0
53768737	Undefined_Atom_Stereo_Count	0
112030	Undefined_Atom_Stereo_Count	1
60156	Molecular_Weight	303.8
129729130	Covalent_Unit_Count	1
12385939	Structure_Complexity	111
8730	Tautomer_Count	2
9949821	Isotope_Atom_Count	0
72871	Defined_Atom_Stereo_Count	0
91881846	Undefined_Atom_Stereo_Count	0
11715166	Defined_Atom_Stereo_Count	0
260496	Exact_Mass	113.084063974
9949641	Rotatable_Bond_Count	3
452977	Defined_Atom_Stereo_Count	5
12265	Covalent_Unit_Count	1
62669683	Undefined_Atom_Stereo_Count	0
55290327	Mono_Isotopic_Weight	87.068413911
4054588	Hydrogen_Bond_Acceptor_Count	2
46240	TPSA	41.9
126667515	Mono_Isotopic_Weight	100.100048391
16669	Structure_Complexity	94.7
2734941	Defined_Atom_Stereo_Count	0
519539	Exact_Mass	141.06122053
197926	TPSA	12
23690938	Isotope_Atom_Count	0
22227528	Defined_Atom_Stereo_Count	0
11598	Tautomer_Count	1
12597	Covalent_Unit_Count	1
2163	Undefined_Bond_Stereo_Count	0
54675768	Covalent_Unit_Count	1
3032572	Defined_Atom_Stereo_Count	0
23958	Defined_Bond_Stereo_Count	0
35912	Isotope_Atom_Count	0
12266	Non-hydrogen_Atom_Count	7
67448671	Defined_Bond_Stereo_Count	1
4454009	Molecular_Weight	448.5
86210	TPSA	50.9
71583377	Hydrogen_Bond_Acceptor_Count	6
16218742	Total_Formal_Charge	0
61672	Defined_Atom_Stereo_Count	0
17572266	Undefined_Bond_Stereo_Count	0
2219	Covalent_Unit_Count	1
60663	Tautomer_Count	2
4644996	Exact_Mass	106.98029013
91568849	XLogP3-AA	0.8
9984488	Rotatable_Bond_Count	4
15461361	TPSA	26.3
441145	Covalent_Unit_Count	1
45356876	Total_Formal_Charge	0
85742	Non-hydrogen_Atom_Count	32
11286453	Non-hydrogen_Atom_Count	8
6507267	Total_Formal_Charge	0
23685289	Isotope_Atom_Count	0
117717939	Rotatable_Bond_Count	4
59295994	Undefined_Bond_Stereo_Count	0
10079	Molecular_Weight	467.0
156963344	Hydrogen_Bond_Acceptor_Count	6
16755636	Exact_Mass	63.998055901
161729	Hydrogen_Bond_Acceptor_Count	4
15065	Total_Formal_Charge	0
1524	Defined_Atom_Stereo_Count	0
92386	Undefined_Atom_Stereo_Count	0
93504	Total_Formal_Charge	0
16204922	Structure_Complexity	508
4439	Mono_Isotopic_Weight	750.49181304
69318	TPSA	35.8
749824	Defined_Atom_Stereo_Count	0
18760539	Structure_Complexity	50
4357	Covalent_Unit_Count	1
87934	Hydrogen_Bond_Donor_Count	0
123668737	TPSA	58.3
156617950	Defined_Atom_Stereo_Count	10
131801164	Molecular_Weight	453.6
21724548	Structure_Complexity	645
10930781	Mono_Isotopic_Weight	790.22615588
2433	Hydrogen_Bond_Acceptor_Count	14
53302268	XLogP3-AA	0
4122	Covalent_Unit_Count	1
89162	Non-hydrogen_Atom_Count	16
11657	TPSA	0
65790	Rotatable_Bond_Count	4
5494414	Structure_Complexity	454
12266	Exact_Mass	96.057514874
9889200	Undefined_Bond_Stereo_Count	0
9874874	Mono_Isotopic_Weight	697.38259695
62738	Isotope_Atom_Count	0
314	Structure_Complexity	531
57972066	TPSA	190
213020	Undefined_Atom_Stereo_Count	0
5359624	XLogP3	6.1
18377249	Defined_Atom_Stereo_Count	0
14262	Rotatable_Bond_Count	0
6419964	Hydrogen_Bond_Donor_Count	1
137321858	Defined_Bond_Stereo_Count	0
66755	Undefined_Bond_Stereo_Count	0
10931404	Hydrogen_Bond_Acceptor_Count	2
11966162	Molecular_Weight	907.7
254454	Covalent_Unit_Count	1
89310012	Total_Formal_Charge	0
73755261	Undefined_Atom_Stereo_Count	1
151177	Mono_Isotopic_Weight	404.25627424
92292	Defined_Bond_Stereo_Count	0
4761	Total_Formal_Charge	0
24182786	Non-hydrogen_Atom_Count	23
8882	Defined_Atom_Stereo_Count	0
11297955	Undefined_Atom_Stereo_Count	1
84586	Hydrogen_Bond_Acceptor_Count	3
12512	Defined_Bond_Stereo_Count	0
13849	Total_Formal_Charge	0
10048103	Mono_Isotopic_Weight	426.16785316
9804219	Structure_Complexity	672
53796209	Hydrogen_Bond_Acceptor_Count	2
21255491	Molecular_Weight	108.18
12757	Total_Formal_Charge	0
9965	Hydrogen_Bond_Acceptor_Count	3
68975085	Defined_Atom_Stereo_Count	0
62827	Mono_Isotopic_Weight	495.3874489
11344909	Isotope_Atom_Count	0
19908673	Non-hydrogen_Atom_Count	8
168928	Molecular_Weight	456.7
59295982	Isotope_Atom_Count	0
75747	Hydrogen_Bond_Donor_Count	1
181976	Isotope_Atom_Count	0
7435	Undefined_Atom_Stereo_Count	0
12307804	Defined_Bond_Stereo_Count	0
1348	Undefined_Atom_Stereo_Count	0
17763680	Hydrogen_Bond_Donor_Count	2
9141	Total_Formal_Charge	0
11658353	Non-hydrogen_Atom_Count	12
77222	Defined_Atom_Stereo_Count	0
16726085	Total_Formal_Charge	0
11249342	Molecular_Weight	337.4
650625	Mono_Isotopic_Weight	268.06480570
2562	Isotope_Atom_Count	0
119205	Mono_Isotopic_Weight	358.14163842
95496	Exact_Mass	195.02014356
78962	Hydrogen_Bond_Acceptor_Count	0
19423737	Isotope_Atom_Count	0
74685	Covalent_Unit_Count	1
91756	Molecular_Weight	410.4
36299	Defined_Bond_Stereo_Count	0
107214	TPSA	35.5
10912274	Mono_Isotopic_Weight	260.00481
91861230	Undefined_Bond_Stereo_Count	0
81225	TPSA	150
56666341	Total_Formal_Charge	0
52950190	Covalent_Unit_Count	1
702695	Structure_Complexity	244
18376592	Defined_Bond_Stereo_Count	0
36933	TPSA	24.9
15825450	Molecular_Weight	98.14
7015191	Covalent_Unit_Count	1
97736001	Defined_Bond_Stereo_Count	0
558102	Non-hydrogen_Atom_Count	7
102494937	Mono_Isotopic_Weight	344.12598835
191014	Exact_Mass	282.13280507
57404062	Non-hydrogen_Atom_Count	44
2224	Covalent_Unit_Count	1
69299	Undefined_Bond_Stereo_Count	0
15681692	Covalent_Unit_Count	1
3085401	Undefined_Bond_Stereo_Count	0
73820465	Undefined_Atom_Stereo_Count	7
68718	Structure_Complexity	853
25200541	Defined_Bond_Stereo_Count	0
67313	Mono_Isotopic_Weight	222.0229765
66282	Total_Formal_Charge	0
192155	Defined_Bond_Stereo_Count	0
64466	Isotope_Atom_Count	0
11052038	Non-hydrogen_Atom_Count	6
6918222	Rotatable_Bond_Count	6
14300	Isotope_Atom_Count	0
23	Undefined_Atom_Stereo_Count	0
59810317	Non-hydrogen_Atom_Count	7
10340	TPSA	63.2
535795	Isotope_Atom_Count	0
443100	Rotatable_Bond_Count	8
146352	TPSA	128
48973	Mono_Isotopic_Weight	275.188529040
10343454	Hydrogen_Bond_Donor_Count	1
91318564	Non-hydrogen_Atom_Count	8
177870	Undefined_Bond_Stereo_Count	0
153818183	Total_Formal_Charge	0
129859783	Covalent_Unit_Count	1
12884652	XLogP3-AA	2.6
53786721	Rotatable_Bond_Count	0
16738927	Defined_Bond_Stereo_Count	0
56162	Defined_Bond_Stereo_Count	0
135418296	Structure_Complexity	357
51505	Rotatable_Bond_Count	10
11574877	Defined_Bond_Stereo_Count	0
480242	Total_Formal_Charge	0
125462886	Rotatable_Bond_Count	12
5020115	Molecular_Weight	88.13
6409	Exact_Mass	100.01359920
24865264	Defined_Atom_Stereo_Count	1
20306062	Mono_Isotopic_Weight	86.995642894
9931	Isotope_Atom_Count	0
2898	Total_Formal_Charge	0
13166771	Covalent_Unit_Count	1
138109343	Undefined_Atom_Stereo_Count	2
6148	Molecular_Weight	275.4
504659	Isotope_Atom_Count	0
59296039	XLogP3-AA	3.4
9601896	Tautomer_Count	1
10336	Rotatable_Bond_Count	1
24705	TPSA	18.5
9600409	Isotope_Atom_Count	0
859122	Covalent_Unit_Count	1
58860	Undefined_Bond_Stereo_Count	0
10895	Non-hydrogen_Atom_Count	9
984456	Hydrogen_Bond_Donor_Count	2
90019869	Rotatable_Bond_Count	0
4177	Hydrogen_Bond_Donor_Count	1
697993	Structure_Complexity	158
68768711	TPSA	49.3
80277	Defined_Bond_Stereo_Count	0
134826479	Undefined_Atom_Stereo_Count	0
54115157	Isotope_Atom_Count	0
7304	Structure_Complexity	37.2
65399	Total_Formal_Charge	0
6478035	Tautomer_Count	2
104150	Undefined_Atom_Stereo_Count	0
16690	TPSA	0
40500	Tautomer_Count	1
4353	Exact_Mass	136.94763
6327594	TPSA	49.9
7259	Rotatable_Bond_Count	0
13625	Structure_Complexity	160
69896	Structure_Complexity	191
1610	Mono_Isotopic_Weight	230.09027155
129826699	Structure_Complexity	382
657220	XLogP3	6.2
107771	TPSA	73.8
16843	Exact_Mass	195.89968
6536825	TPSA	121
12535	Non-hydrogen_Atom_Count	30
101630832	Non-hydrogen_Atom_Count	26
9956222	Covalent_Unit_Count	1
192275	Hydrogen_Bond_Acceptor_Count	5
123954185	TPSA	3
134688043	Total_Formal_Charge	0
446753	Rotatable_Bond_Count	4
70333	Hydrogen_Bond_Donor_Count	0
17754081	Hydrogen_Bond_Donor_Count	4
9808	Covalent_Unit_Count	1
107770	Rotatable_Bond_Count	0
57191557	Hydrogen_Bond_Acceptor_Count	2
12748956	Structure_Complexity	254
9589	Rotatable_Bond_Count	1
25217475	Total_Formal_Charge	0
93221	Defined_Atom_Stereo_Count	0
90375453	Molecular_Weight	100.12
56330	Mono_Isotopic_Weight	417.22637110
73361	Total_Formal_Charge	0
11197931	Rotatable_Bond_Count	1
12370	Undefined_Bond_Stereo_Count	0
7212	Structure_Complexity	105
213049	Exact_Mass	465.13475634
14808025	Mono_Isotopic_Weight	101.047678466
60196378	Covalent_Unit_Count	2
105426929	TPSA	12
11446863	Hydrogen_Bond_Acceptor_Count	5
15480320	Undefined_Bond_Stereo_Count	0
60573	Tautomer_Count	6
57392493	Exact_Mass	457.25294081
11788284	Molecular_Weight	114.19
6993950	Structure_Complexity	172
9264	Covalent_Unit_Count	1
141672	Structure_Complexity	55.2
6506250	Undefined_Atom_Stereo_Count	1
9700	TPSA	146
17520	Exact_Mass	151.00918496
44318267	Covalent_Unit_Count	1
22465468	Exact_Mass	116.047344113
11636326	Structure_Complexity	606
657251	Exact_Mass	388.0987820
131850873	Rotatable_Bond_Count	0
163628725	Undefined_Bond_Stereo_Count	0
54676860	Structure_Complexity	232
61534	TPSA	2
16533	Defined_Bond_Stereo_Count	0
89594	Hydrogen_Bond_Donor_Count	0
3009355	Undefined_Bond_Stereo_Count	0
108207	Molecular_Weight	344.4
14409	Molecular_Weight	329.8
22160	Total_Formal_Charge	0
3084049	Exact_Mass	799.22325494
166754	Structure_Complexity	704
11966311	Hydrogen_Bond_Acceptor_Count	19
53956489	Hydrogen_Bond_Donor_Count	1
67629	Defined_Atom_Stereo_Count	0
8982	Undefined_Atom_Stereo_Count	0
44563178	Exact_Mass	396.20738760
524629	Exact_Mass	98.109550447
13521	Defined_Atom_Stereo_Count	0
82452	Isotope_Atom_Count	0
56841556	Structure_Complexity	1890
58962911	Isotope_Atom_Count	0
13450501	TPSA	0
519971	Molecular_Weight	109.13
53476	Mono_Isotopic_Weight	249.9799641
6091	Hydrogen_Bond_Donor_Count	1
35023	Total_Formal_Charge	0
57441855	Structure_Complexity	578
694041	Hydrogen_Bond_Donor_Count	2
7563	Molecular_Weight	184.23
2064030	Hydrogen_Bond_Acceptor_Count	1
5251857	Defined_Atom_Stereo_Count	0
71426	Defined_Atom_Stereo_Count	2
54682930	Molecular_Weight	162.14
6409633	Molecular_Weight	101.10
3079842	Isotope_Atom_Count	0
913	Molecular_Weight	151.21
51585	Molecular_Weight	224.32
70310	Hydrogen_Bond_Donor_Count	0
19385647	Hydrogen_Bond_Donor_Count	1
94097	Mono_Isotopic_Weight	238.04773803
79618	Undefined_Bond_Stereo_Count	0
82839	Structure_Complexity	18.3
5354896	Rotatable_Bond_Count	2
24892842	Isotope_Atom_Count	0
193702	Hydrogen_Bond_Donor_Count	0
44407	Undefined_Atom_Stereo_Count	0
11986122	Undefined_Atom_Stereo_Count	0
74193	Non-hydrogen_Atom_Count	16
62374	Non-hydrogen_Atom_Count	11
161218	TPSA	131
21207	Molecular_Weight	299.28
642157	Molecular_Weight	121.16
19935266	Undefined_Bond_Stereo_Count	0
153830378	Defined_Atom_Stereo_Count	0
154103	Total_Formal_Charge	0
1437838	Undefined_Bond_Stereo_Count	0
20928	Hydrogen_Bond_Donor_Count	1
75412563	Undefined_Bond_Stereo_Count	0
2588	Covalent_Unit_Count	1
59896759	Defined_Atom_Stereo_Count	0
156212	Undefined_Bond_Stereo_Count	0
59296073	Isotope_Atom_Count	0
147020	TPSA	26.3
10778228	Total_Formal_Charge	0
85544020	Covalent_Unit_Count	1
12839329	Defined_Atom_Stereo_Count	0
751505	Isotope_Atom_Count	0
87020	XLogP3	1.3
12351158	Isotope_Atom_Count	0
13235329	Molecular_Weight	94.15
11965427	Covalent_Unit_Count	1
2762892	Defined_Bond_Stereo_Count	0
8590	Covalent_Unit_Count	1
99290	Total_Formal_Charge	0
535111	Total_Formal_Charge	0
76497	Structure_Complexity	138
23783	Hydrogen_Bond_Donor_Count	0
6918988	Molecular_Weight	293.29
957500	Total_Formal_Charge	0
2444	Hydrogen_Bond_Acceptor_Count	2
45238	Molecular_Weight	289.4
11233	Mono_Isotopic_Weight	114.140850574
16957	Undefined_Atom_Stereo_Count	0
10996972	TPSA	9.2
44578615	TPSA	108
5488547	Covalent_Unit_Count	3
70691388	Mono_Isotopic_Weight	3946.9206749
656575	Structure_Complexity	1050
11635721	Molecular_Weight	596.8
56603728	Defined_Bond_Stereo_Count	0
55182	Structure_Complexity	443
66308	Rotatable_Bond_Count	4
58373	Rotatable_Bond_Count	2
58265196	Exact_Mass	180.06338810
528612	Covalent_Unit_Count	1
15979	XLogP3-AA	9.3
44155874	Hydrogen_Bond_Acceptor_Count	5
54597740	Hydrogen_Bond_Donor_Count	3
10217663	Defined_Bond_Stereo_Count	0
52038	Undefined_Bond_Stereo_Count	0
101194	Rotatable_Bond_Count	0
9984374	Isotope_Atom_Count	0
9921	Defined_Atom_Stereo_Count	0
165365661	Covalent_Unit_Count	3
45358084	Covalent_Unit_Count	2
12401	Isotope_Atom_Count	0
24229456	Rotatable_Bond_Count	0
57740148	Defined_Atom_Stereo_Count	0
22805729	Structure_Complexity	621
20253	Defined_Bond_Stereo_Count	0
5368831	Molecular_Weight	138.16
122517441	Undefined_Bond_Stereo_Count	0
20486	Mono_Isotopic_Weight	421.9782500
131752808	Defined_Atom_Stereo_Count	2
236745	Isotope_Atom_Count	0
12750169	Total_Formal_Charge	0
14822542	Isotope_Atom_Count	0
8189	Undefined_Bond_Stereo_Count	0
73267	Defined_Bond_Stereo_Count	0
13157	Hydrogen_Bond_Donor_Count	1
76288	Non-hydrogen_Atom_Count	8
5283736	Molecular_Weight	416.6
119085356	Exact_Mass	113.011292958
118689593	Undefined_Atom_Stereo_Count	1
10240797	Total_Formal_Charge	0
118210492	Hydrogen_Bond_Donor_Count	0
145994868	Defined_Bond_Stereo_Count	0
59968312	Undefined_Atom_Stereo_Count	0
114751	Structure_Complexity	346
41270	Rotatable_Bond_Count	0
60196405	Structure_Complexity	606
21282995	Defined_Atom_Stereo_Count	0
837924	XLogP3-AA	4.2
16133892	Covalent_Unit_Count	1
89708952	Rotatable_Bond_Count	0
71172	Hydrogen_Bond_Acceptor_Count	4
54445182	Undefined_Atom_Stereo_Count	3
168088	Hydrogen_Bond_Donor_Count	1
97730	Defined_Atom_Stereo_Count	0
53814	XLogP3-AA	3.6
6918663	Hydrogen_Bond_Donor_Count	1
54585737	Total_Formal_Charge	0
52361	Defined_Bond_Stereo_Count	0
25008765	Total_Formal_Charge	0
44589090	Non-hydrogen_Atom_Count	29
718862	Non-hydrogen_Atom_Count	20
6413	Hydrogen_Bond_Donor_Count	0
8557	Non-hydrogen_Atom_Count	18
59594973	Total_Formal_Charge	0
20011	Defined_Atom_Stereo_Count	0
320263	TPSA	58
683563	Rotatable_Bond_Count	1
75747	Covalent_Unit_Count	1
131698851	Covalent_Unit_Count	1
23170707	Mono_Isotopic_Weight	112.125200510
10295970	Covalent_Unit_Count	1
67108333	Total_Formal_Charge	0
118972006	Undefined_Bond_Stereo_Count	0
18424759	Hydrogen_Bond_Donor_Count	1
72171	Hydrogen_Bond_Donor_Count	1
5273472	TPSA	43.1
53238011	Defined_Atom_Stereo_Count	0
104123	Structure_Complexity	156
22020033	Hydrogen_Bond_Donor_Count	0
44590447	Isotope_Atom_Count	0
97727	Rotatable_Bond_Count	2
162268	Defined_Bond_Stereo_Count	0
68846936	Structure_Complexity	596
10290744	Defined_Atom_Stereo_Count	0
123923329	Rotatable_Bond_Count	13
96299	Rotatable_Bond_Count	1
82259	Molecular_Weight	342.95
104807	Mono_Isotopic_Weight	134.08776963
58049817	TPSA	26.3
91822	Exact_Mass	235.2066777
36576	Defined_Atom_Stereo_Count	0
137018	Total_Formal_Charge	0
13439	Hydrogen_Bond_Donor_Count	0
53808	Defined_Bond_Stereo_Count	0
47445	Undefined_Bond_Stereo_Count	0
10379137	Total_Formal_Charge	0
259360	Total_Formal_Charge	0
12200728	Molecular_Weight	110.15
5360807	Hydrogen_Bond_Acceptor_Count	8
101237041	Hydrogen_Bond_Donor_Count	4
44345559	Defined_Atom_Stereo_Count	9
441082	Undefined_Bond_Stereo_Count	0
12102501	Defined_Atom_Stereo_Count	0
10654175	Mono_Isotopic_Weight	97.052763847
28048	Hydrogen_Bond_Donor_Count	0
2350	TPSA	62.7
45357888	Undefined_Atom_Stereo_Count	2
5484	Structure_Complexity	309
19098324	Defined_Atom_Stereo_Count	0
107927	Tautomer_Count	15
71464587	Exact_Mass	559.09135
16639	Mono_Isotopic_Weight	232.121177757
84715993	TPSA	49.8
4454486	Exact_Mass	216.137496527
100	Structure_Complexity	1240
9387	Non-hydrogen_Atom_Count	26
70122	TPSA	40.6
516806	Hydrogen_Bond_Acceptor_Count	13
6570	Defined_Atom_Stereo_Count	0
71433133	Rotatable_Bond_Count	0
129668601	Defined_Atom_Stereo_Count	0
58270418	Mono_Isotopic_Weight	114.068079557
70499	Non-hydrogen_Atom_Count	10
8130	Hydrogen_Bond_Donor_Count	0
12702413	Molecular_Weight	180.20
10132209	Hydrogen_Bond_Donor_Count	1
142044455	Molecular_Weight	108.18
91580832	TPSA	58.6
23270355	Covalent_Unit_Count	1
210301	Defined_Atom_Stereo_Count	0
9819043	Structure_Complexity	455
711	TPSA	201
9930243	Defined_Bond_Stereo_Count	0
124224929	Total_Formal_Charge	0
33710	Mono_Isotopic_Weight	444.375601531
375481	Isotope_Atom_Count	0
25133976	Exact_Mass	422.17541877
19028612	Mono_Isotopic_Weight	116.083729621
16726630	Isotope_Atom_Count	0
441203	Undefined_Atom_Stereo_Count	0
7839	XLogP3	2
9953184	Covalent_Unit_Count	2
183729	Hydrogen_Bond_Donor_Count	0
18822	Undefined_Atom_Stereo_Count	0
34303	Exact_Mass	234.198365449
71309905	Non-hydrogen_Atom_Count	12
20632752	Defined_Bond_Stereo_Count	0
137224318	Exact_Mass	500.18484064
289807	Undefined_Bond_Stereo_Count	0
6918204	Hydrogen_Bond_Donor_Count	14
24848068	Rotatable_Bond_Count	7
12346769	Structure_Complexity	171
90961655	Structure_Complexity	80.1
611967	TPSA	116
98048102	Structure_Complexity	756
13017	Total_Formal_Charge	0
50523	Mono_Isotopic_Weight	481.13649
71781	Non-hydrogen_Atom_Count	22
4961823	Exact_Mass	102.079312947
60824	XLogP3-AA	2.2
530422	Hydrogen_Bond_Acceptor_Count	0
564558	Hydrogen_Bond_Acceptor_Count	2
444539	XLogP3	2.1
12830793	Undefined_Atom_Stereo_Count	0
158781	Isotope_Atom_Count	0
44755146	Total_Formal_Charge	0
44319	Undefined_Atom_Stereo_Count	0
20146588	Undefined_Atom_Stereo_Count	0
125032907	Defined_Atom_Stereo_Count	6
91985	Hydrogen_Bond_Acceptor_Count	0
153805791	Hydrogen_Bond_Acceptor_Count	3
4518	Covalent_Unit_Count	1
39593	Molecular_Weight	220.31
301417	Molecular_Weight	110.11
153097190	XLogP3-AA	1.2
594832	Exact_Mass	160.063662883
8573	Defined_Bond_Stereo_Count	0
3047787	Undefined_Bond_Stereo_Count	0
5417	Rotatable_Bond_Count	4
4479912	Covalent_Unit_Count	1
134008	Hydrogen_Bond_Acceptor_Count	6
10129907	Exact_Mass	102.031694049
57411983	XLogP3-AA	2.3
20118	Tautomer_Count	2
62823	Undefined_Atom_Stereo_Count	1
56711	Hydrogen_Bond_Donor_Count	0
11605	XLogP3	2.5
2763078	Undefined_Atom_Stereo_Count	0
23677832	Structure_Complexity	158
216249	Hydrogen_Bond_Acceptor_Count	5
4284	Hydrogen_Bond_Donor_Count	0
446308	Hydrogen_Bond_Acceptor_Count	4
398738	Covalent_Unit_Count	2
56218	Tautomer_Count	2
10171288	Isotope_Atom_Count	0
4832	Undefined_Atom_Stereo_Count	2
5464037	Total_Formal_Charge	0
67463	Rotatable_Bond_Count	0
88922160	Hydrogen_Bond_Donor_Count	10
11669698	Covalent_Unit_Count	1
24643	Undefined_Bond_Stereo_Count	0
136705145	Mono_Isotopic_Weight	388.09066547
490561	Structure_Complexity	977
17344	Molecular_Weight	257.5
9846588	Hydrogen_Bond_Acceptor_Count	8
11545	Defined_Bond_Stereo_Count	0
118797420	Defined_Atom_Stereo_Count	0
12601908	Undefined_Atom_Stereo_Count	0
137644	Total_Formal_Charge	0
5311425	Isotope_Atom_Count	0
11597571	Undefined_Bond_Stereo_Count	0
73887162	Mono_Isotopic_Weight	98.073164938
483998	Exact_Mass	340.0202136
5375	TPSA	171
20525471	Exact_Mass	96.043596145
141080616	Total_Formal_Charge	0
8230	Molecular_Weight	1084.2
17963153	Hydrogen_Bond_Donor_Count	1
52947109	Mono_Isotopic_Weight	419.14567599
2077	Total_Formal_Charge	0
102197490	Defined_Bond_Stereo_Count	0
89239	Hydrogen_Bond_Donor_Count	0
8291	Non-hydrogen_Atom_Count	18
53952865	Undefined_Bond_Stereo_Count	0
105056	Undefined_Atom_Stereo_Count	0
14803791	Defined_Atom_Stereo_Count	0
2125	Rotatable_Bond_Count	4
2130	Total_Formal_Charge	0
141725394	Exact_Mass	103.063328530
582056	Undefined_Bond_Stereo_Count	0
439647	Hydrogen_Bond_Donor_Count	1
2223	Defined_Bond_Stereo_Count	0
11287722	Exact_Mass	232.10341969
19086	Non-hydrogen_Atom_Count	21
9935526	Covalent_Unit_Count	1
23525700	Total_Formal_Charge	0
9570093	Defined_Atom_Stereo_Count	0
13758	Total_Formal_Charge	0
136274	Defined_Bond_Stereo_Count	0
818	TPSA	202
129720364	Mono_Isotopic_Weight	283.16443955
10316809	Covalent_Unit_Count	1
57395184	TPSA	112
693241	Hydrogen_Bond_Donor_Count	0
702695	TPSA	96.3
129010024	Hydrogen_Bond_Acceptor_Count	19
161032	Covalent_Unit_Count	1
123268	Tautomer_Count	1
3737	TPSA	95.5
135084	Rotatable_Bond_Count	9
14021582	Total_Formal_Charge	0
15206928	Isotope_Atom_Count	0
5482	Defined_Atom_Stereo_Count	0
71752170	Defined_Bond_Stereo_Count	0
54594881	Isotope_Atom_Count	0
101643208	Tautomer_Count	1
52943373	Exact_Mass	411.12060406
75633	Undefined_Bond_Stereo_Count	0
2936	Exact_Mass	339.99604987
13233	Rotatable_Bond_Count	0
139078692	Undefined_Bond_Stereo_Count	0
6604009	Non-hydrogen_Atom_Count	29
21822	Covalent_Unit_Count	1
688993	XLogP3	5.3
91139914	XLogP3-AA	2.7
76191	Covalent_Unit_Count	1
14957	Exact_Mass	548.27338086
54925	TPSA	115
129786694	Covalent_Unit_Count	1
502206	Defined_Atom_Stereo_Count	15
11420409	TPSA	103
59194207	Covalent_Unit_Count	1
709225	TPSA	71.3
24802	TPSA	138
3746	Hydrogen_Bond_Acceptor_Count	3
160205454	Rotatable_Bond_Count	0
15982533	Exact_Mass	451.22195442
25132953	Rotatable_Bond_Count	4
441035	Hydrogen_Bond_Donor_Count	5
8038	Total_Formal_Charge	0
87645235	Defined_Atom_Stereo_Count	0
620	Hydrogen_Bond_Acceptor_Count	13
129871020	Hydrogen_Bond_Donor_Count	0
82593536	Hydrogen_Bond_Donor_Count	1
11391	Tautomer_Count	1
6553885	Structure_Complexity	151
52112	TPSA	103
47319	Molecular_Weight	929.1
358641	Defined_Atom_Stereo_Count	0
194953	Mono_Isotopic_Weight	202.09535693
54736486	Covalent_Unit_Count	1
824657	Defined_Bond_Stereo_Count	0
11151622	Undefined_Bond_Stereo_Count	0
28060	Tautomer_Count	2
34457	Mono_Isotopic_Weight	645.2623935
11849	Covalent_Unit_Count	1
18317	Defined_Atom_Stereo_Count	0
23696271	Hydrogen_Bond_Acceptor_Count	5
25199798	Isotope_Atom_Count	0
123928307	Hydrogen_Bond_Donor_Count	0
71785	Defined_Bond_Stereo_Count	0
71308755	Tautomer_Count	1
92272	TPSA	63.6
22491623	Undefined_Bond_Stereo_Count	0
11768523	Mono_Isotopic_Weight	106.053098200
379058	Non-hydrogen_Atom_Count	46
139759	Exact_Mass	14.03200687
24857286	Tautomer_Count	1
72941990	Hydrogen_Bond_Donor_Count	2
10197668	Rotatable_Bond_Count	3
4092621	XLogP3-AA	2.2
72743000	Hydrogen_Bond_Donor_Count	1
72026	Molecular_Weight	326.4
521928	Non-hydrogen_Atom_Count	24
25273607	Rotatable_Bond_Count	6
131982921	Defined_Bond_Stereo_Count	0
9568637	Rotatable_Bond_Count	6
71752170	Molecular_Weight	306.37
148335	Total_Formal_Charge	0
71730	Covalent_Unit_Count	1
13709	Non-hydrogen_Atom_Count	16
963	Structure_Complexity	1660
580481	Non-hydrogen_Atom_Count	15
102967	Defined_Atom_Stereo_Count	0
103564927	Rotatable_Bond_Count	0
54686186	Isotope_Atom_Count	0
6537489	Total_Formal_Charge	0
135801111	Isotope_Atom_Count	0
88976	Defined_Atom_Stereo_Count	0
54384029	Total_Formal_Charge	0
494123	Defined_Atom_Stereo_Count	0
57394330	Mono_Isotopic_Weight	442.29439109
53678561	Undefined_Atom_Stereo_Count	0
93365	Molecular_Weight	303.5
123597	Undefined_Atom_Stereo_Count	1
13019068	Non-hydrogen_Atom_Count	30
68880	Rotatable_Bond_Count	7
10618	Undefined_Bond_Stereo_Count	0
38140	Total_Formal_Charge	0
2402	Molecular_Weight	453.5
10771356	Hydrogen_Bond_Donor_Count	5
64718	TPSA	104
657309	Undefined_Atom_Stereo_Count	1
123816	Isotope_Atom_Count	0
101987917	Undefined_Atom_Stereo_Count	0
54682507	Exact_Mass	324.09977361
22601	Hydrogen_Bond_Donor_Count	1
34927	TPSA	76.7
74370	Non-hydrogen_Atom_Count	57
88396	Isotope_Atom_Count	0
82517	Defined_Atom_Stereo_Count	0
72307	Defined_Bond_Stereo_Count	0
4356	Defined_Bond_Stereo_Count	0
132594558	Undefined_Atom_Stereo_Count	1
5363234	Structure_Complexity	362
76589	TPSA	55.8
222656	Tautomer_Count	53
11181836	Total_Formal_Charge	0
121	Hydrogen_Bond_Acceptor_Count	14
101658	Defined_Atom_Stereo_Count	0
19040543	Total_Formal_Charge	0
17579	Mono_Isotopic_Weight	365.04868078
23581869	Total_Formal_Charge	0
145819	TPSA	55.7
10821	Rotatable_Bond_Count	1
22001134	Isotope_Atom_Count	0
52165	Undefined_Atom_Stereo_Count	4
16071605	Molecular_Weight	409.5
135475930	Hydrogen_Bond_Donor_Count	4
71451733	TPSA	76.4
10486803	Exact_Mass	98.048012819
165653078	Covalent_Unit_Count	1
23938	Rotatable_Bond_Count	0
89518758	Structure_Complexity	382
289	Defined_Bond_Stereo_Count	0
9934033	TPSA	70.2
84506	Undefined_Atom_Stereo_Count	0
10518	Total_Formal_Charge	0
10197702	Non-hydrogen_Atom_Count	10
127036839	Structure_Complexity	304
14967651	Undefined_Bond_Stereo_Count	0
55289386	Total_Formal_Charge	0
649852	Defined_Atom_Stereo_Count	0
5206	Defined_Bond_Stereo_Count	0
11509958	Non-hydrogen_Atom_Count	25
47547	Isotope_Atom_Count	0
57401683	Mono_Isotopic_Weight	452.18821194
12545025	Total_Formal_Charge	0
13696436	Mono_Isotopic_Weight	335.9808379
11500273	TPSA	36.3
19657	Exact_Mass	216.00100232
1566	Total_Formal_Charge	0
146222	Covalent_Unit_Count	1
4875	Molecular_Weight	166.0028
145	Rotatable_Bond_Count	5
15606	Defined_Atom_Stereo_Count	0
4549	TPSA	95.2
5480431	Undefined_Bond_Stereo_Count	0
60921	Hydrogen_Bond_Acceptor_Count	9
5148195	Mono_Isotopic_Weight	169.110278721
6875624	TPSA	78.4
5184540	Isotope_Atom_Count	0
16437056	Defined_Bond_Stereo_Count	0
444655	Non-hydrogen_Atom_Count	9
34591	Tautomer_Count	2
12171	XLogP3-AA	2.7
13327309	Hydrogen_Bond_Acceptor_Count	2
141315890	Isotope_Atom_Count	0
116814	Total_Formal_Charge	0
11446305	Rotatable_Bond_Count	1
2827646	Undefined_Bond_Stereo_Count	0
17560	Undefined_Atom_Stereo_Count	0
12486215	Total_Formal_Charge	0
77011628	Molecular_Weight	101.10
5288217	Covalent_Unit_Count	1
3340152	Rotatable_Bond_Count	1
13530	Rotatable_Bond_Count	2
5464190	Structure_Complexity	869
9840	Mono_Isotopic_Weight	154.04415044
86287517	Defined_Bond_Stereo_Count	0
64148	Hydrogen_Bond_Donor_Count	0
2562	TPSA	38.8
137609	Covalent_Unit_Count	1
7048703	TPSA	97.2
4669250	Undefined_Bond_Stereo_Count	0
132302	Molecular_Weight	301.37
99560	TPSA	41.6
6671	XLogP3-AA	4.3
83953	Non-hydrogen_Atom_Count	60
66083	XLogP3-AA	1.1
60196421	Hydrogen_Bond_Donor_Count	0
12578534	Defined_Bond_Stereo_Count	0
119185	Structure_Complexity	939
91696191	Defined_Bond_Stereo_Count	0
11105340	Undefined_Bond_Stereo_Count	0
10942338	Molecular_Weight	86.09
73958	Exact_Mass	110.073164938
70401991	Defined_Atom_Stereo_Count	0
16683091	Undefined_Atom_Stereo_Count	0
58714	Defined_Atom_Stereo_Count	0
363272	Non-hydrogen_Atom_Count	23
11164	Rotatable_Bond_Count	1
133109022	Molecular_Weight	505.7
24762165	Undefined_Atom_Stereo_Count	0
12428018	Covalent_Unit_Count	1
97105	Covalent_Unit_Count	1
3058221	Defined_Bond_Stereo_Count	0
17131	Rotatable_Bond_Count	0
36829	Defined_Bond_Stereo_Count	0
24846132	Isotope_Atom_Count	0
565589	XLogP3-AA	2.6
3373	Hydrogen_Bond_Acceptor_Count	5
11432307	Undefined_Bond_Stereo_Count	0
58154	Exact_Mass	255.0662210
54679224	Hydrogen_Bond_Donor_Count	2
21492261	Defined_Atom_Stereo_Count	0
56680102	Mono_Isotopic_Weight	480.09039069
53395363	Defined_Bond_Stereo_Count	0
14789	Hydrogen_Bond_Donor_Count	2
85694	Molecular_Weight	398.6
19847	XLogP3-AA	0.2
84866	Undefined_Atom_Stereo_Count	0
72187523	Non-hydrogen_Atom_Count	41
89200515	Hydrogen_Bond_Donor_Count	5
13490845	Exact_Mass	447.27734404
24936995	Structure_Complexity	175
11073371	XLogP3-AA	1.5
5364643	Hydrogen_Bond_Acceptor_Count	1
71377454	Defined_Bond_Stereo_Count	0
3058503	Total_Formal_Charge	0
22170205	Non-hydrogen_Atom_Count	25
8250	Rotatable_Bond_Count	6
638678	Covalent_Unit_Count	1
537593	Isotope_Atom_Count	0
44310721	Mono_Isotopic_Weight	415.1429471
13000487	Defined_Atom_Stereo_Count	0
446201	Structure_Complexity	1120
40472	Mono_Isotopic_Weight	391.805444
12281	Isotope_Atom_Count	0
15150444	Undefined_Bond_Stereo_Count	0
16694	Hydrogen_Bond_Acceptor_Count	0
439684	Undefined_Atom_Stereo_Count	0
132598553	Covalent_Unit_Count	1
143851	Mono_Isotopic_Weight	106.078250319
148189	Structure_Complexity	558
17345	Undefined_Bond_Stereo_Count	0
156120	XLogP3-AA	0
6549	Undefined_Atom_Stereo_Count	1
100964856	TPSA	186
19935912	Hydrogen_Bond_Acceptor_Count	1
4164	Undefined_Bond_Stereo_Count	0
251910	Hydrogen_Bond_Acceptor_Count	4
10297982	Isotope_Atom_Count	0
19778718	Non-hydrogen_Atom_Count	8
517165	Defined_Bond_Stereo_Count	0
702	Defined_Atom_Stereo_Count	0
13811	Mono_Isotopic_Weight	526.28768825
16679	Defined_Bond_Stereo_Count	0
90066559	Non-hydrogen_Atom_Count	7
7594067	Structure_Complexity	458
85117	Isotope_Atom_Count	0
21356	Molecular_Weight	204.01
10632	Undefined_Bond_Stereo_Count	0
71515466	Defined_Atom_Stereo_Count	8
5284597	Rotatable_Bond_Count	0
83063	Hydrogen_Bond_Donor_Count	0
2471	Mono_Isotopic_Weight	364.10929292
36647	Structure_Complexity	234
3485	Rotatable_Bond_Count	4
135465077	Defined_Bond_Stereo_Count	1
2729	Non-hydrogen_Atom_Count	21
71462102	Mono_Isotopic_Weight	478.1426128
117968974	Non-hydrogen_Atom_Count	20
10510831	Mono_Isotopic_Weight	112.100048391
136005230	TPSA	54.7
945	Isotope_Atom_Count	0
536124	Non-hydrogen_Atom_Count	8
12219458	Isotope_Atom_Count	9
156580566	Mono_Isotopic_Weight	466.21038668
21559054	Covalent_Unit_Count	1
11815322	Defined_Bond_Stereo_Count	0
71625880	Covalent_Unit_Count	1
316542	Undefined_Atom_Stereo_Count	0
12387212	Mono_Isotopic_Weight	104.047344113
12317881	Undefined_Atom_Stereo_Count	0
40029	Mono_Isotopic_Weight	275.167399674
24450	Mono_Isotopic_Weight	173.88865848
6128	Mono_Isotopic_Weight	286.193280068
54518010	Covalent_Unit_Count	1
139510	Defined_Atom_Stereo_Count	0
119819	TPSA	49.8
5283339	Hydrogen_Bond_Acceptor_Count	1
12358851	Defined_Atom_Stereo_Count	3
10288	Hydrogen_Bond_Acceptor_Count	3
17126	Isotope_Atom_Count	0
72728884	Undefined_Bond_Stereo_Count	1
36255	Mono_Isotopic_Weight	545.92082
3976	Total_Formal_Charge	0
70090	Undefined_Atom_Stereo_Count	0
5459110	TPSA	59.1
14416612	Rotatable_Bond_Count	1
638019	Undefined_Atom_Stereo_Count	0
91172822	XLogP3-AA	5.1
2657	TPSA	288
24748573	Undefined_Bond_Stereo_Count	0
44565799	Isotope_Atom_Count	0
6415	Molecular_Weight	296.74
21026729	Hydrogen_Bond_Acceptor_Count	2
241023	Covalent_Unit_Count	1
20818646	Mono_Isotopic_Weight	112.088815002
138961	Hydrogen_Bond_Acceptor_Count	2
11600642	Defined_Atom_Stereo_Count	1
40466900	Mono_Isotopic_Weight	411.19601972
261166	Defined_Bond_Stereo_Count	0
22181555	Exact_Mass	100.063662883
117683867	Defined_Atom_Stereo_Count	11
9802542	Exact_Mass	426.19197371
19873782	Hydrogen_Bond_Acceptor_Count	4
5288679	Isotope_Atom_Count	0
61305	TPSA	142
153754883	Defined_Bond_Stereo_Count	0
9549284	Defined_Bond_Stereo_Count	1
56646651	Non-hydrogen_Atom_Count	26
69763756	Rotatable_Bond_Count	1
12927947	Undefined_Bond_Stereo_Count	0
6433091	TPSA	23.5
12354987	Defined_Bond_Stereo_Count	0
53313171	Undefined_Bond_Stereo_Count	0
659024	Undefined_Atom_Stereo_Count	1
7372	Hydrogen_Bond_Acceptor_Count	0
636523	Undefined_Bond_Stereo_Count	0
53799855	Exact_Mass	111.032028402
11177439	Hydrogen_Bond_Donor_Count	4
9835303	Total_Formal_Charge	0
5815211	Hydrogen_Bond_Donor_Count	2
11948	Hydrogen_Bond_Acceptor_Count	0
739374	Non-hydrogen_Atom_Count	16
53340666	Defined_Atom_Stereo_Count	0
75530316	Defined_Bond_Stereo_Count	0
11633344	Molecular_Weight	429.6
14647	Hydrogen_Bond_Acceptor_Count	1
10349	Rotatable_Bond_Count	3
72916	Hydrogen_Bond_Acceptor_Count	2
372978	Covalent_Unit_Count	1
30	Isotope_Atom_Count	0
5282768	TPSA	37.3
187079	Structure_Complexity	687
22477643	Hydrogen_Bond_Donor_Count	1
429551	Molecular_Weight	144.17
159609	Structure_Complexity	93.7
969014	Defined_Bond_Stereo_Count	0
11313	Rotatable_Bond_Count	5
92775	Molecular_Weight	272.25
17691	Isotope_Atom_Count	0
72786882	Exact_Mass	409.23551554
79003661	Defined_Bond_Stereo_Count	0
9897697	Rotatable_Bond_Count	9
21023677	Isotope_Atom_Count	0
562634	Hydrogen_Bond_Acceptor_Count	3
542882	Hydrogen_Bond_Donor_Count	0
25142172	XLogP3-AA	3
118944	Non-hydrogen_Atom_Count	8
155353470	Structure_Complexity	32.9
85945	Non-hydrogen_Atom_Count	11
12235162	Tautomer_Count	1
616	TPSA	185
73167270	Exact_Mass	113.084063974
105104	Defined_Atom_Stereo_Count	3
89602862	Molecular_Weight	113.07
113415	Defined_Atom_Stereo_Count	0
700611	Structure_Complexity	326
53232451	TPSA	102
23204	TPSA	0
11478	Non-hydrogen_Atom_Count	21
96135	Total_Formal_Charge	0
4544	Hydrogen_Bond_Acceptor_Count	8
17842471	Isotope_Atom_Count	0
57396473	Covalent_Unit_Count	1
90408860	Exact_Mass	425.10234884
68207	Hydrogen_Bond_Donor_Count	2
9472	Defined_Atom_Stereo_Count	0
11083864	Exact_Mass	114.068079557
817967	Undefined_Atom_Stereo_Count	0
521947	Hydrogen_Bond_Donor_Count	0
139242912	Defined_Bond_Stereo_Count	1
1548954	Hydrogen_Bond_Donor_Count	1
15027981	Total_Formal_Charge	0
72758138	Molecular_Weight	437.5
10046	Defined_Bond_Stereo_Count	0
78959	Total_Formal_Charge	0
53584	Hydrogen_Bond_Donor_Count	1
149784	XLogP3	2.6
1473603	Exact_Mass	280.121177757
409453	Covalent_Unit_Count	1
13511919	TPSA	20.2
6321414	Molecular_Weight	557.6
10098504	Structure_Complexity	951
52940810	Hydrogen_Bond_Acceptor_Count	5
4953	Isotope_Atom_Count	0
74325	Undefined_Atom_Stereo_Count	0
2037	Undefined_Bond_Stereo_Count	0
136005230	Defined_Atom_Stereo_Count	0
1118	Total_Formal_Charge	0
679386	XLogP3-AA	1.8
4442	XLogP3-AA	2.2
74079	Covalent_Unit_Count	1
57644703	Isotope_Atom_Count	0
525065	XLogP3-AA	3.1
12817960	Molecular_Weight	98.14
251219	Exact_Mass	226.15689456
135596593	Covalent_Unit_Count	1
54036153	Undefined_Atom_Stereo_Count	0
24946799	Undefined_Atom_Stereo_Count	1
89990643	Exact_Mass	102.079312947
44033	Structure_Complexity	379
57053963	Covalent_Unit_Count	1
4678317	Molecular_Weight	83.09
124655	XLogP3-AA	1.6
87280891	Hydrogen_Bond_Donor_Count	5
4583497	Hydrogen_Bond_Donor_Count	2
6327	Total_Formal_Charge	0
4557	Total_Formal_Charge	0
136648	Molecular_Weight	80.13
26556	TPSA	24.1
49868115	Hydrogen_Bond_Acceptor_Count	4
784	Mono_Isotopic_Weight	34.005479302
5773	Hydrogen_Bond_Donor_Count	1
71296883	Undefined_Bond_Stereo_Count	2
12664700	Isotope_Atom_Count	0
44629522	Molecular_Weight	582.7
108054	TPSA	1
461128	Rotatable_Bond_Count	2
5284380	Defined_Atom_Stereo_Count	4
3741048	Isotope_Atom_Count	0
121596705	Mono_Isotopic_Weight	361.18239829
1855	Exact_Mass	214.09535693
10992	Isotope_Atom_Count	0
89399042	Covalent_Unit_Count	1
70579	Exact_Mass	421.92576
68090055	Covalent_Unit_Count	1
734999	Undefined_Bond_Stereo_Count	0
33112	TPSA	42.8
512984	Defined_Atom_Stereo_Count	0
136892	TPSA	38.3
3331	Hydrogen_Bond_Acceptor_Count	4
136045807	Undefined_Atom_Stereo_Count	0
18736159	Rotatable_Bond_Count	0
78638	Tautomer_Count	3
3121386	TPSA	84
349957	Molecular_Weight	330.2
102348331	Defined_Atom_Stereo_Count	0
153308419	Hydrogen_Bond_Acceptor_Count	3
40473189	Defined_Bond_Stereo_Count	1
85821087	Hydrogen_Bond_Acceptor_Count	0
28204	Structure_Complexity	578
10129936	TPSA	74.6
53346603	Molecular_Weight	86.09
19350299	XLogP3-AA	0
12571	Hydrogen_Bond_Acceptor_Count	2
1470718	TPSA	57.1
56677003	Structure_Complexity	742
13257	Total_Formal_Charge	0
14907580	Covalent_Unit_Count	1
2914	Total_Formal_Charge	0
2272	Undefined_Atom_Stereo_Count	0
12452576	Mono_Isotopic_Weight	85.065339906
101042985	Hydrogen_Bond_Acceptor_Count	3
57349791	Total_Formal_Charge	0
54569511	Undefined_Bond_Stereo_Count	0
24743	Molecular_Weight	300.31
77971	Mono_Isotopic_Weight	239.05171847
134812477	Hydrogen_Bond_Donor_Count	4
2729005	Isotope_Atom_Count	0
6593	Undefined_Atom_Stereo_Count	0
6048	Covalent_Unit_Count	2
53403752	Isotope_Atom_Count	0
123827359	Exact_Mass	116.047344113
8275	Structure_Complexity	329
6015	Hydrogen_Bond_Donor_Count	0
449593	Exact_Mass	118.086803626
11191	Undefined_Atom_Stereo_Count	0
46780152	Hydrogen_Bond_Donor_Count	3
16058881	Hydrogen_Bond_Donor_Count	1
5496659	Mono_Isotopic_Weight	446.19540532
561488	Molecular_Weight	106.16
53232849	TPSA	21.6
67963	Structure_Complexity	159
3016164	Exact_Mass	103.099714038
307	Undefined_Atom_Stereo_Count	0
826479	Mono_Isotopic_Weight	236.08441558
44201342	Hydrogen_Bond_Acceptor_Count	76
159922	Molecular_Weight	112.06
13035004	Defined_Bond_Stereo_Count	0
56955286	Exact_Mass	367.168462302
3751373	Exact_Mass	109.052763847
120081	TPSA	76.7
139061453	Rotatable_Bond_Count	0
71124	Exact_Mass	702.29817356
2388	Non-hydrogen_Atom_Count	57
86453	XLogP3-AA	3.1
66129	Mono_Isotopic_Weight	448.05723
9865421	Mono_Isotopic_Weight	394.20049070
14978	Total_Formal_Charge	0
56928060	Isotope_Atom_Count	0
22153558	Mono_Isotopic_Weight	85.089149355
18755330	Hydrogen_Bond_Donor_Count	2
59434	Isotope_Atom_Count	0
6427121	Hydrogen_Bond_Acceptor_Count	1
2852	Non-hydrogen_Atom_Count	42
13685810	Undefined_Atom_Stereo_Count	1
20576	Undefined_Atom_Stereo_Count	2
71206	Isotope_Atom_Count	0
162501	Rotatable_Bond_Count	4
12377442	Undefined_Bond_Stereo_Count	0
21581827	Defined_Atom_Stereo_Count	4
5354004	Non-hydrogen_Atom_Count	22
9917968	Hydrogen_Bond_Donor_Count	6
473148	Hydrogen_Bond_Donor_Count	2
10472693	Undefined_Bond_Stereo_Count	0
131668621	Defined_Bond_Stereo_Count	0
14208378	Tautomer_Count	1
314582	Defined_Atom_Stereo_Count	0
119544	Exact_Mass	304.215078140
23675622	Defined_Bond_Stereo_Count	0
11796	Undefined_Atom_Stereo_Count	0
5889665	Rotatable_Bond_Count	5
168364	Exact_Mass	269.13755610
18617	Rotatable_Bond_Count	0
19022	Total_Formal_Charge	0
441033	Covalent_Unit_Count	1
21924868	Undefined_Atom_Stereo_Count	7
441325	Covalent_Unit_Count	2
33929	Structure_Complexity	244
129638548	Isotope_Atom_Count	0
594557	Rotatable_Bond_Count	3
98051220	Defined_Atom_Stereo_Count	6
56643412	Defined_Atom_Stereo_Count	0
6537213	Non-hydrogen_Atom_Count	33
568783	XLogP3	3.1
89399997	Non-hydrogen_Atom_Count	8
56845432	Non-hydrogen_Atom_Count	12
159325	Tautomer_Count	1
46926350	Defined_Atom_Stereo_Count	1
15715748	XLogP3-AA	2
5287620	Total_Formal_Charge	0
134270	XLogP3-AA	0.8
96396	Undefined_Atom_Stereo_Count	0
520744	Defined_Atom_Stereo_Count	0
5464097	Total_Formal_Charge	0
611887	Undefined_Bond_Stereo_Count	0
16129620	Hydrogen_Bond_Acceptor_Count	49
173636	Total_Formal_Charge	0
9798038	Non-hydrogen_Atom_Count	25
80837	Mono_Isotopic_Weight	706.13954689
217	Mono_Isotopic_Weight	299.00722369
66110	Exact_Mass	90.050091473
278715	Covalent_Unit_Count	1
5284580	Covalent_Unit_Count	1
58689886	Total_Formal_Charge	0
145603244	Undefined_Atom_Stereo_Count	2
166931	Mono_Isotopic_Weight	47.976501649
61136	Defined_Bond_Stereo_Count	0
162344793	Molecular_Weight	1011.7
22271690	Isotope_Atom_Count	0
11416891	Covalent_Unit_Count	2
153977505	Defined_Bond_Stereo_Count	0
9869776	Rotatable_Bond_Count	9
39538	Tautomer_Count	1
53978942	Molecular_Weight	100.16
3052775	Hydrogen_Bond_Donor_Count	2
86582	Undefined_Bond_Stereo_Count	1
12414299	Defined_Bond_Stereo_Count	0
9989	XLogP3-AA	3.1
121225388	TPSA	279
57503849	Undefined_Bond_Stereo_Count	0
18622355	Non-hydrogen_Atom_Count	8
53846427	Molecular_Weight	416.6
23574562	Hydrogen_Bond_Acceptor_Count	1
5353788	Undefined_Atom_Stereo_Count	0
6197	Hydrogen_Bond_Donor_Count	2
11018812	Defined_Atom_Stereo_Count	0
123455	Mono_Isotopic_Weight	75.008218953
47936	Undefined_Bond_Stereo_Count	0
67236438	Defined_Atom_Stereo_Count	3
9888340	Undefined_Bond_Stereo_Count	0
64824	Structure_Complexity	717
72121	Defined_Atom_Stereo_Count	0
39985	Structure_Complexity	358
76959818	Total_Formal_Charge	1
48000	TPSA	68.3
142966	Mono_Isotopic_Weight	68.026214747
68741938	Hydrogen_Bond_Acceptor_Count	9
3995	Exact_Mass	310.1059754
175915	Exact_Mass	250.07537038
71895	Hydrogen_Bond_Acceptor_Count	3
15561472	TPSA	49.3
14844402	Mono_Isotopic_Weight	526.2023205
123135742	TPSA	202
440927	Tautomer_Count	36
5484	Hydrogen_Bond_Donor_Count	0
65979	Hydrogen_Bond_Donor_Count	2
9995236	Isotope_Atom_Count	0
12982324	Hydrogen_Bond_Donor_Count	1
33539	Non-hydrogen_Atom_Count	29
134820103	Defined_Bond_Stereo_Count	0
9862937	Defined_Atom_Stereo_Count	0
67113727	Isotope_Atom_Count	0
106429	Defined_Bond_Stereo_Count	0
23690453	Defined_Bond_Stereo_Count	0
21339024	Exact_Mass	97.089149355
77801	Defined_Bond_Stereo_Count	0
26264	Rotatable_Bond_Count	0
6438712	Hydrogen_Bond_Acceptor_Count	4
10379137	Mono_Isotopic_Weight	284.11609238
67535	Defined_Bond_Stereo_Count	0
123846986	Undefined_Bond_Stereo_Count	0
12502857	Hydrogen_Bond_Donor_Count	0
65105	TPSA	52.3
43991	Isotope_Atom_Count	0
56962215	Molecular_Weight	114.14
7450	Covalent_Unit_Count	1
129689385	Exact_Mass	156.0481910
90470917	Defined_Bond_Stereo_Count	0
42608371	Molecular_Weight	287.44
17525	Defined_Atom_Stereo_Count	0
79446	Non-hydrogen_Atom_Count	7
114612	Total_Formal_Charge	0
633366	Structure_Complexity	335
44474	Hydrogen_Bond_Acceptor_Count	5
54368808	Structure_Complexity	144
83703	Rotatable_Bond_Count	0
145287	Non-hydrogen_Atom_Count	7
24239	Mono_Isotopic_Weight	163.038176411
40998	Molecular_Weight	410.3
616172	Undefined_Atom_Stereo_Count	0
3075	Isotope_Atom_Count	0
10909522	Exact_Mass	111.068413911
13562	Rotatable_Bond_Count	3
135465818	Undefined_Atom_Stereo_Count	0
44414728	Defined_Bond_Stereo_Count	0
93550	Non-hydrogen_Atom_Count	16
36667	Molecular_Weight	289.4
11513	Defined_Bond_Stereo_Count	0
304016	Structure_Complexity	177
443944	Defined_Atom_Stereo_Count	4
19995942	Covalent_Unit_Count	1
12251749	Defined_Atom_Stereo_Count	0
11635763	TPSA	90.9
3839223	Hydrogen_Bond_Acceptor_Count	3
10034581	Hydrogen_Bond_Acceptor_Count	1
70755	Undefined_Atom_Stereo_Count	0
91696	Defined_Atom_Stereo_Count	0
59716033	Mono_Isotopic_Weight	96.068748264
44143311	Structure_Complexity	576
6540298	Structure_Complexity	641
54215450	Molecular_Weight	101.10
13842461	Isotope_Atom_Count	0
32040	Covalent_Unit_Count	1
71454296	Molecular_Weight	522.3
193956	Tautomer_Count	12
4630253	Total_Formal_Charge	0
5101	Non-hydrogen_Atom_Count	30
21075956	Defined_Atom_Stereo_Count	1
6971097	Undefined_Atom_Stereo_Count	0
108043	Undefined_Bond_Stereo_Count	0
13134933	Total_Formal_Charge	0
561193	Structure_Complexity	210
338690	Covalent_Unit_Count	1
16722126	Defined_Bond_Stereo_Count	0
11233	Isotope_Atom_Count	0
15376592	Structure_Complexity	55.4
135977933	Hydrogen_Bond_Acceptor_Count	0
78904	Defined_Atom_Stereo_Count	0
69340339	XLogP3-AA	0.3
11317	Mono_Isotopic_Weight	156.093900383
11594966	Hydrogen_Bond_Acceptor_Count	3
5742590	Defined_Bond_Stereo_Count	0
22385449	Defined_Bond_Stereo_Count	0
143506727	Undefined_Atom_Stereo_Count	1
2723785	Hydrogen_Bond_Donor_Count	2
147007373	Molecular_Weight	81.12
11069	Exact_Mass	422.15115773
146157727	Total_Formal_Charge	0
49985	Structure_Complexity	249
27561	Defined_Bond_Stereo_Count	0
12348	Defined_Atom_Stereo_Count	0
9841075	Mono_Isotopic_Weight	344.18484064
44472831	Structure_Complexity	382
82241	Hydrogen_Bond_Donor_Count	0
7530950	Covalent_Unit_Count	1
23690449	Total_Formal_Charge	0
33344	Hydrogen_Bond_Donor_Count	0
66100	Mono_Isotopic_Weight	292.13910305
33514	Defined_Bond_Stereo_Count	0
40855	Defined_Bond_Stereo_Count	0
6634	Mono_Isotopic_Weight	284.0134744
10628031	Hydrogen_Bond_Donor_Count	6
11719190	Undefined_Atom_Stereo_Count	0
133562676	Undefined_Bond_Stereo_Count	0
34410	Isotope_Atom_Count	0
70312242	Covalent_Unit_Count	1
10909564	Isotope_Atom_Count	0
54704426	Non-hydrogen_Atom_Count	33
5323604	Hydrogen_Bond_Acceptor_Count	2
57370084	Covalent_Unit_Count	1
54684337	TPSA	182
584645	Isotope_Atom_Count	0
48558	Undefined_Bond_Stereo_Count	0
135544142	Structure_Complexity	748
3224	Isotope_Atom_Count	0
136838	Hydrogen_Bond_Acceptor_Count	0
53932534	Covalent_Unit_Count	1
20578853	Defined_Bond_Stereo_Count	0
3004	Exact_Mass	576.18293196
12730479	Hydrogen_Bond_Donor_Count	0
649217	XLogP3-AA	5
129735833	Defined_Atom_Stereo_Count	0
121235738	Hydrogen_Bond_Acceptor_Count	7
7570	Hydrogen_Bond_Acceptor_Count	4
137948991	Mono_Isotopic_Weight	116.047344113
80220	Hydrogen_Bond_Donor_Count	2
21956312	Covalent_Unit_Count	1
61743	TPSA	37.3
10221890	TPSA	139
17572160	Rotatable_Bond_Count	31
9793773	Undefined_Bond_Stereo_Count	0
17506	Undefined_Atom_Stereo_Count	0
17705	Covalent_Unit_Count	1
54726191	Covalent_Unit_Count	1
13263	Non-hydrogen_Atom_Count	15
77160509	Mono_Isotopic_Weight	85.089149355
9013	Defined_Atom_Stereo_Count	0
31312	Defined_Atom_Stereo_Count	7
81451	Undefined_Atom_Stereo_Count	0
92421	Rotatable_Bond_Count	4
90957031	Hydrogen_Bond_Donor_Count	1
22906680	Hydrogen_Bond_Acceptor_Count	1
2315	Exact_Mass	421.03778277
15940949	Exact_Mass	495.27332129
23670844	Exact_Mass	267.96536795
68740500	Rotatable_Bond_Count	3
58969552	Covalent_Unit_Count	1
135565042	Non-hydrogen_Atom_Count	29
157568	TPSA	26.3
439423	Molecular_Weight	384.6
4121	Rotatable_Bond_Count	2
516356	Undefined_Atom_Stereo_Count	0
44400351	Structure_Complexity	410
14626842	Defined_Atom_Stereo_Count	0
70034662	Defined_Atom_Stereo_Count	0
155087254	Defined_Atom_Stereo_Count	6
5480	Defined_Atom_Stereo_Count	0
10401	TPSA	26.3
221511	Total_Formal_Charge	0
57398259	TPSA	102
11860	Molecular_Weight	177.03
24901210	Undefined_Bond_Stereo_Count	0
12382883	TPSA	70.4
5330175	TPSA	68.7
14307964	Undefined_Atom_Stereo_Count	1
72828705	Mono_Isotopic_Weight	224.14124450
188803	Hydrogen_Bond_Donor_Count	5
44590341	Undefined_Bond_Stereo_Count	0
96201	Undefined_Atom_Stereo_Count	0
289031	Rotatable_Bond_Count	3
72026	Defined_Atom_Stereo_Count	0
10569	XLogP3-AA	4.8
18137	Structure_Complexity	134
694678	Non-hydrogen_Atom_Count	22
68210	Isotope_Atom_Count	0
12167	Tautomer_Count	1
3816	Hydrogen_Bond_Donor_Count	3
10616	Hydrogen_Bond_Acceptor_Count	3
452192	Defined_Bond_Stereo_Count	0
70240	Isotope_Atom_Count	0
15889752	Mono_Isotopic_Weight	102.068079557
46910592	Undefined_Atom_Stereo_Count	0
75516	Exact_Mass	426.37091007
18358	Defined_Atom_Stereo_Count	0
21827	Total_Formal_Charge	0
686073	Rotatable_Bond_Count	3
701841	Covalent_Unit_Count	1
16219471	Structure_Complexity	421
135974	XLogP3-AA	2.6
129428745	Molecular_Weight	480.7
3035842	Hydrogen_Bond_Donor_Count	2
24758982	Undefined_Bond_Stereo_Count	0
76963786	Molecular_Weight	297.39
134694664	Isotope_Atom_Count	0
104150	Hydrogen_Bond_Acceptor_Count	3
9855476	Total_Formal_Charge	0
54342100	Undefined_Atom_Stereo_Count	0
14337609	Mono_Isotopic_Weight	96.057514874
6420038	Isotope_Atom_Count	0
44454985	Hydrogen_Bond_Acceptor_Count	11
3437	Covalent_Unit_Count	1
52950209	Covalent_Unit_Count	1
230920	Molecular_Weight	154.25
24287	Exact_Mass	261.774663
82336	Defined_Atom_Stereo_Count	0
10027278	XLogP3-AA	5.2
23338787	TPSA	26.3
73415816	Hydrogen_Bond_Acceptor_Count	16
123165994	Non-hydrogen_Atom_Count	7
54584098	Exact_Mass	334.02046
22123753	Undefined_Atom_Stereo_Count	1
121026	TPSA	55.1
398738	Hydrogen_Bond_Acceptor_Count	4
5281872	Hydrogen_Bond_Donor_Count	0
523547	Rotatable_Bond_Count	5
117781134	Molecular_Weight	196.29
11513	TPSA	20.2
34148	Exact_Mass	368.11774614
165363357	Defined_Atom_Stereo_Count	7
136102	Structure_Complexity	80.7
2156	Non-hydrogen_Atom_Count	31
23686673	Non-hydrogen_Atom_Count	26
67771108	Molecular_Weight	100.12
86806	Defined_Bond_Stereo_Count	0
44419240	Defined_Atom_Stereo_Count	1
56841596	Undefined_Atom_Stereo_Count	7
26139	Undefined_Bond_Stereo_Count	0
91100506	Structure_Complexity	75.3
11319223	TPSA	121
141959525	TPSA	12
12354987	XLogP3	1
107791	Exact_Mass	88.039853434
57052261	Total_Formal_Charge	0
643990	Structure_Complexity	1320
136594	Tautomer_Count	1
163050675	Defined_Atom_Stereo_Count	6
67431	Undefined_Atom_Stereo_Count	0
135814	Exact_Mass	296.17360725
51553	Defined_Bond_Stereo_Count	0
87927	Rotatable_Bond_Count	4
21221120	Structure_Complexity	62.7
25113157	TPSA	178
75005	Defined_Bond_Stereo_Count	0
11677589	Covalent_Unit_Count	1
130394	Molecular_Weight	409.4
168076	Rotatable_Bond_Count	2
72941505	Hydrogen_Bond_Donor_Count	11
83079	Non-hydrogen_Atom_Count	20
154147714	Structure_Complexity	145
13739752	Covalent_Unit_Count	1
108424	Tautomer_Count	1
156592279	TPSA	145
60595	Mono_Isotopic_Weight	264.126263138
6321416	Defined_Bond_Stereo_Count	1
11286	Non-hydrogen_Atom_Count	16
11954226	Covalent_Unit_Count	1
10473	Molecular_Weight	81.54
129866077	Hydrogen_Bond_Donor_Count	11
6061	Undefined_Bond_Stereo_Count	0
13260750	Rotatable_Bond_Count	2
54679016	Molecular_Weight	373.5
17801140	Undefined_Bond_Stereo_Count	0
61503	Defined_Bond_Stereo_Count	0
5288193	Undefined_Bond_Stereo_Count	0
20309174	Molecular_Weight	94.11
6440871	Undefined_Bond_Stereo_Count	0
6183479	Exact_Mass	115.00313357
13348002	Mono_Isotopic_Weight	108.093900383
447364	Hydrogen_Bond_Donor_Count	2
54305717	Undefined_Atom_Stereo_Count	2
6618	Hydrogen_Bond_Donor_Count	2
32551	Exact_Mass	405.2034840
7938	Exact_Mass	108.068748264
69347980	Mono_Isotopic_Weight	476.1633482
164034646	Hydrogen_Bond_Donor_Count	1
122738	Structure_Complexity	925
642669	Exact_Mass	224.11609238
21835032	Rotatable_Bond_Count	0
2130	Molecular_Weight	151.25
72157	Non-hydrogen_Atom_Count	18
5478933	Mono_Isotopic_Weight	473.26381923
7664	Defined_Atom_Stereo_Count	0
5357179	Covalent_Unit_Count	1
91280177	TPSA	0
68527	Covalent_Unit_Count	1
85445	Molecular_Weight	214.64
53427	Defined_Atom_Stereo_Count	0
22226235	Defined_Atom_Stereo_Count	0
11732	Undefined_Atom_Stereo_Count	1
6151	TPSA	105
25271829	Undefined_Bond_Stereo_Count	0
53432	Molecular_Weight	250.34
7756	XLogP3-AA	1.5
59276	Total_Formal_Charge	0
3913	Defined_Atom_Stereo_Count	0
101267493	Non-hydrogen_Atom_Count	46
125556	Tautomer_Count	4
517985	Total_Formal_Charge	0
4886	Hydrogen_Bond_Donor_Count	0
406562	Non-hydrogen_Atom_Count	27
26038	Undefined_Atom_Stereo_Count	0
72693	Defined_Bond_Stereo_Count	0
6420378	Covalent_Unit_Count	1
55250378	Exact_Mass	176.03208797
139291730	Undefined_Bond_Stereo_Count	0
69968	Isotope_Atom_Count	0
22563	Total_Formal_Charge	0
21024274	Exact_Mass	118.099379685
8784	Rotatable_Bond_Count	2
14195455	XLogP3-AA	0.3
6890	Covalent_Unit_Count	1
10254	Mono_Isotopic_Weight	148.088815002
4678	Mono_Isotopic_Weight	205.13140809
898	Hydrogen_Bond_Acceptor_Count	9
413742	Total_Formal_Charge	0
65802	Undefined_Bond_Stereo_Count	0
325	XLogP3	2.3
6506221	TPSA	17.1
8747	Undefined_Atom_Stereo_Count	0
117814470	Total_Formal_Charge	0
180098	Defined_Atom_Stereo_Count	2
62235131	Rotatable_Bond_Count	3
91769	Tautomer_Count	2
87505	Defined_Atom_Stereo_Count	1
14416018	Structure_Complexity	115
5899	Mono_Isotopic_Weight	180.01466183
129700770	Isotope_Atom_Count	0
2159	Molecular_Weight	369.5
22160814	Hydrogen_Bond_Acceptor_Count	2
11569158	Hydrogen_Bond_Acceptor_Count	7
72207931	Defined_Atom_Stereo_Count	0
410702	Hydrogen_Bond_Acceptor_Count	2
614048	Total_Formal_Charge	0
66644	Defined_Atom_Stereo_Count	0
87280032	Total_Formal_Charge	0
7694	Undefined_Atom_Stereo_Count	0
5497186	Defined_Bond_Stereo_Count	0
31475	Mono_Isotopic_Weight	624.82054
73648	Undefined_Atom_Stereo_Count	0
564751	Undefined_Atom_Stereo_Count	0
5081	Exact_Mass	326.11273833
44249711	Defined_Atom_Stereo_Count	0
46780289	Covalent_Unit_Count	1
3573	XLogP3-AA	4.8
5898	Structure_Complexity	354
138442	Undefined_Atom_Stereo_Count	0
5280608	Total_Formal_Charge	0
3973	Covalent_Unit_Count	1
7409	XLogP3	1.4
12136363	Covalent_Unit_Count	1
123979022	Covalent_Unit_Count	1
71719268	Hydrogen_Bond_Donor_Count	2
32226	Undefined_Atom_Stereo_Count	0
107080	XLogP3-AA	5.9
71587119	Non-hydrogen_Atom_Count	40
13776191	Defined_Atom_Stereo_Count	0
13568501	TPSA	30.7
84361	Exact_Mass	308.11160159
89292361	Mono_Isotopic_Weight	100.100048391
7770	Defined_Atom_Stereo_Count	0
12478	Covalent_Unit_Count	1
59868328	XLogP3-AA	3.3
15707	Undefined_Atom_Stereo_Count	1
5281793	Isotope_Atom_Count	0
7701	Undefined_Atom_Stereo_Count	0
12754184	Mono_Isotopic_Weight	97.089149355
159627	Exact_Mass	279.98876
22641151	Mono_Isotopic_Weight	170.0862282
275933	Exact_Mass	119.073499291
4433698	TPSA	214
3037556	Hydrogen_Bond_Acceptor_Count	6
167305	Total_Formal_Charge	0
51049607	Structure_Complexity	422
16757521	Non-hydrogen_Atom_Count	28
5311426	Mono_Isotopic_Weight	534.26309096
5268	Undefined_Atom_Stereo_Count	1
51371222	TPSA	91.2
19693843	Exact_Mass	98.048012819
7020	Undefined_Atom_Stereo_Count	0
11741	Structure_Complexity	322
46485	Molecular_Weight	377.4
44134719	Non-hydrogen_Atom_Count	15
21487318	Isotope_Atom_Count	0
25203624	Mono_Isotopic_Weight	374.1457717
674188	Mono_Isotopic_Weight	333.11764973
5045307	Covalent_Unit_Count	1
73848	Structure_Complexity	216
65077	Defined_Bond_Stereo_Count	0
226832	Hydrogen_Bond_Donor_Count	2
135398638	Defined_Bond_Stereo_Count	0
70278898	Undefined_Bond_Stereo_Count	0
96291	Exact_Mass	158.167065321
29845	XLogP3	2.7
1360	Exact_Mass	308.1291556
70684820	Molecular_Weight	524.0
222073	Molecular_Weight	134.56
616765	Undefined_Atom_Stereo_Count	2
12616098	Molecular_Weight	102.13
12803	Molecular_Weight	164.25
21492261	Hydrogen_Bond_Donor_Count	1
9869776	Hydrogen_Bond_Acceptor_Count	10
53667164	Defined_Bond_Stereo_Count	0
230995	Exact_Mass	162.068079557
12213229	XLogP3-AA	3
92888	TPSA	46.2
15877745	XLogP3-AA	1.5
102752	XLogP3-AA	1.6
97597	Molecular_Weight	363.4
13601830	Isotope_Atom_Count	0
12423177	Hydrogen_Bond_Acceptor_Count	2
54572926	TPSA	53.5
10160238	Isotope_Atom_Count	0
22052176	Hydrogen_Bond_Donor_Count	1
2724235	Total_Formal_Charge	0
20849290	Structure_Complexity	154
24825265	XLogP3-AA	4.5
55011	Undefined_Bond_Stereo_Count	0
12243	Molecular_Weight	84.16
13490845	Total_Formal_Charge	0
521951	Rotatable_Bond_Count	10
12570	Structure_Complexity	90.7
136305612	Structure_Complexity	94
54726193	Tautomer_Count	1000
3084667	Defined_Bond_Stereo_Count	0
123539309	Hydrogen_Bond_Donor_Count	0
23269081	Defined_Atom_Stereo_Count	0
25154249	Defined_Bond_Stereo_Count	0
23263244	TPSA	18.5
14528850	Exact_Mass	112.088815002
21299381	Total_Formal_Charge	0
45511	Hydrogen_Bond_Donor_Count	0
33874	Defined_Bond_Stereo_Count	0
11213	Defined_Bond_Stereo_Count	0
59091406	Non-hydrogen_Atom_Count	24
132706	TPSA	98.1
6554040	Defined_Atom_Stereo_Count	3
441203	Structure_Complexity	7.6
140607	Hydrogen_Bond_Donor_Count	0
6452481	Hydrogen_Bond_Acceptor_Count	2
192197	Defined_Atom_Stereo_Count	2
119242	Hydrogen_Bond_Acceptor_Count	1
68081	Mono_Isotopic_Weight	270.08920892
12800099	Hydrogen_Bond_Acceptor_Count	7
85916	Undefined_Bond_Stereo_Count	1
76442017	Structure_Complexity	92.7
5282237	Tautomer_Count	3
71453559	Undefined_Atom_Stereo_Count	0
15266968	Exact_Mass	112.088815002
45112562	Molecular_Weight	249.29
15174357	Covalent_Unit_Count	1
22833317	Rotatable_Bond_Count	7
9861780	Hydrogen_Bond_Acceptor_Count	8
453077	Mono_Isotopic_Weight	220.100048391
16129710	Undefined_Bond_Stereo_Count	0
216249	Rotatable_Bond_Count	5
28187	Tautomer_Count	1
165075	Total_Formal_Charge	0
5364579	Exact_Mass	98.073164938
447905	Defined_Atom_Stereo_Count	0
20387241	Undefined_Atom_Stereo_Count	1
25244582	Hydrogen_Bond_Donor_Count	5
27350	Undefined_Bond_Stereo_Count	0
6322	Mono_Isotopic_Weight	174.11167570
5736	Defined_Atom_Stereo_Count	0
657073	Defined_Bond_Stereo_Count	0
71744	XLogP3-AA	3.1
57340467	Undefined_Atom_Stereo_Count	2
73877	Structure_Complexity	155
260859	Undefined_Bond_Stereo_Count	0
148466782	Hydrogen_Bond_Donor_Count	0
57292	Non-hydrogen_Atom_Count	19
13248942	Molecular_Weight	114.17
4513	Molecular_Weight	331.5
15575619	Molecular_Weight	752.9
141319360	Undefined_Atom_Stereo_Count	0
44392088	TPSA	69.3
82418987	Defined_Atom_Stereo_Count	0
139056	Exact_Mass	108.093900383
76049	Undefined_Bond_Stereo_Count	1
60848	Total_Formal_Charge	0
253762	Molecular_Weight	100.12
2951	Undefined_Bond_Stereo_Count	1
20146588	Hydrogen_Bond_Acceptor_Count	3
940002	Defined_Atom_Stereo_Count	0
122360911	Structure_Complexity	151
3103	Mono_Isotopic_Weight	281.177964357
5363097	Exact_Mass	252.245315640
519305	Covalent_Unit_Count	1
643964	Exact_Mass	890.49216046
22178220	Non-hydrogen_Atom_Count	15
80395	XLogP3-AA	1.6
29728	Hydrogen_Bond_Acceptor_Count	2
162059	Rotatable_Bond_Count	0
453077	Non-hydrogen_Atom_Count	17
26421	Defined_Bond_Stereo_Count	0
216345	Molecular_Weight	581.5
5284595	Exact_Mass	311.15214353
44629591	Non-hydrogen_Atom_Count	40
20726704	Hydrogen_Bond_Donor_Count	0
14281426	Mono_Isotopic_Weight	118.062994177
48548	XLogP3	2.3
87119	Total_Formal_Charge	0
10267191	Exact_Mass	307.00693
9886249	Rotatable_Bond_Count	1
53472153	Isotope_Atom_Count	0
283654	Structure_Complexity	496
131003005	Isotope_Atom_Count	0
23293193	Defined_Atom_Stereo_Count	0
131954782	Exact_Mass	1348.60159125
3243871	Undefined_Atom_Stereo_Count	1
6337677	Hydrogen_Bond_Donor_Count	3
306211	Mono_Isotopic_Weight	289.0505709
12635	Isotope_Atom_Count	0
84148	Structure_Complexity	86.5
135403647	TPSA	221
132082520	Molecular_Weight	108.14
90479422	Mono_Isotopic_Weight	293.11106656
24181146	TPSA	161
16213711	Covalent_Unit_Count	2
40657	Non-hydrogen_Atom_Count	26
11061	Hydrogen_Bond_Acceptor_Count	3
7699	Exact_Mass	603.36186151
40477	Molecular_Weight	395.3
9547215	Hydrogen_Bond_Acceptor_Count	4
659954	Molecular_Weight	235.28
124525065	Defined_Bond_Stereo_Count	0
31493	Covalent_Unit_Count	1
10589377	Mono_Isotopic_Weight	287.18120410
15266968	Non-hydrogen_Atom_Count	8
43371	Total_Formal_Charge	0
93227	Molecular_Weight	269.2
73742	TPSA	38.9
11476771	Rotatable_Bond_Count	5
9954082	Non-hydrogen_Atom_Count	29
52949543	Defined_Atom_Stereo_Count	1
62254	Covalent_Unit_Count	1
8194	Covalent_Unit_Count	1
68809	Tautomer_Count	1
135722088	TPSA	44.7
28145921	Structure_Complexity	123
16678407	Rotatable_Bond_Count	7
129834562	Isotope_Atom_Count	0
588860	Rotatable_Bond_Count	2
101534	TPSA	75.3
24848271	Molecular_Weight	256.36
5382104	Rotatable_Bond_Count	8
49862517	Defined_Bond_Stereo_Count	0
39521	Molecular_Weight	249.31
395450	Total_Formal_Charge	0
135412163	Non-hydrogen_Atom_Count	20
9815618	Defined_Bond_Stereo_Count	0
12475877	Defined_Bond_Stereo_Count	0
11178958	Rotatable_Bond_Count	1
17076	Isotope_Atom_Count	0
641627	Undefined_Atom_Stereo_Count	0
4743	Molecular_Weight	685.9
19428934	Undefined_Atom_Stereo_Count	0
95456	Undefined_Bond_Stereo_Count	0
1047	Defined_Atom_Stereo_Count	0
12434155	Hydrogen_Bond_Acceptor_Count	2
10006	Tautomer_Count	8
164868049	TPSA	9.2
15109	Tautomer_Count	1
25318	Isotope_Atom_Count	0
71415	Isotope_Atom_Count	0
135442	XLogP3-AA	2.3
46241268	Total_Formal_Charge	0
9848990	Rotatable_Bond_Count	5
10345214	Defined_Bond_Stereo_Count	0
11758093	Structure_Complexity	969
3823887	Structure_Complexity	1700
24917002	TPSA	148
103074361	Defined_Bond_Stereo_Count	0
9548634	Defined_Atom_Stereo_Count	5
897177	Structure_Complexity	501
60191	Non-hydrogen_Atom_Count	40
122081	Defined_Bond_Stereo_Count	0
24978601	Defined_Bond_Stereo_Count	1
24733	Isotope_Atom_Count	0
9230	Mono_Isotopic_Weight	117.057849228
18730	Hydrogen_Bond_Donor_Count	2
45488106	Mono_Isotopic_Weight	445.11618739
20312802	Isotope_Atom_Count	0
54760133	Molecular_Weight	405.4
73802	Hydrogen_Bond_Acceptor_Count	7
851390	Defined_Atom_Stereo_Count	0
64988	Undefined_Atom_Stereo_Count	0
93052	Hydrogen_Bond_Donor_Count	0
62949	Defined_Bond_Stereo_Count	0
17945614	Structure_Complexity	82.5
65752	Exact_Mass	287.105862047
3032536	Covalent_Unit_Count	3
5362527	Non-hydrogen_Atom_Count	14
25014598	Non-hydrogen_Atom_Count	35
31070	Tautomer_Count	2
6435507	Isotope_Atom_Count	0
93192	TPSA	49.3
68703149	Molecular_Weight	109.17
11317883	Molecular_Weight	493.5
1224	Hydrogen_Bond_Acceptor_Count	2
65490	XLogP3	3.7
13664	Covalent_Unit_Count	1
71317118	XLogP3-AA	0.2
54581630	Isotope_Atom_Count	0
320294	Non-hydrogen_Atom_Count	13
76852230	Hydrogen_Bond_Donor_Count	3
11199915	Molecular_Weight	382.5
10039700	XLogP3-AA	0.8
15309593	Mono_Isotopic_Weight	216.089877630
24963252	Molecular_Weight	504.23
12321786	XLogP3-AA	3
53898266	Rotatable_Bond_Count	2
242493	Defined_Bond_Stereo_Count	0
19847	Defined_Atom_Stereo_Count	0
107699	Rotatable_Bond_Count	8
16213711	Molecular_Weight	208.30
69365	Undefined_Bond_Stereo_Count	0
95616	Structure_Complexity	618
7907	Tautomer_Count	1
721938	Exact_Mass	299.01571
56658432	TPSA	89.4
71457147	Mono_Isotopic_Weight	468.15618111
85570	Covalent_Unit_Count	1
53895	Defined_Atom_Stereo_Count	0
25253556	TPSA	79.9
465069	Rotatable_Bond_Count	8
13463260	Defined_Atom_Stereo_Count	0
60870	Structure_Complexity	643
276389	Molecular_Weight	531.6
9142	Total_Formal_Charge	0
60198	Undefined_Atom_Stereo_Count	0
58594768	Molecular_Weight	180.16
89268685	Structure_Complexity	78.4
11955855	Hydrogen_Bond_Acceptor_Count	6
71406	Molecular_Weight	574.8
65351	Rotatable_Bond_Count	0
71721421	Isotope_Atom_Count	0
13766702	Molecular_Weight	564.7
71464685	Exact_Mass	478.24274944
21303152	Total_Formal_Charge	0
86122	TPSA	92.1
13146993	Defined_Atom_Stereo_Count	0
398596	Hydrogen_Bond_Acceptor_Count	3
81150	Isotope_Atom_Count	0
67713	Total_Formal_Charge	0
734884	Total_Formal_Charge	1
154478098	Defined_Bond_Stereo_Count	0
117899707	Exact_Mass	116.083729621
122445050	XLogP3-AA	3
93532990	Mono_Isotopic_Weight	93.032697108
23216963	Structure_Complexity	90.4
128814	Hydrogen_Bond_Acceptor_Count	6
53630039	Covalent_Unit_Count	1
92943	Isotope_Atom_Count	0
20874	Covalent_Unit_Count	1
23284	Rotatable_Bond_Count	9
61634	Undefined_Bond_Stereo_Count	0
2730	Covalent_Unit_Count	1
66587017	Mono_Isotopic_Weight	458.0553388
1582	Molecular_Weight	553.28
8204	Covalent_Unit_Count	1
48845	Undefined_Bond_Stereo_Count	0
7580	XLogP3	4.1
154517172	TPSA	3
5460504	Undefined_Atom_Stereo_Count	0
199855	TPSA	44
163781	Rotatable_Bond_Count	39
14295	XLogP3	2.4
74120	Tautomer_Count	1
2353	Undefined_Atom_Stereo_Count	0
1549062	Undefined_Atom_Stereo_Count	0
34757	Total_Formal_Charge	0
60044711	Non-hydrogen_Atom_Count	8
22081149	Total_Formal_Charge	0
52948154	Total_Formal_Charge	0
25142700	Defined_Atom_Stereo_Count	2
15004706	Hydrogen_Bond_Donor_Count	2
124222212	Total_Formal_Charge	0
105426935	Non-hydrogen_Atom_Count	7
17994055	TPSA	74.9
2725022	Structure_Complexity	339
3101	Hydrogen_Bond_Acceptor_Count	0
59933239	Defined_Bond_Stereo_Count	0
13531445	Molecular_Weight	101.10
6335487	Hydrogen_Bond_Acceptor_Count	7
101661938	Isotope_Atom_Count	0
44442139	Undefined_Bond_Stereo_Count	0
11741	TPSA	94.6
65689	Exact_Mass	424.20971797
18929959	Defined_Atom_Stereo_Count	0
35784	Defined_Atom_Stereo_Count	0
161111	Exact_Mass	307.21811509
56634286	Non-hydrogen_Atom_Count	8
5511	Hydrogen_Bond_Donor_Count	0
75184787	Undefined_Atom_Stereo_Count	1
24180709	Hydrogen_Bond_Donor_Count	4
46942	Exact_Mass	204.220163521
131750205	Total_Formal_Charge	0
37839	TPSA	34.1
141938919	Molecular_Weight	108.18
21585139	Structure_Complexity	0
20544	Molecular_Weight	162.28
12369	Defined_Bond_Stereo_Count	0
6680	Defined_Atom_Stereo_Count	0
62328	Defined_Atom_Stereo_Count	0
70421410	Total_Formal_Charge	0
45749	TPSA	570
28566812	Defined_Bond_Stereo_Count	0
25100740	Undefined_Atom_Stereo_Count	0
68629	Exact_Mass	266.0644474
123187306	Undefined_Atom_Stereo_Count	1
15951485	Undefined_Atom_Stereo_Count	1
11983	TPSA	17.1
3811100	Defined_Atom_Stereo_Count	0
5287855	Defined_Bond_Stereo_Count	1
12888377	Hydrogen_Bond_Donor_Count	0
84647665	Exact_Mass	112.063662883
51043	Isotope_Atom_Count	0
690109	Total_Formal_Charge	0
53856650	Mono_Isotopic_Weight	110.109550447
6359	Exact_Mass	161.86387
21851	Molecular_Weight	324.8
35136	Total_Formal_Charge	0
5364361	Rotatable_Bond_Count	0
5486209	Hydrogen_Bond_Donor_Count	2
6613	Defined_Atom_Stereo_Count	1
14179013	Mono_Isotopic_Weight	704.2393071
18442762	Defined_Atom_Stereo_Count	0
638024	Rotatable_Bond_Count	3
163276613	Defined_Atom_Stereo_Count	0
9574343	TPSA	70.6
398638	Defined_Bond_Stereo_Count	0
12228201	Undefined_Bond_Stereo_Count	0
5284443	Molecular_Weight	203.66
56841556	Hydrogen_Bond_Donor_Count	3
46832769	Mono_Isotopic_Weight	182.094294304
10446567	Total_Formal_Charge	0
3955599	Exact_Mass	124.99085481
73759973	Covalent_Unit_Count	1
39801	XLogP3	4
66051	Covalent_Unit_Count	1
24884773	Rotatable_Bond_Count	7
11768523	Undefined_Bond_Stereo_Count	0
5326971	Rotatable_Bond_Count	7
67656913	Mono_Isotopic_Weight	112.088815002
23724962	Mono_Isotopic_Weight	286.0832680
10079874	Covalent_Unit_Count	1
69532978	Exact_Mass	115.063328530
23692768	TPSA	118
90472770	Structure_Complexity	151
60574	Undefined_Atom_Stereo_Count	1
672296	Hydrogen_Bond_Donor_Count	0
10809009	Undefined_Atom_Stereo_Count	0
32607	Hydrogen_Bond_Donor_Count	1
15447	Defined_Atom_Stereo_Count	0
68938028	Rotatable_Bond_Count	8
3017320	Exact_Mass	96.093900383
15942892	TPSA	156
5361919	Defined_Bond_Stereo_Count	1
7659	TPSA	26.3
9861	Defined_Bond_Stereo_Count	0
62155	Hydrogen_Bond_Acceptor_Count	9
14284	Isotope_Atom_Count	0
6452127	Defined_Atom_Stereo_Count	4
11830	Structure_Complexity	202
37274	Molecular_Weight	325.79
23083536	Structure_Complexity	90.2
163798512	Mono_Isotopic_Weight	665.30474055
23269081	XLogP3-AA	2.2
14640738	TPSA	29.5
9266	Molecular_Weight	112.21
46909057	Isotope_Atom_Count	0
22169421	Exact_Mass	309.151749610
8250	Hydrogen_Bond_Acceptor_Count	7
689739	Hydrogen_Bond_Acceptor_Count	2
119432	Covalent_Unit_Count	1
11423563	Non-hydrogen_Atom_Count	7
101534	Undefined_Atom_Stereo_Count	1
77996	Hydrogen_Bond_Acceptor_Count	3
84866	Hydrogen_Bond_Acceptor_Count	3
87262	Hydrogen_Bond_Donor_Count	0
250074	Molecular_Weight	166.17
4350929	Tautomer_Count	1
25184868	Molecular_Weight	154.25
701	Total_Formal_Charge	0
165971	Isotope_Atom_Count	0
18377249	TPSA	26
15885752	Molecular_Weight	115.13
11332980	Defined_Bond_Stereo_Count	0
12962868	Structure_Complexity	98.4
82652	Defined_Atom_Stereo_Count	0
5009	Defined_Bond_Stereo_Count	0
17533	Total_Formal_Charge	0
149755	TPSA	163
640753	Non-hydrogen_Atom_Count	10
12699161	Mono_Isotopic_Weight	112.063662883
13315542	Rotatable_Bond_Count	1
14012	Hydrogen_Bond_Acceptor_Count	6
54171635	Undefined_Atom_Stereo_Count	1
12297	Hydrogen_Bond_Donor_Count	1
6950248	Total_Formal_Charge	0
443788	Undefined_Bond_Stereo_Count	0
72326	Defined_Atom_Stereo_Count	10
131110184	Non-hydrogen_Atom_Count	8
164877	Mono_Isotopic_Weight	357.220497874
70111342	Molecular_Weight	112.13
287	Isotope_Atom_Count	0
4040	Hydrogen_Bond_Donor_Count	2
1498	XLogP3-AA	3.7
10139173	Exact_Mass	419.1975695
103439594	Exact_Mass	110.084398327
5003059	Rotatable_Bond_Count	9
129689385	Total_Formal_Charge	0
400772	XLogP3-AA	1.4
57320831	Non-hydrogen_Atom_Count	244
11602	Defined_Atom_Stereo_Count	0
21407	Structure_Complexity	61.1
13042689	Non-hydrogen_Atom_Count	8
7030	Hydrogen_Bond_Donor_Count	0
18934227	Exact_Mass	99.032028402
93847	Hydrogen_Bond_Donor_Count	0
24891699	TPSA	80.2
207363	Tautomer_Count	1
11886769	TPSA	190
216210	Molecular_Weight	471.5
6918736	Covalent_Unit_Count	1
10882	Mono_Isotopic_Weight	130.099379685
44717198	Tautomer_Count	1
84063980	Defined_Bond_Stereo_Count	0
78241	Defined_Bond_Stereo_Count	0
8491	Mono_Isotopic_Weight	171.0087061
13738257	Mono_Isotopic_Weight	113.047678466
1728	Defined_Atom_Stereo_Count	0
56682411	Isotope_Atom_Count	0
54338696	Structure_Complexity	162
9804302	Exact_Mass	460.13379358
163501159	Covalent_Unit_Count	1
62705686	Defined_Bond_Stereo_Count	0
25116186	Non-hydrogen_Atom_Count	29
96382	Undefined_Atom_Stereo_Count	0
451239	Structure_Complexity	2
57392963	Rotatable_Bond_Count	6
20226563	Undefined_Atom_Stereo_Count	0
439168	Defined_Atom_Stereo_Count	1
11229	Total_Formal_Charge	0
18759351	XLogP3-AA	0.3
89223105	Defined_Atom_Stereo_Count	0
2734996	Rotatable_Bond_Count	0
12480	Undefined_Atom_Stereo_Count	0
10934636	Exact_Mass	274.04773803
59295969	XLogP3-AA	2.7
10857507	Non-hydrogen_Atom_Count	16
4125253	Rotatable_Bond_Count	11
87254	Hydrogen_Bond_Donor_Count	1
88024860	Covalent_Unit_Count	1
60196377	Non-hydrogen_Atom_Count	10
551249	Covalent_Unit_Count	1
90355769	Undefined_Bond_Stereo_Count	0
26945	Undefined_Bond_Stereo_Count	0
133728	Undefined_Bond_Stereo_Count	0
7669	Covalent_Unit_Count	1
46218908	Rotatable_Bond_Count	14
24860518	Covalent_Unit_Count	1
2545	Structure_Complexity	318
16197727	Rotatable_Bond_Count	51
57399142	Defined_Atom_Stereo_Count	0
627056	Exact_Mass	296.962730
123070	Non-hydrogen_Atom_Count	1
135071	Total_Formal_Charge	0
11547499	Defined_Atom_Stereo_Count	1
51051642	Mono_Isotopic_Weight	861.37829941
87446	Tautomer_Count	14
27775	Defined_Atom_Stereo_Count	0
2773621	Covalent_Unit_Count	1
87292009	Total_Formal_Charge	0
14990169	Exact_Mass	292.276615768
18705389	Undefined_Atom_Stereo_Count	1
758641	Isotope_Atom_Count	0
129628202	Structure_Complexity	1040
7493	Mono_Isotopic_Weight	167.02185764
439639	Molecular_Weight	666.6
125110	Undefined_Bond_Stereo_Count	0
5706540	Molecular_Weight	301.46
54692950	Exact_Mass	514.20636393
91447	Undefined_Bond_Stereo_Count	0
21935075	Mono_Isotopic_Weight	275.07964691
90884886	Non-hydrogen_Atom_Count	8
1519	Structure_Complexity	853
118210492	Defined_Atom_Stereo_Count	0
124769750	Molecular_Weight	284.35
12663409	Hydrogen_Bond_Acceptor_Count	0
278715	Hydrogen_Bond_Donor_Count	0
12416832	TPSA	122
10087661	Exact_Mass	324.0221037
4180	TPSA	138
5487713	Defined_Atom_Stereo_Count	0
13058242	Structure_Complexity	144
13478	Hydrogen_Bond_Acceptor_Count	9
117717939	Undefined_Bond_Stereo_Count	0
93095	Rotatable_Bond_Count	0
83517	Isotope_Atom_Count	0
95197	Exact_Mass	313.92647
66169	Hydrogen_Bond_Acceptor_Count	2
99564	XLogP3-AA	0.1
22353206	Structure_Complexity	100
22234	Isotope_Atom_Count	0
188966	Total_Formal_Charge	0
6453994	TPSA	29.1
107647	Tautomer_Count	1
8491	Undefined_Atom_Stereo_Count	0
13201	Tautomer_Count	1
23994	Undefined_Atom_Stereo_Count	0
11954	Exact_Mass	135.068413911
39912	Total_Formal_Charge	0
24699	Hydrogen_Bond_Acceptor_Count	4
435360	Covalent_Unit_Count	1
72684	TPSA	36.3
77050446	TPSA	32.6
69333672	Molecular_Weight	108.10
9603	Mono_Isotopic_Weight	110.053178385
3356885	Rotatable_Bond_Count	0
123555270	Mono_Isotopic_Weight	108.093900383
6558	Rotatable_Bond_Count	1
431630	Defined_Bond_Stereo_Count	0
581383	Hydrogen_Bond_Donor_Count	0
6857537	Defined_Atom_Stereo_Count	2
6002001	Non-hydrogen_Atom_Count	31
742	Undefined_Bond_Stereo_Count	0
9941306	Tautomer_Count	256
11007829	Total_Formal_Charge	0
136920	TPSA	34.1
5311047	Undefined_Atom_Stereo_Count	0
123336	Hydrogen_Bond_Donor_Count	0
10871	Hydrogen_Bond_Donor_Count	1
21635382	Undefined_Bond_Stereo_Count	0
23283068	Hydrogen_Bond_Acceptor_Count	0
89371029	Defined_Bond_Stereo_Count	0
51138321	Exact_Mass	106.053098200
129628999	Defined_Bond_Stereo_Count	3
70692775	Isotope_Atom_Count	0
12224	Non-hydrogen_Atom_Count	4
16642494	Isotope_Atom_Count	0
12625760	Structure_Complexity	74.2
122405298	Isotope_Atom_Count	0
155713	Undefined_Bond_Stereo_Count	0
6438331	Defined_Atom_Stereo_Count	2
9861	TPSA	20.2
106	Non-hydrogen_Atom_Count	11
43818	Structure_Complexity	372
954608	Total_Formal_Charge	0
3068840	Undefined_Bond_Stereo_Count	0
10953427	Isotope_Atom_Count	0
26334	Isotope_Atom_Count	0
7417	Covalent_Unit_Count	1
8766	Undefined_Atom_Stereo_Count	0
48918	Non-hydrogen_Atom_Count	20
160154	Rotatable_Bond_Count	2
12400482	Total_Formal_Charge	0
60196435	Non-hydrogen_Atom_Count	30
24287	Non-hydrogen_Atom_Count	5
2162	XLogP3	3
4448	Total_Formal_Charge	0
13639781	Hydrogen_Bond_Donor_Count	0
119072	Rotatable_Bond_Count	3
89138284	Undefined_Bond_Stereo_Count	0
1303	XLogP3	1
53466061	Structure_Complexity	650
2542	TPSA	40.5
139079484	Mono_Isotopic_Weight	617.991897
53387026	Exact_Mass	368.20346808
5509	Mono_Isotopic_Weight	257.10519334
56654130	Hydrogen_Bond_Donor_Count	0
3037160	Structure_Complexity	198
10350481	Hydrogen_Bond_Acceptor_Count	15
5362894	Covalent_Unit_Count	1
70694392	Mono_Isotopic_Weight	329.09241742
3661	Undefined_Bond_Stereo_Count	0
10689555	Non-hydrogen_Atom_Count	24
107697	XLogP3-AA	3.9
10127622	Covalent_Unit_Count	1
118984404	Hydrogen_Bond_Acceptor_Count	6
441130	Mono_Isotopic_Weight	383.15149208
3078952	Molecular_Weight	254.26
96327588	Defined_Atom_Stereo_Count	16
2354	Total_Formal_Charge	0
10833710	Hydrogen_Bond_Acceptor_Count	6
643681	Total_Formal_Charge	0
61151	Exact_Mass	166.062994177
15418402	Hydrogen_Bond_Donor_Count	1
5480	Hydrogen_Bond_Donor_Count	1
13037934	Undefined_Atom_Stereo_Count	2
13671	Molecular_Weight	181.15
14584	Isotope_Atom_Count	0
5254725	XLogP3-AA	1.9
24257	Structure_Complexity	163
163276613	Molecular_Weight	111.14
136091	Total_Formal_Charge	0
5484727	Total_Formal_Charge	0
464	Mono_Isotopic_Weight	179.058243149
15208263	Structure_Complexity	155
71458922	Molecular_Weight	462.6
642	Hydrogen_Bond_Donor_Count	9
131430882	Defined_Bond_Stereo_Count	0
2757748	Non-hydrogen_Atom_Count	12
5460765	Isotope_Atom_Count	0
15604	Tautomer_Count	1
57398150	Defined_Atom_Stereo_Count	1
71384614	Defined_Bond_Stereo_Count	0
13244862	Isotope_Atom_Count	0
16760	Undefined_Atom_Stereo_Count	0
21059	Mono_Isotopic_Weight	140.047344113
137606	Hydrogen_Bond_Donor_Count	0
575802	Hydrogen_Bond_Donor_Count	2
3516	Hydrogen_Bond_Acceptor_Count	4
100308	Molecular_Weight	338.98
8508	Rotatable_Bond_Count	9
16212966	Molecular_Weight	181.15
9085	Undefined_Atom_Stereo_Count	0
67503	Isotope_Atom_Count	0
44629525	XLogP3-AA	5.6
257761	Covalent_Unit_Count	1
54558427	Exact_Mass	112.016043985
102678	Total_Formal_Charge	0
82646	Molecular_Weight	260.9
26117	Undefined_Atom_Stereo_Count	0
242722	Molecular_Weight	111.12
12358851	TPSA	129
144686955	Structure_Complexity	382
35805	Defined_Atom_Stereo_Count	2
10887879	Hydrogen_Bond_Donor_Count	2
79014	Defined_Bond_Stereo_Count	0
140765	Structure_Complexity	93.7
102429819	TPSA	40.5
88406	Undefined_Atom_Stereo_Count	0
71323382	Rotatable_Bond_Count	0
13132266	Defined_Bond_Stereo_Count	0
25608	TPSA	0
295275	Undefined_Atom_Stereo_Count	0
12268621	Undefined_Bond_Stereo_Count	0
20890	Tautomer_Count	5
447626	Hydrogen_Bond_Acceptor_Count	1
41541	Total_Formal_Charge	0
9356	Mono_Isotopic_Weight	337.17366682
4008	XLogP3	5.6
53796229	Hydrogen_Bond_Acceptor_Count	2
56765705	Hydrogen_Bond_Donor_Count	1
443403	Undefined_Atom_Stereo_Count	0
443380	Undefined_Bond_Stereo_Count	0
9678	Defined_Atom_Stereo_Count	0
76285	Isotope_Atom_Count	0
32731	Exact_Mass	336.04706368
4111	Hydrogen_Bond_Acceptor_Count	3
21584147	Mono_Isotopic_Weight	100.063662883
65708	Molecular_Weight	190.20
5462507	Non-hydrogen_Atom_Count	24
64061	Undefined_Bond_Stereo_Count	0
130993429	Covalent_Unit_Count	1
115236	Covalent_Unit_Count	1
11355437	Non-hydrogen_Atom_Count	5
74754	Structure_Complexity	396
54691185	XLogP3-AA	0.9
129635186	Defined_Bond_Stereo_Count	0
10276115	Hydrogen_Bond_Donor_Count	1
13756235	Exact_Mass	83.073499291
63989	Defined_Atom_Stereo_Count	0
25104740	Hydrogen_Bond_Acceptor_Count	10
128913	Tautomer_Count	1
90898717	Covalent_Unit_Count	1
141427445	Hydrogen_Bond_Donor_Count	0
8987	Isotope_Atom_Count	0
14528851	Molecular_Weight	112.17
11062335	Covalent_Unit_Count	1
65583	Exact_Mass	421.971390
73154880	Exact_Mass	364.041132
5102582	Undefined_Atom_Stereo_Count	1
410087	Hydrogen_Bond_Acceptor_Count	1
29352	Structure_Complexity	95.7
59502	Molecular_Weight	340.5
23667636	Defined_Atom_Stereo_Count	0
1721	Mono_Isotopic_Weight	290.11140092
68236666	Undefined_Bond_Stereo_Count	0
81882	Covalent_Unit_Count	1
23264402	Covalent_Unit_Count	1
26721	Hydrogen_Bond_Acceptor_Count	5
24848212	Defined_Atom_Stereo_Count	0
11315250	Isotope_Atom_Count	0
21528538	Total_Formal_Charge	0
86018330	Mono_Isotopic_Weight	92.062600255
68289010	Undefined_Atom_Stereo_Count	0
123642	Undefined_Atom_Stereo_Count	2
7741	Mono_Isotopic_Weight	111.079647300
45375808	Mono_Isotopic_Weight	529.16254467
46945256	Defined_Atom_Stereo_Count	0
7327	Hydrogen_Bond_Acceptor_Count	3
4353	XLogP3-AA	0.1
13075	Mono_Isotopic_Weight	240.11817103
98306	Structure_Complexity	184
10276962	XLogP3-AA	4.3
22418719	Covalent_Unit_Count	2
135659024	Total_Formal_Charge	0
54225123	XLogP3-AA	1.2
89986047	Undefined_Atom_Stereo_Count	0
10881	Hydrogen_Bond_Acceptor_Count	1
135413525	Non-hydrogen_Atom_Count	18
34829729	Structure_Complexity	659
115087054	Covalent_Unit_Count	1
12815387	Exact_Mass	85.052763847
36582	Hydrogen_Bond_Donor_Count	0
61973	Total_Formal_Charge	0
71317094	Mono_Isotopic_Weight	193.12745433
641496	Molecular_Weight	101.10
9447	Tautomer_Count	4
14923671	Structure_Complexity	94.6
644020	XLogP3-AA	2.5
95428	Undefined_Atom_Stereo_Count	1
66383	Exact_Mass	541.23455300
137295275	Isotope_Atom_Count	0
11088	Non-hydrogen_Atom_Count	24
16759310	Defined_Atom_Stereo_Count	0
410	Isotope_Atom_Count	0
18600	Non-hydrogen_Atom_Count	22
6611744	Undefined_Atom_Stereo_Count	0
33599	Hydrogen_Bond_Acceptor_Count	4
92722	XLogP3-AA	1.3
2735228	Non-hydrogen_Atom_Count	8
214347	Structure_Complexity	452
154561905	Undefined_Atom_Stereo_Count	1
4597	Undefined_Bond_Stereo_Count	0
18694330	Undefined_Atom_Stereo_Count	0
8287	Hydrogen_Bond_Acceptor_Count	0
21026	Isotope_Atom_Count	0
20526784	Isotope_Atom_Count	0
101609	Defined_Atom_Stereo_Count	4
6450173	Hydrogen_Bond_Donor_Count	3
5462928	Hydrogen_Bond_Donor_Count	0
61996	Rotatable_Bond_Count	6
19756	Non-hydrogen_Atom_Count	14
10877083	Structure_Complexity	101
72921	XLogP3	0.1
6440178	XLogP3-AA	2
23552407	Total_Formal_Charge	0
17795	Exact_Mass	136.125200510
8408	Undefined_Bond_Stereo_Count	0
7366	Undefined_Atom_Stereo_Count	0
5040	Undefined_Bond_Stereo_Count	4
22314	Hydrogen_Bond_Donor_Count	1
3770	Molecular_Weight	768.5
2733279	Hydrogen_Bond_Acceptor_Count	3
10282517	TPSA	145
44590341	Mono_Isotopic_Weight	476.21113557
6326969	Hydrogen_Bond_Donor_Count	0
40566100	Defined_Bond_Stereo_Count	0
123359989	Undefined_Atom_Stereo_Count	0
141697522	TPSA	110
57398253	Structure_Complexity	663
86187	Rotatable_Bond_Count	2
24180884	Isotope_Atom_Count	0
16048622	Undefined_Bond_Stereo_Count	0
18368760	Rotatable_Bond_Count	2
64772	Total_Formal_Charge	0
5287736	Undefined_Bond_Stereo_Count	0
6257	Covalent_Unit_Count	1
80296	Undefined_Bond_Stereo_Count	0
142906448	Undefined_Atom_Stereo_Count	1
2042	XLogP3	1.7
1476679	Rotatable_Bond_Count	4
65013	Mono_Isotopic_Weight	302.16304257
517000	Exact_Mass	388.07290741
54125476	Total_Formal_Charge	0
11608786	Covalent_Unit_Count	1
1808	Undefined_Atom_Stereo_Count	0
476	Isotope_Atom_Count	0
55509	TPSA	76
4622	Covalent_Unit_Count	1
9797055	Total_Formal_Charge	0
137784	Structure_Complexity	82
5493444	Mono_Isotopic_Weight	551.39343642
38012	Non-hydrogen_Atom_Count	17
636405	Structure_Complexity	1270
137674	Exact_Mass	85.052763847
448055	Defined_Bond_Stereo_Count	0
53641353	Hydrogen_Bond_Donor_Count	0
13311642	Structure_Complexity	52
33309	Hydrogen_Bond_Acceptor_Count	5
2065	Defined_Atom_Stereo_Count	0
123888456	Molecular_Weight	109.17
47183	Covalent_Unit_Count	2
70697507	Defined_Bond_Stereo_Count	0
22015	Undefined_Bond_Stereo_Count	0
12097423	Hydrogen_Bond_Acceptor_Count	2
14505	Isotope_Atom_Count	0
88734521	Undefined_Atom_Stereo_Count	2
6975516	Isotope_Atom_Count	0
9970626	Structure_Complexity	304
26442	TPSA	38.3
21019405	Covalent_Unit_Count	1
71584930	Exact_Mass	509.08627
9867812	Structure_Complexity	601
98306	Covalent_Unit_Count	1
10887868	Isotope_Atom_Count	0
44414728	Molecular_Weight	380.8
114681	Structure_Complexity	105
31186	Structure_Complexity	486
6857537	Molecular_Weight	212.29
56609761	Defined_Atom_Stereo_Count	0
44755151	Hydrogen_Bond_Donor_Count	3
9524	Structure_Complexity	46.5
639391	Total_Formal_Charge	0
3034043	Structure_Complexity	395
12812295	Covalent_Unit_Count	1
13587089	Defined_Bond_Stereo_Count	0
25272039	Undefined_Atom_Stereo_Count	0
7133	TPSA	3.9
19017814	Hydrogen_Bond_Donor_Count	1
87869	Defined_Atom_Stereo_Count	2
7161	TPSA	35.5
23677323	Structure_Complexity	220
639102	Isotope_Atom_Count	0
124080868	Structure_Complexity	2070
57202251	Undefined_Atom_Stereo_Count	1
590	Rotatable_Bond_Count	3
4630	Structure_Complexity	293
447029	Undefined_Bond_Stereo_Count	0
25273237	Mono_Isotopic_Weight	389.20764703
151062	Isotope_Atom_Count	0
22234	Hydrogen_Bond_Donor_Count	2
35758	Defined_Atom_Stereo_Count	0
7897	Mono_Isotopic_Weight	88.052429494
3034645	Defined_Atom_Stereo_Count	0
14957	Non-hydrogen_Atom_Count	39
3307	Rotatable_Bond_Count	2
53879576	Covalent_Unit_Count	1
5281168	Hydrogen_Bond_Acceptor_Count	1
44401271	Undefined_Atom_Stereo_Count	0
5284557	TPSA	37.3
51081	Defined_Atom_Stereo_Count	0
12184311	Exact_Mass	436.09251851
123147	Rotatable_Bond_Count	0
2526	Hydrogen_Bond_Acceptor_Count	6
11344362	Non-hydrogen_Atom_Count	12
115260	Hydrogen_Bond_Donor_Count	5
53667577	Structure_Complexity	109
18730068	Hydrogen_Bond_Acceptor_Count	0
15324722	Undefined_Bond_Stereo_Count	0
16682839	Defined_Bond_Stereo_Count	0
915880	Molecular_Weight	303.4
163853278	XLogP3-AA	0.7
630689	Mono_Isotopic_Weight	336.183778013
32427	Covalent_Unit_Count	1
53845104	Mono_Isotopic_Weight	87.043261792
4051	Exact_Mass	373.01669250
7755	XLogP3-AA	1.6
624	Undefined_Atom_Stereo_Count	3
12031	Total_Formal_Charge	0
6254	XLogP3-AA	2.7
10497540	XLogP3-AA	0.7
5281804	Isotope_Atom_Count	0
80434	Defined_Bond_Stereo_Count	0
42609610	Tautomer_Count	11
154544	Mono_Isotopic_Weight	231.08954328
11990	Rotatable_Bond_Count	0
87074	TPSA	20.2
71346	Isotope_Atom_Count	0
16750192	TPSA	52.6
575893	Hydrogen_Bond_Acceptor_Count	3
71873	Undefined_Bond_Stereo_Count	0
752163	Rotatable_Bond_Count	7
13438404	Rotatable_Bond_Count	1
151246	Structure_Complexity	386
65063	Mono_Isotopic_Weight	308.04095237
28213	Undefined_Bond_Stereo_Count	0
71777	Tautomer_Count	5
2734086	Molecular_Weight	446.7
20872204	Defined_Bond_Stereo_Count	0
75554	Defined_Atom_Stereo_Count	0
44134815	Hydrogen_Bond_Donor_Count	5
129811232	Undefined_Atom_Stereo_Count	0
60155459	Total_Formal_Charge	0
15301081	Undefined_Bond_Stereo_Count	0
41428	Undefined_Bond_Stereo_Count	0
445319	Non-hydrogen_Atom_Count	7
13611195	TPSA	0
5463081	Exact_Mass	120.093900383
15430	Defined_Bond_Stereo_Count	0
121945	Structure_Complexity	561
49248	Non-hydrogen_Atom_Count	16
31620	Molecular_Weight	548.6
68057	Non-hydrogen_Atom_Count	13
6918405	Rotatable_Bond_Count	9
70683750	Covalent_Unit_Count	1
5846454	Undefined_Atom_Stereo_Count	0
9796408	Undefined_Bond_Stereo_Count	0
30819	Covalent_Unit_Count	1
641294	Exact_Mass	162.068079557
12082850	Defined_Bond_Stereo_Count	1
22608833	Non-hydrogen_Atom_Count	5
69333782	Undefined_Bond_Stereo_Count	0
224844	Exact_Mass	126.104465066
178134	Rotatable_Bond_Count	4
39801	Total_Formal_Charge	0
12673	Molecular_Weight	161.95
90936519	Mono_Isotopic_Weight	1201.84136802
23948	Rotatable_Bond_Count	0
70695616	Exact_Mass	6608.9973268
53245830	Hydrogen_Bond_Acceptor_Count	3
3593	Mono_Isotopic_Weight	302.07903816
168131	Defined_Atom_Stereo_Count	0
9877357	Undefined_Bond_Stereo_Count	0
7525	Structure_Complexity	59.5
23236224	Undefined_Bond_Stereo_Count	0
289460	Defined_Bond_Stereo_Count	0
4283	Defined_Atom_Stereo_Count	0
651720	Total_Formal_Charge	0
132939819	Mono_Isotopic_Weight	181.06674293
7577	Structure_Complexity	157
130232326	Hydrogen_Bond_Acceptor_Count	5
6433101	XLogP3-AA	4.5
8797	Mono_Isotopic_Weight	150.068079557
342403	Exact_Mass	137.047678466
44418576	Structure_Complexity	346
90845	Hydrogen_Bond_Acceptor_Count	0
138286	Hydrogen_Bond_Donor_Count	0
40898	XLogP3-AA	0.8
93884	Non-hydrogen_Atom_Count	13
3384	Rotatable_Bond_Count	1
3823887	Undefined_Bond_Stereo_Count	0
9900	Exact_Mass	364.20498756
134688154	TPSA	63.6
90488724	Mono_Isotopic_Weight	1671.90967533
5459318	Molecular_Weight	525.6
548787	Structure_Complexity	127
53869158	Undefined_Atom_Stereo_Count	0
324081	Exact_Mass	221.095297364
2596	Undefined_Atom_Stereo_Count	0
12787246	Undefined_Bond_Stereo_Count	0
75905	Isotope_Atom_Count	0
641001	Defined_Atom_Stereo_Count	0
21161643	Defined_Bond_Stereo_Count	0
87452348	Undefined_Atom_Stereo_Count	0
53323370	Exact_Mass	498.1113126
91759	Isotope_Atom_Count	0
9933991	Non-hydrogen_Atom_Count	3
2763760	Structure_Complexity	138
10953443	Mono_Isotopic_Weight	107.048347172
5781	Defined_Bond_Stereo_Count	0
21498	XLogP3-AA	0.4
49867938	Structure_Complexity	2330
72281	Covalent_Unit_Count	1
595926	Covalent_Unit_Count	1
174341	Hydrogen_Bond_Acceptor_Count	2
10654193	Hydrogen_Bond_Acceptor_Count	2
5284538	Covalent_Unit_Count	1
168625	Non-hydrogen_Atom_Count	12
1649	Rotatable_Bond_Count	0
45467	Defined_Atom_Stereo_Count	0
62774675	Hydrogen_Bond_Donor_Count	0
54303301	Covalent_Unit_Count	1
698931	Undefined_Atom_Stereo_Count	0
65263	Mono_Isotopic_Weight	622.44478003
5887	TPSA	31.8
5284518	Covalent_Unit_Count	1
31222	Hydrogen_Bond_Acceptor_Count	2
123334	Molecular_Weight	36.006
24906273	Exact_Mass	257.02589765
8432	Structure_Complexity	160
11525116	Hydrogen_Bond_Donor_Count	2
70819549	Undefined_Atom_Stereo_Count	0
4011971	Hydrogen_Bond_Donor_Count	1
75923	TPSA	0
6028739	XLogP3-AA	1.2
18323753	Exact_Mass	108.032362755
24972883	Defined_Bond_Stereo_Count	0
139075879	Defined_Atom_Stereo_Count	0
41017	Covalent_Unit_Count	1
12023	Hydrogen_Bond_Donor_Count	1
18170	Mono_Isotopic_Weight	149.02992040
3081905	Exact_Mass	1384.72384215
6093219	Molecular_Weight	339.5
69135	Hydrogen_Bond_Donor_Count	2
31803	Isotope_Atom_Count	0
45358438	Total_Formal_Charge	0
13511141	Isotope_Atom_Count	0
65114	Exact_Mass	244.08076950
15365	Covalent_Unit_Count	1
18506394	Non-hydrogen_Atom_Count	8
91465	TPSA	20.2
1289	Mono_Isotopic_Weight	349.20015635
68842	Tautomer_Count	4
81561	Hydrogen_Bond_Donor_Count	0
3742	Rotatable_Bond_Count	10
8579	XLogP3-AA	4.3
3041260	Molecular_Weight	350.5
5329020	Undefined_Bond_Stereo_Count	0
129691409	Undefined_Atom_Stereo_Count	0
5167	TPSA	140
72038	TPSA	31.9
11782763	Undefined_Bond_Stereo_Count	0
68793	Undefined_Bond_Stereo_Count	0
45780	Rotatable_Bond_Count	1
546453	Exact_Mass	494.2235301
6971070	Undefined_Bond_Stereo_Count	0
74041114	Rotatable_Bond_Count	1
441476	Covalent_Unit_Count	1
405298	Covalent_Unit_Count	1
33899	Total_Formal_Charge	0
73216	Isotope_Atom_Count	0
2130404	Covalent_Unit_Count	1
24749711	Covalent_Unit_Count	1
85743571	Molecular_Weight	110.20
5287	Covalent_Unit_Count	1
10108830	XLogP3-AA	1.7
76736	TPSA	0
89053264	TPSA	26
18314227	Non-hydrogen_Atom_Count	7
6662	Rotatable_Bond_Count	3
134715456	Non-hydrogen_Atom_Count	29
3003191	Defined_Bond_Stereo_Count	0
7053	Rotatable_Bond_Count	0
165746	Undefined_Atom_Stereo_Count	0
13708	Defined_Atom_Stereo_Count	0
71430	Non-hydrogen_Atom_Count	17
46783795	Defined_Bond_Stereo_Count	0
10011883	Non-hydrogen_Atom_Count	8
17875436	Hydrogen_Bond_Acceptor_Count	2
593369	Covalent_Unit_Count	1
50980	Hydrogen_Bond_Donor_Count	0
54388248	Undefined_Atom_Stereo_Count	1
9815576	Hydrogen_Bond_Acceptor_Count	7
133612499	Undefined_Bond_Stereo_Count	0
98458	Total_Formal_Charge	0
118121642	Molecular_Weight	110.11
145784171	Hydrogen_Bond_Acceptor_Count	5
23668197	Tautomer_Count	1
570603	Molecular_Weight	106.13
136253316	Total_Formal_Charge	1
14671580	Molecular_Weight	114.19
22889103	Non-hydrogen_Atom_Count	7
839	Exact_Mass	163.04807239
11182575	Mono_Isotopic_Weight	98.073164938
851992	Exact_Mass	340.1454744
6442778	TPSA	57.5
3906779	Defined_Atom_Stereo_Count	0
319344	Rotatable_Bond_Count	13
9818919	Exact_Mass	331.06920175
16441	Isotope_Atom_Count	0
60169	Hydrogen_Bond_Donor_Count	0
58173	Structure_Complexity	348
11013485	Tautomer_Count	1
72200670	Isotope_Atom_Count	0
139062656	Undefined_Atom_Stereo_Count	0
3040551	Total_Formal_Charge	0
87469572	Covalent_Unit_Count	1
5395	Rotatable_Bond_Count	0
7845	Undefined_Atom_Stereo_Count	0
24825268	Undefined_Bond_Stereo_Count	0
146779553	Undefined_Bond_Stereo_Count	0
72199429	Mono_Isotopic_Weight	605.27395051
12474173	Defined_Atom_Stereo_Count	0
97735	Isotope_Atom_Count	0
5311	Tautomer_Count	12
44455045	Hydrogen_Bond_Acceptor_Count	12
22314	Covalent_Unit_Count	1
20591	Undefined_Atom_Stereo_Count	0
482604	Covalent_Unit_Count	1
38945	Total_Formal_Charge	0
59296081	Total_Formal_Charge	0
71	Hydrogen_Bond_Acceptor_Count	5
104677	Hydrogen_Bond_Donor_Count	1
3442	Molecular_Weight	179.22
5319022	Mono_Isotopic_Weight	190.099379685
8805	Covalent_Unit_Count	1
135566371	TPSA	123
5311333	TPSA	241
2559	Undefined_Bond_Stereo_Count	0
6266	Isotope_Atom_Count	0
5352728	XLogP3-AA	3.3
62856	Molecular_Weight	128.13
159630	Rotatable_Bond_Count	5
7016383	TPSA	89.6
45788576	Isotope_Atom_Count	0
12977	XLogP3-AA	0.3
21698764	XLogP3-AA	1.2
67691	Undefined_Atom_Stereo_Count	0
694638	Non-hydrogen_Atom_Count	23
10909502	Covalent_Unit_Count	1
31553	Mono_Isotopic_Weight	482.12129689
13582607	Defined_Atom_Stereo_Count	0
542882	Defined_Atom_Stereo_Count	0
11976	Tautomer_Count	1
4793	TPSA	105
87565291	Undefined_Bond_Stereo_Count	0
81846	Isotope_Atom_Count	0
71544786	Total_Formal_Charge	0
56963	Defined_Atom_Stereo_Count	0
119097293	Covalent_Unit_Count	1
73425158	Hydrogen_Bond_Acceptor_Count	1
3199	Tautomer_Count	153
69826668	Undefined_Atom_Stereo_Count	0
2734664	Exact_Mass	140.065741536
7949	Isotope_Atom_Count	0
2866	Isotope_Atom_Count	0
644131	Rotatable_Bond_Count	21
77843966	Structure_Complexity	1440
12701621	Molecular_Weight	119.12
3081905	Tautomer_Count	1
176870	Total_Formal_Charge	0
118210452	Isotope_Atom_Count	0
60196319	Defined_Atom_Stereo_Count	1
2058	Non-hydrogen_Atom_Count	24
69512	Mono_Isotopic_Weight	366.0506305
439507	Isotope_Atom_Count	0
101925253	Hydrogen_Bond_Acceptor_Count	18
102601697	Total_Formal_Charge	0
5460044	Covalent_Unit_Count	1
64402	Tautomer_Count	1
53321481	Covalent_Unit_Count	1
7732	Rotatable_Bond_Count	1
47932	Covalent_Unit_Count	3
398738	Non-hydrogen_Atom_Count	17
19349	Rotatable_Bond_Count	2
10774245	Undefined_Bond_Stereo_Count	0
625230	Tautomer_Count	2
427	Undefined_Atom_Stereo_Count	2
90713931	Structure_Complexity	2330
1971	Isotope_Atom_Count	0
134692726	Hydrogen_Bond_Donor_Count	0
81531	Hydrogen_Bond_Acceptor_Count	1
53346581	Defined_Atom_Stereo_Count	0
135449518	Hydrogen_Bond_Acceptor_Count	5
135445165	Undefined_Atom_Stereo_Count	0
11597	Undefined_Atom_Stereo_Count	0
50932059	Hydrogen_Bond_Acceptor_Count	9
52997	Isotope_Atom_Count	0
1135	Total_Formal_Charge	0
154209129	Defined_Atom_Stereo_Count	0
31140	Defined_Bond_Stereo_Count	0
92139	Non-hydrogen_Atom_Count	15
16686268	Total_Formal_Charge	0
121492767	Total_Formal_Charge	0
89036	TPSA	66.4
11457675	XLogP3-AA	0.7
88740	Defined_Bond_Stereo_Count	0
63546	Structure_Complexity	827
270901	Undefined_Atom_Stereo_Count	0
70695705	Hydrogen_Bond_Acceptor_Count	10
15308711	Rotatable_Bond_Count	17
364849	Undefined_Bond_Stereo_Count	0
3035235	Molecular_Weight	341.4
123716071	Exact_Mass	110.073164938
138106574	XLogP3-AA	2.1
27888	Undefined_Bond_Stereo_Count	0
43834223	Hydrogen_Bond_Donor_Count	2
10157484	Mono_Isotopic_Weight	394.22564282
1283	Undefined_Bond_Stereo_Count	0
79127	Mono_Isotopic_Weight	108.093900383
91666359	Hydrogen_Bond_Acceptor_Count	9
12088	Isotope_Atom_Count	0
7276	Structure_Complexity	94.7
3011527	TPSA	91.7
14069104	Isotope_Atom_Count	0
9995195	Structure_Complexity	427
20433	TPSA	63.5
21537113	Structure_Complexity	98.2
129307545	Defined_Bond_Stereo_Count	1
67045	Mono_Isotopic_Weight	284.01030715
17942383	TPSA	28.7
4271	Non-hydrogen_Atom_Count	31
636908	Covalent_Unit_Count	1
11513929	TPSA	46.2
4944	Defined_Bond_Stereo_Count	0
10176115	Non-hydrogen_Atom_Count	8
33733	Covalent_Unit_Count	1
20996	XLogP3	8.5
6443047	Total_Formal_Charge	0
24180875	Isotope_Atom_Count	0
54511	Undefined_Atom_Stereo_Count	0
5459973	XLogP3-AA	1.9
62281	Isotope_Atom_Count	0
846942	Isotope_Atom_Count	0
11374	Mono_Isotopic_Weight	145.052763847
69591	Hydrogen_Bond_Donor_Count	1
5375048	Defined_Atom_Stereo_Count	0
994868	Molecular_Weight	535.6
89663	Isotope_Atom_Count	0
2795115	Undefined_Atom_Stereo_Count	0
9899007	Undefined_Atom_Stereo_Count	0
128605	Defined_Bond_Stereo_Count	0
13469816	Tautomer_Count	1
3720192	Undefined_Atom_Stereo_Count	0
170231	Undefined_Atom_Stereo_Count	0
4146595	Defined_Atom_Stereo_Count	0
9811493	Hydrogen_Bond_Donor_Count	5
102063093	TPSA	29.5
68036	Rotatable_Bond_Count	0
102447463	TPSA	110
318	Undefined_Bond_Stereo_Count	1
53401340	Molecular_Weight	98.10
51683431	Exact_Mass	342.11621151
5287851	Molecular_Weight	315.41
34328	Structure_Complexity	636
5281074	Exact_Mass	489.33016746
86380	Molecular_Weight	197.23
9936727	Exact_Mass	527.27304650
2763750	Undefined_Bond_Stereo_Count	0
10909501	Exact_Mass	100.052429494
45086609	Total_Formal_Charge	0
5748361	Hydrogen_Bond_Acceptor_Count	8
68081	Defined_Bond_Stereo_Count	0
89990549	Molecular_Weight	103.12
71462510	Isotope_Atom_Count	0
66587032	Molecular_Weight	424.4
60785	TPSA	52.2
12231382	Non-hydrogen_Atom_Count	8
11565240	Structure_Complexity	457
387179	Non-hydrogen_Atom_Count	10
76336793	Undefined_Bond_Stereo_Count	0
22058225	Undefined_Atom_Stereo_Count	2
22218081	Non-hydrogen_Atom_Count	12
1415	Total_Formal_Charge	0
30773	Undefined_Bond_Stereo_Count	0
148124	Covalent_Unit_Count	1
2734680	Hydrogen_Bond_Donor_Count	0
153442	Total_Formal_Charge	0
99010	Isotope_Atom_Count	0
154655788	Defined_Atom_Stereo_Count	0
44309990	Structure_Complexity	431
124992	Tautomer_Count	2
3033821	Molecular_Weight	335.4
11505444	Mono_Isotopic_Weight	617.25595715
59059041	Hydrogen_Bond_Acceptor_Count	3
11244031	Structure_Complexity	777
622923	XLogP3-AA	4.5
16183	Defined_Bond_Stereo_Count	0
15561463	Structure_Complexity	62.7
4816	Tautomer_Count	1
18223	Structure_Complexity	34.6
12376	Hydrogen_Bond_Acceptor_Count	4
1201479	Exact_Mass	100.063662883
21339024	Covalent_Unit_Count	1
18999023	Hydrogen_Bond_Donor_Count	1
13803506	Undefined_Atom_Stereo_Count	0
671214	Total_Formal_Charge	0
68195	Hydrogen_Bond_Donor_Count	2
41545	Total_Formal_Charge	0
123924	TPSA	36
135459971	Hydrogen_Bond_Donor_Count	4
8107	Non-hydrogen_Atom_Count	7
12193680	Undefined_Bond_Stereo_Count	0
135398645	Isotope_Atom_Count	0
43466	Defined_Bond_Stereo_Count	0
405298	Molecular_Weight	366.31
87646	TPSA	20.2
60196401	Total_Formal_Charge	0
12201381	Mono_Isotopic_Weight	99.043261792
54886	TPSA	93.6
14818447	Mono_Isotopic_Weight	121.93478
25015	Defined_Atom_Stereo_Count	4
131170	Isotope_Atom_Count	0
6419707	Non-hydrogen_Atom_Count	22
28961	Rotatable_Bond_Count	0
17700	Defined_Atom_Stereo_Count	0
675587	Undefined_Atom_Stereo_Count	0
85626	Total_Formal_Charge	0
3859614	Isotope_Atom_Count	0
17380	Defined_Atom_Stereo_Count	0
65999	Covalent_Unit_Count	1
48040	Defined_Atom_Stereo_Count	0
135421876	XLogP3-AA	0.2
3376	Defined_Atom_Stereo_Count	0
16835	Mono_Isotopic_Weight	116.120115130
62926	Molecular_Weight	350.4
37632	Total_Formal_Charge	0
71449567	Mono_Isotopic_Weight	375.19804835
142807	Structure_Complexity	183
91280177	XLogP3-AA	3.1
68094	Undefined_Bond_Stereo_Count	0
2777208	Covalent_Unit_Count	1
18639728	Rotatable_Bond_Count	0
58924	Molecular_Weight	253.34
135482068	Total_Formal_Charge	0
142967978	Hydrogen_Bond_Acceptor_Count	3
28610	Undefined_Bond_Stereo_Count	3
6918296	TPSA	58.2
138040	Mono_Isotopic_Weight	71.086075351
130113566	Hydrogen_Bond_Acceptor_Count	2
139585898	Total_Formal_Charge	0
801471	Defined_Atom_Stereo_Count	2
57394213	Isotope_Atom_Count	0
53674	Structure_Complexity	328
13933900	Hydrogen_Bond_Acceptor_Count	3
75987156	Rotatable_Bond_Count	4
5464076	Non-hydrogen_Atom_Count	32
60201425	Hydrogen_Bond_Donor_Count	2
21152819	Undefined_Atom_Stereo_Count	2
236487	Defined_Atom_Stereo_Count	0
80779	TPSA	64.4
7331	Mono_Isotopic_Weight	272.07970687
659294	TPSA	66.8
9964481	Mono_Isotopic_Weight	215.0560502
79003661	Structure_Complexity	120
90472762	Hydrogen_Bond_Donor_Count	5
35510	Structure_Complexity	319
72493	Hydrogen_Bond_Acceptor_Count	13
39622	Structure_Complexity	529
4611851	Hydrogen_Bond_Donor_Count	1
2244	Exact_Mass	180.04225873
12127	Tautomer_Count	3
38235	Defined_Atom_Stereo_Count	0
50287	Mono_Isotopic_Weight	312.09393489
50262	Exact_Mass	190.0079951
31268	Defined_Atom_Stereo_Count	0
524266	Mono_Isotopic_Weight	112.088815002
9578507	Undefined_Atom_Stereo_Count	0
5288453	Total_Formal_Charge	0
20100130	Structure_Complexity	420
6186	Structure_Complexity	708
45356935	Mono_Isotopic_Weight	922.36702371
13000487	Hydrogen_Bond_Donor_Count	0
5489029	Tautomer_Count	1
89399997	Undefined_Atom_Stereo_Count	0
12855889	Structure_Complexity	1950
6422124	XLogP3-AA	2.5
64466	Defined_Bond_Stereo_Count	0
155166	Covalent_Unit_Count	1
21481285	Undefined_Bond_Stereo_Count	0
188414	Rotatable_Bond_Count	2
5618	Hydrogen_Bond_Donor_Count	2
5281088	Undefined_Atom_Stereo_Count	0
119101	Tautomer_Count	3
69908	Total_Formal_Charge	0
98488	Tautomer_Count	3
839431	Isotope_Atom_Count	0
95876	Covalent_Unit_Count	1
57656232	Undefined_Bond_Stereo_Count	0
14944519	Defined_Atom_Stereo_Count	0
5681	Molecular_Weight	340.9
136394	Covalent_Unit_Count	1
76857	Rotatable_Bond_Count	1
16683091	Rotatable_Bond_Count	2
23662274	Undefined_Atom_Stereo_Count	0
550922	Defined_Bond_Stereo_Count	0
17748	Exact_Mass	207.0087061
162639137	Exact_Mass	422.15115773
22833317	Molecular_Weight	192.25
516	Exact_Mass	308.00622063
9818479	Total_Formal_Charge	0
54368808	Mono_Isotopic_Weight	109.052763847
20206342	Structure_Complexity	97.4
54166403	TPSA	29.1
68510675	Non-hydrogen_Atom_Count	16
600809	TPSA	26
273032	Hydrogen_Bond_Acceptor_Count	4
274412	Non-hydrogen_Atom_Count	8
86767860	Isotope_Atom_Count	0
57435862	Mono_Isotopic_Weight	112.063662883
12791421	Defined_Atom_Stereo_Count	0
77674	Mono_Isotopic_Weight	163.927511
6473973	Covalent_Unit_Count	1
53671850	Covalent_Unit_Count	1
133620	Structure_Complexity	275
163090691	Hydrogen_Bond_Donor_Count	4
107649	Total_Formal_Charge	2
50077	Molecular_Weight	350.5
101524	Rotatable_Bond_Count	8
33184	Undefined_Atom_Stereo_Count	0
76152	Mono_Isotopic_Weight	140.04081944
68154	Tautomer_Count	1
450484	Molecular_Weight	393.21
65608	Molecular_Weight	239.35
21680726	Molecular_Weight	518.5
20352	Tautomer_Count	1
3269	Structure_Complexity	411
5144	Total_Formal_Charge	0
4068533	Molecular_Weight	94.04
5460408	Undefined_Atom_Stereo_Count	0
53503	Molecular_Weight	209.01
6436540	XLogP3-AA	4.1
10993649	Non-hydrogen_Atom_Count	7
102089288	Total_Formal_Charge	0
7767	Undefined_Bond_Stereo_Count	0
119097769	Non-hydrogen_Atom_Count	8
76198	Isotope_Atom_Count	0
77569	Mono_Isotopic_Weight	214.95819
53315792	Hydrogen_Bond_Donor_Count	6
71457270	Covalent_Unit_Count	1
197856	Hydrogen_Bond_Acceptor_Count	6
4501	Undefined_Atom_Stereo_Count	0
71438255	Undefined_Atom_Stereo_Count	0
15273943	Mono_Isotopic_Weight	112.052429494
5282230	Undefined_Bond_Stereo_Count	0
19041912	Isotope_Atom_Count	0
70249	Tautomer_Count	1
11526038	Molecular_Weight	490.5
136589	Defined_Atom_Stereo_Count	0
6984	Defined_Atom_Stereo_Count	0
1069189	Defined_Bond_Stereo_Count	0
15099876	Covalent_Unit_Count	1
71681010	Undefined_Atom_Stereo_Count	1
165993043	XLogP3-AA	1.4
10158868	Defined_Atom_Stereo_Count	0
2724	Defined_Atom_Stereo_Count	0
23675947	Non-hydrogen_Atom_Count	25
15657508	Non-hydrogen_Atom_Count	7
54024247	Total_Formal_Charge	0
9023	Non-hydrogen_Atom_Count	6
123867984	Rotatable_Bond_Count	1
68165256	TPSA	85.9
42599603	TPSA	86
55331	Defined_Bond_Stereo_Count	0
14895678	Exact_Mass	75.068413911
6918204	Molecular_Weight	1058.1
68503813	Covalent_Unit_Count	1
13065896	Hydrogen_Bond_Donor_Count	0
138358	Hydrogen_Bond_Acceptor_Count	0
67810472	Non-hydrogen_Atom_Count	23
8164	XLogP3	3.4
2348480	Structure_Complexity	439
124174523	Isotope_Atom_Count	0
21581715	Non-hydrogen_Atom_Count	8
519415	Exact_Mass	146.130679813
13159184	Undefined_Atom_Stereo_Count	1
27989	Defined_Atom_Stereo_Count	0
91114160	Exact_Mass	114.068079557
21670561	TPSA	0
113917	Molecular_Weight	323.5
15565709	Hydrogen_Bond_Acceptor_Count	4
85266	Defined_Atom_Stereo_Count	0
12985	Molecular_Weight	115.17
71905	Undefined_Atom_Stereo_Count	0
5468049	Molecular_Weight	195.25
164914198	Undefined_Bond_Stereo_Count	0
40030	Defined_Bond_Stereo_Count	0
46835725	Exact_Mass	87.068413911
17071	TPSA	20.3
589116	Total_Formal_Charge	0
53669425	Covalent_Unit_Count	1
6591	XLogP3	2.4
88317	XLogP3-AA	0.8
77910626	Total_Formal_Charge	0
5288390	Defined_Bond_Stereo_Count	0
101191397	TPSA	26.3
85145	Defined_Atom_Stereo_Count	0
56676872	Molecular_Weight	453.5
7031	Non-hydrogen_Atom_Count	20
1804	Undefined_Atom_Stereo_Count	0
413494	Undefined_Bond_Stereo_Count	0
30552	Tautomer_Count	1
10967	Exact_Mass	113.9639201
124635203	Hydrogen_Bond_Donor_Count	8
29131	Isotope_Atom_Count	0
62238	Total_Formal_Charge	0
61185	Defined_Bond_Stereo_Count	0
3323161	Rotatable_Bond_Count	1
295763	Covalent_Unit_Count	1
105037	Molecular_Weight	153.18
8229	Isotope_Atom_Count	0
6538998	Undefined_Bond_Stereo_Count	0
27681	Structure_Complexity	109
129651290	Non-hydrogen_Atom_Count	31
400182	Undefined_Atom_Stereo_Count	2
31473	Defined_Bond_Stereo_Count	0
88822	Non-hydrogen_Atom_Count	45
21051076	Molecular_Weight	99.13
90551	Defined_Bond_Stereo_Count	0
134695341	Non-hydrogen_Atom_Count	55
52941509	Undefined_Bond_Stereo_Count	0
70339927	Hydrogen_Bond_Acceptor_Count	2
305560	Covalent_Unit_Count	1
14454747	Total_Formal_Charge	0
7601	Hydrogen_Bond_Acceptor_Count	2
14163	Covalent_Unit_Count	1
150558758	Hydrogen_Bond_Acceptor_Count	3
25008767	Hydrogen_Bond_Donor_Count	3
124247	Exact_Mass	209.10519334
101222073	Isotope_Atom_Count	0
445920	Defined_Atom_Stereo_Count	0
6329	Undefined_Atom_Stereo_Count	0
1548986	Covalent_Unit_Count	1
67963	Exact_Mass	195.0062613
3178	Molecular_Weight	443.5
12553931	Total_Formal_Charge	0
4895	Structure_Complexity	827
44430376	Exact_Mass	273.04373590
12433	Defined_Atom_Stereo_Count	0
6083	Undefined_Bond_Stereo_Count	0
131567	Isotope_Atom_Count	0
3811100	Covalent_Unit_Count	1
6419884	Covalent_Unit_Count	2
12276020	Total_Formal_Charge	0
141343693	Rotatable_Bond_Count	1
343119	Molecular_Weight	96.13
120095	Hydrogen_Bond_Acceptor_Count	1
5281877	Hydrogen_Bond_Acceptor_Count	8
88294	Hydrogen_Bond_Acceptor_Count	4
6427	Total_Formal_Charge	0
17856440	Exact_Mass	103.099714038
132306	Defined_Atom_Stereo_Count	0
86101	Molecular_Weight	418.27
53828439	Undefined_Atom_Stereo_Count	0
9814448	Undefined_Bond_Stereo_Count	0
10727	TPSA	20.3
5610	XLogP3	1.1
139085816	Non-hydrogen_Atom_Count	19
92162	Rotatable_Bond_Count	0
23271202	Undefined_Bond_Stereo_Count	0
20700920	Defined_Atom_Stereo_Count	0
12533146	Non-hydrogen_Atom_Count	6
21938314	Rotatable_Bond_Count	1
281478	Defined_Bond_Stereo_Count	0
19803703	Non-hydrogen_Atom_Count	13
5462306	Hydrogen_Bond_Acceptor_Count	4
161973	Molecular_Weight	296.5
142107	Hydrogen_Bond_Acceptor_Count	1
121207908	Hydrogen_Bond_Donor_Count	0
99516	Non-hydrogen_Atom_Count	30
162883449	Defined_Atom_Stereo_Count	16
11957491	Mono_Isotopic_Weight	598.00994696
13817	Defined_Bond_Stereo_Count	0
6918314	Mono_Isotopic_Weight	441.21647512
129009989	Defined_Atom_Stereo_Count	9
105106104	Rotatable_Bond_Count	3
18200	Tautomer_Count	1
10645	Exact_Mass	332.1113975
96398	Exact_Mass	174.104465066
33256	Hydrogen_Bond_Donor_Count	2
17754772	Non-hydrogen_Atom_Count	23
4462	Covalent_Unit_Count	1
53316390	Defined_Atom_Stereo_Count	0
12210512	Total_Formal_Charge	0
3791919	XLogP3-AA	0
91996	Defined_Bond_Stereo_Count	0
6880	XLogP3	1.9
753053	Tautomer_Count	9
69333884	XLogP3-AA	0.4
751341	Total_Formal_Charge	0
166064699	Defined_Atom_Stereo_Count	0
123358	Isotope_Atom_Count	0
10248	Hydrogen_Bond_Acceptor_Count	3
9837674	Isotope_Atom_Count	0
38333	Covalent_Unit_Count	1
66063	Hydrogen_Bond_Donor_Count	1
11840951	Hydrogen_Bond_Acceptor_Count	5
15182447	Hydrogen_Bond_Acceptor_Count	2
4740	Defined_Bond_Stereo_Count	0
20746480	Isotope_Atom_Count	0
18622348	Hydrogen_Bond_Donor_Count	0
23496	Tautomer_Count	1
25015	Defined_Bond_Stereo_Count	0
195	Hydrogen_Bond_Donor_Count	7
136045807	Mono_Isotopic_Weight	501.16483347
141543352	Defined_Atom_Stereo_Count	0
16564	TPSA	82.9
667550	Isotope_Atom_Count	0
21115778	Isotope_Atom_Count	0
17348	Total_Formal_Charge	0
121246104	TPSA	26.3
141545	Isotope_Atom_Count	0
118613234	Isotope_Atom_Count	0
141070	Defined_Atom_Stereo_Count	0
68171	Hydrogen_Bond_Acceptor_Count	1
23571381	Hydrogen_Bond_Donor_Count	1
16726085	Covalent_Unit_Count	1
7524	Total_Formal_Charge	0
11768551	Exact_Mass	116.083729621
42626428	Defined_Atom_Stereo_Count	1
22990584	Defined_Bond_Stereo_Count	0
44272237	Isotope_Atom_Count	0
2073	Structure_Complexity	570
42808	Tautomer_Count	1
75654	Isotope_Atom_Count	0
70810	XLogP3	1.2
71583274	Hydrogen_Bond_Donor_Count	2
1381	Mono_Isotopic_Weight	408.18886022
11520759	Hydrogen_Bond_Acceptor_Count	12
21998472	Covalent_Unit_Count	1
3034368	Hydrogen_Bond_Acceptor_Count	8
24760653	Rotatable_Bond_Count	5
14862	Tautomer_Count	2
70916	Exact_Mass	226.12050905
5362894	Hydrogen_Bond_Donor_Count	0
64218	Structure_Complexity	387
96095	TPSA	29.1
135418283	TPSA	91.5
13083763	Covalent_Unit_Count	1
147895	Hydrogen_Bond_Donor_Count	4
14924951	Isotope_Atom_Count	0
4024	Total_Formal_Charge	0
20591068	XLogP3-AA	1.8
14518434	Rotatable_Bond_Count	3
9889168	Structure_Complexity	252
44125988	XLogP3-AA	2.6
57242	TPSA	55
101080369	Undefined_Atom_Stereo_Count	0
2762874	Undefined_Atom_Stereo_Count	0
135966012	Total_Formal_Charge	0
62978	TPSA	175
16719897	Undefined_Atom_Stereo_Count	0
6445017	Total_Formal_Charge	0
114864	Molecular_Weight	206.28
53364510	Covalent_Unit_Count	1
192435	Isotope_Atom_Count	0
71300725	Hydrogen_Bond_Donor_Count	4
94034	Hydrogen_Bond_Donor_Count	1
12179	Structure_Complexity	76.1
71584419	Hydrogen_Bond_Acceptor_Count	7
14392758	Mono_Isotopic_Weight	344.23514488
97383	Undefined_Bond_Stereo_Count	0
23992	Undefined_Atom_Stereo_Count	0
66254	TPSA	63.3
6458	Hydrogen_Bond_Donor_Count	0
439846	Molecular_Weight	76.09
41466	Defined_Atom_Stereo_Count	0
54289557	Exact_Mass	132.115029749
102614	Undefined_Atom_Stereo_Count	1
5505	Defined_Bond_Stereo_Count	0
153818183	Covalent_Unit_Count	1
5323984	Mono_Isotopic_Weight	93.057849228
788781	XLogP3-AA	4.3
124635203	TPSA	190
46181941	Total_Formal_Charge	0
7124	Undefined_Atom_Stereo_Count	0
14651092	TPSA	69.6
3254	Total_Formal_Charge	0
12359154	Molecular_Weight	304.19
23349	Covalent_Unit_Count	1
78170	Total_Formal_Charge	0
124226574	Undefined_Bond_Stereo_Count	0
20055408	Hydrogen_Bond_Donor_Count	13
2724354	Total_Formal_Charge	0
4049	Undefined_Bond_Stereo_Count	0
18356755	Rotatable_Bond_Count	3
7786	Isotope_Atom_Count	0
11316094	Covalent_Unit_Count	1
9934492	Hydrogen_Bond_Donor_Count	7
68296308	Undefined_Bond_Stereo_Count	0
160355	Molecular_Weight	354.4
44485	Structure_Complexity	208
616573	Hydrogen_Bond_Donor_Count	1
75633	TPSA	29.5
11492406	Non-hydrogen_Atom_Count	16
163317	Rotatable_Bond_Count	2
129849349	Total_Formal_Charge	0
8472	Covalent_Unit_Count	1
73174	Covalent_Unit_Count	1
92136216	Undefined_Bond_Stereo_Count	0
5284499	Tautomer_Count	1
11520	Isotope_Atom_Count	0
55289794	Non-hydrogen_Atom_Count	7
71301229	Undefined_Bond_Stereo_Count	0
51299	Structure_Complexity	151
10453870	Undefined_Atom_Stereo_Count	0
75987092	Undefined_Atom_Stereo_Count	1
6918686	TPSA	119
443732	XLogP3-AA	0.4
23219736	TPSA	49.7
61126	XLogP3-AA	1.6
984355	Non-hydrogen_Atom_Count	34
165495	Covalent_Unit_Count	4
14116454	Hydrogen_Bond_Acceptor_Count	2
589409	Defined_Atom_Stereo_Count	0
247673	Exact_Mass	545.19104822
39628	Covalent_Unit_Count	1
24233	Structure_Complexity	30.5
10264356	Covalent_Unit_Count	1
129636908	Covalent_Unit_Count	2
55874	Defined_Atom_Stereo_Count	0
76955	Molecular_Weight	149.15
11412777	Isotope_Atom_Count	0
82145	Hydrogen_Bond_Acceptor_Count	2
763185	Defined_Atom_Stereo_Count	0
73185506	Isotope_Atom_Count	0
159678	Covalent_Unit_Count	11
126973527	Mono_Isotopic_Weight	114.068079557
20024	Non-hydrogen_Atom_Count	5
969472	Defined_Atom_Stereo_Count	1
5032	Structure_Complexity	121
23079882	Hydrogen_Bond_Donor_Count	0
5281706	Non-hydrogen_Atom_Count	22
69631	Total_Formal_Charge	0
11040705	Hydrogen_Bond_Donor_Count	0
54027648	Mono_Isotopic_Weight	101.047678466
76704	Undefined_Atom_Stereo_Count	0
46930998	Isotope_Atom_Count	0
933147	Hydrogen_Bond_Acceptor_Count	5
129664186	Hydrogen_Bond_Donor_Count	0
174111	Hydrogen_Bond_Acceptor_Count	1
10572530	Molecular_Weight	391.3
11560414	Hydrogen_Bond_Acceptor_Count	9
11210	XLogP3-AA	2.7
7118	Defined_Bond_Stereo_Count	0
117072551	Exact_Mass	524.0942002
31362	Defined_Atom_Stereo_Count	0
5744890	Defined_Bond_Stereo_Count	0
54848	XLogP3	6.2
55293	Undefined_Atom_Stereo_Count	0
59059978	Defined_Bond_Stereo_Count	0
117957447	Structure_Complexity	53.7
10291132	Hydrogen_Bond_Acceptor_Count	11
436543	Rotatable_Bond_Count	1
21117498	Undefined_Atom_Stereo_Count	0
5064267	Covalent_Unit_Count	1
446080	Isotope_Atom_Count	0
4132186	XLogP3-AA	3.2
249332	TPSA	254
4871	Rotatable_Bond_Count	3
58390642	XLogP3-AA	0.2
756	Undefined_Bond_Stereo_Count	0
84531	Tautomer_Count	1
447378	Defined_Bond_Stereo_Count	0
611945	Hydrogen_Bond_Donor_Count	0
9954114	Undefined_Bond_Stereo_Count	0
15090448	Mono_Isotopic_Weight	114.068079557
69440016	Rotatable_Bond_Count	9
24776149	Defined_Bond_Stereo_Count	0
12263801	Defined_Bond_Stereo_Count	0
249017	Defined_Bond_Stereo_Count	0
9915861	Non-hydrogen_Atom_Count	41
9808844	Isotope_Atom_Count	0
6366720	Defined_Bond_Stereo_Count	1
8314	Defined_Atom_Stereo_Count	0
3080935	Hydrogen_Bond_Acceptor_Count	10
133562683	Isotope_Atom_Count	0
951315	Defined_Bond_Stereo_Count	0
1217	Structure_Complexity	172
87590895	Non-hydrogen_Atom_Count	30
30824	Defined_Bond_Stereo_Count	0
143466591	TPSA	21.6
1652	Molecular_Weight	242.23
135349	Molecular_Weight	465.4
649217	Non-hydrogen_Atom_Count	36
90393	Structure_Complexity	292
6289	Non-hydrogen_Atom_Count	19
2455	Defined_Atom_Stereo_Count	0
9848	Hydrogen_Bond_Acceptor_Count	2
99922	Total_Formal_Charge	0
7570	Undefined_Atom_Stereo_Count	0
134688154	Total_Formal_Charge	0
55423	Total_Formal_Charge	0
27901	TPSA	34.7
61953	Covalent_Unit_Count	1
27375	Exact_Mass	212.0716407
23692768	Defined_Atom_Stereo_Count	0
53835225	Non-hydrogen_Atom_Count	7
5311504	Structure_Complexity	963
19044091	Molecular_Weight	99.10
21958071	Hydrogen_Bond_Donor_Count	3
28852	Undefined_Bond_Stereo_Count	0
5281072	Rotatable_Bond_Count	6
89621	Total_Formal_Charge	0
1233	Undefined_Bond_Stereo_Count	0
7392	Structure_Complexity	143
66760	TPSA	41.6
5352062	Total_Formal_Charge	0
16122643	Defined_Atom_Stereo_Count	0
3032732	Undefined_Bond_Stereo_Count	0
50990393	Mono_Isotopic_Weight	923.48784986
636345	Defined_Bond_Stereo_Count	0
536549	Rotatable_Bond_Count	0
11745116	Non-hydrogen_Atom_Count	12
9841	Isotope_Atom_Count	0
56680335	Hydrogen_Bond_Donor_Count	2
6429536	Rotatable_Bond_Count	2
5957	Isotope_Atom_Count	0
12452564	Structure_Complexity	191
68614	Tautomer_Count	2
136135	Rotatable_Bond_Count	0
443944	Rotatable_Bond_Count	5
85614476	Covalent_Unit_Count	1
10285780	Structure_Complexity	72.5
10942371	Covalent_Unit_Count	1
71508542	Covalent_Unit_Count	1
10943	Molecular_Weight	147.00
59704100	Defined_Atom_Stereo_Count	0
7934	Defined_Atom_Stereo_Count	0
6221	Undefined_Bond_Stereo_Count	2
23283068	Rotatable_Bond_Count	0
102492967	Defined_Atom_Stereo_Count	0
12364	Mono_Isotopic_Weight	144.089877630
12647151	Undefined_Bond_Stereo_Count	0
23616864	TPSA	0
590707	Covalent_Unit_Count	1
71333816	Hydrogen_Bond_Donor_Count	0
124013	Defined_Atom_Stereo_Count	0
5392139	Covalent_Unit_Count	1
66016	Structure_Complexity	119
15046	Structure_Complexity	149
233706	Defined_Atom_Stereo_Count	2
91802613	Covalent_Unit_Count	1
23668192	Isotope_Atom_Count	0
62306	Molecular_Weight	260.11
228289	Undefined_Atom_Stereo_Count	0
64510	Hydrogen_Bond_Acceptor_Count	4
75502	Exact_Mass	342.27700969
13157	Defined_Atom_Stereo_Count	0
9867605	Rotatable_Bond_Count	4
446912	Molecular_Weight	531.7
20587	TPSA	43.7
812042	Hydrogen_Bond_Acceptor_Count	2
2340	Undefined_Atom_Stereo_Count	4
129009909	Mono_Isotopic_Weight	665.30474055
528405	Rotatable_Bond_Count	1
21353681	Isotope_Atom_Count	0
10901	Covalent_Unit_Count	1
222465	Undefined_Atom_Stereo_Count	0
167297	Undefined_Atom_Stereo_Count	2
62656	Mono_Isotopic_Weight	125.90349
177336	Defined_Bond_Stereo_Count	0
15569631	Mono_Isotopic_Weight	172.03064868
81455	Hydrogen_Bond_Donor_Count	0
26660	Molecular_Weight	177.24
2733525	Molecular_Weight	563.6
31202	Hydrogen_Bond_Donor_Count	0
138275	Hydrogen_Bond_Donor_Count	0
82234570	Hydrogen_Bond_Donor_Count	3
91778	Rotatable_Bond_Count	4
53384918	Rotatable_Bond_Count	4
101375997	Defined_Atom_Stereo_Count	31
91464153	Mono_Isotopic_Weight	111.032028402
54682469	Defined_Atom_Stereo_Count	5
64992524	Rotatable_Bond_Count	3
71215	Non-hydrogen_Atom_Count	25
705	Structure_Complexity	1520
5464924	Defined_Bond_Stereo_Count	0
55245	Structure_Complexity	921
165580	Isotope_Atom_Count	0
97657	Isotope_Atom_Count	0
15752282	Rotatable_Bond_Count	1
55290041	Isotope_Atom_Count	0
24905149	Hydrogen_Bond_Acceptor_Count	7
517320	Hydrogen_Bond_Acceptor_Count	6
53316398	Covalent_Unit_Count	3
5318156	Hydrogen_Bond_Donor_Count	8
68292207	Isotope_Atom_Count	0
53484516	Hydrogen_Bond_Acceptor_Count	2
7932	Defined_Atom_Stereo_Count	0
9796590	Molecular_Weight	307.3
5231957	Hydrogen_Bond_Donor_Count	2
52931497	Hydrogen_Bond_Acceptor_Count	8
44453028	Covalent_Unit_Count	2
10444413	Undefined_Atom_Stereo_Count	0
15213038	Mono_Isotopic_Weight	87.068413911
543587	Rotatable_Bond_Count	12
33671	Molecular_Weight	251.28
12512794	Non-hydrogen_Atom_Count	7
5356789	Tautomer_Count	3
219704	Hydrogen_Bond_Donor_Count	1
7118	Defined_Atom_Stereo_Count	0
9795276	Structure_Complexity	245
9936746	Exact_Mass	491.1182738
7617	Tautomer_Count	1
102429819	Defined_Bond_Stereo_Count	0
3773593	Non-hydrogen_Atom_Count	20
11339	Defined_Bond_Stereo_Count	0
146682529	Defined_Atom_Stereo_Count	2
24139	Structure_Complexity	235
21973769	Isotope_Atom_Count	0
21962760	Total_Formal_Charge	0
1326	Isotope_Atom_Count	0
3559	Rotatable_Bond_Count	6
8153	Hydrogen_Bond_Donor_Count	0
16668	Molecular_Weight	158.20
73110	Structure_Complexity	1010
68374	Tautomer_Count	9
788	Defined_Bond_Stereo_Count	0
130804992	Defined_Atom_Stereo_Count	0
178103	Total_Formal_Charge	0
134688669	Hydrogen_Bond_Donor_Count	2
5282443	Structure_Complexity	336
104975	XLogP3-AA	2.6
23688976	Defined_Bond_Stereo_Count	0
12581088	Hydrogen_Bond_Donor_Count	0
18921	Defined_Atom_Stereo_Count	0
8049	XLogP3-AA	3.5
9939931	Covalent_Unit_Count	2
61059	Non-hydrogen_Atom_Count	12
5273569	Undefined_Atom_Stereo_Count	0
274080	Non-hydrogen_Atom_Count	29
16158208	Total_Formal_Charge	0
20680013	TPSA	9.2
70069	Structure_Complexity	669
58044699	Non-hydrogen_Atom_Count	8
18000118	Isotope_Atom_Count	0
454202	Tautomer_Count	2
2846	Non-hydrogen_Atom_Count	48
21769	Molecular_Weight	348.9
20483609	Rotatable_Bond_Count	1
9829639	Hydrogen_Bond_Acceptor_Count	11
11151622	Defined_Bond_Stereo_Count	1
137018	Covalent_Unit_Count	1
543885	Isotope_Atom_Count	0
51003592	Undefined_Bond_Stereo_Count	0
137829	Isotope_Atom_Count	0
10379137	Covalent_Unit_Count	1
8631	Defined_Bond_Stereo_Count	0
1967	Mono_Isotopic_Weight	326.18819469
7370	Tautomer_Count	1
9936746	Molecular_Weight	492.0
4165	Hydrogen_Bond_Donor_Count	1
52038	Rotatable_Bond_Count	6
5388977	Molecular_Weight	503.5
16694	Molecular_Weight	132.20
442424	TPSA	76
76631	Exact_Mass	217.0869564
80165	Isotope_Atom_Count	0
85026	Total_Formal_Charge	1
80308	Hydrogen_Bond_Acceptor_Count	2
12642	Defined_Atom_Stereo_Count	0
4051	Structure_Complexity	634
17819	XLogP3	0.9
189562	Undefined_Bond_Stereo_Count	0
23695767	Total_Formal_Charge	0
4590704	Non-hydrogen_Atom_Count	14
521459	Undefined_Atom_Stereo_Count	0
77849	Mono_Isotopic_Weight	147.079647300
97524	Exact_Mass	255.05652907
71531	Non-hydrogen_Atom_Count	28
60006754	Molecular_Weight	303.35
66704605	Undefined_Bond_Stereo_Count	1
47795	Mono_Isotopic_Weight	229.08268182
833992	Total_Formal_Charge	0
87367	Hydrogen_Bond_Acceptor_Count	5
387316	Non-hydrogen_Atom_Count	34
6896	Undefined_Bond_Stereo_Count	0
45359105	Defined_Atom_Stereo_Count	0
250074	XLogP3-AA	1.3
161760	Defined_Atom_Stereo_Count	0
74470	Undefined_Atom_Stereo_Count	0
8811	Tautomer_Count	1
52943962	Defined_Atom_Stereo_Count	0
253602	Structure_Complexity	302
24973796	Undefined_Bond_Stereo_Count	0
65573986	Hydrogen_Bond_Acceptor_Count	1
23679691	Covalent_Unit_Count	2
53467	Hydrogen_Bond_Acceptor_Count	5
198695	XLogP3-AA	0
140123	Undefined_Atom_Stereo_Count	0
694674	Non-hydrogen_Atom_Count	20
6413529	Undefined_Bond_Stereo_Count	0
3219	Undefined_Bond_Stereo_Count	0
684433	XLogP3-AA	3.2
13642940	Exact_Mass	105.032697108
76860	Rotatable_Bond_Count	0
3571519	Structure_Complexity	166
54601349	Total_Formal_Charge	0
148022	Tautomer_Count	1
54493962	XLogP3-AA	1.1
30249	XLogP3-AA	4.2
123373137	Non-hydrogen_Atom_Count	20
42863	Isotope_Atom_Count	0
136090	Covalent_Unit_Count	1
8737	Isotope_Atom_Count	0
12444627	Defined_Bond_Stereo_Count	1
20129	Hydrogen_Bond_Acceptor_Count	2
13196775	Undefined_Atom_Stereo_Count	0
5353758	Rotatable_Bond_Count	3
10396910	Structure_Complexity	44.9
91461198	Covalent_Unit_Count	1
44146477	Exact_Mass	371.1499506
528856	Rotatable_Bond_Count	6
4678317	Undefined_Bond_Stereo_Count	0
80472	Undefined_Atom_Stereo_Count	0
20339874	Undefined_Bond_Stereo_Count	0
334657	Structure_Complexity	180
23673837	Hydrogen_Bond_Donor_Count	0
71456042	Exact_Mass	484.13042228
16760577	Rotatable_Bond_Count	6
5287779	Molecular_Weight	202.25
11145	XLogP3	3.8
12317358	XLogP3-AA	0
7366	Mono_Isotopic_Weight	134.109550447
3083546	Undefined_Atom_Stereo_Count	0
61948	Molecular_Weight	265.93
118098295	Hydrogen_Bond_Acceptor_Count	11
11655069	XLogP3-AA	0.7
10465793	Rotatable_Bond_Count	2
12355883	Undefined_Atom_Stereo_Count	0
22386229	Defined_Bond_Stereo_Count	0
83909	Total_Formal_Charge	0
18980946	Exact_Mass	113.084063974
20980871	Exact_Mass	331.1161486
14057	Defined_Atom_Stereo_Count	0
85624637	Defined_Bond_Stereo_Count	0
5324168	Hydrogen_Bond_Acceptor_Count	2
690	Hydrogen_Bond_Acceptor_Count	3
6860	Hydrogen_Bond_Donor_Count	0
549253	Isotope_Atom_Count	0
65723	Undefined_Atom_Stereo_Count	0
21942786	Rotatable_Bond_Count	1
85805628	Covalent_Unit_Count	1
166744	Hydrogen_Bond_Donor_Count	0
119114	Exact_Mass	289.11365002
65043	Undefined_Atom_Stereo_Count	0
11477652	Undefined_Atom_Stereo_Count	0
2031	Rotatable_Bond_Count	9
3894	Rotatable_Bond_Count	6
18762346	Molecular_Weight	104.10
20387228	Undefined_Bond_Stereo_Count	0
161154	Hydrogen_Bond_Acceptor_Count	3
8554	Exact_Mass	194.05790880
62709	Hydrogen_Bond_Acceptor_Count	2
12447	TPSA	75.9
31703	Mono_Isotopic_Weight	543.17406074
5363685	TPSA	34.1
71226662	Structure_Complexity	845
18628727	Isotope_Atom_Count	0
129675901	Total_Formal_Charge	0
71737801	Isotope_Atom_Count	0
280245	Mono_Isotopic_Weight	247.12084340
76543883	Total_Formal_Charge	0
14282406	TPSA	38.8
29352	Mono_Isotopic_Weight	152.083729621
80717	Isotope_Atom_Count	0
3086157	Defined_Atom_Stereo_Count	0
589209	Covalent_Unit_Count	1
57389999	Total_Formal_Charge	0
12529295	Covalent_Unit_Count	1
22717642	Undefined_Bond_Stereo_Count	0
50483	Covalent_Unit_Count	2
4727	Defined_Bond_Stereo_Count	0
14895	Hydrogen_Bond_Acceptor_Count	10
446986	Non-hydrogen_Atom_Count	54
71453619	XLogP3-AA	4.2
71884	Rotatable_Bond_Count	20
24843	Mono_Isotopic_Weight	246.0107241
135121698	TPSA	64.6
19704286	Defined_Bond_Stereo_Count	0
38382	Defined_Atom_Stereo_Count	0
12934018	Molecular_Weight	98.10
2422	Rotatable_Bond_Count	8
14831302	Defined_Bond_Stereo_Count	0
221122	Undefined_Atom_Stereo_Count	0
83023	Structure_Complexity	351
108150	Undefined_Atom_Stereo_Count	0
7430	Mono_Isotopic_Weight	205.9649828
43226	TPSA	46
9808844	Hydrogen_Bond_Donor_Count	2
87224935	Undefined_Bond_Stereo_Count	0
21614701	Undefined_Atom_Stereo_Count	0
8119	Structure_Complexity	37.4
3436	Non-hydrogen_Atom_Count	19
15561101	Defined_Bond_Stereo_Count	0
70580528	Isotope_Atom_Count	0
591683	Defined_Atom_Stereo_Count	0
13033	Undefined_Atom_Stereo_Count	0
57734486	Non-hydrogen_Atom_Count	24
91573287	Undefined_Atom_Stereo_Count	0
7987	TPSA	71.1
656603	Isotope_Atom_Count	0
6417	TPSA	37.3
12898	Undefined_Bond_Stereo_Count	0
31244	Covalent_Unit_Count	1
87303552	Structure_Complexity	109
10693833	Defined_Atom_Stereo_Count	1
65392523	Total_Formal_Charge	0
71680685	Covalent_Unit_Count	1
15257	Defined_Atom_Stereo_Count	0
60196331	Undefined_Atom_Stereo_Count	0
92326	Structure_Complexity	315
91668	Hydrogen_Bond_Donor_Count	0
71311141	Undefined_Bond_Stereo_Count	0
928	Total_Formal_Charge	0
10473088	TPSA	98
7700	Undefined_Atom_Stereo_Count	0
54676884	Defined_Atom_Stereo_Count	0
23181	Isotope_Atom_Count	0
44208849	XLogP3-AA	3
78012803	Non-hydrogen_Atom_Count	24
6917941	Covalent_Unit_Count	3
535634	XLogP3-AA	0.2
36314	Defined_Bond_Stereo_Count	0
75345	Defined_Atom_Stereo_Count	0
60967	Exact_Mass	423.59541
93535113	Non-hydrogen_Atom_Count	19
105426931	Covalent_Unit_Count	1
10384666	Rotatable_Bond_Count	8
25660	Defined_Bond_Stereo_Count	0
65631	XLogP3-AA	2.2
18102	Structure_Complexity	175
59713	Structure_Complexity	384
3082052	Covalent_Unit_Count	1
123452974	Isotope_Atom_Count	0
522062	Total_Formal_Charge	0
868031	Defined_Atom_Stereo_Count	0
10408902	Defined_Atom_Stereo_Count	0
224243	Defined_Bond_Stereo_Count	0
135487856	Molecular_Weight	627.8
96201	XLogP3-AA	4.9
136053758	TPSA	56.3
161237	Non-hydrogen_Atom_Count	26
647120	Mono_Isotopic_Weight	403.1274391
98651	Non-hydrogen_Atom_Count	29
12271346	Rotatable_Bond_Count	1
5310939	Non-hydrogen_Atom_Count	37
816	Isotope_Atom_Count	0
13931173	Hydrogen_Bond_Acceptor_Count	2
59059041	Non-hydrogen_Atom_Count	8
14660779	Defined_Bond_Stereo_Count	0
76958691	Undefined_Bond_Stereo_Count	0
925642	Rotatable_Bond_Count	3
134687781	Isotope_Atom_Count	0
15178985	Exact_Mass	114.068079557
7085	Defined_Atom_Stereo_Count	0
208947	Undefined_Atom_Stereo_Count	0
20859	Molecular_Weight	104.15
12578544	Exact_Mass	117.078978594
13459667	Undefined_Atom_Stereo_Count	1
139142290	Covalent_Unit_Count	3
123783729	Defined_Atom_Stereo_Count	0
968625	Exact_Mass	330.10381361
4739617	Isotope_Atom_Count	0
5804	Covalent_Unit_Count	1
5280754	Rotatable_Bond_Count	15
3713609	Hydrogen_Bond_Acceptor_Count	2
71587288	Covalent_Unit_Count	2
644273	Total_Formal_Charge	0
7819	Hydrogen_Bond_Donor_Count	0
126521	TPSA	167
5284537	XLogP3-AA	3.1
5284391	Non-hydrogen_Atom_Count	27
865974	Hydrogen_Bond_Acceptor_Count	5
46244260	Defined_Bond_Stereo_Count	0
62425	Covalent_Unit_Count	3
5328793	Defined_Bond_Stereo_Count	1
62330	XLogP3-AA	7.1
31573	Covalent_Unit_Count	1
449069	Rotatable_Bond_Count	0
4678317	Structure_Complexity	114
153067665	Mono_Isotopic_Weight	108.093900383
136237316	Undefined_Bond_Stereo_Count	0
74245	Defined_Atom_Stereo_Count	0
12873441	Non-hydrogen_Atom_Count	64
6971042	Hydrogen_Bond_Donor_Count	4
135027	Total_Formal_Charge	0
46226173	Undefined_Atom_Stereo_Count	0
122214038	Total_Formal_Charge	0
98172	Exact_Mass	207.125928785
44925	Tautomer_Count	1
13597077	Undefined_Bond_Stereo_Count	0
86287517	Mono_Isotopic_Weight	104.03342538
151897	Defined_Atom_Stereo_Count	10
54760133	Undefined_Bond_Stereo_Count	0
12005	Defined_Atom_Stereo_Count	0
65840	Structure_Complexity	82.7
16662	XLogP3-AA	4.5
68074148	Undefined_Atom_Stereo_Count	2
197835	Total_Formal_Charge	0
81885	Structure_Complexity	283
13601826	Total_Formal_Charge	0
87900	Mono_Isotopic_Weight	157.089149355
20691	Exact_Mass	284.282763776
6323264	Total_Formal_Charge	0
25945	Tautomer_Count	2
24041599	Defined_Bond_Stereo_Count	0
47316	Rotatable_Bond_Count	6
90473211	Total_Formal_Charge	0
129769827	Exact_Mass	84.068748264
5284551	TPSA	163
22308	Isotope_Atom_Count	0
130659	Rotatable_Bond_Count	8
398658	Hydrogen_Bond_Donor_Count	1
452245	Total_Formal_Charge	0
11953895	Defined_Bond_Stereo_Count	0
3580	Hydrogen_Bond_Donor_Count	6
10899	TPSA	0
282471	Isotope_Atom_Count	0
102120416	Structure_Complexity	966
135578	Rotatable_Bond_Count	0
53436345	Molecular_Weight	98.10
1524	Defined_Bond_Stereo_Count	0
2096	Hydrogen_Bond_Donor_Count	1
65664	Tautomer_Count	1
581383	Defined_Bond_Stereo_Count	0
10113	Defined_Bond_Stereo_Count	0
19137	XLogP3	1.7
12487261	Exact_Mass	116.047344113
25141092	Isotope_Atom_Count	0
44073	Structure_Complexity	484
10569	Undefined_Atom_Stereo_Count	0
11670	Covalent_Unit_Count	1
70240	TPSA	100
100978766	Defined_Bond_Stereo_Count	0
6102820	Non-hydrogen_Atom_Count	22
140376	Molecular_Weight	108.14
71481097	Isotope_Atom_Count	0
9843028	Defined_Bond_Stereo_Count	0
5288759	Covalent_Unit_Count	1
53967	Hydrogen_Bond_Acceptor_Count	3
1479277	Isotope_Atom_Count	0
600269	Undefined_Atom_Stereo_Count	0
124708040	Rotatable_Bond_Count	4
29778	Undefined_Bond_Stereo_Count	0
3653	Defined_Bond_Stereo_Count	0
569599	TPSA	79.5
91895934	Hydrogen_Bond_Donor_Count	5
71489	Covalent_Unit_Count	2
961	Non-hydrogen_Atom_Count	1
3341	Covalent_Unit_Count	1
98813	Non-hydrogen_Atom_Count	35
6950199	Covalent_Unit_Count	1
17881	Molecular_Weight	636.7
442431	Exact_Mass	580.17920569
38769	TPSA	50.6
23447037	TPSA	145
5459765	Isotope_Atom_Count	0
98949	Undefined_Atom_Stereo_Count	3
19067979	Defined_Bond_Stereo_Count	0
10887743	Rotatable_Bond_Count	26
13023558	XLogP3-AA	0.6
1245	Covalent_Unit_Count	1
95433	Rotatable_Bond_Count	2
78777	Defined_Bond_Stereo_Count	0
132278564	Hydrogen_Bond_Acceptor_Count	7
123611	Mono_Isotopic_Weight	1726.7707769
63784	Defined_Atom_Stereo_Count	0
62705859	Non-hydrogen_Atom_Count	33
16220095	Mono_Isotopic_Weight	525.24750046
8795	Structure_Complexity	68.7
44457968	Covalent_Unit_Count	1
4993182	Covalent_Unit_Count	1
476784	Defined_Atom_Stereo_Count	4
10889178	Mono_Isotopic_Weight	210.0196052
429819	Undefined_Atom_Stereo_Count	0
6432591	Hydrogen_Bond_Donor_Count	0
24798733	Non-hydrogen_Atom_Count	34
441242	Defined_Atom_Stereo_Count	2
60153262	Rotatable_Bond_Count	9
129746471	Undefined_Atom_Stereo_Count	1
141455911	Molecular_Weight	99.13
50901	Total_Formal_Charge	0
11970126	Non-hydrogen_Atom_Count	12
25142173	Hydrogen_Bond_Donor_Count	2
2724290	Undefined_Bond_Stereo_Count	0
14678668	Exact_Mass	99.068413911
260859	Non-hydrogen_Atom_Count	25
13664	TPSA	15.8
118856278	Undefined_Bond_Stereo_Count	0
136750	Undefined_Bond_Stereo_Count	0
69568	Structure_Complexity	106
15567	Rotatable_Bond_Count	2
141297532	Molecular_Weight	111.10
77338	Rotatable_Bond_Count	1
23675242	Molecular_Weight	85.962
7540	Rotatable_Bond_Count	6
19518	TPSA	69.2
123618563	Defined_Bond_Stereo_Count	0
57399438	Non-hydrogen_Atom_Count	30
461128	Defined_Bond_Stereo_Count	0
53977912	Defined_Atom_Stereo_Count	0
68675439	Hydrogen_Bond_Donor_Count	1
124427926	Undefined_Atom_Stereo_Count	0
45120354	Tautomer_Count	1
9903930	Structure_Complexity	375
127894	Total_Formal_Charge	0
453326	Isotope_Atom_Count	0
659218	Defined_Bond_Stereo_Count	0
52947103	Total_Formal_Charge	0
41170	Molecular_Weight	100.16
51931	Structure_Complexity	208
72070	XLogP3	2
12285870	Defined_Atom_Stereo_Count	4
8210	Defined_Atom_Stereo_Count	0
5468154	Total_Formal_Charge	0
45040316	Structure_Complexity	457
44370729	Rotatable_Bond_Count	6
25058197	Hydrogen_Bond_Donor_Count	1
520711	Exact_Mass	99.104799419
53394153	Covalent_Unit_Count	1
44295739	Hydrogen_Bond_Acceptor_Count	8
5312804	Rotatable_Bond_Count	10
40472	Hydrogen_Bond_Donor_Count	0
15122	TPSA	0
20035294	Isotope_Atom_Count	0
5284623	Defined_Atom_Stereo_Count	7
39874	Total_Formal_Charge	0
7358	TPSA	20.2
22779	Isotope_Atom_Count	0
6442793	Rotatable_Bond_Count	5
67849	Covalent_Unit_Count	1
53507	Undefined_Atom_Stereo_Count	0
11145	Undefined_Bond_Stereo_Count	0
123415454	Total_Formal_Charge	0
12400910	Molecular_Weight	105.14
16138787	Non-hydrogen_Atom_Count	81
49865859	Isotope_Atom_Count	0
594090	TPSA	28.7
2167092	Non-hydrogen_Atom_Count	23
43536	Exact_Mass	354.230728204
6954	Undefined_Atom_Stereo_Count	0
44629456	Mono_Isotopic_Weight	734.46906622
12309465	XLogP3	3.8
83949	XLogP3-AA	3.2
54245381	Rotatable_Bond_Count	3
3766	XLogP3-AA	5.2
6070	Covalent_Unit_Count	1
12306686	Undefined_Bond_Stereo_Count	0
208901	Tautomer_Count	4
699222	Exact_Mass	322.08883226
129866213	Exact_Mass	502.18282
13710589	Undefined_Bond_Stereo_Count	0
908836	Isotope_Atom_Count	0
24745723	Exact_Mass	221.06228316
638449	Exact_Mass	173.96803
67822523	Covalent_Unit_Count	1
54210121	Covalent_Unit_Count	1
78236	Non-hydrogen_Atom_Count	10
21826	Undefined_Bond_Stereo_Count	0
12578534	TPSA	33
95720	TPSA	79.8
5917	Molecular_Weight	138.17
54323318	Defined_Atom_Stereo_Count	0
54686188	Undefined_Atom_Stereo_Count	4
53302268	Isotope_Atom_Count	0
149236349	Undefined_Bond_Stereo_Count	0
2816486	Isotope_Atom_Count	0
68163	Rotatable_Bond_Count	0
15133	Structure_Complexity	83.3
21973779	Tautomer_Count	1
21079839	XLogP3-AA	2.4
9988947	Non-hydrogen_Atom_Count	85
11262	Exact_Mass	100.088815002
6673	TPSA	25.1
4477	Undefined_Atom_Stereo_Count	0
694052	Defined_Atom_Stereo_Count	1
339231	Covalent_Unit_Count	1
7314	Hydrogen_Bond_Donor_Count	9
66081	Defined_Bond_Stereo_Count	0
2599	Undefined_Atom_Stereo_Count	0
18314545	Undefined_Atom_Stereo_Count	0
7021156	Covalent_Unit_Count	1
10196758	Non-hydrogen_Atom_Count	42
11647276	Total_Formal_Charge	0
12601908	Exact_Mass	98.073164938
98471	Structure_Complexity	149
16399850	Non-hydrogen_Atom_Count	20
79418	Isotope_Atom_Count	0
2546	Defined_Bond_Stereo_Count	0
97729	Total_Formal_Charge	0
20644244	Defined_Bond_Stereo_Count	0
8680	Structure_Complexity	80
11722	Non-hydrogen_Atom_Count	5
71206	Defined_Bond_Stereo_Count	0
18635	Covalent_Unit_Count	1
72090	Mono_Isotopic_Weight	437.25660860
50317	Hydrogen_Bond_Acceptor_Count	2
12283	Structure_Complexity	195
5148195	Non-hydrogen_Atom_Count	12
151203809	XLogP3	0.9
3976	Covalent_Unit_Count	1
1967	TPSA	54.4
132541087	Hydrogen_Bond_Donor_Count	0
16420	Non-hydrogen_Atom_Count	15
77442653	Rotatable_Bond_Count	0
135403648	Hydrogen_Bond_Donor_Count	7
34741	Tautomer_Count	1
135413504	Total_Formal_Charge	0
24699	TPSA	66.8
31779	Undefined_Bond_Stereo_Count	0
11593706	Mono_Isotopic_Weight	211.0611356
21800	Mono_Isotopic_Weight	504.25233168
53663591	Mono_Isotopic_Weight	112.063662883
39327	Covalent_Unit_Count	1
7434	Structure_Complexity	229
91414	Rotatable_Bond_Count	2
25019176	Mono_Isotopic_Weight	350.15768240
14355311	Structure_Complexity	154
10319630	Structure_Complexity	473
12968	Hydrogen_Bond_Donor_Count	0
12847949	Tautomer_Count	2
683563	Structure_Complexity	106
69335094	Non-hydrogen_Atom_Count	8
12779729	Non-hydrogen_Atom_Count	9
15394	Hydrogen_Bond_Acceptor_Count	1
24180719	Rotatable_Bond_Count	6
78224604	Total_Formal_Charge	1
443118	Total_Formal_Charge	0
2968	Structure_Complexity	164
520913	Defined_Atom_Stereo_Count	0
3778	Non-hydrogen_Atom_Count	17
3002003	Covalent_Unit_Count	1
70690637	Molecular_Weight	415.4
46964	Undefined_Atom_Stereo_Count	0
123870	Defined_Atom_Stereo_Count	0
19989408	Undefined_Bond_Stereo_Count	0
7323	Mono_Isotopic_Weight	254.9159841
66130	Undefined_Bond_Stereo_Count	0
439456	Rotatable_Bond_Count	6
123648	Mono_Isotopic_Weight	198.99392881
537037	TPSA	135
10379	Defined_Bond_Stereo_Count	0
129645691	Hydrogen_Bond_Acceptor_Count	15
3397	Isotope_Atom_Count	0
131750798	TPSA	196
542446	Rotatable_Bond_Count	23
24361	Covalent_Unit_Count	1
17751002	Hydrogen_Bond_Acceptor_Count	5
34468	Isotope_Atom_Count	0
56841013	Structure_Complexity	488
626738	Defined_Atom_Stereo_Count	0
23682789	Defined_Atom_Stereo_Count	0
10301	Defined_Bond_Stereo_Count	0
126011	Isotope_Atom_Count	0
34696	Undefined_Bond_Stereo_Count	0
163050674	Structure_Complexity	415
95064	Covalent_Unit_Count	1
10633	Hydrogen_Bond_Acceptor_Count	2
85904472	Hydrogen_Bond_Acceptor_Count	0
156618186	Undefined_Atom_Stereo_Count	0
162681	Exact_Mass	248.11494430
9548801	Total_Formal_Charge	0
137606	Defined_Atom_Stereo_Count	0
4376	Isotope_Atom_Count	0
25077993	Isotope_Atom_Count	0
53786721	Non-hydrogen_Atom_Count	7
7523	Hydrogen_Bond_Donor_Count	0
27282	Structure_Complexity	110
12353957	Hydrogen_Bond_Donor_Count	0
628127	Structure_Complexity	310
101684738	Structure_Complexity	133
10302451	Undefined_Bond_Stereo_Count	0
57340472	Isotope_Atom_Count	0
42070	Hydrogen_Bond_Acceptor_Count	2
208922	Hydrogen_Bond_Donor_Count	0
22185810	Undefined_Bond_Stereo_Count	0
138394518	Structure_Complexity	2320
69332601	Covalent_Unit_Count	1
67495	Total_Formal_Charge	0
294764	Structure_Complexity	262
13195837	Hydrogen_Bond_Acceptor_Count	15
13863534	Defined_Atom_Stereo_Count	0
543587	Non-hydrogen_Atom_Count	17
19272	Defined_Bond_Stereo_Count	0
6444834	Isotope_Atom_Count	0
53846428	Exact_Mass	419.34787550
12236733	Defined_Atom_Stereo_Count	0
439217	Defined_Atom_Stereo_Count	5
12285886	Covalent_Unit_Count	1
75921	Non-hydrogen_Atom_Count	16
441393	Isotope_Atom_Count	0
89738255	Molecular_Weight	103.12
55289397	Hydrogen_Bond_Donor_Count	2
49869173	Hydrogen_Bond_Donor_Count	1
129655960	Total_Formal_Charge	0
34875	Total_Formal_Charge	0
247929	Tautomer_Count	9
440141	Hydrogen_Bond_Acceptor_Count	14
12149454	Covalent_Unit_Count	2
53384391	Isotope_Atom_Count	0
76971015	Non-hydrogen_Atom_Count	36
11693521	Hydrogen_Bond_Acceptor_Count	13
61908225	Undefined_Atom_Stereo_Count	1
23985	Defined_Atom_Stereo_Count	0
32582	Hydrogen_Bond_Acceptor_Count	2
3733	Covalent_Unit_Count	1
7183	Defined_Atom_Stereo_Count	0
81415695	Defined_Atom_Stereo_Count	0
81618	Defined_Atom_Stereo_Count	0
21989159	Undefined_Atom_Stereo_Count	5
18718236	Mono_Isotopic_Weight	111.068413911
21972427	TPSA	60.1
76971016	TPSA	272
5059	TPSA	42.4
88154	Structure_Complexity	235
19437298	Defined_Atom_Stereo_Count	0
17756938	Isotope_Atom_Count	0
69948495	Defined_Atom_Stereo_Count	0
44563117	Non-hydrogen_Atom_Count	32
16211559	Mono_Isotopic_Weight	547.90110
4737029	Isotope_Atom_Count	0
454194	Undefined_Atom_Stereo_Count	0
15001198	Hydrogen_Bond_Donor_Count	0
51001932	Isotope_Atom_Count	0
22061693	Undefined_Atom_Stereo_Count	0
61303	Undefined_Atom_Stereo_Count	0
51341966	Exact_Mass	265.972503
71459167	Mono_Isotopic_Weight	385.19026037
54466280	Total_Formal_Charge	0
4557	Covalent_Unit_Count	1
12443168	Hydrogen_Bond_Acceptor_Count	4
19367743	Total_Formal_Charge	0
13991585	Rotatable_Bond_Count	14
6484	Undefined_Bond_Stereo_Count	0
143075695	Non-hydrogen_Atom_Count	7
6642	Rotatable_Bond_Count	5
10214378	Exact_Mass	86.036779430
7198	Undefined_Atom_Stereo_Count	0
31635	Undefined_Bond_Stereo_Count	0
53948566	Rotatable_Bond_Count	7
20387208	Undefined_Atom_Stereo_Count	2
70751	Hydrogen_Bond_Acceptor_Count	3
675	Defined_Atom_Stereo_Count	0
119058385	Defined_Bond_Stereo_Count	0
87990	Undefined_Bond_Stereo_Count	1
70119	Mono_Isotopic_Weight	185.96803
137782	Exact_Mass	154.94964
73234850	Hydrogen_Bond_Acceptor_Count	6
91667591	Molecular_Weight	978.6
470375	Undefined_Bond_Stereo_Count	0
71873	Tautomer_Count	1
411	Mono_Isotopic_Weight	353.13487601
53387504	Isotope_Atom_Count	0
97234	Mono_Isotopic_Weight	163.038176411
85874	TPSA	44.5
127382	Undefined_Atom_Stereo_Count	0
122706529	Hydrogen_Bond_Donor_Count	6
58506875	Total_Formal_Charge	0
5284556	Mono_Isotopic_Weight	144.0341926
151148	Hydrogen_Bond_Acceptor_Count	6
40896	Non-hydrogen_Atom_Count	20
16318	Mono_Isotopic_Weight	493.688527
8562	Non-hydrogen_Atom_Count	19
6369388	Non-hydrogen_Atom_Count	20
17460	Undefined_Bond_Stereo_Count	0
60196440	Undefined_Bond_Stereo_Count	0
154724068	Undefined_Bond_Stereo_Count	0
137699188	Total_Formal_Charge	0
21582954	Undefined_Bond_Stereo_Count	0
72943	XLogP3-AA	6.1
74517	Tautomer_Count	1
10887885	Undefined_Bond_Stereo_Count	1
75588	Isotope_Atom_Count	0
5562	Molecular_Weight	302.37
18380143	Undefined_Bond_Stereo_Count	0
11443	Total_Formal_Charge	0
7192	Tautomer_Count	2
54778	Defined_Bond_Stereo_Count	0
179822	Hydrogen_Bond_Donor_Count	0
85775728	Non-hydrogen_Atom_Count	8
12757	Hydrogen_Bond_Donor_Count	0
5361918	Molecular_Weight	356.4
135417349	Defined_Bond_Stereo_Count	2
52427	Isotope_Atom_Count	0
56841628	Undefined_Bond_Stereo_Count	0
8870	Structure_Complexity	46.1
71676045	Mono_Isotopic_Weight	390.15259702
139074319	Non-hydrogen_Atom_Count	32
118014938	Undefined_Bond_Stereo_Count	0
11029787	Hydrogen_Bond_Donor_Count	0
6681	Isotope_Atom_Count	0
5388983	Undefined_Bond_Stereo_Count	0
1929	Isotope_Atom_Count	0
6326969	Defined_Atom_Stereo_Count	0
18921	Exact_Mass	209.90002
56842239	Undefined_Atom_Stereo_Count	0
4722579	XLogP3-AA	3
20493118	Undefined_Atom_Stereo_Count	2
71306720	Covalent_Unit_Count	1
143430752	Total_Formal_Charge	0
64914374	Hydrogen_Bond_Donor_Count	1
67258371	Structure_Complexity	85.8
85296	Molecular_Weight	147.24
131740853	Total_Formal_Charge	0
153687585	XLogP3-AA	2.6
49849523	Covalent_Unit_Count	1
3033877	Defined_Atom_Stereo_Count	0
3328	Non-hydrogen_Atom_Count	20
6627	Hydrogen_Bond_Acceptor_Count	0
2734168	Hydrogen_Bond_Acceptor_Count	0
11840927	Total_Formal_Charge	0
1284234	Undefined_Atom_Stereo_Count	0
11936	XLogP3	5.1
22013662	Covalent_Unit_Count	1
12248306	Exact_Mass	229.04661
6419965	Hydrogen_Bond_Donor_Count	4
16371051	XLogP3	3.1
53763878	Isotope_Atom_Count	0
33606	Structure_Complexity	234
68674	Hydrogen_Bond_Acceptor_Count	4
607248	Structure_Complexity	161
1268103	Undefined_Atom_Stereo_Count	0
8417	Defined_Atom_Stereo_Count	0
183797	Mono_Isotopic_Weight	429.23760449
91326539	Mono_Isotopic_Weight	96.093900383
192630	Hydrogen_Bond_Acceptor_Count	15
11527282	Exact_Mass	604.25981710
6950273	Mono_Isotopic_Weight	196.146329876
9568	Undefined_Atom_Stereo_Count	1
11051583	Defined_Atom_Stereo_Count	0
57750364	Non-hydrogen_Atom_Count	32
9860946	Structure_Complexity	414
49865859	Hydrogen_Bond_Donor_Count	2
5360807	Undefined_Atom_Stereo_Count	0
4940	Tautomer_Count	2
145627882	Rotatable_Bond_Count	4
123377064	Structure_Complexity	133
14841958	Rotatable_Bond_Count	0
62766	Exact_Mass	245.954854
274667	Structure_Complexity	362
45117185	Mono_Isotopic_Weight	208.109944368
32838	Structure_Complexity	18.8
6002	Defined_Atom_Stereo_Count	0
70697507	Structure_Complexity	516
8249	Defined_Bond_Stereo_Count	0
23663973	Tautomer_Count	2
24901143	Isotope_Atom_Count	0
71518	Exact_Mass	441.08009
9877750	Covalent_Unit_Count	1
44321290	Covalent_Unit_Count	1
77262	Defined_Bond_Stereo_Count	0
6931310	Defined_Atom_Stereo_Count	1
6812	Defined_Bond_Stereo_Count	0
7678	Defined_Atom_Stereo_Count	0
57394195	Total_Formal_Charge	0
2264	Hydrogen_Bond_Acceptor_Count	4
16029	Tautomer_Count	1
105084	XLogP3-AA	2.2
984	Tautomer_Count	2
87081618	Defined_Bond_Stereo_Count	0
16040270	Total_Formal_Charge	1
79693	Structure_Complexity	131
452970	Rotatable_Bond_Count	2
95850	TPSA	67.8
89785	Hydrogen_Bond_Acceptor_Count	3
10986159	Exact_Mass	97.052763847
120416	Covalent_Unit_Count	5
85489	XLogP3-AA	13.9
657202	TPSA	26.3
35047	Defined_Atom_Stereo_Count	0
87962	Covalent_Unit_Count	1
5761	TPSA	39.3
12885790	TPSA	37.4
129797481	Isotope_Atom_Count	0
138335	Structure_Complexity	96.6
73271	TPSA	95.5
1755	Total_Formal_Charge	0
5459124	Hydrogen_Bond_Donor_Count	1
45830	Total_Formal_Charge	0
41109	Undefined_Bond_Stereo_Count	0
139079814	Structure_Complexity	253
83131	Hydrogen_Bond_Donor_Count	2
409384	Rotatable_Bond_Count	2
14818447	Covalent_Unit_Count	2
886088	Mono_Isotopic_Weight	338.0921014
7318	Exact_Mass	183.01677226
119098472	Mono_Isotopic_Weight	113.084063974
135456161	Molecular_Weight	690.7
51357128	Hydrogen_Bond_Acceptor_Count	7
4658	Hydrogen_Bond_Donor_Count	0
8505	Defined_Bond_Stereo_Count	0
11317883	TPSA	173
6440842	Covalent_Unit_Count	1
25271979	Defined_Atom_Stereo_Count	0
146680	TPSA	109
43295	Defined_Bond_Stereo_Count	0
30545	Molecular_Weight	331.2
117563748	Exact_Mass	98.048012819
8567	Tautomer_Count	1
237873	Molecular_Weight	79.06
80507	Non-hydrogen_Atom_Count	7
13351	Hydrogen_Bond_Acceptor_Count	4
6442568	Non-hydrogen_Atom_Count	12
178052	Tautomer_Count	1
136662877	Isotope_Atom_Count	0
3340	Exact_Mass	306.0896961
79013	Molecular_Weight	478.7
21061878	Non-hydrogen_Atom_Count	8
24884255	Isotope_Atom_Count	0
5460389	Mono_Isotopic_Weight	167.03443370
54415369	Isotope_Atom_Count	0
10022	Exact_Mass	153.97934
197006	Undefined_Bond_Stereo_Count	0
351917	Covalent_Unit_Count	1
72048	Exact_Mass	324.11774960
76223135	Total_Formal_Charge	0
12814875	Undefined_Bond_Stereo_Count	0
347	Undefined_Atom_Stereo_Count	5
9921701	Defined_Bond_Stereo_Count	0
20330912	Exact_Mass	190.00482785
12443	Exact_Mass	463.65400
1710	TPSA	40.5
735950	Hydrogen_Bond_Acceptor_Count	2
53462066	Undefined_Bond_Stereo_Count	0
57992215	Covalent_Unit_Count	1
5521	Exact_Mass	161.06056562
47909	Defined_Atom_Stereo_Count	0
46533	Rotatable_Bond_Count	4
72331	Structure_Complexity	953
456199	Undefined_Bond_Stereo_Count	0
110747	Total_Formal_Charge	0
131954443	Total_Formal_Charge	0
300765	Non-hydrogen_Atom_Count	18
136246379	Hydrogen_Bond_Donor_Count	3
71887	Hydrogen_Bond_Acceptor_Count	6
68647	Hydrogen_Bond_Acceptor_Count	2
20343396	Exact_Mass	118.099379685
131673970	TPSA	85.4
313444	Non-hydrogen_Atom_Count	11
86278362	Undefined_Atom_Stereo_Count	0
134824609	Structure_Complexity	1210
10432339	Exact_Mass	421.0863050
95005	Structure_Complexity	222
8083388	Total_Formal_Charge	0
59646264	Total_Formal_Charge	0
10953466	Undefined_Atom_Stereo_Count	0
25080293	Rotatable_Bond_Count	40
13244490	Defined_Atom_Stereo_Count	0
11969465	Molecular_Weight	400.5
12364760	Covalent_Unit_Count	1
3182	Defined_Atom_Stereo_Count	0
706	Defined_Bond_Stereo_Count	0
1335	Mono_Isotopic_Weight	133.07389321
16212480	Defined_Atom_Stereo_Count	4
5438	Isotope_Atom_Count	0
15895902	Isotope_Atom_Count	0
54587656	Hydrogen_Bond_Donor_Count	1
24780	Structure_Complexity	760
20055400	Undefined_Bond_Stereo_Count	0
123991	Covalent_Unit_Count	1
57780614	Defined_Bond_Stereo_Count	0
54455096	Exact_Mass	116.083729621
25142310	Defined_Bond_Stereo_Count	0
107971	TPSA	146
12563	Exact_Mass	168.093900383
53477715	Molecular_Weight	639.5
440968	Defined_Atom_Stereo_Count	2
11076461	Non-hydrogen_Atom_Count	11
223578	Mono_Isotopic_Weight	330.21949481
2723856	Tautomer_Count	1
87642220	Defined_Bond_Stereo_Count	0
90335493	Rotatable_Bond_Count	0
10096344	Covalent_Unit_Count	1
17581	Undefined_Atom_Stereo_Count	0
439306	Undefined_Atom_Stereo_Count	3
71555	Undefined_Bond_Stereo_Count	0
81472	Covalent_Unit_Count	1
512282	Non-hydrogen_Atom_Count	30
22629	Tautomer_Count	4
41870	Molecular_Weight	280.28
44576048	Isotope_Atom_Count	0
3906961	Mono_Isotopic_Weight	201.98101840
300385	Defined_Bond_Stereo_Count	0
37393	XLogP3-AA	8.6
11416	Isotope_Atom_Count	0
71674	XLogP3-AA	0.6
91453	Exact_Mass	430.30830982
87280891	Undefined_Bond_Stereo_Count	0
188205	Covalent_Unit_Count	1
342238	Isotope_Atom_Count	0
42602097	Molecular_Weight	424.9
137530132	Hydrogen_Bond_Acceptor_Count	5
53262279	Undefined_Atom_Stereo_Count	0
65775	Hydrogen_Bond_Donor_Count	0
7029	Hydrogen_Bond_Acceptor_Count	2
68260	Exact_Mass	210.140850574
208836	Non-hydrogen_Atom_Count	28
11263492	Covalent_Unit_Count	1
12564	Rotatable_Bond_Count	1
59116084	Rotatable_Bond_Count	1
71309	Isotope_Atom_Count	0
57358854	Defined_Atom_Stereo_Count	0
8370	Exact_Mass	283.810166
519239	Mono_Isotopic_Weight	85.089149355
79790	Covalent_Unit_Count	1
56473	Hydrogen_Bond_Acceptor_Count	3
396765	Hydrogen_Bond_Acceptor_Count	2
10967	Tautomer_Count	1
1034	Defined_Atom_Stereo_Count	0
58411	Covalent_Unit_Count	2
14527402	Non-hydrogen_Atom_Count	8
643976	Defined_Atom_Stereo_Count	3
55286731	Undefined_Bond_Stereo_Count	0
47499	Isotope_Atom_Count	0
76126	Isotope_Atom_Count	0
528603	Hydrogen_Bond_Donor_Count	1
53316407	Structure_Complexity	556
4431756	Hydrogen_Bond_Acceptor_Count	3
688387	Undefined_Atom_Stereo_Count	0
75777	Mono_Isotopic_Weight	187.063328530
11957669	Rotatable_Bond_Count	3
17050	TPSA	29.5
21579141	Defined_Bond_Stereo_Count	0
11597936	Defined_Bond_Stereo_Count	0
72712745	Undefined_Bond_Stereo_Count	0
10162742	Exact_Mass	478.30562448
68602320	Rotatable_Bond_Count	0
2324	Total_Formal_Charge	0
98675	Hydrogen_Bond_Acceptor_Count	1
62416539	XLogP3-AA	0.5
66950	Defined_Atom_Stereo_Count	0
69925	Mono_Isotopic_Weight	276.097041664
45271369	Defined_Bond_Stereo_Count	0
135938	Hydrogen_Bond_Donor_Count	1
3457331	Undefined_Bond_Stereo_Count	0
20607223	Non-hydrogen_Atom_Count	8
63019	Isotope_Atom_Count	0
137705114	Hydrogen_Bond_Acceptor_Count	5
30771	XLogP3-AA	3.2
544596	Total_Formal_Charge	0
4228493	Mono_Isotopic_Weight	118.0185425
154552978	Undefined_Atom_Stereo_Count	0
42552713	Total_Formal_Charge	0
3512	Tautomer_Count	2
67950444	Covalent_Unit_Count	1
71277	Rotatable_Bond_Count	10
89118	Isotope_Atom_Count	0
721137	Mono_Isotopic_Weight	292.0502366
16732314	Defined_Bond_Stereo_Count	0
13603	Covalent_Unit_Count	1
71671	Undefined_Atom_Stereo_Count	1
58460047	Structure_Complexity	860
637668	Undefined_Bond_Stereo_Count	0
712373	Mono_Isotopic_Weight	164.04081944
11954234	Exact_Mass	384.098915
5460044	Hydrogen_Bond_Donor_Count	6
11630874	Mono_Isotopic_Weight	305.01580707
257	Isotope_Atom_Count	0
443939	Total_Formal_Charge	0
15443631	Isotope_Atom_Count	0
6221	Exact_Mass	384.339216023
11061	Undefined_Atom_Stereo_Count	0
14020446	Covalent_Unit_Count	1
7190	Defined_Atom_Stereo_Count	0
69221	Defined_Bond_Stereo_Count	0
49866945	Molecular_Weight	663.3
2313	Non-hydrogen_Atom_Count	21
156617908	TPSA	190
69430	Hydrogen_Bond_Acceptor_Count	2
920	Defined_Bond_Stereo_Count	0
77611871	Hydrogen_Bond_Donor_Count	1
18777	Mono_Isotopic_Weight	637.10897582
5310985	Hydrogen_Bond_Acceptor_Count	4
161803	Exact_Mass	424.0956626
25190761	Undefined_Atom_Stereo_Count	0
71807	Defined_Atom_Stereo_Count	3
135409409	Undefined_Atom_Stereo_Count	0
3806	Exact_Mass	174.031694049
14336	Non-hydrogen_Atom_Count	14
58270057	Total_Formal_Charge	0
6433415	Rotatable_Bond_Count	2
20553328	Rotatable_Bond_Count	0
219095	Non-hydrogen_Atom_Count	30
80934	Total_Formal_Charge	0
89149682	Non-hydrogen_Atom_Count	7
15132	Isotope_Atom_Count	0
679386	Exact_Mass	276.05686342
86583	Rotatable_Bond_Count	4
53424410	Total_Formal_Charge	0
119196	Tautomer_Count	81
19420003	Structure_Complexity	141
20081031	Hydrogen_Bond_Acceptor_Count	5
50009	Mono_Isotopic_Weight	334.00659
20442	Covalent_Unit_Count	1
532928	Hydrogen_Bond_Donor_Count	0
1548943	XLogP3-AA	3.6
11115983	Hydrogen_Bond_Donor_Count	0
59296085	Undefined_Atom_Stereo_Count	0
9254	Hydrogen_Bond_Acceptor_Count	2
51030896	Non-hydrogen_Atom_Count	31
11416126	Hydrogen_Bond_Donor_Count	1
5311010	Rotatable_Bond_Count	18
77038	Hydrogen_Bond_Acceptor_Count	3
20648650	XLogP3-AA	0.2
9832253	Defined_Atom_Stereo_Count	1
55917	Mono_Isotopic_Weight	276.0777887
6086	Total_Formal_Charge	0
20624744	Hydrogen_Bond_Donor_Count	2
16129616	Hydrogen_Bond_Acceptor_Count	55
20054848	Isotope_Atom_Count	0
5928432	Rotatable_Bond_Count	19
55036	Structure_Complexity	593
21987892	Undefined_Atom_Stereo_Count	0
155742	Hydrogen_Bond_Donor_Count	1
92094	Defined_Bond_Stereo_Count	0
5288606	Total_Formal_Charge	0
97995	Tautomer_Count	1
1809	Molecular_Weight	203.24
82148	Molecular_Weight	243.30
12561969	Defined_Atom_Stereo_Count	0
19239	Undefined_Bond_Stereo_Count	0
2099	Molecular_Weight	294.35
50312	Defined_Atom_Stereo_Count	4
83952	Defined_Bond_Stereo_Count	0
657690	Undefined_Atom_Stereo_Count	0
135413505	TPSA	145
65902	Undefined_Bond_Stereo_Count	0
461003	Hydrogen_Bond_Donor_Count	3
449593	Defined_Atom_Stereo_Count	0
9796408	Hydrogen_Bond_Acceptor_Count	6
16113753	Hydrogen_Bond_Acceptor_Count	5
11377266	Exact_Mass	652.25532631
9841596	Tautomer_Count	1
28340	Exact_Mass	282.15795719
59296073	TPSA	111
82291	Molecular_Weight	93.55
73759809	XLogP3-AA	5.9
122239	Undefined_Atom_Stereo_Count	0
3780	Hydrogen_Bond_Acceptor_Count	8
18874	Undefined_Atom_Stereo_Count	0
10844345	Isotope_Atom_Count	0
661122	Exact_Mass	293.16404563
135413505	Molecular_Weight	346.20
12888	Isotope_Atom_Count	0
23866	Hydrogen_Bond_Acceptor_Count	0
439846	Exact_Mass	76.052429494
9930121	Structure_Complexity	381
54054	Total_Formal_Charge	0
7014	Defined_Bond_Stereo_Count	0
135400916	Non-hydrogen_Atom_Count	19
489	Hydrogen_Bond_Acceptor_Count	9
15166	Rotatable_Bond_Count	0
8520	Defined_Atom_Stereo_Count	0
69657	Total_Formal_Charge	0
10721	Exact_Mass	117.057849228
13062961	Structure_Complexity	79.3
51755	Structure_Complexity	500
127516	Defined_Bond_Stereo_Count	0
105054	Structure_Complexity	0
2723631	Undefined_Atom_Stereo_Count	0
446916	Non-hydrogen_Atom_Count	19
21998212	TPSA	52.3
54429344	TPSA	37.3
71380	TPSA	0
175533	Non-hydrogen_Atom_Count	34
726944	Undefined_Bond_Stereo_Count	0
135403802	TPSA	107
20055121	Isotope_Atom_Count	0
76971566	Defined_Bond_Stereo_Count	0
736312	Undefined_Bond_Stereo_Count	0
25021359	Non-hydrogen_Atom_Count	31
10613	Molecular_Weight	200.11
2762919	Covalent_Unit_Count	1
549699	Exact_Mass	98.073164938
71270	Undefined_Atom_Stereo_Count	2
77680	Undefined_Bond_Stereo_Count	0
95169	TPSA	40.2
71750	TPSA	58.7
10586	Hydrogen_Bond_Donor_Count	1
173636	Mono_Isotopic_Weight	394.0156982
451189	Hydrogen_Bond_Acceptor_Count	6
6405	Isotope_Atom_Count	0
11510567	Structure_Complexity	701
54605501	Isotope_Atom_Count	0
40466884	Defined_Bond_Stereo_Count	0
20653	Rotatable_Bond_Count	4
73951857	Non-hydrogen_Atom_Count	20
88547603	Undefined_Atom_Stereo_Count	2
70681028	TPSA	69.3
73449854	Structure_Complexity	1020
122361528	Structure_Complexity	1830
441300	Structure_Complexity	414
70443535	Non-hydrogen_Atom_Count	12
60648	Defined_Atom_Stereo_Count	1
9941444	TPSA	281
19427	Isotope_Atom_Count	0
91474	Structure_Complexity	663
79506	Mono_Isotopic_Weight	126.104465066
1130	Undefined_Atom_Stereo_Count	0
2212	Rotatable_Bond_Count	11
8018	Total_Formal_Charge	0
41912	Hydrogen_Bond_Donor_Count	1
17412	Defined_Bond_Stereo_Count	0
5458821	Exact_Mass	224.152477885
242332	Isotope_Atom_Count	0
11749858	Exact_Mass	397.16377084
11267045	Isotope_Atom_Count	0
86711	Tautomer_Count	1
51763	Defined_Bond_Stereo_Count	0
5362129	Isotope_Atom_Count	0
19918535	Structure_Complexity	65.1
118796997	Undefined_Bond_Stereo_Count	0
159220	Total_Formal_Charge	0
43233	TPSA	49.2
58880543	Defined_Bond_Stereo_Count	0
67656161	Rotatable_Bond_Count	1
44145008	Molecular_Weight	146.23
24884488	Undefined_Bond_Stereo_Count	0
5329102	Hydrogen_Bond_Donor_Count	3
135434844	Total_Formal_Charge	0
16049026	Mono_Isotopic_Weight	432.17189317
5282414	Isotope_Atom_Count	0
33473	Structure_Complexity	234
71718453	Exact_Mass	361.07661306
3267139	Rotatable_Bond_Count	6
656580	Mono_Isotopic_Weight	422.0283709
10178705	Undefined_Bond_Stereo_Count	0
156619056	Undefined_Atom_Stereo_Count	0
498142	Rotatable_Bond_Count	0
24688	Non-hydrogen_Atom_Count	8
16211986	Rotatable_Bond_Count	1
164685	Exact_Mass	493.98641756
16599	Molecular_Weight	458.0
49087	Total_Formal_Charge	0
177843	Non-hydrogen_Atom_Count	27
3924	Non-hydrogen_Atom_Count	17
5322111	Isotope_Atom_Count	0
20234359	Defined_Atom_Stereo_Count	0
43672	Defined_Atom_Stereo_Count	4
5776	Molecular_Weight	665.6
12202794	Defined_Bond_Stereo_Count	0
18954381	Undefined_Atom_Stereo_Count	1
18302	Defined_Atom_Stereo_Count	0
641773	TPSA	49.7
5282198	Molecular_Weight	266.4
71188	Hydrogen_Bond_Donor_Count	1
71515	Exact_Mass	176.143924578
146463800	Hydrogen_Bond_Acceptor_Count	2
443586	Mono_Isotopic_Weight	183.05315777
53705537	Defined_Atom_Stereo_Count	0
95362	Covalent_Unit_Count	1
67113727	Structure_Complexity	277
98043897	Total_Formal_Charge	0
104895	Defined_Atom_Stereo_Count	3
4714	Defined_Atom_Stereo_Count	0
94617	Undefined_Bond_Stereo_Count	0
54367722	Defined_Atom_Stereo_Count	0
11579721	Molecular_Weight	254.24
22563	Covalent_Unit_Count	1
88211	Molecular_Weight	92.16
32	Structure_Complexity	282
24884776	Molecular_Weight	442.6
10044423	Mono_Isotopic_Weight	366.05554326
23295846	Molecular_Weight	96.13
591	Hydrogen_Bond_Acceptor_Count	22
3595	Non-hydrogen_Atom_Count	27
25181577	Undefined_Atom_Stereo_Count	0
135209752	Non-hydrogen_Atom_Count	8
11957696	Mono_Isotopic_Weight	439.13582
243415	Molecular_Weight	115.17
413742	Covalent_Unit_Count	1
580753	Undefined_Bond_Stereo_Count	0
71652	Non-hydrogen_Atom_Count	23
18316	Exact_Mass	254.224580195
70679035	TPSA	13.7
85912645	TPSA	32.8
82273	Mono_Isotopic_Weight	554.03476131
4098	XLogP3-AA	2.6
5462306	Exact_Mass	297.13649347
5645	Tautomer_Count	1
10953443	Covalent_Unit_Count	1
6918295	Rotatable_Bond_Count	10
9964258	Isotope_Atom_Count	0
141225356	Covalent_Unit_Count	1
5766	Hydrogen_Bond_Donor_Count	0
5174	Structure_Complexity	259
44576048	Hydrogen_Bond_Donor_Count	2
1791111	Undefined_Bond_Stereo_Count	0
254656	Exact_Mass	198.07529019
11040724	Total_Formal_Charge	0
107915	Tautomer_Count	1
521593	Undefined_Bond_Stereo_Count	0
2582	Defined_Bond_Stereo_Count	0
643993	Defined_Atom_Stereo_Count	20
151449	XLogP3-AA	5.3
440053	Structure_Complexity	312
64781	Isotope_Atom_Count	0
73885	Non-hydrogen_Atom_Count	7
40467242	Isotope_Atom_Count	0
443405	Structure_Complexity	432
18730044	Hydrogen_Bond_Acceptor_Count	0
4206565	Hydrogen_Bond_Acceptor_Count	4
136121	Non-hydrogen_Atom_Count	6
6917839	Hydrogen_Bond_Donor_Count	2
138961	Undefined_Bond_Stereo_Count	0
6129	Defined_Atom_Stereo_Count	0
60359	TPSA	134
11409499	Defined_Bond_Stereo_Count	0
1562	Hydrogen_Bond_Donor_Count	3
27976	Molecular_Weight	368.22
7019277	Tautomer_Count	1
45934213	Total_Formal_Charge	0
78035	Non-hydrogen_Atom_Count	6
96780	Non-hydrogen_Atom_Count	17
12302	Isotope_Atom_Count	0
6323336	Undefined_Atom_Stereo_Count	0
130150721	Hydrogen_Bond_Donor_Count	1
124201874	Undefined_Bond_Stereo_Count	0
63893	Defined_Atom_Stereo_Count	0
16126651	Mono_Isotopic_Weight	440.19607403
1512660	Covalent_Unit_Count	1
55624	Total_Formal_Charge	0
173	Rotatable_Bond_Count	7
10773225	Rotatable_Bond_Count	1
15808	Non-hydrogen_Atom_Count	15
5311066	Molecular_Weight	416.5
21401558	TPSA	60.2
59286	Defined_Bond_Stereo_Count	0
80483237	Rotatable_Bond_Count	2
522086	Undefined_Atom_Stereo_Count	1
449107	Mono_Isotopic_Weight	531.30970680
100165	Isotope_Atom_Count	0
13081	Exact_Mass	341.9738580
160439	Undefined_Atom_Stereo_Count	0
10113	Hydrogen_Bond_Donor_Count	2
186114	Isotope_Atom_Count	0
6919175	Rotatable_Bond_Count	3
652	Tautomer_Count	1
19118	Exact_Mass	501.98813164
20587905	TPSA	23.8
306	Hydrogen_Bond_Acceptor_Count	6
51030897	Covalent_Unit_Count	1
36798	Structure_Complexity	225
441384	Defined_Atom_Stereo_Count	4
15652148	Isotope_Atom_Count	0
5281025	TPSA	222
994872	Hydrogen_Bond_Donor_Count	2
67246553	Molecular_Weight	372.4
76966485	Hydrogen_Bond_Donor_Count	8
57993933	Isotope_Atom_Count	0
46782362	Tautomer_Count	1
72200670	Defined_Atom_Stereo_Count	2
10295295	Undefined_Bond_Stereo_Count	0
224392	Hydrogen_Bond_Donor_Count	1
159271	Total_Formal_Charge	0
36688241	Rotatable_Bond_Count	8
135403634	Defined_Atom_Stereo_Count	0
786624	Structure_Complexity	346
22502	Defined_Atom_Stereo_Count	3
9837643	Isotope_Atom_Count	0
13549438	Molecular_Weight	161.00
14074	Non-hydrogen_Atom_Count	6
146158974	Undefined_Atom_Stereo_Count	8
11789141	Total_Formal_Charge	0
56955281	Defined_Bond_Stereo_Count	0
7464	Total_Formal_Charge	0
66647165	Molecular_Weight	131.09
12749319	XLogP3-AA	1.7
16278	Total_Formal_Charge	0
5892	Rotatable_Bond_Count	11
852344	Tautomer_Count	7
16213884	Hydrogen_Bond_Acceptor_Count	8
131843960	Defined_Atom_Stereo_Count	0
44455701	XLogP3-AA	3.8
2628	Isotope_Atom_Count	0
134837989	Mono_Isotopic_Weight	284.16237386
519642	Exact_Mass	110.01902136
295864	Structure_Complexity	157
547064	TPSA	9.2
8016	Defined_Bond_Stereo_Count	0
130515614	TPSA	20.2
56675697	Rotatable_Bond_Count	10
398631	Undefined_Atom_Stereo_Count	0
56463	Undefined_Atom_Stereo_Count	0
825744	Total_Formal_Charge	0
20072023	Defined_Bond_Stereo_Count	0
145567316	Undefined_Bond_Stereo_Count	0
44445387	Hydrogen_Bond_Acceptor_Count	4
9270	Rotatable_Bond_Count	5
135415794	Undefined_Bond_Stereo_Count	0
151473	Covalent_Unit_Count	1
57174031	Covalent_Unit_Count	1
15550385	Hydrogen_Bond_Acceptor_Count	3
32593	Mono_Isotopic_Weight	371.16968530
20652538	Structure_Complexity	97.5
13649426	Mono_Isotopic_Weight	248.1080262
58391580	XLogP3-AA	0.7
11843834	Undefined_Atom_Stereo_Count	0
44401138	Mono_Isotopic_Weight	421.16377084
101222073	TPSA	147
91419	Undefined_Atom_Stereo_Count	0
19100836	Covalent_Unit_Count	1
12434709	Hydrogen_Bond_Acceptor_Count	1
17377	Defined_Atom_Stereo_Count	0
72860	Defined_Bond_Stereo_Count	0
84098	Defined_Atom_Stereo_Count	0
102515495	Isotope_Atom_Count	0
8519	Defined_Atom_Stereo_Count	0
11789150	Covalent_Unit_Count	1
10930	Tautomer_Count	3
161588	Non-hydrogen_Atom_Count	8
56440	Covalent_Unit_Count	1
39763	Tautomer_Count	1
12428067	Rotatable_Bond_Count	2
72851	Hydrogen_Bond_Acceptor_Count	1
58207	Undefined_Bond_Stereo_Count	0
53232849	Rotatable_Bond_Count	0
12210270	Hydrogen_Bond_Acceptor_Count	2
519271	Covalent_Unit_Count	1
137796280	Total_Formal_Charge	0
11699	Undefined_Bond_Stereo_Count	0
448013	Molecular_Weight	507.7
57399614	Molecular_Weight	543.6
86398	Isotope_Atom_Count	0
81767	Undefined_Bond_Stereo_Count	0
25273237	Hydrogen_Bond_Donor_Count	2
27145	Mono_Isotopic_Weight	264.17254462
12896	Exact_Mass	242.08037557
24939268	Undefined_Atom_Stereo_Count	0
8068	Total_Formal_Charge	0
76519	Isotope_Atom_Count	0
42092	Rotatable_Bond_Count	2
57392965	Structure_Complexity	877
286	Total_Formal_Charge	0
44629456	Hydrogen_Bond_Donor_Count	6
83167	TPSA	132
6950248	Hydrogen_Bond_Donor_Count	1
13736253	Undefined_Bond_Stereo_Count	0
10662	Undefined_Atom_Stereo_Count	0
67944215	Exact_Mass	180.06338810
70689830	Undefined_Bond_Stereo_Count	0
29696	Defined_Atom_Stereo_Count	0
411817	Exact_Mass	282.1498911
1251	Defined_Atom_Stereo_Count	0
12097375	Undefined_Atom_Stereo_Count	1
20434638	Undefined_Atom_Stereo_Count	0
44565776	Exact_Mass	296.13855916
10747	Isotope_Atom_Count	0
53247304	Hydrogen_Bond_Acceptor_Count	2
2346	Structure_Complexity	132
865	Rotatable_Bond_Count	6
23625795	Molecular_Weight	588.2
8917	Covalent_Unit_Count	1
10780	Tautomer_Count	1
123071	Covalent_Unit_Count	1
76619	Defined_Bond_Stereo_Count	0
12205389	Isotope_Atom_Count	1
53326857	Non-hydrogen_Atom_Count	40
196	Mono_Isotopic_Weight	146.05790880
71587953	Isotope_Atom_Count	0
16640	Defined_Atom_Stereo_Count	0
44586930	Covalent_Unit_Count	1
9911830	Total_Formal_Charge	0
66755	Isotope_Atom_Count	0
43095	Tautomer_Count	1
139088888	Undefined_Atom_Stereo_Count	0
54655	TPSA	36.9
21917690	TPSA	27.7
22628	XLogP3-AA	2.2
143007	Defined_Bond_Stereo_Count	0
6435397	Isotope_Atom_Count	0
61144	Structure_Complexity	85.4
44567678	Covalent_Unit_Count	1
10472	Structure_Complexity	214
24744154	Total_Formal_Charge	0
12302681	TPSA	190
443037	Undefined_Atom_Stereo_Count	0
3403	Hydrogen_Bond_Donor_Count	3
19067979	Molecular_Weight	110.11
54003766	Structure_Complexity	113
155774	Tautomer_Count	10
11017	Defined_Bond_Stereo_Count	0
154269619	Non-hydrogen_Atom_Count	8
17945614	Total_Formal_Charge	0
16620	Exact_Mass	109.089149355
185199	Rotatable_Bond_Count	4
123618	XLogP3-AA	3.6
21093784	XLogP3-AA	2.7
7098680	Defined_Atom_Stereo_Count	2
8077	Defined_Bond_Stereo_Count	0
90658468	TPSA	72.8
12724397	Structure_Complexity	107
6824	Hydrogen_Bond_Donor_Count	1
162883448	Covalent_Unit_Count	1
90469695	TPSA	198
75471	Isotope_Atom_Count	0
401171	Defined_Bond_Stereo_Count	0
119342	Undefined_Atom_Stereo_Count	0
441073	Isotope_Atom_Count	0
71738	Defined_Bond_Stereo_Count	0
6433334	Undefined_Atom_Stereo_Count	0
3185	TPSA	87.8
90658992	Rotatable_Bond_Count	6
16402	Hydrogen_Bond_Donor_Count	2
4183883	Mono_Isotopic_Weight	139.123523487
688400	Total_Formal_Charge	0
9022	Undefined_Atom_Stereo_Count	0
436533	Defined_Bond_Stereo_Count	0
1437	Exact_Mass	322.25079494
11269297	Total_Formal_Charge	0
23661867	Hydrogen_Bond_Donor_Count	0
53833568	Non-hydrogen_Atom_Count	8
25217563	Undefined_Bond_Stereo_Count	0
123254	Hydrogen_Bond_Acceptor_Count	2
6093	Structure_Complexity	268
11029	Isotope_Atom_Count	0
67248272	Defined_Bond_Stereo_Count	0
67324	Defined_Atom_Stereo_Count	0
136187	Hydrogen_Bond_Donor_Count	1
7065	Structure_Complexity	298
55288840	Structure_Complexity	161
52109	Total_Formal_Charge	0
7463	Isotope_Atom_Count	0
5460348	Rotatable_Bond_Count	1
102491	Defined_Bond_Stereo_Count	0
133612130	Undefined_Bond_Stereo_Count	0
85653	Defined_Atom_Stereo_Count	0
69671	Isotope_Atom_Count	0
441451	Structure_Complexity	176
24867465	Non-hydrogen_Atom_Count	22
75866	Hydrogen_Bond_Acceptor_Count	1
183812	Structure_Complexity	649
9963894	Hydrogen_Bond_Acceptor_Count	44
18343	Hydrogen_Bond_Donor_Count	3
24729360	XLogP3-AA	2.9
247769	Hydrogen_Bond_Donor_Count	1
8391	Structure_Complexity	154
10917	Molecular_Weight	161.20
133025	Mono_Isotopic_Weight	228.07462149
151014	Non-hydrogen_Atom_Count	17
40894	Non-hydrogen_Atom_Count	7
472812	Exact_Mass	243.0523023
9576811	Tautomer_Count	8
6645	Mono_Isotopic_Weight	186.03506535
170327	TPSA	28.2
137815	Non-hydrogen_Atom_Count	8
2963764	Undefined_Atom_Stereo_Count	0
44560703	Hydrogen_Bond_Donor_Count	2
93706	Tautomer_Count	1
4604180	Total_Formal_Charge	0
102600842	Defined_Atom_Stereo_Count	3
44406	Molecular_Weight	382.7
5411	Hydrogen_Bond_Donor_Count	1
627386	Hydrogen_Bond_Donor_Count	1
59693	Hydrogen_Bond_Donor_Count	0
445621	Molecular_Weight	179.17
135503538	Hydrogen_Bond_Donor_Count	4
23158380	Exact_Mass	116.083729621
75743	Undefined_Atom_Stereo_Count	0
95997	Tautomer_Count	2
144804594	Non-hydrogen_Atom_Count	7
4285	XLogP3-AA	6.3
79502	Hydrogen_Bond_Acceptor_Count	3
73415789	Exact_Mass	524.0784474
894278	Undefined_Bond_Stereo_Count	0
7099	Defined_Bond_Stereo_Count	0
59295969	TPSA	145
41375	Defined_Atom_Stereo_Count	2
121763185	Non-hydrogen_Atom_Count	29
14342	Undefined_Bond_Stereo_Count	0
53665290	Molecular_Weight	108.10
73672	Rotatable_Bond_Count	7
4783	Rotatable_Bond_Count	10
22565	Mono_Isotopic_Weight	296.188863393
19549	Isotope_Atom_Count	0
53143	TPSA	132
135436537	Hydrogen_Bond_Acceptor_Count	9
14794988	Molecular_Weight	111.15
149519	Molecular_Weight	348.4
121755	Undefined_Bond_Stereo_Count	0
129864969	Rotatable_Bond_Count	2
26009888	Non-hydrogen_Atom_Count	8
73285	Hydrogen_Bond_Donor_Count	0
9868491	TPSA	76
5281080	TPSA	145
61041	Undefined_Bond_Stereo_Count	0
557737	Total_Formal_Charge	0
118210118	XLogP3-AA	0
93738	Total_Formal_Charge	0
2898877	Non-hydrogen_Atom_Count	24
7327	Undefined_Atom_Stereo_Count	0
17613	Isotope_Atom_Count	0
65506	Mono_Isotopic_Weight	536.30172086
439207	Defined_Atom_Stereo_Count	25
5311017	Non-hydrogen_Atom_Count	18
25099474	Exact_Mass	361.13388831
72277	Rotatable_Bond_Count	1
60154331	Molecular_Weight	360.21
7440	Undefined_Bond_Stereo_Count	0
10877064	Non-hydrogen_Atom_Count	8
6693	Undefined_Bond_Stereo_Count	0
10434	Undefined_Bond_Stereo_Count	0
15004	Rotatable_Bond_Count	11
23672302	Molecular_Weight	342.4
572717	XLogP3-AA	1.8
977	Rotatable_Bond_Count	0
91754427	Exact_Mass	726.07603
115071571	Exact_Mass	114.068079557
49769064	Total_Formal_Charge	0
20697237	Hydrogen_Bond_Donor_Count	0
25716	Exact_Mass	460.35526001
30278	Hydrogen_Bond_Donor_Count	1
98685	Defined_Atom_Stereo_Count	0
9826358	Rotatable_Bond_Count	6
60805	Molecular_Weight	504.5
20758492	Mono_Isotopic_Weight	483.96852877
821327	Total_Formal_Charge	0
63935844	Rotatable_Bond_Count	1
2412	Covalent_Unit_Count	1
67630	XLogP3-AA	0.8
13347992	Molecular_Weight	108.18
61660	Non-hydrogen_Atom_Count	10
861	Undefined_Atom_Stereo_Count	1
62514	Total_Formal_Charge	0
143683872	Defined_Atom_Stereo_Count	0
118984396	Covalent_Unit_Count	2
13382	Total_Formal_Charge	0
65924	Covalent_Unit_Count	1
66252	Undefined_Bond_Stereo_Count	0
15158	Undefined_Bond_Stereo_Count	0
12987	Hydrogen_Bond_Acceptor_Count	0
10341	TPSA	26.3
52948200	Non-hydrogen_Atom_Count	29
97383	Molecular_Weight	209.63
894	TPSA	166
18475804	Rotatable_Bond_Count	2
136738541	Non-hydrogen_Atom_Count	80
22138511	TPSA	18.5
255191	Hydrogen_Bond_Donor_Count	0
53317121	Rotatable_Bond_Count	1
17198	Hydrogen_Bond_Acceptor_Count	4
8108	Total_Formal_Charge	0
73698	Mono_Isotopic_Weight	236.083729621
23736	Hydrogen_Bond_Acceptor_Count	2
34231	Exact_Mass	669.14421716
12302689	Defined_Bond_Stereo_Count	0
28582	Undefined_Bond_Stereo_Count	0
25271790	Undefined_Bond_Stereo_Count	0
288862	Rotatable_Bond_Count	1
25263111	Structure_Complexity	687
121233058	Defined_Atom_Stereo_Count	0
54901	Structure_Complexity	622
2800647	Molecular_Weight	392.8
214804	Undefined_Atom_Stereo_Count	2
22049997	Exact_Mass	476.05471
15394	Molecular_Weight	84.12
24765256	Non-hydrogen_Atom_Count	53
3848	Molecular_Weight	166.17
4397	Structure_Complexity	509
11253	Non-hydrogen_Atom_Count	6
70926	Hydrogen_Bond_Donor_Count	2
166931	Tautomer_Count	1
71307528	Non-hydrogen_Atom_Count	73
161218	Hydrogen_Bond_Donor_Count	2
102358067	Isotope_Atom_Count	0
4164	Exact_Mass	271.06669983
85573568	Undefined_Atom_Stereo_Count	0
49865859	Rotatable_Bond_Count	5
1385	Mono_Isotopic_Weight	355.0645069
71602803	Exact_Mass	337.14264148
99080	Tautomer_Count	1
7065	TPSA	9.7
2724275	Covalent_Unit_Count	1
261824	Hydrogen_Bond_Donor_Count	2
71307528	Total_Formal_Charge	0
316542	Molecular_Weight	103.12
119095542	Isotope_Atom_Count	0
4937	Exact_Mass	229.1094232
657085	TPSA	124
28031	Rotatable_Bond_Count	2
6432709	Undefined_Bond_Stereo_Count	0
6871216	Mono_Isotopic_Weight	511.99526894
528630	Mono_Isotopic_Weight	115.099714038
123888456	Rotatable_Bond_Count	1
60196431	Molecular_Weight	361.3
12695785	Defined_Atom_Stereo_Count	0
54429344	Undefined_Bond_Stereo_Count	0
12164	Covalent_Unit_Count	1
9878679	Defined_Bond_Stereo_Count	0
54687420	Mono_Isotopic_Weight	249.03632541
4636051	Undefined_Atom_Stereo_Count	1
65171	Exact_Mass	247.123523487
21802862	Isotope_Atom_Count	0
75412563	Isotope_Atom_Count	0
2455	Molecular_Weight	421.3
17899	Hydrogen_Bond_Donor_Count	0
4224596	XLogP3	2.3
13035120	Total_Formal_Charge	0
4659570	Mono_Isotopic_Weight	277.191603044
66965363	Tautomer_Count	53
45104767	Undefined_Bond_Stereo_Count	0
1470	TPSA	87
62580	Undefined_Atom_Stereo_Count	0
1174	Isotope_Atom_Count	0
73672	Covalent_Unit_Count	1
86656004	Hydrogen_Bond_Acceptor_Count	3
53384597	Hydrogen_Bond_Acceptor_Count	4
237031	Hydrogen_Bond_Donor_Count	1
63403	Hydrogen_Bond_Acceptor_Count	4
34192	Rotatable_Bond_Count	5
12149091	Non-hydrogen_Atom_Count	42
44308073	Undefined_Bond_Stereo_Count	0
704316	XLogP3-AA	2
10201696	Mono_Isotopic_Weight	411.26342531
68322203	Rotatable_Bond_Count	2
12349471	XLogP3-AA	0.8
91749	Hydrogen_Bond_Donor_Count	1
157921	Isotope_Atom_Count	0
5284604	Undefined_Atom_Stereo_Count	0
52948643	Hydrogen_Bond_Acceptor_Count	5
156615632	Hydrogen_Bond_Donor_Count	8
12303	Mono_Isotopic_Weight	102.079312947
74080	Defined_Bond_Stereo_Count	0
18755011	Hydrogen_Bond_Donor_Count	1
54292763	Mono_Isotopic_Weight	102.068079557
23441	TPSA	74.6
11985	Total_Formal_Charge	0
55289472	Non-hydrogen_Atom_Count	7
24608	Hydrogen_Bond_Acceptor_Count	2
18762609	Total_Formal_Charge	0
119361	Molecular_Weight	312.2
53323740	Structure_Complexity	373
37083	Defined_Atom_Stereo_Count	6
22576	Total_Formal_Charge	0
141678430	Hydrogen_Bond_Donor_Count	8
135400916	Total_Formal_Charge	0
5491295	Undefined_Bond_Stereo_Count	0
99010	XLogP3-AA	2.5
54751657	Structure_Complexity	971
135400183	Covalent_Unit_Count	1
64991794	TPSA	29.1
12635750	Isotope_Atom_Count	0
9953769	Hydrogen_Bond_Donor_Count	1
62436	Total_Formal_Charge	0
8483	Molecular_Weight	215.23
14597941	Molecular_Weight	100.12
71456722	Covalent_Unit_Count	1
123260325	Hydrogen_Bond_Donor_Count	1
21977681	Rotatable_Bond_Count	6
53262401	Structure_Complexity	653
441411	Molecular_Weight	219.66
11315446	Undefined_Atom_Stereo_Count	0
75258	Rotatable_Bond_Count	2
98	Rotatable_Bond_Count	2
4552	Molecular_Weight	362.23
450591	Total_Formal_Charge	0
124427925	Covalent_Unit_Count	1
122081	Molecular_Weight	712.8
46203391	Defined_Atom_Stereo_Count	0
6369390	Exact_Mass	78.99489136
9571009	Exact_Mass	222.06742811
117891679	Structure_Complexity	133
5282367	Undefined_Atom_Stereo_Count	0
15778463	Covalent_Unit_Count	1
442549	Defined_Atom_Stereo_Count	1
424353	Non-hydrogen_Atom_Count	29
564666	Total_Formal_Charge	0
3086671	Rotatable_Bond_Count	4
12994	Exact_Mass	78.021798072
126963478	Undefined_Atom_Stereo_Count	0
13432443	Undefined_Bond_Stereo_Count	0
73181638	Structure_Complexity	574
25887	Hydrogen_Bond_Acceptor_Count	4
14989494	Covalent_Unit_Count	1
23673837	Defined_Bond_Stereo_Count	0
8287	Mono_Isotopic_Weight	361.1618684
3038481	Hydrogen_Bond_Donor_Count	1
91071011	Exact_Mass	386.260965704
5282414	Covalent_Unit_Count	2
22889103	Hydrogen_Bond_Donor_Count	1
106999	Isotope_Atom_Count	0
16371051	Structure_Complexity	532
18323	TPSA	119
145458139	Undefined_Bond_Stereo_Count	0
2759255	Rotatable_Bond_Count	4
8946	Non-hydrogen_Atom_Count	10
6918160	Mono_Isotopic_Weight	373.22530847
146159872	Molecular_Weight	905.0
9979	Defined_Atom_Stereo_Count	0
5282944	Total_Formal_Charge	0
71401	Isotope_Atom_Count	0
129627254	Non-hydrogen_Atom_Count	45
4937	Total_Formal_Charge	0
54676537	Undefined_Atom_Stereo_Count	1
3015937	Structure_Complexity	104
62351	Exact_Mass	147.01764164
447076	Exact_Mass	395.19573968
2778574	Hydrogen_Bond_Acceptor_Count	5
3415	Structure_Complexity	120
84088	Defined_Bond_Stereo_Count	0
11636795	Isotope_Atom_Count	0
5284380	Defined_Bond_Stereo_Count	0
23456	Mono_Isotopic_Weight	246.136827821
39727	Undefined_Bond_Stereo_Count	0
55482	Hydrogen_Bond_Acceptor_Count	4
105709961	Hydrogen_Bond_Donor_Count	1
3835970	Defined_Bond_Stereo_Count	0
11517020	TPSA	93.7
1382043	Mono_Isotopic_Weight	107.048347172
10297065	Non-hydrogen_Atom_Count	30
556306	Non-hydrogen_Atom_Count	8
23064418	Defined_Bond_Stereo_Count	0
13879722	Total_Formal_Charge	0
79267	Isotope_Atom_Count	0
17753880	Covalent_Unit_Count	1
60139	TPSA	432
25245437	Defined_Bond_Stereo_Count	1
18195	TPSA	88
441082	Isotope_Atom_Count	0
53815669	Undefined_Atom_Stereo_Count	0
38779	Rotatable_Bond_Count	7
20684416	Covalent_Unit_Count	1
15166013	Mono_Isotopic_Weight	112.074896272
9552071	Undefined_Atom_Stereo_Count	0
4202286	Hydrogen_Bond_Donor_Count	10
76771601	Undefined_Atom_Stereo_Count	1
38298	Undefined_Atom_Stereo_Count	0
77430	Hydrogen_Bond_Donor_Count	2
139584807	Undefined_Atom_Stereo_Count	0
33039	Mono_Isotopic_Weight	244.08593506
101254312	Defined_Atom_Stereo_Count	5
38037	Molecular_Weight	257.5
1066	TPSA	87.5
6424	Exact_Mass	309.80265
79804	Non-hydrogen_Atom_Count	7
11033	Defined_Atom_Stereo_Count	0
1804	Hydrogen_Bond_Donor_Count	1
3021	Undefined_Atom_Stereo_Count	13
70695665	Tautomer_Count	3
44181920	Undefined_Atom_Stereo_Count	1
145454	Covalent_Unit_Count	1
65820	Exact_Mass	499.27225866
23403	Molecular_Weight	294.5
103023	Structure_Complexity	128
21145806	Defined_Bond_Stereo_Count	0
6554	Undefined_Atom_Stereo_Count	1
32281	Structure_Complexity	597
220272	Tautomer_Count	7
3016570	Rotatable_Bond_Count	0
2977	Mono_Isotopic_Weight	314.224580195
11476467	Undefined_Bond_Stereo_Count	0
123070	Exact_Mass	20.0564071114
32731	Hydrogen_Bond_Acceptor_Count	6
109198	Isotope_Atom_Count	0
17672	XLogP3-AA	7.9
521196	XLogP3-AA	2.1
443376	Structure_Complexity	2330
42373	Isotope_Atom_Count	0
142798	Hydrogen_Bond_Donor_Count	0
47297	Defined_Bond_Stereo_Count	0
23675349	Covalent_Unit_Count	2
5288527	Total_Formal_Charge	0
45085022	Non-hydrogen_Atom_Count	8
1582	Undefined_Atom_Stereo_Count	4
84986	Mono_Isotopic_Weight	210.0798001
102959	Exact_Mass	182.05790880
50993724	Structure_Complexity	397
12451640	Covalent_Unit_Count	1
2734217	Exact_Mass	393.258537150
141897	Tautomer_Count	1
54544033	Exact_Mass	418.0570545
3567443	Structure_Complexity	305
14800	Undefined_Atom_Stereo_Count	0
20545753	Mono_Isotopic_Weight	105.078978594
2758873	Rotatable_Bond_Count	1
28166	Total_Formal_Charge	0
11500973	Non-hydrogen_Atom_Count	23
135408763	Rotatable_Bond_Count	0
547031	Hydrogen_Bond_Donor_Count	2
132031748	Hydrogen_Bond_Donor_Count	1
627386	Covalent_Unit_Count	1
3677	Tautomer_Count	1
2808988	Exact_Mass	311.12699141
17948845	Hydrogen_Bond_Acceptor_Count	3
135449332	Hydrogen_Bond_Donor_Count	3
516951	Hydrogen_Bond_Acceptor_Count	4
23685849	Rotatable_Bond_Count	7
136051299	Covalent_Unit_Count	1
4039	Undefined_Atom_Stereo_Count	0
13652343	Mono_Isotopic_Weight	899.857932
377	Defined_Bond_Stereo_Count	0
9414	Isotope_Atom_Count	0
123998	Rotatable_Bond_Count	23
34364440	Isotope_Atom_Count	0
10111431	Defined_Bond_Stereo_Count	0
28761	Mono_Isotopic_Weight	357.16885622
146468	TPSA	41.8
20350152	XLogP3-AA	0.6
103451287	Undefined_Bond_Stereo_Count	0
643606	Total_Formal_Charge	0
24822701	Undefined_Atom_Stereo_Count	0
12102	Rotatable_Bond_Count	1
6917663	Exact_Mass	247.193614421
666673	Structure_Complexity	729
62787	Isotope_Atom_Count	0
70922	Hydrogen_Bond_Acceptor_Count	2
3083544	Defined_Atom_Stereo_Count	2
16129809	Isotope_Atom_Count	0
10297043	Defined_Atom_Stereo_Count	1
9984374	Hydrogen_Bond_Acceptor_Count	12
122877	Undefined_Bond_Stereo_Count	0
68667	Defined_Bond_Stereo_Count	0
7683	Structure_Complexity	141
22836365	Structure_Complexity	151
101451270	Defined_Atom_Stereo_Count	4
15278234	Defined_Bond_Stereo_Count	0
11072675	Hydrogen_Bond_Acceptor_Count	1
5536	Isotope_Atom_Count	0
117601215	Hydrogen_Bond_Acceptor_Count	4
96929	Exact_Mass	217.110278721
6028462	Molecular_Weight	84.12
14454	Covalent_Unit_Count	1
45934481	Isotope_Atom_Count	0
111314	Total_Formal_Charge	0
12591942	Tautomer_Count	1
4630913	Tautomer_Count	1
13346655	TPSA	26.3
54173442	Undefined_Atom_Stereo_Count	0
2812423	Covalent_Unit_Count	1
11542775	Rotatable_Bond_Count	3
30175	Rotatable_Bond_Count	1
10686	Rotatable_Bond_Count	0
49865918	Mono_Isotopic_Weight	338.17427596
24762228	Undefined_Bond_Stereo_Count	0
5484727	Covalent_Unit_Count	1
164888	Undefined_Atom_Stereo_Count	0
101130	Isotope_Atom_Count	0
126755973	Rotatable_Bond_Count	0
97127	Hydrogen_Bond_Donor_Count	0
56841980	Non-hydrogen_Atom_Count	47
775	Tautomer_Count	8
10964334	Exact_Mass	1388.93119660
53728104	Undefined_Bond_Stereo_Count	0
68109743	Isotope_Atom_Count	0
44144393	Undefined_Bond_Stereo_Count	0
193846	Exact_Mass	441.12058587
9257	Tautomer_Count	2
9917013	Isotope_Atom_Count	0
69110	Rotatable_Bond_Count	1
6436055	Exact_Mass	453.07767569
99057	Defined_Atom_Stereo_Count	0
493082	Hydrogen_Bond_Acceptor_Count	6
16490	Mono_Isotopic_Weight	410.19048031
17806258	Exact_Mass	107.037113783
5289613	Exact_Mass	234.05282342
137213562	Undefined_Bond_Stereo_Count	0
88365	Hydrogen_Bond_Donor_Count	0
12122109	Undefined_Atom_Stereo_Count	0
6962	Non-hydrogen_Atom_Count	16
64765	TPSA	4.2
77048	Isotope_Atom_Count	0
88283211	Undefined_Bond_Stereo_Count	0
54889	Hydrogen_Bond_Donor_Count	3
4342	Defined_Bond_Stereo_Count	0
56658435	Undefined_Bond_Stereo_Count	0
11546620	Undefined_Bond_Stereo_Count	0
11971580	Undefined_Atom_Stereo_Count	3
50914184	TPSA	30.7
85743571	Isotope_Atom_Count	0
13163928	Molecular_Weight	112.13
129671755	Isotope_Atom_Count	0
21989159	Defined_Bond_Stereo_Count	0
56675695	Defined_Atom_Stereo_Count	0
133083079	Molecular_Weight	1827.0
123304439	Rotatable_Bond_Count	1
6038	Molecular_Weight	145.16
2741326	Structure_Complexity	227
3085389	Rotatable_Bond_Count	6
5889665	Hydrogen_Bond_Acceptor_Count	4
16218740	Undefined_Bond_Stereo_Count	0
3035044	Undefined_Atom_Stereo_Count	0
5311024	Defined_Bond_Stereo_Count	0
119098022	Isotope_Atom_Count	0
13082452	Mono_Isotopic_Weight	114.068079557
700140	Undefined_Atom_Stereo_Count	0
157917	Molecular_Weight	648.2
445501	XLogP3-AA	3.1
8992	Hydrogen_Bond_Donor_Count	2
10708	Tautomer_Count	1
3844264	TPSA	126
439182	Defined_Atom_Stereo_Count	4
31357	Undefined_Atom_Stereo_Count	0
45085029	Covalent_Unit_Count	1
156591873	Undefined_Atom_Stereo_Count	6
56840904	Covalent_Unit_Count	3
2734241	Hydrogen_Bond_Donor_Count	0
163943218	Structure_Complexity	92.5
7192	Undefined_Atom_Stereo_Count	0
139077515	Non-hydrogen_Atom_Count	48
20438510	Exact_Mass	98.084398327
67054	Non-hydrogen_Atom_Count	12
9528	Tautomer_Count	1
5988	Isotope_Atom_Count	0
14113	Total_Formal_Charge	0
67511	Exact_Mass	86.036779430
18506394	Hydrogen_Bond_Acceptor_Count	2
68576	Rotatable_Bond_Count	3
81653	Mono_Isotopic_Weight	101.120449483
6697	TPSA	17.1
47955	Total_Formal_Charge	0
77676	Undefined_Atom_Stereo_Count	0
9158	XLogP3	6.4
58320	Covalent_Unit_Count	1
159982	Defined_Bond_Stereo_Count	0
22153558	Total_Formal_Charge	0
29863	Rotatable_Bond_Count	2
131287	Isotope_Atom_Count	0
15051325	Covalent_Unit_Count	1
39106	Defined_Bond_Stereo_Count	0
96095	Total_Formal_Charge	0
94154	Isotope_Atom_Count	0
49864533	Defined_Bond_Stereo_Count	0
10176120	Covalent_Unit_Count	1
91019	Isotope_Atom_Count	0
13447028	Molecular_Weight	111.14
7077	TPSA	12.5
65111	Structure_Complexity	123
67175581	Undefined_Atom_Stereo_Count	0
9565	XLogP3	0.9
11073365	Isotope_Atom_Count	0
60196314	Defined_Bond_Stereo_Count	0
13032471	Covalent_Unit_Count	1
18617909	Covalent_Unit_Count	1
39784	Isotope_Atom_Count	0
5288679	Molecular_Weight	384.4
8561	Isotope_Atom_Count	0
1364	XLogP3-AA	6.2
58935140	Molecular_Weight	85.10
28858	Defined_Bond_Stereo_Count	0
71395877	Isotope_Atom_Count	0
25074887	Defined_Atom_Stereo_Count	10
429571	Total_Formal_Charge	0
23642227	Exact_Mass	580.28969963
119583	Exact_Mass	613.1838501
567	Undefined_Atom_Stereo_Count	0
77408	Hydrogen_Bond_Acceptor_Count	1
11520894	Exact_Mass	989.56294335
3440	Molecular_Weight	330.74
76118117	Exact_Mass	113.047678466
123642	Isotope_Atom_Count	0
230373	Non-hydrogen_Atom_Count	7
156333	Hydrogen_Bond_Acceptor_Count	4
399895	Defined_Bond_Stereo_Count	0
21447199	Structure_Complexity	66.5
16066663	Covalent_Unit_Count	1
8396	Mono_Isotopic_Weight	176.120115130
68549	Rotatable_Bond_Count	8
63245	Undefined_Bond_Stereo_Count	0
118701518	XLogP3-AA	3.8
2368	Hydrogen_Bond_Donor_Count	2
62719	Mono_Isotopic_Weight	218.13382109
56149	TPSA	46.5
53324128	Total_Formal_Charge	0
18160	Hydrogen_Bond_Donor_Count	0
638083	Undefined_Atom_Stereo_Count	0
53425533	Covalent_Unit_Count	1
94169	Tautomer_Count	1
12798	Tautomer_Count	3
11510	Hydrogen_Bond_Donor_Count	2
78255	Undefined_Atom_Stereo_Count	0
71351	Mono_Isotopic_Weight	420.19615422
632910	Hydrogen_Bond_Acceptor_Count	1
12672856	Defined_Atom_Stereo_Count	0
61230	Defined_Atom_Stereo_Count	0
107641	Hydrogen_Bond_Acceptor_Count	3
67249135	Structure_Complexity	712
4736391	Hydrogen_Bond_Donor_Count	0
11476710	Mono_Isotopic_Weight	460.1180685
1412	Undefined_Atom_Stereo_Count	1
6918545	Covalent_Unit_Count	5
8373	Undefined_Bond_Stereo_Count	0
12196071	Isotope_Atom_Count	0
88977	Non-hydrogen_Atom_Count	23
118969738	Mono_Isotopic_Weight	113.03892530
39688	Structure_Complexity	450
2010	Defined_Bond_Stereo_Count	0
135935707	Undefined_Bond_Stereo_Count	0
165360154	Exact_Mass	846.1243199
32249	Hydrogen_Bond_Donor_Count	1
129726370	Hydrogen_Bond_Acceptor_Count	2
118052411	Structure_Complexity	382
66330	XLogP3	3
57721	Exact_Mass	485.22609631
57869404	Mono_Isotopic_Weight	114.104465066
482317	Undefined_Atom_Stereo_Count	0
436515	Defined_Atom_Stereo_Count	0
60560	Rotatable_Bond_Count	7
1315	Defined_Bond_Stereo_Count	0
146468	Mono_Isotopic_Weight	182.084398327
136400	Non-hydrogen_Atom_Count	13
15615	XLogP3-AA	0
810229	Total_Formal_Charge	0
18717626	Structure_Complexity	50
9916195	Rotatable_Bond_Count	7
445212	Exact_Mass	252.11100700
15402	Total_Formal_Charge	0
362096	Covalent_Unit_Count	1
11503972	Exact_Mass	324.14739250
3531736	TPSA	69.9
22675	Undefined_Atom_Stereo_Count	1
96735	Tautomer_Count	1
31716	TPSA	0
45488106	Undefined_Atom_Stereo_Count	0
143055379	Hydrogen_Bond_Donor_Count	0
12291	Undefined_Bond_Stereo_Count	0
76459	Defined_Bond_Stereo_Count	0
492405	TPSA	84.6
9073	Non-hydrogen_Atom_Count	23
6767	Mono_Isotopic_Weight	350.15180918
9867361	Covalent_Unit_Count	1
1319	Undefined_Atom_Stereo_Count	3
4534	Total_Formal_Charge	0
2562	Hydrogen_Bond_Acceptor_Count	4
5352438	Structure_Complexity	139
50094	Defined_Bond_Stereo_Count	0
2376	Defined_Atom_Stereo_Count	0
155907170	TPSA	186
35331	TPSA	13.1
11735999	Undefined_Atom_Stereo_Count	0
40430269	Exact_Mass	345.18143228
89512131	Molecular_Weight	371.8
638088	Defined_Bond_Stereo_Count	1
23369154	Structure_Complexity	82.1
5473758	Non-hydrogen_Atom_Count	27
688570	Covalent_Unit_Count	1
25200298	Defined_Bond_Stereo_Count	4
132157	Defined_Atom_Stereo_Count	0
8446	Exact_Mass	149.02992040
4885	Total_Formal_Charge	0
21248212	Covalent_Unit_Count	1
90863456	XLogP3-AA	2.8
146472812	XLogP3-AA	4.4
8103	Tautomer_Count	1
160565	Non-hydrogen_Atom_Count	21
124426477	Isotope_Atom_Count	0
22162	Defined_Atom_Stereo_Count	0
10977	Tautomer_Count	1
9854073	Hydrogen_Bond_Donor_Count	3
14985552	Undefined_Atom_Stereo_Count	0
57399440	Total_Formal_Charge	0
83424	Mono_Isotopic_Weight	378.13280507
10235	Total_Formal_Charge	0
10131269	Mono_Isotopic_Weight	254.0345865
9960569	Exact_Mass	613.33765288
164167667	Covalent_Unit_Count	1
97234	Structure_Complexity	192
6604492	Molecular_Weight	525.6
10244018	TPSA	66.8
135876149	Hydrogen_Bond_Donor_Count	6
731361	Undefined_Bond_Stereo_Count	1
66683197	Mono_Isotopic_Weight	325.15904043
6539039	Total_Formal_Charge	0
12732837	Structure_Complexity	162
15474	Defined_Bond_Stereo_Count	0
23688987	Exact_Mass	251.99160210
37768	TPSA	332
123535886	Rotatable_Bond_Count	0
19392414	Defined_Bond_Stereo_Count	0
13512560	Non-hydrogen_Atom_Count	12
38307	Total_Formal_Charge	0
57625	Defined_Atom_Stereo_Count	0
141770945	Defined_Atom_Stereo_Count	0
20483578	Molecular_Weight	112.13
87439	Total_Formal_Charge	0
91612	Covalent_Unit_Count	1
60155459	Covalent_Unit_Count	1
69190	Non-hydrogen_Atom_Count	12
56659844	Mono_Isotopic_Weight	457.22262313
77857	Structure_Complexity	316
289539	Mono_Isotopic_Weight	113.047678466
6451	TPSA	92.2
19829703	Structure_Complexity	78.9
55301151	Isotope_Atom_Count	0
27868	Hydrogen_Bond_Acceptor_Count	2
818256	Undefined_Bond_Stereo_Count	0
136873	Isotope_Atom_Count	0
4046	Tautomer_Count	1
12563179	Structure_Complexity	156
56955286	TPSA	58.7
62683	Structure_Complexity	2
4015	Defined_Bond_Stereo_Count	0
59957929	Isotope_Atom_Count	0
222548	Mono_Isotopic_Weight	361.875716
75879	Defined_Atom_Stereo_Count	0
57396625	TPSA	48.4
1148	Undefined_Atom_Stereo_Count	1
6368	Undefined_Atom_Stereo_Count	0
95866	Defined_Atom_Stereo_Count	0
27665	TPSA	12.9
281	Undefined_Atom_Stereo_Count	0
67619	Hydrogen_Bond_Donor_Count	0
66036956	XLogP3-AA	0
6437387	Molecular_Weight	416.6
165777539	Isotope_Atom_Count	0
72652	Exact_Mass	309.09766318
86309268	Rotatable_Bond_Count	3
5278	Exact_Mass	390.00153
25074469	Hydrogen_Bond_Acceptor_Count	21
5284484	Molecular_Weight	275.8
34829729	Total_Formal_Charge	0
13393280	Covalent_Unit_Count	1
13437467	Structure_Complexity	72.1
25151352	Defined_Bond_Stereo_Count	0
47608	Exact_Mass	269.12766012
8174	Tautomer_Count	1
58618968	Total_Formal_Charge	0
52944459	Molecular_Weight	381.4
161091	Total_Formal_Charge	0
129830140	Total_Formal_Charge	0
57398254	Undefined_Bond_Stereo_Count	0
18921	Hydrogen_Bond_Donor_Count	0
67873	Defined_Bond_Stereo_Count	0
5363355	Non-hydrogen_Atom_Count	22
6918498	Defined_Atom_Stereo_Count	0
6857473	Defined_Bond_Stereo_Count	0
11245456	Structure_Complexity	572
67482131	XLogP3-AA	1.2
54678431	Molecular_Weight	398.5
5280934	Structure_Complexity	301
12687005	Molecular_Weight	303.4
67534	Undefined_Bond_Stereo_Count	0
4011971	Defined_Atom_Stereo_Count	0
643203	Undefined_Bond_Stereo_Count	0
21158881	Undefined_Bond_Stereo_Count	0
102515495	Mono_Isotopic_Weight	300.10314491
5886	Exact_Mass	744.08327848
12251	Tautomer_Count	1
642110	Hydrogen_Bond_Donor_Count	1
137814	Covalent_Unit_Count	1
2077	XLogP3-AA	2.1
81946	Structure_Complexity	268
40634	TPSA	66.8
12771232	Hydrogen_Bond_Donor_Count	1
88974141	Total_Formal_Charge	0
115162	Undefined_Bond_Stereo_Count	0
56841889	Defined_Bond_Stereo_Count	1
5281249	Total_Formal_Charge	0
16132441	Mono_Isotopic_Weight	6981.0038343
19989301	Total_Formal_Charge	0
9917013	Hydrogen_Bond_Donor_Count	2
10455	Defined_Atom_Stereo_Count	0
18008584	Undefined_Bond_Stereo_Count	0
21236	Undefined_Atom_Stereo_Count	0
12702413	Isotope_Atom_Count	0
4639	Defined_Bond_Stereo_Count	0
114751	Undefined_Atom_Stereo_Count	2
16318	XLogP3	8.3
54046888	TPSA	31.2
823887	Non-hydrogen_Atom_Count	20
11966	Rotatable_Bond_Count	4
65817	Exact_Mass	228.183778013
752609	TPSA	77.1
3035016	TPSA	177
54598431	Isotope_Atom_Count	0
20281045	Hydrogen_Bond_Donor_Count	0
6420038	Rotatable_Bond_Count	7
44339135	Exact_Mass	547.14224784
16134627	Non-hydrogen_Atom_Count	128
89800161	Covalent_Unit_Count	1
31310	Undefined_Bond_Stereo_Count	0
108078	Covalent_Unit_Count	1
72200668	Structure_Complexity	491
71218	Defined_Atom_Stereo_Count	0
1548954	XLogP3-AA	7.2
78145	Non-hydrogen_Atom_Count	10
714	Isotope_Atom_Count	0
75947	Exact_Mass	219.9281244
87244770	Total_Formal_Charge	0
11954319	Rotatable_Bond_Count	4
92247	Mono_Isotopic_Weight	368.401816278
637927	Rotatable_Bond_Count	2
52022	XLogP3-AA	5.2
89129308	Molecular_Weight	114.19
23724914	Non-hydrogen_Atom_Count	120
4667	Rotatable_Bond_Count	6
24807614	Total_Formal_Charge	0
22951170	Rotatable_Bond_Count	0
17344	Defined_Atom_Stereo_Count	0
129861997	Mono_Isotopic_Weight	99.02327524
20697439	Structure_Complexity	88.5
472946	Hydrogen_Bond_Donor_Count	1
17111	Mono_Isotopic_Weight	143.094628657
46225290	Covalent_Unit_Count	1
12149454	Molecular_Weight	310.37
7272	Total_Formal_Charge	0
83996	Total_Formal_Charge	0
70235	Mono_Isotopic_Weight	98.073164938
135398645	Defined_Bond_Stereo_Count	0
11976122	XLogP3-AA	5.2
81821	Exact_Mass	242.167065321
74867	Non-hydrogen_Atom_Count	17
42827	Defined_Bond_Stereo_Count	0
11126249	Total_Formal_Charge	0
2192	Isotope_Atom_Count	0
20667	Covalent_Unit_Count	1
12939	Exact_Mass	348.24129289
7400	Hydrogen_Bond_Acceptor_Count	3
7172	Undefined_Atom_Stereo_Count	1
375860	Hydrogen_Bond_Acceptor_Count	5
441398	Total_Formal_Charge	0
909750	Exact_Mass	341.18517499
25102847	Undefined_Bond_Stereo_Count	0
442632	Hydrogen_Bond_Acceptor_Count	1
68062720	Undefined_Atom_Stereo_Count	1
89728	Undefined_Atom_Stereo_Count	0
66573	Mono_Isotopic_Weight	240.089877630
20190406	Undefined_Bond_Stereo_Count	0
14539800	Isotope_Atom_Count	0
141814359	Total_Formal_Charge	0
70693116	Structure_Complexity	758
57228285	TPSA	65.2
135398650	Total_Formal_Charge	0
18049	Exact_Mass	118.099379685
10996979	Covalent_Unit_Count	1
4684505	Undefined_Atom_Stereo_Count	0
30107	Tautomer_Count	2
1803	Mono_Isotopic_Weight	243.08552052
1792	Defined_Bond_Stereo_Count	0
13483371	Isotope_Atom_Count	0
6627	Undefined_Atom_Stereo_Count	0
25588	Defined_Bond_Stereo_Count	0
104902	Exact_Mass	720.40329008
34260	Covalent_Unit_Count	1
53384391	Exact_Mass	1456.4334786
63055	Defined_Bond_Stereo_Count	0
62328	Structure_Complexity	264
57395613	Defined_Bond_Stereo_Count	0
11309	TPSA	0
23265	Covalent_Unit_Count	1
57558284	Undefined_Bond_Stereo_Count	0
815404	Undefined_Atom_Stereo_Count	0
6521	Total_Formal_Charge	0
38882	Hydrogen_Bond_Donor_Count	4
134689750	Rotatable_Bond_Count	9
71600	Hydrogen_Bond_Acceptor_Count	2
5281437	Tautomer_Count	1
6185	Defined_Bond_Stereo_Count	0
54391876	Covalent_Unit_Count	1
158432	Exact_Mass	313.03348495
50986266	Molecular_Weight	99.13
288549	Hydrogen_Bond_Donor_Count	0
3005587	Undefined_Bond_Stereo_Count	0
132274874	Rotatable_Bond_Count	15
11768518	TPSA	29.5
6891	Non-hydrogen_Atom_Count	13
70090	Molecular_Weight	159.89
101249755	Non-hydrogen_Atom_Count	25
20234359	Covalent_Unit_Count	1
12298558	Exact_Mass	115.063328530
8556	Exact_Mass	334.00074133
67556876	Exact_Mass	388.29774513
8456	Undefined_Bond_Stereo_Count	0
151896	Undefined_Atom_Stereo_Count	0
10631872	Isotope_Atom_Count	0
97234	TPSA	74.5
69695	Rotatable_Bond_Count	2
10475	Molecular_Weight	133.886
13398	Defined_Bond_Stereo_Count	0
143562	Total_Formal_Charge	0
20849290	TPSA	37.3
54880	Tautomer_Count	1
52348	Non-hydrogen_Atom_Count	14
4634922	Covalent_Unit_Count	1
57401369	Total_Formal_Charge	0
26130	Rotatable_Bond_Count	1
59296081	Covalent_Unit_Count	1
22760862	Defined_Bond_Stereo_Count	0
88391334	XLogP3-AA	1
76319	Hydrogen_Bond_Acceptor_Count	1
16994	Exact_Mass	208.12283153
3793	Undefined_Bond_Stereo_Count	0
44093	Defined_Bond_Stereo_Count	0
964	Hydrogen_Bond_Donor_Count	2
3011527	Rotatable_Bond_Count	2
20605239	Isotope_Atom_Count	0
92299	Mono_Isotopic_Weight	233.177964357
5791	Non-hydrogen_Atom_Count	18
68858	Exact_Mass	277.146664230
7043	Covalent_Unit_Count	1
6800	Rotatable_Bond_Count	1
7023020	Total_Formal_Charge	0
694648	XLogP3-AA	3.6
6011	Undefined_Atom_Stereo_Count	0
3702	Hydrogen_Bond_Donor_Count	2
2950	Molecular_Weight	240.21
21059304	Total_Formal_Charge	0
5361250	Rotatable_Bond_Count	3
129709955	Molecular_Weight	250.4
19918	Exact_Mass	218.105527694
10464328	Rotatable_Bond_Count	1
6539003	Defined_Bond_Stereo_Count	0
95902	Undefined_Atom_Stereo_Count	0
1765	Defined_Bond_Stereo_Count	0
6432095	Exact_Mass	31.981587030
19371857	Total_Formal_Charge	0
40537366	Rotatable_Bond_Count	6
2563	Total_Formal_Charge	0
71456725	Undefined_Bond_Stereo_Count	0
351208	Molecular_Weight	115.13
97373	Total_Formal_Charge	0
29566	Hydrogen_Bond_Donor_Count	2
12105	TPSA	17.1
208922	Defined_Atom_Stereo_Count	0
613570	Defined_Bond_Stereo_Count	0
573744	Undefined_Atom_Stereo_Count	0
64992139	Rotatable_Bond_Count	1
276342	Total_Formal_Charge	0
125556	Undefined_Atom_Stereo_Count	0
70141017	XLogP3-AA	1.7
10238746	Defined_Bond_Stereo_Count	0
5020115	Non-hydrogen_Atom_Count	6
20392	Covalent_Unit_Count	1
14930278	Isotope_Atom_Count	0
147740	Total_Formal_Charge	0
11986122	Molecular_Weight	230.04
11565289	Isotope_Atom_Count	0
46902102	Mono_Isotopic_Weight	1114.49035070
5281915	Hydrogen_Bond_Donor_Count	0
529308	Molecular_Weight	86.13
130145397	Hydrogen_Bond_Acceptor_Count	2
11498	Mono_Isotopic_Weight	480.01421911
123737063	Defined_Atom_Stereo_Count	0
97783	Total_Formal_Charge	0
3364777	Structure_Complexity	72.8
68548	Undefined_Bond_Stereo_Count	0
129009911	Undefined_Atom_Stereo_Count	0
135403804	Undefined_Bond_Stereo_Count	0
51030898	Defined_Atom_Stereo_Count	1
22220875	Structure_Complexity	103
83003418	Undefined_Bond_Stereo_Count	0
75444	Exact_Mass	513.2910760
10614	Structure_Complexity	196
7567018	Total_Formal_Charge	0
181255	Total_Formal_Charge	0
88709052	Mono_Isotopic_Weight	103.063328530
3744783	Undefined_Bond_Stereo_Count	0
80365	Isotope_Atom_Count	0
535111	Molecular_Weight	112.17
79192	TPSA	20.2
6336554	Defined_Bond_Stereo_Count	0
15130827	Hydrogen_Bond_Acceptor_Count	2
6323236	Hydrogen_Bond_Donor_Count	5
1481	Mono_Isotopic_Weight	366.055628
6566	Hydrogen_Bond_Donor_Count	1
6587	Rotatable_Bond_Count	0
4353	Isotope_Atom_Count	0
4461	TPSA	211
49607	Non-hydrogen_Atom_Count	15
65390	Hydrogen_Bond_Donor_Count	0
88598	Total_Formal_Charge	0
44531955	Defined_Atom_Stereo_Count	0
12352	Defined_Bond_Stereo_Count	0
9107	XLogP3-AA	5.6
23327	Covalent_Unit_Count	1
2072949	Exact_Mass	249.11873540
159324	Hydrogen_Bond_Acceptor_Count	3
53191	Exact_Mass	231.0662210
21998683	Structure_Complexity	80.2
58475	Mono_Isotopic_Weight	244.157563266
192627	Molecular_Weight	289.33
135565106	Hydrogen_Bond_Donor_Count	2
23666830	Isotope_Atom_Count	0
14512532	Undefined_Bond_Stereo_Count	0
9179	Exact_Mass	229.089149355
5311493	Undefined_Bond_Stereo_Count	0
21572608	Defined_Atom_Stereo_Count	0
14502691	TPSA	12
15395	Undefined_Atom_Stereo_Count	0
71459864	Mono_Isotopic_Weight	1190.50414357
11750	Total_Formal_Charge	0
54693468	Undefined_Bond_Stereo_Count	0
232080	Molecular_Weight	309.4
11440685	TPSA	103
46926362	Exact_Mass	335.12454663
6652	Mono_Isotopic_Weight	204.151415257
68078	Hydrogen_Bond_Acceptor_Count	2
11420	Non-hydrogen_Atom_Count	8
98633	Isotope_Atom_Count	0
37918	Non-hydrogen_Atom_Count	24
22038	Molecular_Weight	428.6
19896519	Covalent_Unit_Count	1
12313523	Structure_Complexity	302
6918141	Tautomer_Count	1
14897389	Molecular_Weight	114.10
82418987	Molecular_Weight	111.14
123653016	Hydrogen_Bond_Donor_Count	0
16162116	Isotope_Atom_Count	0
7986	Hydrogen_Bond_Acceptor_Count	4
7967	Rotatable_Bond_Count	0
25114553	Undefined_Bond_Stereo_Count	0
87868	Exact_Mass	242.15180918
1235	Defined_Bond_Stereo_Count	0
56846451	Defined_Atom_Stereo_Count	0
129	Defined_Atom_Stereo_Count	0
580104	Isotope_Atom_Count	0
17605	Undefined_Atom_Stereo_Count	0
65374	Hydrogen_Bond_Donor_Count	3
9916282	Molecular_Weight	580.7
22328014	Rotatable_Bond_Count	0
619387	Isotope_Atom_Count	0
61208	XLogP3-AA	1
5281522	XLogP3-AA	4.4
44324020	Exact_Mass	284.16237386
53766038	TPSA	38.7
13025413	Exact_Mass	116.047344113
19870792	Defined_Bond_Stereo_Count	0
11450633	Defined_Bond_Stereo_Count	0
15529	Rotatable_Bond_Count	2
9413	Isotope_Atom_Count	0
68780878	Defined_Bond_Stereo_Count	0
17985540	Covalent_Unit_Count	1
101707094	Molecular_Weight	66.10
5281793	Hydrogen_Bond_Acceptor_Count	10
5884629	Rotatable_Bond_Count	13
2775316	Hydrogen_Bond_Acceptor_Count	1
7697	Tautomer_Count	1
78202	Structure_Complexity	129
27435	Structure_Complexity	327
20775240	Mono_Isotopic_Weight	130.123189134
13728409	Defined_Atom_Stereo_Count	2
14008744	Covalent_Unit_Count	1
72221005	Defined_Atom_Stereo_Count	0
22924775	TPSA	80.3
60805	Hydrogen_Bond_Donor_Count	2
52165	Undefined_Bond_Stereo_Count	0
4896	Undefined_Bond_Stereo_Count	0
773	Mono_Isotopic_Weight	155.069476538
9921294	Mono_Isotopic_Weight	252.1029409
52865	Non-hydrogen_Atom_Count	20
13659638	Isotope_Atom_Count	0
91851108	Total_Formal_Charge	0
413537	Mono_Isotopic_Weight	277.10489686
17963363	Defined_Bond_Stereo_Count	0
124005380	Mono_Isotopic_Weight	110.109550447
185457	Undefined_Atom_Stereo_Count	0
16158103	Covalent_Unit_Count	1
3497	Hydrogen_Bond_Acceptor_Count	4
45878	Structure_Complexity	342
69342090	Total_Formal_Charge	0
10231705	Defined_Atom_Stereo_Count	0
8797	Defined_Bond_Stereo_Count	0
12206947	Exact_Mass	111.068413911
6433588	TPSA	89.8
19828393	XLogP3-AA	0.9
8969	Rotatable_Bond_Count	2
16497	Hydrogen_Bond_Donor_Count	2
317677	Covalent_Unit_Count	1
92326	Total_Formal_Charge	0
89708827	Non-hydrogen_Atom_Count	8
49800054	XLogP3	3.4
229932	Undefined_Atom_Stereo_Count	0
9939298	Undefined_Atom_Stereo_Count	0
9967055	Defined_Atom_Stereo_Count	4
8697	Molecular_Weight	144.21
443984	Undefined_Bond_Stereo_Count	0
25227436	Molecular_Weight	428.9
52660	Isotope_Atom_Count	0
140060	Molecular_Weight	89.09
136307	Rotatable_Bond_Count	2
87017	Rotatable_Bond_Count	0
118086727	Hydrogen_Bond_Acceptor_Count	2
446801	Covalent_Unit_Count	1
13947131	Hydrogen_Bond_Donor_Count	2
73977860	Isotope_Atom_Count	0
224053	Exact_Mass	224.131348519
53297383	XLogP3	3.2
16958	Hydrogen_Bond_Acceptor_Count	0
3030	XLogP3	2.2
441325	Hydrogen_Bond_Acceptor_Count	4
2844	Total_Formal_Charge	0
53687318	Undefined_Atom_Stereo_Count	0
96776	Covalent_Unit_Count	1
62510	Non-hydrogen_Atom_Count	7
6259976	Mono_Isotopic_Weight	174.068079557
66824709	Undefined_Atom_Stereo_Count	0
43672	Isotope_Atom_Count	0
13180929	Molecular_Weight	108.14
134019	Undefined_Bond_Stereo_Count	0
69695	Molecular_Weight	149.15
133611834	Total_Formal_Charge	0
84119	Tautomer_Count	1
10020226	Molecular_Weight	341.79
54107	Rotatable_Bond_Count	3
86736	Structure_Complexity	143
23675622	Hydrogen_Bond_Donor_Count	2
46937085	Mono_Isotopic_Weight	433.23654186
135403803	Undefined_Atom_Stereo_Count	0
156320	Exact_Mass	343.1550360
19977	Exact_Mass	403.2026549
14968895	Hydrogen_Bond_Acceptor_Count	1
54064807	TPSA	17.1
9839519	TPSA	55.8
6948	Exact_Mass	499.7267
15730	Tautomer_Count	2
97469	Total_Formal_Charge	0
36255	Undefined_Atom_Stereo_Count	0
6419536	Mono_Isotopic_Weight	240.137496527
2647	Non-hydrogen_Atom_Count	25
141897	Structure_Complexity	71.6
55284153	Mono_Isotopic_Weight	112.074896272
135445749	Exact_Mass	503.15052004
63974	XLogP3-AA	2.3
517922	Undefined_Atom_Stereo_Count	0
20838085	Exact_Mass	541.22465702
71463602	XLogP3	1
74825	Covalent_Unit_Count	1
11281011	Molecular_Weight	399.9
10895019	Hydrogen_Bond_Acceptor_Count	3
57401194	Defined_Atom_Stereo_Count	3
61136	Hydrogen_Bond_Donor_Count	2
135911835	Isotope_Atom_Count	0
100930	Exact_Mass	140.04081944
15287	TPSA	29.5
11405875	Defined_Bond_Stereo_Count	0
10238	Undefined_Bond_Stereo_Count	0
123359	Hydrogen_Bond_Acceptor_Count	0
5326971	Covalent_Unit_Count	1
21499	Defined_Bond_Stereo_Count	0
6328682	Structure_Complexity	313
5488233	Isotope_Atom_Count	0
6015	Undefined_Atom_Stereo_Count	1
22609888	Covalent_Unit_Count	1
6435401	Structure_Complexity	526
11567	Hydrogen_Bond_Acceptor_Count	1
11764	Hydrogen_Bond_Donor_Count	0
10159630	Mono_Isotopic_Weight	428.15835111
499953	Structure_Complexity	857
123846986	Isotope_Atom_Count	0
24883486	Undefined_Bond_Stereo_Count	0
643976	Structure_Complexity	844
12431566	Covalent_Unit_Count	1
18620262	Defined_Bond_Stereo_Count	0
722799	Exact_Mass	306.09168915
15983809	Total_Formal_Charge	0
54445181	Isotope_Atom_Count	1
20591	XLogP3-AA	1.1
7126	Hydrogen_Bond_Acceptor_Count	5
5275508	Hydrogen_Bond_Acceptor_Count	2
101508194	Non-hydrogen_Atom_Count	35
7914	Non-hydrogen_Atom_Count	7
20767638	Covalent_Unit_Count	1
13974331	Hydrogen_Bond_Acceptor_Count	2
6941	Rotatable_Bond_Count	1
15374	Hydrogen_Bond_Acceptor_Count	2
56296	Defined_Bond_Stereo_Count	0
83569	Isotope_Atom_Count	0
1721	TPSA	162
522065	Rotatable_Bond_Count	4
71698	Molecular_Weight	262.35
21040078	Mono_Isotopic_Weight	114.104465066
71663312	Mono_Isotopic_Weight	540.1728319
317543	Hydrogen_Bond_Donor_Count	1
908	TPSA	75.7
2599	Exact_Mass	187.074561919
133124921	Exact_Mass	925.50349992
169607	Undefined_Atom_Stereo_Count	0
4470790	Exact_Mass	356.10083623
9678	Defined_Bond_Stereo_Count	0
129508	TPSA	87.7
4075159	Structure_Complexity	446
121494085	Undefined_Bond_Stereo_Count	0
131110184	Rotatable_Bond_Count	2
10080510	Tautomer_Count	1
20483595	Isotope_Atom_Count	0
643447	Undefined_Bond_Stereo_Count	0
88959077	Exact_Mass	113.047678466
55515	Hydrogen_Bond_Donor_Count	0
5624	Mono_Isotopic_Weight	520.35257467
57501504	Non-hydrogen_Atom_Count	47
14489	Defined_Bond_Stereo_Count	0
71308226	Covalent_Unit_Count	1
16211195	Defined_Atom_Stereo_Count	4
31288	Undefined_Atom_Stereo_Count	0
30461	Molecular_Weight	206.24
5311070	Total_Formal_Charge	0
15973	Hydrogen_Bond_Acceptor_Count	6
12585787	Hydrogen_Bond_Donor_Count	0
3081386	Molecular_Weight	679.5
11725	Hydrogen_Bond_Donor_Count	0
13244249	Isotope_Atom_Count	0
90495	Defined_Atom_Stereo_Count	0
90695524	Exact_Mass	108.093900383
105084	TPSA	24.9
444853	XLogP3-AA	2.2
69215	Hydrogen_Bond_Donor_Count	0
60759	Molecular_Weight	267.32
24848345	Molecular_Weight	234.31
5284476	Molecular_Weight	197.24
10271	Total_Formal_Charge	0
11282394	Hydrogen_Bond_Acceptor_Count	11
9885442	Covalent_Unit_Count	1
75310475	Hydrogen_Bond_Acceptor_Count	9
91063960	Rotatable_Bond_Count	1
129711468	Hydrogen_Bond_Acceptor_Count	3
12243	Hydrogen_Bond_Acceptor_Count	0
3882	Molecular_Weight	440.7
20653	TPSA	37.3
9862634	Rotatable_Bond_Count	0
92685	Mono_Isotopic_Weight	597.97483
44442065	Defined_Bond_Stereo_Count	0
22602645	Structure_Complexity	92.5
5351457	Structure_Complexity	991
93186	XLogP3-AA	3.4
7900	Tautomer_Count	1
517045	Molecular_Weight	82.03
834146	XLogP3-AA	3.3
5284584	Exact_Mass	367.0934984
101874073	Isotope_Atom_Count	0
22220875	Total_Formal_Charge	0
54265485	Rotatable_Bond_Count	0
70722	Undefined_Bond_Stereo_Count	0
22221797	Defined_Atom_Stereo_Count	0
25263111	Undefined_Bond_Stereo_Count	0
38260	Structure_Complexity	977
637520	Rotatable_Bond_Count	3
4688	Covalent_Unit_Count	1
14066	Tautomer_Count	3
140623	Total_Formal_Charge	0
670580	Hydrogen_Bond_Donor_Count	0
5954	Total_Formal_Charge	0
3081317	Non-hydrogen_Atom_Count	44
5586	Total_Formal_Charge	0
917192	Covalent_Unit_Count	1
439233	Total_Formal_Charge	0
154518370	Rotatable_Bond_Count	1
5289295	XLogP3-AA	2.3
44268	Exact_Mass	334.03571
154522874	XLogP3-AA	0.4
9959269	TPSA	111
22408685	Total_Formal_Charge	0
3449165	Hydrogen_Bond_Acceptor_Count	5
23355	Covalent_Unit_Count	1
135425186	Covalent_Unit_Count	1
448903	Isotope_Atom_Count	0
5724	Mono_Isotopic_Weight	439.95748
71880	Defined_Atom_Stereo_Count	0
83763	TPSA	20.2
59059060	Defined_Atom_Stereo_Count	0
38627	Tautomer_Count	1
48558	Isotope_Atom_Count	0
15827531	XLogP3-AA	2.2
59311377	Molecular_Weight	315.4
56755	Hydrogen_Bond_Acceptor_Count	4
5364713	Molecular_Weight	312.5
155810229	TPSA	274
486	Hydrogen_Bond_Acceptor_Count	4
10442251	Structure_Complexity	214
16659836	Isotope_Atom_Count	0
302	Defined_Atom_Stereo_Count	0
16170	Mono_Isotopic_Weight	331.1339066
38088	Hydrogen_Bond_Donor_Count	1
90385783	Structure_Complexity	131
738658	Rotatable_Bond_Count	1
3114	TPSA	59.2
5461103	Defined_Bond_Stereo_Count	0
8497	Hydrogen_Bond_Acceptor_Count	4
46724	Defined_Bond_Stereo_Count	0
140153	Hydrogen_Bond_Donor_Count	1
11590444	Isotope_Atom_Count	0
4116	Undefined_Atom_Stereo_Count	0
222199	Covalent_Unit_Count	1
1504	Total_Formal_Charge	0
447021	Defined_Atom_Stereo_Count	0
71464628	TPSA	228
6950206	Defined_Atom_Stereo_Count	0
6567	Mono_Isotopic_Weight	74.084398327
57394211	XLogP3-AA	3.9
527256	Molecular_Weight	222.37
4372	Undefined_Bond_Stereo_Count	2
76460	Exact_Mass	714.51294241
99721706	Undefined_Bond_Stereo_Count	0
13925600	Hydrogen_Bond_Donor_Count	1
3033053	Tautomer_Count	3
5459910	Mono_Isotopic_Weight	297.13649347
366248	Mono_Isotopic_Weight	872.66826128
6338	XLogP3-AA	1.5
53846425	Undefined_Bond_Stereo_Count	2
11137	Molecular_Weight	139.11
177236	Structure_Complexity	506
549294	Undefined_Bond_Stereo_Count	0
1356	Hydrogen_Bond_Donor_Count	5
442549	Exact_Mass	318.14672380
160534	Defined_Bond_Stereo_Count	0
519642	Covalent_Unit_Count	1
5281771	TPSA	324
131705759	Exact_Mass	303.14705815
99014	Defined_Atom_Stereo_Count	0
542381	Structure_Complexity	33.9
45357	Structure_Complexity	201
17928	Hydrogen_Bond_Donor_Count	1
11979316	Defined_Atom_Stereo_Count	0
53387504	Defined_Atom_Stereo_Count	2
102505711	Mono_Isotopic_Weight	384.0699267
445318	Undefined_Bond_Stereo_Count	0
30167	Rotatable_Bond_Count	4
6438376	TPSA	135
131720661	Total_Formal_Charge	0
13314	Total_Formal_Charge	0
15088	TPSA	52.6
11517780	Exact_Mass	438.1016207
24706	Molecular_Weight	608.8
3033674	Tautomer_Count	1
10180182	Hydrogen_Bond_Acceptor_Count	3
11589453	Hydrogen_Bond_Acceptor_Count	5
88983603	Exact_Mass	100.088815002
94306	Structure_Complexity	127
59706	Mono_Isotopic_Weight	343.21474379
56964111	Undefined_Atom_Stereo_Count	0
7643	Hydrogen_Bond_Acceptor_Count	2
25516	Hydrogen_Bond_Acceptor_Count	1
589287	Undefined_Atom_Stereo_Count	1
87714	Structure_Complexity	39.2
44310775	Defined_Atom_Stereo_Count	2
10175126	Non-hydrogen_Atom_Count	41
12950123	Non-hydrogen_Atom_Count	7
19944	Hydrogen_Bond_Donor_Count	0
9210	XLogP3	1
135707781	TPSA	240
10129	Defined_Bond_Stereo_Count	0
165363475	Mono_Isotopic_Weight	857.37667670
456	Undefined_Atom_Stereo_Count	0
12385252	Isotope_Atom_Count	0
6437064	Exact_Mass	688.39751874
20650455	Undefined_Bond_Stereo_Count	0
30410	Isotope_Atom_Count	0
38464	Undefined_Bond_Stereo_Count	0
5368010	Undefined_Atom_Stereo_Count	1
24758982	Isotope_Atom_Count	0
25171665	Hydrogen_Bond_Acceptor_Count	9
5639	Hydrogen_Bond_Donor_Count	1
451187	Mono_Isotopic_Weight	174.131984
584	Defined_Atom_Stereo_Count	0
71679077	Molecular_Weight	425.7
32897	Hydrogen_Bond_Donor_Count	1
61295	Exact_Mass	118.04523611
86388	Molecular_Weight	335.4
12421370	Structure_Complexity	14
134693629	Hydrogen_Bond_Donor_Count	0
123457	Hydrogen_Bond_Acceptor_Count	1
62278	Hydrogen_Bond_Donor_Count	1
56621335	Mono_Isotopic_Weight	86.084398327
5486172	XLogP3-AA	0
77875900	Defined_Bond_Stereo_Count	0
655	Hydrogen_Bond_Donor_Count	1
12513420	Total_Formal_Charge	0
10038849	Hydrogen_Bond_Donor_Count	1
34710	TPSA	29.5
53894233	TPSA	17.1
57174031	Defined_Atom_Stereo_Count	1
13806	Undefined_Bond_Stereo_Count	0
88191	Isotope_Atom_Count	0
24901210	Mono_Isotopic_Weight	497.1539906
65757	Hydrogen_Bond_Donor_Count	0
126514322	Total_Formal_Charge	0
44338510	Defined_Bond_Stereo_Count	0
135409400	Total_Formal_Charge	0
11705608	TPSA	125
131704481	Molecular_Weight	602.6
120303	XLogP3-AA	2.1
5281792	Molecular_Weight	360.3
134338399	Covalent_Unit_Count	1
11668187	Undefined_Atom_Stereo_Count	1
447043	Hydrogen_Bond_Acceptor_Count	14
72747174	Mono_Isotopic_Weight	100.100048391
439299	Undefined_Bond_Stereo_Count	0
3050433	Hydrogen_Bond_Acceptor_Count	5
74229	Structure_Complexity	192
71342	Total_Formal_Charge	0
5288565	Mono_Isotopic_Weight	906.11834383
904	Covalent_Unit_Count	1
160883	Hydrogen_Bond_Acceptor_Count	4
5311291	Exact_Mass	376.18590327
9839581	Hydrogen_Bond_Donor_Count	2
4113127	Hydrogen_Bond_Donor_Count	3
439298	Hydrogen_Bond_Donor_Count	10
17572160	Undefined_Atom_Stereo_Count	0
18363526	Molecular_Weight	114.14
448503	Mono_Isotopic_Weight	118.098037015
2724039	Mono_Isotopic_Weight	209.94550188
20348167	Undefined_Bond_Stereo_Count	0
34515	Undefined_Atom_Stereo_Count	2
522536	Structure_Complexity	278
24755482	Rotatable_Bond_Count	12
170530	Covalent_Unit_Count	1
18626426	Covalent_Unit_Count	1
117768413	TPSA	110
58031952	Covalent_Unit_Count	1
6099917	Covalent_Unit_Count	4
56986002	Covalent_Unit_Count	1
11201358	Undefined_Bond_Stereo_Count	0
59015080	Molecular_Weight	342.30
18719	Undefined_Atom_Stereo_Count	2
4402	Non-hydrogen_Atom_Count	24
62719	Hydrogen_Bond_Donor_Count	0
89036	Hydrogen_Bond_Donor_Count	2
159629179	Covalent_Unit_Count	1
72739321	Exact_Mass	96.057514874
10103132	Undefined_Bond_Stereo_Count	0
12222	TPSA	17.1
85944292	Undefined_Atom_Stereo_Count	0
76538949	Mono_Isotopic_Weight	102.079312947
71358240	Molecular_Weight	111.10
10131000	Isotope_Atom_Count	0
6445017	Covalent_Unit_Count	1
5462328	Covalent_Unit_Count	1
3081185	Rotatable_Bond_Count	4
30868	XLogP3-AA	8.1
122130	Tautomer_Count	12
135465069	Tautomer_Count	4
131709225	Rotatable_Bond_Count	10
13785328	XLogP3-AA	3.6
73072210	Mono_Isotopic_Weight	412.370516150
10715582	Isotope_Atom_Count	0
23058074	Mono_Isotopic_Weight	111.068413911
641001	Defined_Bond_Stereo_Count	0
71180	Rotatable_Bond_Count	0
5311311	Exact_Mass	1132.56991445
63001	XLogP3-AA	0.6
56622517	Covalent_Unit_Count	1
519963	XLogP3-AA	0.6
7132	TPSA	3.9
29831	Defined_Atom_Stereo_Count	0
6819	Undefined_Bond_Stereo_Count	0
82343	Hydrogen_Bond_Acceptor_Count	1
126737575	Structure_Complexity	152
62108	Molecular_Weight	458.7
5284469	XLogP3-AA	4.7
53462828	Structure_Complexity	822
101127008	Hydrogen_Bond_Donor_Count	0
6420019	Defined_Atom_Stereo_Count	0
57404185	Total_Formal_Charge	0
6436003	Tautomer_Count	1
537505	Covalent_Unit_Count	1
5064267	Exact_Mass	405.99294301
101023318	Non-hydrogen_Atom_Count	7
21853	Undefined_Atom_Stereo_Count	3
6925	Covalent_Unit_Count	1
79619	Covalent_Unit_Count	1
12539494	Mono_Isotopic_Weight	94.078250319
14239884	TPSA	63.6
9734	Structure_Complexity	108
15413	Undefined_Atom_Stereo_Count	0
70686983	Rotatable_Bond_Count	7
674188	Total_Formal_Charge	0
18626423	Undefined_Atom_Stereo_Count	1
6433090	Mono_Isotopic_Weight	319.168462302
122706529	Covalent_Unit_Count	1
166486721	TPSA	20.3
56959	Tautomer_Count	3
135403828	Total_Formal_Charge	0
11507	Isotope_Atom_Count	0
73265310	Covalent_Unit_Count	1
85627952	Isotope_Atom_Count	0
3047787	XLogP3-AA	4.2
75675	Rotatable_Bond_Count	7
498430	Hydrogen_Bond_Acceptor_Count	2
7281	TPSA	20.2
3718378	Defined_Atom_Stereo_Count	0
2734171	Rotatable_Bond_Count	3
70680970	Covalent_Unit_Count	1
5242388	Mono_Isotopic_Weight	158.05790880
71653	Hydrogen_Bond_Acceptor_Count	5
135697	Covalent_Unit_Count	1
129652893	Defined_Atom_Stereo_Count	0
637563	TPSA	9.2
7512	Hydrogen_Bond_Donor_Count	1
130904	Defined_Atom_Stereo_Count	5
11998	XLogP3	1.6
11062343	Isotope_Atom_Count	0
282752	Rotatable_Bond_Count	4
55300028	Covalent_Unit_Count	1
7282	TPSA	0
94149	Hydrogen_Bond_Acceptor_Count	6
211468	Total_Formal_Charge	0
91667825	Defined_Bond_Stereo_Count	0
12487262	Undefined_Bond_Stereo_Count	0
20735704	Total_Formal_Charge	0
8221	Undefined_Atom_Stereo_Count	0
8923919	Hydrogen_Bond_Acceptor_Count	1
40185	Undefined_Atom_Stereo_Count	0
23567810	Structure_Complexity	111
101711052	Isotope_Atom_Count	0
2733293	Hydrogen_Bond_Acceptor_Count	2
12248518	Hydrogen_Bond_Donor_Count	0
77982	Defined_Bond_Stereo_Count	0
11599	XLogP3-AA	2.4
69333861	Non-hydrogen_Atom_Count	7
3005839	Defined_Atom_Stereo_Count	1
11681588	Total_Formal_Charge	0
43704	Molecular_Weight	295.29
26129	Rotatable_Bond_Count	0
15817841	Hydrogen_Bond_Donor_Count	3
39985	Tautomer_Count	9
92394	XLogP3-AA	0.3
44310721	Hydrogen_Bond_Acceptor_Count	5
10409	Hydrogen_Bond_Acceptor_Count	1
53631822	XLogP3-AA	0.3
9573395	Total_Formal_Charge	0
10991161	Isotope_Atom_Count	0
45085047	Hydrogen_Bond_Acceptor_Count	3
12933341	Isotope_Atom_Count	0
93083	Hydrogen_Bond_Acceptor_Count	2
1550888	Rotatable_Bond_Count	6
6604889	XLogP3-AA	2.9
15721166	Undefined_Bond_Stereo_Count	0
6427476	Undefined_Atom_Stereo_Count	2
5315472	Exact_Mass	308.10485899
10428273	Total_Formal_Charge	0
10278166	Mono_Isotopic_Weight	489.989931
5359227	Mono_Isotopic_Weight	397.12903910
20387223	Hydrogen_Bond_Acceptor_Count	1
9907847	Isotope_Atom_Count	0
3045400	Molecular_Weight	377.4
40159	Tautomer_Count	1
5365585	Hydrogen_Bond_Donor_Count	0
85252	Mono_Isotopic_Weight	160.091956283
16051942	Hydrogen_Bond_Donor_Count	1
7351	XLogP3-AA	2.5
441328	Structure_Complexity	461
88483174	Rotatable_Bond_Count	3
11635763	Isotope_Atom_Count	0
57609	Defined_Bond_Stereo_Count	0
733076	Undefined_Atom_Stereo_Count	0
825353	TPSA	129
5163	Undefined_Bond_Stereo_Count	0
10796722	XLogP3-AA	1.6
4811	Hydrogen_Bond_Donor_Count	1
22385728	Covalent_Unit_Count	1
136429571	Isotope_Atom_Count	0
4065	Molecular_Weight	235.32
54025583	Defined_Atom_Stereo_Count	0
3033952	Tautomer_Count	2
21210	Mono_Isotopic_Weight	132.115029749
59717617	Structure_Complexity	84.5
24841	XLogP3-AA	0.9
6603320	Total_Formal_Charge	0
20347	Structure_Complexity	109
21184506	Exact_Mass	187.074561919
4873	Undefined_Atom_Stereo_Count	0
11254899	Structure_Complexity	156
193504	Hydrogen_Bond_Acceptor_Count	2
6539003	Structure_Complexity	453
5324683	Covalent_Unit_Count	1
54602348	Hydrogen_Bond_Acceptor_Count	2
15982407	Covalent_Unit_Count	1
134692450	Exact_Mass	580.15345715
10188	Undefined_Bond_Stereo_Count	0
138335	Non-hydrogen_Atom_Count	8
67899	Rotatable_Bond_Count	0
745	Total_Formal_Charge	0
53850432	Undefined_Atom_Stereo_Count	0
94317	Hydrogen_Bond_Acceptor_Count	1
131728182	Defined_Atom_Stereo_Count	0
93083	TPSA	35.8
154152828	Molecular_Weight	92.14
6435993	Undefined_Atom_Stereo_Count	0
3497012	Mono_Isotopic_Weight	183.07696722
5095	Exact_Mass	260.188863393
14545018	Undefined_Atom_Stereo_Count	0
3461	Undefined_Atom_Stereo_Count	3
5391	Isotope_Atom_Count	0
51347104	Rotatable_Bond_Count	2
138389	XLogP3-AA	0.4
54059092	Rotatable_Bond_Count	0
4806	Undefined_Bond_Stereo_Count	0
65360	Molecular_Weight	207.25
87481019	TPSA	17.1
5040	Undefined_Atom_Stereo_Count	15
5702065	Defined_Bond_Stereo_Count	0
78414	XLogP3-AA	1
6438383	Tautomer_Count	1
441261	Undefined_Atom_Stereo_Count	0
64212	Covalent_Unit_Count	1
135398501	Total_Formal_Charge	0
54036153	Molecular_Weight	111.14
20578	TPSA	38.3
22477643	TPSA	39.6
51668574	Covalent_Unit_Count	1
9942133	Structure_Complexity	101
278564	Undefined_Bond_Stereo_Count	0
11397521	Tautomer_Count	7
54676715	Undefined_Bond_Stereo_Count	0
68193	Rotatable_Bond_Count	1
129815925	Undefined_Atom_Stereo_Count	0
4471892	Non-hydrogen_Atom_Count	4
6994472	Defined_Atom_Stereo_Count	0
5284443	Hydrogen_Bond_Donor_Count	4
5169	Rotatable_Bond_Count	3
17497	Defined_Atom_Stereo_Count	0
33802	TPSA	0
15642161	Covalent_Unit_Count	1
16950	Covalent_Unit_Count	1
16757547	Exact_Mass	562.15121
57370827	Total_Formal_Charge	0
135512673	TPSA	220
22486676	Total_Formal_Charge	0
9890250	Mono_Isotopic_Weight	455.1623268
25079036	Structure_Complexity	2760
5372405	Defined_Bond_Stereo_Count	1
5282550	Undefined_Bond_Stereo_Count	0
58390642	Hydrogen_Bond_Donor_Count	0
62724	Molecular_Weight	412.3
2253	Rotatable_Bond_Count	4
44567678	Exact_Mass	1814.6085580
112264	Total_Formal_Charge	0
176873	Defined_Atom_Stereo_Count	4
79800	Defined_Atom_Stereo_Count	0
36511	Defined_Atom_Stereo_Count	10
265652	Exact_Mass	106.00885060
5172	Undefined_Bond_Stereo_Count	0
12550	Covalent_Unit_Count	1
6454351	Tautomer_Count	1
54332784	Hydrogen_Bond_Donor_Count	1
397	Total_Formal_Charge	0
193290	Rotatable_Bond_Count	4
5702251	Defined_Atom_Stereo_Count	0
19042	Tautomer_Count	1
44925	XLogP3-AA	4
11546620	Exact_Mass	437.19507097
153991111	Defined_Bond_Stereo_Count	0
69425	Molecular_Weight	250.5
137379058	Molecular_Weight	254.4
9895035	Isotope_Atom_Count	0
7966	Molecular_Weight	100.16
445125	TPSA	87.9
24860971	Covalent_Unit_Count	1
119198	Covalent_Unit_Count	1
5284648	Rotatable_Bond_Count	1
71676045	Hydrogen_Bond_Acceptor_Count	10
98051220	Exact_Mass	363.872766
8733	Tautomer_Count	1
241027	Structure_Complexity	130
156391	XLogP3	3.3
135456190	Hydrogen_Bond_Acceptor_Count	5
11385	Exact_Mass	194.084398327
154507527	Hydrogen_Bond_Donor_Count	0
56649416	TPSA	109
637511	Mono_Isotopic_Weight	132.057514874
5746	Hydrogen_Bond_Donor_Count	3
119259	Hydrogen_Bond_Acceptor_Count	5
48542	Structure_Complexity	289
27914	Structure_Complexity	139
121233219	Molecular_Weight	126.18
86153841	Structure_Complexity	128
626	Defined_Bond_Stereo_Count	0
91435393	Undefined_Atom_Stereo_Count	1
101798	Hydrogen_Bond_Acceptor_Count	6
119389	Defined_Atom_Stereo_Count	0
5081356	XLogP3-AA	2.4
11641	Hydrogen_Bond_Acceptor_Count	0
87300	Hydrogen_Bond_Acceptor_Count	2
12862572	Rotatable_Bond_Count	6
83822	Rotatable_Bond_Count	10
7098617	Undefined_Atom_Stereo_Count	0
57470525	Exact_Mass	112.088815002
63952	Tautomer_Count	6
76224067	Total_Formal_Charge	0
88889699	Total_Formal_Charge	0
10377751	Mono_Isotopic_Weight	257.02589765
6567	TPSA	52
5087	Rotatable_Bond_Count	7
86583	Undefined_Bond_Stereo_Count	0
101670359	Defined_Bond_Stereo_Count	0
519207	Exact_Mass	283.157228913
141261	Molecular_Weight	110.15
2762647	Rotatable_Bond_Count	1
10435	Hydrogen_Bond_Donor_Count	2
91464	Exact_Mass	409.05012353
222549	Isotope_Atom_Count	0
91645	Non-hydrogen_Atom_Count	36
60287	Molecular_Weight	263.37
46783812	Defined_Bond_Stereo_Count	0
31347	Tautomer_Count	1
79535	Molecular_Weight	232.36
122672078	Mono_Isotopic_Weight	112.088815002
24827	Mono_Isotopic_Weight	130.062994177
8346	Undefined_Bond_Stereo_Count	0
11137890	Exact_Mass	188.177630004
54526114	Total_Formal_Charge	0
43116	Hydrogen_Bond_Acceptor_Count	14
124003	Total_Formal_Charge	0
906143	Defined_Atom_Stereo_Count	0
6273649	Undefined_Atom_Stereo_Count	0
50614	Undefined_Bond_Stereo_Count	0
4823	Undefined_Bond_Stereo_Count	0
171829	Undefined_Bond_Stereo_Count	0
21884954	Isotope_Atom_Count	0
20095	Rotatable_Bond_Count	2
141583717	Total_Formal_Charge	0
4496	Defined_Atom_Stereo_Count	0
70141017	Non-hydrogen_Atom_Count	8
130471	Non-hydrogen_Atom_Count	26
156035640	Covalent_Unit_Count	1
70362185	Exact_Mass	97.052763847
8679	Covalent_Unit_Count	1
13522	Rotatable_Bond_Count	8
60196425	Molecular_Weight	491.3
145729	Undefined_Bond_Stereo_Count	0
11639859	Isotope_Atom_Count	0
23662354	TPSA	66.6
18383	Undefined_Bond_Stereo_Count	0
22965786	Rotatable_Bond_Count	0
439280	Exact_Mass	220.08479225
43834	Mono_Isotopic_Weight	256.109944368
135399833	Hydrogen_Bond_Donor_Count	7
25422	Exact_Mass	110.073164938
3716002	Isotope_Atom_Count	0
9948	Defined_Bond_Stereo_Count	0
8013	Defined_Atom_Stereo_Count	0
519946	Hydrogen_Bond_Donor_Count	0
90864	Non-hydrogen_Atom_Count	20
14049689	Mono_Isotopic_Weight	1540.6628176
24892716	Non-hydrogen_Atom_Count	109
3047803	Defined_Atom_Stereo_Count	2
23158752	Rotatable_Bond_Count	8
6652	Hydrogen_Bond_Donor_Count	0
101746	Defined_Atom_Stereo_Count	4
21792545	Hydrogen_Bond_Acceptor_Count	4
10308710	Non-hydrogen_Atom_Count	20
76044	Defined_Atom_Stereo_Count	1
57228285	Mono_Isotopic_Weight	114.00654193
15309593	Undefined_Bond_Stereo_Count	0
4278	Non-hydrogen_Atom_Count	12
5374700	Isotope_Atom_Count	0
78382	Undefined_Bond_Stereo_Count	0
10154060	TPSA	43.4
81450	Molecular_Weight	230.24
71456042	Non-hydrogen_Atom_Count	34
11111992	Covalent_Unit_Count	1
40895	Molecular_Weight	104.15
11754770	Exact_Mass	476.0921187
7487	TPSA	62.9
68714	Isotope_Atom_Count	0
14506	TPSA	23.1
164946845	Covalent_Unit_Count	3
62753	Total_Formal_Charge	0
11430856	Undefined_Atom_Stereo_Count	0
96935	Isotope_Atom_Count	0
58478000	Defined_Atom_Stereo_Count	0
13764	Molecular_Weight	275.22
3829279	Isotope_Atom_Count	0
38989055	Hydrogen_Bond_Donor_Count	0
71515	Undefined_Bond_Stereo_Count	0
21553255	Hydrogen_Bond_Acceptor_Count	1
14283	Hydrogen_Bond_Acceptor_Count	1
20087	Defined_Bond_Stereo_Count	0
9578243	Defined_Atom_Stereo_Count	0
4451502	Non-hydrogen_Atom_Count	6
71076901	Undefined_Bond_Stereo_Count	0
15559658	TPSA	12
18847	Tautomer_Count	1
25273607	Covalent_Unit_Count	1
189856	Undefined_Bond_Stereo_Count	0
54152819	Covalent_Unit_Count	1
6914821	TPSA	67.4
15266847	Molecular_Weight	113.11
50514	Defined_Atom_Stereo_Count	0
56845780	Exact_Mass	194.04265265
1664	Undefined_Atom_Stereo_Count	1
126968498	Molecular_Weight	835.1
16211849	TPSA	74.4
72200037	Covalent_Unit_Count	1
164886662	TPSA	304
5311312	TPSA	485
15667210	Total_Formal_Charge	0
19027501	Undefined_Atom_Stereo_Count	0
11651149	Structure_Complexity	45.6
3650	Mono_Isotopic_Weight	148.02842019
6145	Total_Formal_Charge	0
2099	Undefined_Atom_Stereo_Count	0
5704083	Structure_Complexity	520
6282	Undefined_Atom_Stereo_Count	0
77999	Structure_Complexity	469
22833295	Defined_Bond_Stereo_Count	0
228506	Covalent_Unit_Count	1
15331	Undefined_Bond_Stereo_Count	0
10046647	Rotatable_Bond_Count	5
23064530	Hydrogen_Bond_Donor_Count	1
66087	Structure_Complexity	102
7978	Covalent_Unit_Count	1
5709759	Defined_Bond_Stereo_Count	2
12998627	Undefined_Bond_Stereo_Count	0
6398764	Total_Formal_Charge	0
31386	Defined_Atom_Stereo_Count	0
6780	Total_Formal_Charge	0
9863447	Isotope_Atom_Count	0
68120	Hydrogen_Bond_Acceptor_Count	2
53480	Covalent_Unit_Count	1
54276448	Defined_Atom_Stereo_Count	0
22452	Isotope_Atom_Count	0
115205	Hydrogen_Bond_Donor_Count	6
11673085	Defined_Atom_Stereo_Count	1
10920463	Isotope_Atom_Count	0
29647	Undefined_Atom_Stereo_Count	0
15071968	Exact_Mass	100.052429494
7551	TPSA	38.3
10057444	Structure_Complexity	58.6
689784	Molecular_Weight	325.27
8002	TPSA	0
62209	Non-hydrogen_Atom_Count	18
3033538	Mono_Isotopic_Weight	325.22664588
59966656	Non-hydrogen_Atom_Count	30
925739	Hydrogen_Bond_Acceptor_Count	4
134973	Undefined_Atom_Stereo_Count	2
439196	Exact_Mass	154.01222190
22878123	Total_Formal_Charge	0
5459811	Exact_Mass	426.386166214
114849	TPSA	75.8
5563	Defined_Bond_Stereo_Count	0
31202	Covalent_Unit_Count	2
138148	Molecular_Weight	100.16
15567	Defined_Bond_Stereo_Count	0
99597	Non-hydrogen_Atom_Count	11
73820465	Mono_Isotopic_Weight	482.15768240
565610	Rotatable_Bond_Count	15
45480520	Defined_Atom_Stereo_Count	1
441975	Undefined_Bond_Stereo_Count	0
17948	Hydrogen_Bond_Donor_Count	4
3037082	XLogP3	3.1
283992	TPSA	38.7
8698	Non-hydrogen_Atom_Count	13
95182	Undefined_Bond_Stereo_Count	0
72693	Tautomer_Count	24
14716	Hydrogen_Bond_Acceptor_Count	4
82463	Undefined_Atom_Stereo_Count	0
398675	Structure_Complexity	656
1633595	Exact_Mass	242.141913202
146465392	Rotatable_Bond_Count	1
119544	Total_Formal_Charge	0
4048	Rotatable_Bond_Count	3
144292374	Hydrogen_Bond_Donor_Count	0
82187	Covalent_Unit_Count	1
7303	Undefined_Bond_Stereo_Count	0
90983396	TPSA	9.2
95292	Rotatable_Bond_Count	1
11198850	Non-hydrogen_Atom_Count	27
7470	XLogP3	2.3
183797	Covalent_Unit_Count	1
15213029	TPSA	38.6
123966192	Defined_Atom_Stereo_Count	0
65919626	Hydrogen_Bond_Donor_Count	2
12470257	Covalent_Unit_Count	1
68512	Hydrogen_Bond_Donor_Count	2
98808	TPSA	0
135403802	Hydrogen_Bond_Acceptor_Count	6
30606	Exact_Mass	488.1332711
22720	Mono_Isotopic_Weight	103.099714038
2734040	Hydrogen_Bond_Acceptor_Count	2
129627537	Hydrogen_Bond_Acceptor_Count	21
6854	Total_Formal_Charge	0
12856218	Defined_Atom_Stereo_Count	0
6507	XLogP3-AA	2.7
520540	Total_Formal_Charge	0
403924	Hydrogen_Bond_Acceptor_Count	18
8972	Non-hydrogen_Atom_Count	27
6921840	Non-hydrogen_Atom_Count	12
167659	Exact_Mass	171.9684641
147570519	TPSA	3.2
77117	Rotatable_Bond_Count	4
95182	Hydrogen_Bond_Acceptor_Count	9
9832253	Hydrogen_Bond_Donor_Count	3
7294	Rotatable_Bond_Count	2
10326800	Structure_Complexity	966
35398	Hydrogen_Bond_Donor_Count	3
24831714	TPSA	104
10866310	Defined_Atom_Stereo_Count	0
441245	Total_Formal_Charge	0
145019560	TPSA	34
22857281	Undefined_Atom_Stereo_Count	0
13197720	Undefined_Bond_Stereo_Count	0
38085	Molecular_Weight	313.15
56955954	Isotope_Atom_Count	0
88914	Total_Formal_Charge	0
66357	Defined_Bond_Stereo_Count	0
10953464	Hydrogen_Bond_Donor_Count	2
3055	Non-hydrogen_Atom_Count	23
85787452	Structure_Complexity	134
25868	Molecular_Weight	89.14
74680	Hydrogen_Bond_Acceptor_Count	2
4495	TPSA	110
21662383	Hydrogen_Bond_Acceptor_Count	1
72221005	Exact_Mass	95.048347172
16487	Hydrogen_Bond_Donor_Count	4
69332601	Defined_Atom_Stereo_Count	0
558526	Defined_Bond_Stereo_Count	0
23479	Rotatable_Bond_Count	6
98685	Exact_Mass	240.126263138
119033	Defined_Bond_Stereo_Count	0
445114	Undefined_Atom_Stereo_Count	0
53475321	Hydrogen_Bond_Acceptor_Count	5
131869249	Hydrogen_Bond_Donor_Count	0
9943908	Exact_Mass	255.1026065
46244259	Structure_Complexity	717
135504571	Exact_Mass	334.04773803
6971018	TPSA	67.8
162918376	Hydrogen_Bond_Donor_Count	5
13134	Total_Formal_Charge	0
24901348	Rotatable_Bond_Count	11
44814409	Undefined_Atom_Stereo_Count	0
20194949	Mono_Isotopic_Weight	114.02294089
5458589	Covalent_Unit_Count	2
22879	TPSA	157
33643	Isotope_Atom_Count	0
5281544	Total_Formal_Charge	0
151175776	Total_Formal_Charge	0
522741	Molecular_Weight	406.5
2211	Isotope_Atom_Count	0
24848269	Defined_Atom_Stereo_Count	1
78524	Hydrogen_Bond_Acceptor_Count	5
16638	Defined_Atom_Stereo_Count	0
119574	Covalent_Unit_Count	1
63179	Exact_Mass	513.21647512
70969	Defined_Bond_Stereo_Count	0
8367	Non-hydrogen_Atom_Count	14
36688209	Rotatable_Bond_Count	7
185588	Rotatable_Bond_Count	3
71584541	Hydrogen_Bond_Acceptor_Count	6
9796068	XLogP3-AA	1.3
91754	Rotatable_Bond_Count	5
70693117	Undefined_Atom_Stereo_Count	0
2723654	Isotope_Atom_Count	0
9883915	Isotope_Atom_Count	0
134919	Structure_Complexity	18.9
9175	Undefined_Bond_Stereo_Count	0
4356	Rotatable_Bond_Count	10
88494	Non-hydrogen_Atom_Count	5
32742	Defined_Bond_Stereo_Count	0
13207	Undefined_Atom_Stereo_Count	0
84020522	XLogP3-AA	0.6
69216	Isotope_Atom_Count	0
117721	Total_Formal_Charge	0
31799	Undefined_Atom_Stereo_Count	1
9885850	Mono_Isotopic_Weight	371.9538468
5464096	Tautomer_Count	3
45138674	Non-hydrogen_Atom_Count	41
44311016	Total_Formal_Charge	0
14089202	Total_Formal_Charge	0
9094	Mono_Isotopic_Weight	158.07653624
4133	TPSA	46.5
25058411	XLogP3	1.3
7530950	Defined_Atom_Stereo_Count	3
56995913	Defined_Bond_Stereo_Count	0
657289	Rotatable_Bond_Count	10
17649	Defined_Atom_Stereo_Count	1
46937020	Defined_Bond_Stereo_Count	5
101567485	Rotatable_Bond_Count	2
4366	Defined_Bond_Stereo_Count	0
6019	Isotope_Atom_Count	0
136219151	Undefined_Bond_Stereo_Count	0
115227	Covalent_Unit_Count	2
642132	Exact_Mass	191.058243149
20041	Defined_Bond_Stereo_Count	0
206245	Exact_Mass	129.06122053
44454958	Mono_Isotopic_Weight	331.11029598
146675212	Mono_Isotopic_Weight	1221.14784090
18918215	Defined_Bond_Stereo_Count	0
164087	Isotope_Atom_Count	0
11735949	Hydrogen_Bond_Acceptor_Count	3
60155366	Hydrogen_Bond_Donor_Count	0
49836027	Mono_Isotopic_Weight	607.21950964
9799979	Exact_Mass	379.22597718
139085816	Covalent_Unit_Count	1
174076	Isotope_Atom_Count	0
547935	Hydrogen_Bond_Donor_Count	1
136729	Defined_Atom_Stereo_Count	0
47104	Structure_Complexity	350
151255	Molecular_Weight	141.12
10146470	TPSA	115
80618	TPSA	157
14067296	TPSA	20.2
143588	TPSA	0
54680660	Mono_Isotopic_Weight	414.26175355
140990657	Hydrogen_Bond_Acceptor_Count	3
64934	Hydrogen_Bond_Acceptor_Count	14
16682930	Hydrogen_Bond_Acceptor_Count	0
9869218	Hydrogen_Bond_Donor_Count	2
14529	Covalent_Unit_Count	1
6917674	Mono_Isotopic_Weight	514.10931017
153442	Mono_Isotopic_Weight	275.9721158
22174896	Defined_Atom_Stereo_Count	0
166581	Rotatable_Bond_Count	1
19013934	Defined_Atom_Stereo_Count	0
139059561	Defined_Bond_Stereo_Count	0
102692	Structure_Complexity	43.7
155903698	Hydrogen_Bond_Donor_Count	20
11503692	TPSA	116
6506803	Structure_Complexity	771
519103	Isotope_Atom_Count	0
21852	Covalent_Unit_Count	1
916113	Mono_Isotopic_Weight	313.08849790
20684386	Undefined_Bond_Stereo_Count	0
7707	Rotatable_Bond_Count	3
16759596	Undefined_Atom_Stereo_Count	3
317505	Molecular_Weight	310.4
73830101	Total_Formal_Charge	0
107887	Defined_Bond_Stereo_Count	0
12546246	Isotope_Atom_Count	0
16136	TPSA	0
11457683	TPSA	26.3
29593	Defined_Atom_Stereo_Count	0
21340555	XLogP3-AA	3.2
76356	Structure_Complexity	211
36605	Covalent_Unit_Count	2
2138	Isotope_Atom_Count	0
6178111	Total_Formal_Charge	0
19040	Defined_Atom_Stereo_Count	0
9849425	Undefined_Atom_Stereo_Count	0
25263414	Covalent_Unit_Count	1
18779014	Covalent_Unit_Count	1
66599	Defined_Atom_Stereo_Count	0
19398	Non-hydrogen_Atom_Count	19
6999016	Undefined_Bond_Stereo_Count	0
11953814	Undefined_Atom_Stereo_Count	0
23892	Defined_Bond_Stereo_Count	0
73148	Undefined_Bond_Stereo_Count	0
5284429	Undefined_Bond_Stereo_Count	0
53846436	Defined_Bond_Stereo_Count	0
44607530	Molecular_Weight	495.0
14510872	Hydrogen_Bond_Acceptor_Count	2
721137	Rotatable_Bond_Count	5
16401027	Non-hydrogen_Atom_Count	20
23714994	Defined_Bond_Stereo_Count	1
11627212	Rotatable_Bond_Count	18
65036	Hydrogen_Bond_Acceptor_Count	3
139612467	Exact_Mass	100.063662883
16682983	Molecular_Weight	351.75
6914	Undefined_Bond_Stereo_Count	0
46587	Hydrogen_Bond_Acceptor_Count	3
445638	Hydrogen_Bond_Acceptor_Count	2
67313	Defined_Atom_Stereo_Count	0
11248738	Structure_Complexity	870
2745	Total_Formal_Charge	0
42040	Non-hydrogen_Atom_Count	15
2777993	Isotope_Atom_Count	0
12302683	Defined_Atom_Stereo_Count	9
11363	Total_Formal_Charge	0
245	Hydrogen_Bond_Acceptor_Count	11
40605	Hydrogen_Bond_Acceptor_Count	8
53262012	Defined_Bond_Stereo_Count	0
44350128	Hydrogen_Bond_Acceptor_Count	3
47289	Covalent_Unit_Count	1
8307	Defined_Bond_Stereo_Count	0
779642	Molecular_Weight	341.4
163050683	Undefined_Atom_Stereo_Count	0
6871	Defined_Atom_Stereo_Count	0
737374	Isotope_Atom_Count	0
441346	Mono_Isotopic_Weight	420.13550766
157787142	Hydrogen_Bond_Acceptor_Count	3
13867124	Isotope_Atom_Count	0
11704019	Structure_Complexity	486
9548602	Total_Formal_Charge	0
42715	Hydrogen_Bond_Donor_Count	0
90567	Hydrogen_Bond_Donor_Count	0
21895931	Covalent_Unit_Count	1
444753	Hydrogen_Bond_Acceptor_Count	1
2734122	Mono_Isotopic_Weight	105.078978594
7556	Defined_Bond_Stereo_Count	0
66099	Undefined_Atom_Stereo_Count	0
11127402	Exact_Mass	204.187800766
317678	Defined_Bond_Stereo_Count	0
3706	Undefined_Atom_Stereo_Count	5
22327	Mono_Isotopic_Weight	266.297351212
6527	Defined_Bond_Stereo_Count	0
70065832	Covalent_Unit_Count	1
5111	Structure_Complexity	615
146558401	Rotatable_Bond_Count	2
53856389	Defined_Bond_Stereo_Count	0
9838356	Structure_Complexity	363
1246	Defined_Bond_Stereo_Count	0
134693959	Defined_Bond_Stereo_Count	0
20198094	Undefined_Atom_Stereo_Count	2
16131923	Undefined_Atom_Stereo_Count	0
86278368	Exact_Mass	790.20636393
135444742	TPSA	207
57442010	Hydrogen_Bond_Donor_Count	1
165704207	Covalent_Unit_Count	1
70691405	Undefined_Atom_Stereo_Count	4
4535	Defined_Atom_Stereo_Count	0
28003	Defined_Atom_Stereo_Count	0
20072996	Hydrogen_Bond_Acceptor_Count	2
7447	Molecular_Weight	168.15
3400	Undefined_Atom_Stereo_Count	0
74764146	Undefined_Bond_Stereo_Count	0
742	Isotope_Atom_Count	0
12642063	Hydrogen_Bond_Donor_Count	1
67060	Undefined_Bond_Stereo_Count	0
59868	Tautomer_Count	2
11768518	Undefined_Bond_Stereo_Count	0
726944	XLogP3-AA	1.1
3568	Tautomer_Count	383
68841	Tautomer_Count	1
9687	Non-hydrogen_Atom_Count	32
3989307	Undefined_Atom_Stereo_Count	2
162990682	Structure_Complexity	1220
73049652	Exact_Mass	958.10256
144550270	Covalent_Unit_Count	1
963715	Undefined_Atom_Stereo_Count	0
224004	Molecular_Weight	360.5
139062042	Undefined_Atom_Stereo_Count	0
9942	Structure_Complexity	373
69452237	Molecular_Weight	282.32
13728301	Undefined_Atom_Stereo_Count	2
56845949	TPSA	0
134694634	Hydrogen_Bond_Donor_Count	4
21362	Total_Formal_Charge	0
37545	Covalent_Unit_Count	1
101982233	Hydrogen_Bond_Donor_Count	0
88948	Defined_Bond_Stereo_Count	0
74454	Hydrogen_Bond_Acceptor_Count	2
435	Hydrogen_Bond_Donor_Count	1
439586	Tautomer_Count	1
1711921	Tautomer_Count	3
316975	Total_Formal_Charge	0
15926139	Covalent_Unit_Count	1
15144	XLogP3-AA	0.4
138106951	Mono_Isotopic_Weight	803.48197664
11908450	Non-hydrogen_Atom_Count	23
26808	Undefined_Bond_Stereo_Count	0
4133	Defined_Atom_Stereo_Count	0
112553	Mono_Isotopic_Weight	168.115029749
57680	Defined_Atom_Stereo_Count	0
1553	Non-hydrogen_Atom_Count	20
114750	Undefined_Atom_Stereo_Count	0
44395035	Defined_Bond_Stereo_Count	0
25355	Total_Formal_Charge	0
28026	Total_Formal_Charge	0
44263854	Hydrogen_Bond_Acceptor_Count	8
98930	Hydrogen_Bond_Donor_Count	0
182484	Undefined_Bond_Stereo_Count	0
16759177	Tautomer_Count	13
84878	Exact_Mass	29.997988624
6419898	Molecular_Weight	843.1
38012	Undefined_Atom_Stereo_Count	0
148931549	Total_Formal_Charge	0
5282484	Undefined_Atom_Stereo_Count	0
14258	Non-hydrogen_Atom_Count	19
12596294	Total_Formal_Charge	0
23385871	Covalent_Unit_Count	1
444041	Defined_Bond_Stereo_Count	0
428968	Defined_Bond_Stereo_Count	0
373137	Defined_Atom_Stereo_Count	0
101469918	Defined_Atom_Stereo_Count	5
71312582	Exact_Mass	1264.0493678
94396	Undefined_Bond_Stereo_Count	1
141697522	Hydrogen_Bond_Acceptor_Count	6
11434927	Non-hydrogen_Atom_Count	8
67614074	Rotatable_Bond_Count	1
17778385	Total_Formal_Charge	0
132275556	Hydrogen_Bond_Acceptor_Count	2
103648	XLogP3-AA	3.3
78407	Covalent_Unit_Count	1
13721	Tautomer_Count	1
135554441	Rotatable_Bond_Count	6
6379	Structure_Complexity	19.1
6441606	Rotatable_Bond_Count	5
6474109	Molecular_Weight	1422.7
9954539	Covalent_Unit_Count	2
664510	Hydrogen_Bond_Donor_Count	1
32315	Defined_Atom_Stereo_Count	0
38019	Mono_Isotopic_Weight	357.844416
10197612	Hydrogen_Bond_Donor_Count	0
319715	Undefined_Atom_Stereo_Count	2
516872	Hydrogen_Bond_Acceptor_Count	2
800	Hydrogen_Bond_Donor_Count	1
18378000	Rotatable_Bond_Count	0
53926755	Defined_Atom_Stereo_Count	0
97919	Covalent_Unit_Count	1
13849	Mono_Isotopic_Weight	242.224580195
10248	Non-hydrogen_Atom_Count	15
23539487	Defined_Bond_Stereo_Count	0
229800	Tautomer_Count	1
16640	Mono_Isotopic_Weight	164.083729621
198822	TPSA	107
446998	Molecular_Weight	291.33
22753628	Structure_Complexity	106
134820051	Defined_Atom_Stereo_Count	0
65905	Exact_Mass	323.19573968
66982	Molecular_Weight	190.71
70520512	Undefined_Atom_Stereo_Count	2
85653	Hydrogen_Bond_Donor_Count	0
23418	Undefined_Atom_Stereo_Count	0
42552697	Isotope_Atom_Count	0
58877	XLogP3-AA	3.4
9886	Undefined_Bond_Stereo_Count	0
7289	Mono_Isotopic_Weight	127.9795702
53477580	Undefined_Atom_Stereo_Count	0
15407	Defined_Atom_Stereo_Count	0
21365956	Covalent_Unit_Count	1
4736391	Defined_Bond_Stereo_Count	0
6151	Hydrogen_Bond_Acceptor_Count	4
489236	Total_Formal_Charge	0
633526	TPSA	27.7
16	Defined_Atom_Stereo_Count	0
7098680	TPSA	61.9
24916897	Molecular_Weight	508.7
11243969	Defined_Atom_Stereo_Count	4
23378923	XLogP3-AA	0.8
121710	Defined_Bond_Stereo_Count	0
77715	Defined_Atom_Stereo_Count	0
136070	Undefined_Bond_Stereo_Count	0
12062	TPSA	89.3
40703	TPSA	36.9
83547	Molecular_Weight	96.91
145627882	Non-hydrogen_Atom_Count	8
43331	Molecular_Weight	334.5
6850791	Total_Formal_Charge	0
317678	Defined_Atom_Stereo_Count	0
107327	Molecular_Weight	226.40
84440	Total_Formal_Charge	0
21903575	Undefined_Bond_Stereo_Count	0
23443513	Structure_Complexity	245
66598080	Covalent_Unit_Count	1
53895487	Mono_Isotopic_Weight	97.052763847
969516	TPSA	93.1
6473767	Hydrogen_Bond_Acceptor_Count	13
4380	TPSA	12.5
45282362	Hydrogen_Bond_Acceptor_Count	4
14812	Undefined_Atom_Stereo_Count	0
227260	Structure_Complexity	299
53420035	Undefined_Atom_Stereo_Count	2
21692	Exact_Mass	268.121177757
6710664	Undefined_Atom_Stereo_Count	5
13015037	Undefined_Atom_Stereo_Count	0
7244	XLogP3	2.4
5288382	Hydrogen_Bond_Acceptor_Count	9
75094614	Non-hydrogen_Atom_Count	7
4855	XLogP3	1.3
51921896	Total_Formal_Charge	0
66494	TPSA	77.8
54889	Defined_Atom_Stereo_Count	3
19354533	TPSA	9.2
3506	Hydrogen_Bond_Donor_Count	7
91121093	Undefined_Atom_Stereo_Count	0
4693	Mono_Isotopic_Weight	776.31382363
53321481	TPSA	96.6
446753	Isotope_Atom_Count	0
34457	Non-hydrogen_Atom_Count	44
578771	Undefined_Bond_Stereo_Count	0
97414	Molecular_Weight	227.29
95069	Defined_Atom_Stereo_Count	0
9901617	Molecular_Weight	320.3
77084	Molecular_Weight	188.34
72390	Isotope_Atom_Count	0
11073376	Total_Formal_Charge	0
15405197	Covalent_Unit_Count	1
89678335	Structure_Complexity	113
15940949	Hydrogen_Bond_Donor_Count	4
23574562	Rotatable_Bond_Count	0
5311304	Non-hydrogen_Atom_Count	26
57992039	XLogP3-AA	2.8
65958	Covalent_Unit_Count	1
71607	Mono_Isotopic_Weight	194.109550447
3035406	Non-hydrogen_Atom_Count	77
15614042	Isotope_Atom_Count	0
3080641	Structure_Complexity	95.8
54411340	Mono_Isotopic_Weight	95.048347172
12609719	Defined_Bond_Stereo_Count	0
7579	Defined_Atom_Stereo_Count	0
15786916	Mono_Isotopic_Weight	60.012887157
71316600	Isotope_Atom_Count	0
7566642	Isotope_Atom_Count	0
4904	Undefined_Atom_Stereo_Count	0
23620992	Defined_Atom_Stereo_Count	8
8992	Exact_Mass	328.97518251
136888457	Exact_Mass	349.13274550
528166	TPSA	0
101203296	Structure_Complexity	252
358996	Defined_Bond_Stereo_Count	0
1519	Undefined_Atom_Stereo_Count	4
10248	Molecular_Weight	208.25
18546557	Isotope_Atom_Count	0
73801102	Molecular_Weight	101.15
45257	Mono_Isotopic_Weight	291.18344366
90469695	Hydrogen_Bond_Donor_Count	5
55595	Defined_Bond_Stereo_Count	0
51346127	Exact_Mass	602.43351033
443157	Defined_Bond_Stereo_Count	0
13418386	Structure_Complexity	98.3
6921705	Isotope_Atom_Count	0
62656	Total_Formal_Charge	0
36342	Total_Formal_Charge	0
95005	XLogP3	0.2
45117282	Mono_Isotopic_Weight	111.032028402
547935	Covalent_Unit_Count	1
74233	TPSA	20.2
12958096	Structure_Complexity	105
54531644	TPSA	40.5
54739048	Mono_Isotopic_Weight	443.16925015
91700388	Defined_Bond_Stereo_Count	0
8584	Structure_Complexity	433
44717198	Mono_Isotopic_Weight	229.1624925
11476460	Covalent_Unit_Count	1
68015385	Rotatable_Bond_Count	4
131674917	Undefined_Bond_Stereo_Count	0
6540428	Mono_Isotopic_Weight	353.21032711
62662	Undefined_Atom_Stereo_Count	0
4597	Isotope_Atom_Count	0
101033892	Covalent_Unit_Count	1
21617691	Undefined_Atom_Stereo_Count	2
76321	Rotatable_Bond_Count	2
74086836	Rotatable_Bond_Count	0
2775641	Undefined_Atom_Stereo_Count	3
13214209	Non-hydrogen_Atom_Count	8
5283381	XLogP3-AA	7.2
67383967	Defined_Bond_Stereo_Count	0
30874	Non-hydrogen_Atom_Count	13
153939154	Mono_Isotopic_Weight	114.068079557
73425158	Structure_Complexity	138
22628430	Hydrogen_Bond_Donor_Count	0
6429113	Undefined_Atom_Stereo_Count	0
3034811	Mono_Isotopic_Weight	104.968545
5472495	Rotatable_Bond_Count	4
58173	Exact_Mass	274.15689456
3731	Isotope_Atom_Count	0
1174	Exact_Mass	112.027277375
41889	Isotope_Atom_Count	0
138231	Structure_Complexity	28.7
3906779	Exact_Mass	245.03713104
18410493	Undefined_Bond_Stereo_Count	0
3033017	Exact_Mass	242.10889899
96088	TPSA	20.2
107885	XLogP3	6.3
53316407	Mono_Isotopic_Weight	531.16601780
148119	Covalent_Unit_Count	1
24149	Isotope_Atom_Count	0
24848321	Molecular_Weight	289.4
9548620	Defined_Bond_Stereo_Count	1
15148131	Molecular_Weight	272.73
91697	Structure_Complexity	179
14830385	Defined_Atom_Stereo_Count	0
12868608	Undefined_Atom_Stereo_Count	0
131954609	XLogP3-AA	5.1
520554	Tautomer_Count	1
2734931	Defined_Atom_Stereo_Count	0
45357473	Hydrogen_Bond_Donor_Count	0
5315	Hydrogen_Bond_Donor_Count	3
44520	Mono_Isotopic_Weight	224.201439453
11161534	Covalent_Unit_Count	1
7491	Mono_Isotopic_Weight	166.074227566
53921527	Defined_Bond_Stereo_Count	0
7181	Hydrogen_Bond_Donor_Count	2
114376	Undefined_Atom_Stereo_Count	1
131704316	Exact_Mass	898.40871
35056	Total_Formal_Charge	0
44558536	Structure_Complexity	387
74904	Molecular_Weight	166.22
56973549	Undefined_Atom_Stereo_Count	0
135882	Molecular_Weight	249.39
2762887	Isotope_Atom_Count	0
36383	Defined_Bond_Stereo_Count	0
129474	Defined_Atom_Stereo_Count	0
15765	Hydrogen_Bond_Donor_Count	1
57023262	Undefined_Bond_Stereo_Count	1
170759	Rotatable_Bond_Count	16
81432	XLogP3-AA	2.5
10024	Exact_Mass	104.083729621
3383	Defined_Bond_Stereo_Count	0
8863	Hydrogen_Bond_Acceptor_Count	3
21414	Total_Formal_Charge	0
1549004	Hydrogen_Bond_Donor_Count	1
403821	Undefined_Atom_Stereo_Count	1
564456	TPSA	52.5
54583932	Rotatable_Bond_Count	7
9881504	Non-hydrogen_Atom_Count	19
14660056	Non-hydrogen_Atom_Count	7
91936863	Undefined_Atom_Stereo_Count	0
80980	Mono_Isotopic_Weight	491.98210354
79081	Total_Formal_Charge	0
13624278	Structure_Complexity	95.3
57548589	Hydrogen_Bond_Acceptor_Count	0
12488467	Defined_Bond_Stereo_Count	0
671761	Covalent_Unit_Count	1
54681041	Molecular_Weight	585.6
23688359	Hydrogen_Bond_Acceptor_Count	8
130032075	Undefined_Atom_Stereo_Count	0
994360	Mono_Isotopic_Weight	410.13002836
3857	Hydrogen_Bond_Donor_Count	4
87642220	Hydrogen_Bond_Acceptor_Count	11
78490	Hydrogen_Bond_Donor_Count	0
140048	Molecular_Weight	120.17
55245	Non-hydrogen_Atom_Count	32
22627013	Undefined_Atom_Stereo_Count	1
54675777	Tautomer_Count	132
10331	XLogP3	2.4
5124249	Structure_Complexity	235
13570	Structure_Complexity	39.2
123304022	Undefined_Bond_Stereo_Count	0
70443535	Exact_Mass	180.06338810
135505	Covalent_Unit_Count	1
70693548	Total_Formal_Charge	0
176265	Non-hydrogen_Atom_Count	18
14819036	Defined_Bond_Stereo_Count	0
91420197	Isotope_Atom_Count	0
7007	Structure_Complexity	219
129428745	Undefined_Atom_Stereo_Count	0
155424	Structure_Complexity	156
9844463	Non-hydrogen_Atom_Count	31
42337	Hydrogen_Bond_Donor_Count	0
208907	Isotope_Atom_Count	0
54686764	Non-hydrogen_Atom_Count	33
36392	Isotope_Atom_Count	0
3035894	Defined_Bond_Stereo_Count	0
16290686	Undefined_Bond_Stereo_Count	0
153929434	Isotope_Atom_Count	0
5459124	Defined_Atom_Stereo_Count	0
9870009	Mono_Isotopic_Weight	485.1928781
6972	Exact_Mass	215.94221
54685920	Exact_Mass	480.1299435
13738	TPSA	42.2
59508	Non-hydrogen_Atom_Count	28
59704271	TPSA	279
69537	Covalent_Unit_Count	1
124249128	Hydrogen_Bond_Donor_Count	1
22222161	XLogP3-AA	0.5
70476156	Mono_Isotopic_Weight	102.079312947
431097	Undefined_Atom_Stereo_Count	2
5362391	Rotatable_Bond_Count	8
59018485	Undefined_Bond_Stereo_Count	0
65202	Non-hydrogen_Atom_Count	38
12231381	Hydrogen_Bond_Donor_Count	0
3440	Hydrogen_Bond_Acceptor_Count	7
24900424	Hydrogen_Bond_Donor_Count	5
61186	Undefined_Atom_Stereo_Count	0
16536	Hydrogen_Bond_Acceptor_Count	2
13364	TPSA	3.2
67807	Tautomer_Count	1
19911136	Undefined_Bond_Stereo_Count	0
13052471	Structure_Complexity	205
317883	Mono_Isotopic_Weight	378.08518617
90730816	Undefined_Atom_Stereo_Count	1
2724387	Undefined_Bond_Stereo_Count	0
11033	TPSA	124
859783	Undefined_Atom_Stereo_Count	0
79874	Molecular_Weight	205.03
58168922	Exact_Mass	101.084063974
3239844	Covalent_Unit_Count	1
57369253	Mono_Isotopic_Weight	422.36670574
19911368	Isotope_Atom_Count	0
138492	Hydrogen_Bond_Acceptor_Count	4
39356	Mono_Isotopic_Weight	163.099714038
4739262	Structure_Complexity	475
14723648	Molecular_Weight	118.13
22047	Hydrogen_Bond_Acceptor_Count	3
5198	Mono_Isotopic_Weight	247.1087545
63959	Total_Formal_Charge	0
15496999	Defined_Bond_Stereo_Count	0
134976	Hydrogen_Bond_Acceptor_Count	4
13437344	Total_Formal_Charge	0
13976559	Undefined_Atom_Stereo_Count	1
124220089	Undefined_Bond_Stereo_Count	0
489	Undefined_Atom_Stereo_Count	5
6640	Exact_Mass	200.05071541
45830	Covalent_Unit_Count	1
14795102	Hydrogen_Bond_Donor_Count	1
92588	XLogP3-AA	1.4
23616254	Total_Formal_Charge	0
5293	Non-hydrogen_Atom_Count	37
5086465	XLogP3-AA	0.8
7193	Molecular_Weight	192.25
23672329	Isotope_Atom_Count	0
123248674	XLogP3-AA	0.5
11170949	Rotatable_Bond_Count	3
15677	Mono_Isotopic_Weight	285.18008961
25154249	Mono_Isotopic_Weight	625.0814726
110373	Non-hydrogen_Atom_Count	8
12664700	Mono_Isotopic_Weight	116.047344113
96281	Total_Formal_Charge	0
70912	XLogP3	0.5
9090	Molecular_Weight	160.3
3088	Hydrogen_Bond_Donor_Count	1
154247752	Hydrogen_Bond_Acceptor_Count	3
11691484	XLogP3-AA	2.5
10659	Rotatable_Bond_Count	4
22022770	Undefined_Bond_Stereo_Count	0
714937	Molecular_Weight	313.2
54492709	Defined_Atom_Stereo_Count	0
6000	Covalent_Unit_Count	1
68849	Mono_Isotopic_Weight	297.19400834
2173	Structure_Complexity	556
935795	Molecular_Weight	316.8
101875160	TPSA	32.3
20129	Undefined_Bond_Stereo_Count	0
1706	Undefined_Bond_Stereo_Count	0
21841	Defined_Atom_Stereo_Count	0
12787246	Isotope_Atom_Count	0
23725019	Total_Formal_Charge	0
14142596	Undefined_Atom_Stereo_Count	2
146681110	Molecular_Weight	1022.2
5284535	Mono_Isotopic_Weight	392.1390516
63333521	Undefined_Atom_Stereo_Count	1
66783827	Non-hydrogen_Atom_Count	5
42884	Undefined_Bond_Stereo_Count	0
12049	TPSA	26
444972	Defined_Bond_Stereo_Count	1
6918026	Hydrogen_Bond_Acceptor_Count	13
58501	Total_Formal_Charge	0
566828	Covalent_Unit_Count	1
79488	Non-hydrogen_Atom_Count	10
5324168	Undefined_Bond_Stereo_Count	0
62760	Total_Formal_Charge	0
11174599	Undefined_Atom_Stereo_Count	0
10219674	Defined_Atom_Stereo_Count	4
76973294	TPSA	57.2
5462501	Undefined_Bond_Stereo_Count	0
64143	Molecular_Weight	567.8
28114	Mono_Isotopic_Weight	110.048012819
9470	TPSA	45.2
10953450	TPSA	30.2
2145	Defined_Bond_Stereo_Count	0
189003	Molecular_Weight	190.18
131841462	Molecular_Weight	526.6
71743826	Total_Formal_Charge	0
168971	XLogP3-AA	1.1
54530824	Molecular_Weight	114.14
14437479	Total_Formal_Charge	0
10435	Molecular_Weight	111.11
53346593	Isotope_Atom_Count	0
25273215	Hydrogen_Bond_Acceptor_Count	4
1443	Structure_Complexity	428
45375806	Covalent_Unit_Count	1
15575641	Structure_Complexity	138
6432237	Exact_Mass	72.057514874
31000	Molecular_Weight	277.23
5231	Non-hydrogen_Atom_Count	14
49789564	Rotatable_Bond_Count	5
12620	Molecular_Weight	326.6
72149	Hydrogen_Bond_Acceptor_Count	5
123786025	Hydrogen_Bond_Acceptor_Count	0
15439201	Molecular_Weight	109.13
147983909	Hydrogen_Bond_Acceptor_Count	2
4453511	Rotatable_Bond_Count	3
148121	Non-hydrogen_Atom_Count	35
5326713	Rotatable_Bond_Count	9
79811	Exact_Mass	159.0199395
139061105	Total_Formal_Charge	0
5491906	Undefined_Bond_Stereo_Count	0
14417041	Undefined_Atom_Stereo_Count	1
21696199	Structure_Complexity	108
22574	Total_Formal_Charge	0
57123750	Hydrogen_Bond_Donor_Count	5
123755	Molecular_Weight	376.3
71301276	Tautomer_Count	1
52987646	Mono_Isotopic_Weight	432.3204190
62495	Defined_Atom_Stereo_Count	0
22036716	Mono_Isotopic_Weight	100.016043985
24083	Defined_Bond_Stereo_Count	0
77674	Hydrogen_Bond_Acceptor_Count	1
142647132	Hydrogen_Bond_Acceptor_Count	3
7950	Hydrogen_Bond_Acceptor_Count	0
18717626	Hydrogen_Bond_Donor_Count	1
16736529	Defined_Bond_Stereo_Count	0
10371178	Covalent_Unit_Count	1
9818540	Tautomer_Count	3
247771	Undefined_Atom_Stereo_Count	1
24214097	Total_Formal_Charge	0
11243536	Exact_Mass	300.0796186
2801745	Molecular_Weight	101.15
25153273	Non-hydrogen_Atom_Count	11
91861230	Molecular_Weight	342.30
20393266	Covalent_Unit_Count	1
25271884	TPSA	133
44590402	Non-hydrogen_Atom_Count	29
398735	Hydrogen_Bond_Acceptor_Count	4
163253928	Isotope_Atom_Count	0
24900813	XLogP3-AA	3
6602103	TPSA	127
45789647	Undefined_Atom_Stereo_Count	1
90891909	Hydrogen_Bond_Acceptor_Count	1
6918130	Undefined_Bond_Stereo_Count	0
5281004	TPSA	93.1
58373	Molecular_Weight	265.31
9296	Undefined_Bond_Stereo_Count	0
151473	Non-hydrogen_Atom_Count	14
5330196	Hydrogen_Bond_Acceptor_Count	8
138851	Structure_Complexity	143
11115995	TPSA	43.4
21323	Total_Formal_Charge	0
64156	Non-hydrogen_Atom_Count	17
6436041	Covalent_Unit_Count	1
159738	Hydrogen_Bond_Acceptor_Count	7
74202	Covalent_Unit_Count	1
8124	Exact_Mass	162.0811428
82337	XLogP3	3.6
12264628	Exact_Mass	112.052429494
281135	Total_Formal_Charge	0
83904778	Defined_Atom_Stereo_Count	0
135565623	Structure_Complexity	3330
5962	Covalent_Unit_Count	1
82461	Non-hydrogen_Atom_Count	14
625661	Structure_Complexity	384
10964456	Tautomer_Count	3
216235	Undefined_Bond_Stereo_Count	0
130122746	Non-hydrogen_Atom_Count	8
622435	Defined_Bond_Stereo_Count	0
970648	Total_Formal_Charge	0
104149	Defined_Atom_Stereo_Count	0
69777	Hydrogen_Bond_Acceptor_Count	6
5966	Molecular_Weight	556.8
11595431	Hydrogen_Bond_Acceptor_Count	4
24825268	Isotope_Atom_Count	0
44590445	Isotope_Atom_Count	0
53311	Defined_Atom_Stereo_Count	0
417349	Isotope_Atom_Count	0
145644354	Total_Formal_Charge	0
36513	Hydrogen_Bond_Acceptor_Count	3
15269993	Isotope_Atom_Count	0
44377662	Isotope_Atom_Count	0
129659218	Undefined_Atom_Stereo_Count	0
51142	XLogP3-AA	8
85539715	Undefined_Bond_Stereo_Count	0
6426889	Covalent_Unit_Count	2
7170	Covalent_Unit_Count	1
83433	Hydrogen_Bond_Acceptor_Count	3
5029	Covalent_Unit_Count	1
12298579	Undefined_Atom_Stereo_Count	0
15122078	Undefined_Bond_Stereo_Count	0
126843096	Defined_Atom_Stereo_Count	20
41170	Hydrogen_Bond_Donor_Count	1
51803	Molecular_Weight	365.82
9037	Defined_Bond_Stereo_Count	0
29703	Covalent_Unit_Count	1
200424	Defined_Atom_Stereo_Count	0
522549	Mono_Isotopic_Weight	96.093900383
13371699	TPSA	214
550925	Undefined_Bond_Stereo_Count	0
58606855	Exact_Mass	62.0156500638
21908889	Defined_Atom_Stereo_Count	0
155742	Defined_Atom_Stereo_Count	0
49427	Non-hydrogen_Atom_Count	22
447545	XLogP3-AA	2
21100	Total_Formal_Charge	0
9827982	Molecular_Weight	518.9
12454218	Structure_Complexity	156
11990	Structure_Complexity	62.9
58230406	Non-hydrogen_Atom_Count	28
78882	Undefined_Bond_Stereo_Count	0
9795291	Molecular_Weight	265.33
2239	Covalent_Unit_Count	1
10196873	Non-hydrogen_Atom_Count	43
7026090	Isotope_Atom_Count	0
9852519	Undefined_Bond_Stereo_Count	0
64781	Defined_Bond_Stereo_Count	0
441080	Rotatable_Bond_Count	1
1397	TPSA	72.8
54949	Defined_Bond_Stereo_Count	0
54496446	Undefined_Atom_Stereo_Count	1
13149570	Hydrogen_Bond_Donor_Count	0
12601908	Non-hydrogen_Atom_Count	7
6453	Structure_Complexity	400
80252	Non-hydrogen_Atom_Count	7
14512	Molecular_Weight	112.09
7784	Exact_Mass	258.18310931
210301	Undefined_Atom_Stereo_Count	1
269	Isotope_Atom_Count	0
565962	Covalent_Unit_Count	1
9274	Hydrogen_Bond_Acceptor_Count	4
8927	Non-hydrogen_Atom_Count	19
44417326	Hydrogen_Bond_Donor_Count	3
24838350	Undefined_Bond_Stereo_Count	0
253186	Undefined_Atom_Stereo_Count	0
20543	Isotope_Atom_Count	0
5352845	Isotope_Atom_Count	0
735091	Defined_Atom_Stereo_Count	0
64247	Isotope_Atom_Count	0
688297	Molecular_Weight	217.02
24203	Undefined_Bond_Stereo_Count	0
11154496	Defined_Atom_Stereo_Count	0
7826	Non-hydrogen_Atom_Count	10
57856017	Total_Formal_Charge	0
71309208	XLogP3	2.1
15239624	Undefined_Atom_Stereo_Count	0
72551585	Covalent_Unit_Count	1
91686	Total_Formal_Charge	0
162747	Undefined_Atom_Stereo_Count	3
99010	Molecular_Weight	221.21
1712	Rotatable_Bond_Count	6
6450173	Covalent_Unit_Count	5
24949247	Mono_Isotopic_Weight	384.06981
121410806	Non-hydrogen_Atom_Count	37
12383778	Defined_Atom_Stereo_Count	0
10953595	Defined_Bond_Stereo_Count	0
14990169	Total_Formal_Charge	0
5356392	Undefined_Bond_Stereo_Count	0
24901416	Molecular_Weight	481.6
11552706	Rotatable_Bond_Count	6
65646	Non-hydrogen_Atom_Count	32
11269429	Mono_Isotopic_Weight	394.25079494
51369	Defined_Bond_Stereo_Count	0
12867691	Mono_Isotopic_Weight	167.073499291
131510180	Mono_Isotopic_Weight	81.057849228
137375527	TPSA	59.8
138680	Undefined_Bond_Stereo_Count	0
16202184	Covalent_Unit_Count	1
6439276	Defined_Bond_Stereo_Count	1
11418	Isotope_Atom_Count	0
4973027	Hydrogen_Bond_Acceptor_Count	2
5287541	Exact_Mass	309.06709375
71332025	Hydrogen_Bond_Donor_Count	0
1569	Defined_Atom_Stereo_Count	0
83904774	XLogP3-AA	0.2
6634	Molecular_Weight	284.72
25086585	Undefined_Bond_Stereo_Count	0
59072033	Undefined_Bond_Stereo_Count	0
18728307	Structure_Complexity	77
23394557	Total_Formal_Charge	0
9887304	Rotatable_Bond_Count	3
69503325	Total_Formal_Charge	0
523224	Mono_Isotopic_Weight	110.109550447
75530159	Isotope_Atom_Count	0
24393	Defined_Atom_Stereo_Count	0
534132	Mono_Isotopic_Weight	80.062600255
135550179	Undefined_Atom_Stereo_Count	0
5440	Rotatable_Bond_Count	6
285657	Rotatable_Bond_Count	0
3553	Exact_Mass	454.1922300
53846419	Non-hydrogen_Atom_Count	30
68437	TPSA	44.8
46231556	Isotope_Atom_Count	0
57647726	Non-hydrogen_Atom_Count	24
74219	Total_Formal_Charge	0
11417567	TPSA	68
171018	Total_Formal_Charge	0
53893636	Rotatable_Bond_Count	2
3382	TPSA	99.1
13698	Hydrogen_Bond_Acceptor_Count	0
11382469	Undefined_Atom_Stereo_Count	0
59279784	Total_Formal_Charge	0
122824	Undefined_Atom_Stereo_Count	1
54111	Non-hydrogen_Atom_Count	16
23618032	Covalent_Unit_Count	2
122522140	Covalent_Unit_Count	1
65217	Undefined_Bond_Stereo_Count	0
2752647	Defined_Bond_Stereo_Count	0
2734224	Tautomer_Count	1
94182	Undefined_Atom_Stereo_Count	1
14523486	Structure_Complexity	469
97004	TPSA	102
235713	Hydrogen_Bond_Donor_Count	2
21685	Undefined_Atom_Stereo_Count	2
61002	XLogP3	0.1
6538995	Structure_Complexity	492
24750	Isotope_Atom_Count	0
11864	Undefined_Atom_Stereo_Count	1
12701395	Hydrogen_Bond_Acceptor_Count	1
5288149	Hydrogen_Bond_Donor_Count	3
460516	Non-hydrogen_Atom_Count	17
23663403	Total_Formal_Charge	0
9805635	Mono_Isotopic_Weight	491.23212518
3283968	Defined_Atom_Stereo_Count	0
11731903	Covalent_Unit_Count	2
92374	Mono_Isotopic_Weight	236.04669266
10238	Exact_Mass	427.01989983
17522	TPSA	83.6
84020522	Rotatable_Bond_Count	1
9574343	Tautomer_Count	2
8870	Undefined_Bond_Stereo_Count	0
61027	Exact_Mass	240.208930132
117828099	Defined_Bond_Stereo_Count	2
54595596	Undefined_Atom_Stereo_Count	1
101925253	XLogP3-AA	8.6
53739	Undefined_Bond_Stereo_Count	0
146158974	Exact_Mass	402.1710204
6419957	Hydrogen_Bond_Donor_Count	30
9889823	Molecular_Weight	447.5
90878759	Undefined_Atom_Stereo_Count	0
821645	Undefined_Bond_Stereo_Count	0
11957378	Total_Formal_Charge	0
59952	Isotope_Atom_Count	0
53316386	Non-hydrogen_Atom_Count	36
67781	XLogP3	2
12768403	Hydrogen_Bond_Donor_Count	2
65802	Total_Formal_Charge	0
89628790	Molecular_Weight	113.16
709225	Defined_Bond_Stereo_Count	0
6917773	Molecular_Weight	497.9
829795	XLogP3-AA	0.4
14786610	Defined_Bond_Stereo_Count	0
13381	Molecular_Weight	140.27
11007859	Undefined_Atom_Stereo_Count	0
73902	Exact_Mass	284.1080262
129627867	Undefined_Atom_Stereo_Count	0
7844	Hydrogen_Bond_Acceptor_Count	0
66124	Undefined_Atom_Stereo_Count	0
3038495	Defined_Bond_Stereo_Count	0
3743617	Defined_Atom_Stereo_Count	0
662452	Hydrogen_Bond_Acceptor_Count	7
39268	Defined_Atom_Stereo_Count	0
63089348	Total_Formal_Charge	0
86609	Covalent_Unit_Count	1
71616	TPSA	76.7
565932	Defined_Atom_Stereo_Count	0
10953453	Structure_Complexity	129
30072	Defined_Bond_Stereo_Count	0
44404643	Rotatable_Bond_Count	12
11170991	Structure_Complexity	129
53476	Hydrogen_Bond_Acceptor_Count	4
12290	Undefined_Bond_Stereo_Count	0
22934413	Isotope_Atom_Count	0
11234052	Molecular_Weight	370.4
1437819	TPSA	37.4
139244568	Rotatable_Bond_Count	2
7987	Molecular_Weight	290.35
688015	Undefined_Bond_Stereo_Count	0
4591	Undefined_Atom_Stereo_Count	18
69188	Undefined_Bond_Stereo_Count	0
3032306	Undefined_Atom_Stereo_Count	1
92043179	Covalent_Unit_Count	2
550964	Hydrogen_Bond_Donor_Count	1
17534	Tautomer_Count	1
566589	Exact_Mass	98.048012819
13433677	Defined_Atom_Stereo_Count	0
146049032	Undefined_Bond_Stereo_Count	0
18759236	Molecular_Weight	101.15
145874935	TPSA	110
8066	Undefined_Bond_Stereo_Count	0
15256279	Exact_Mass	99.104799419
9926832	Defined_Atom_Stereo_Count	3
56754	Mono_Isotopic_Weight	340.16879665
65300	Defined_Atom_Stereo_Count	0
5241	Total_Formal_Charge	0
5284566	Undefined_Atom_Stereo_Count	0
123237074	Undefined_Atom_Stereo_Count	1
70321834	Defined_Atom_Stereo_Count	0
1578	Rotatable_Bond_Count	0
10000989	TPSA	68
15887953	Undefined_Bond_Stereo_Count	0
135398595	Defined_Atom_Stereo_Count	3
11633167	Rotatable_Bond_Count	7
165286	Rotatable_Bond_Count	0
108381	Hydrogen_Bond_Acceptor_Count	8
139631450	XLogP3-AA	1
10289038	Exact_Mass	491.23212518
77137	Total_Formal_Charge	0
13037720	Hydrogen_Bond_Donor_Count	3
446715	Mono_Isotopic_Weight	1052.1073021
59502	Defined_Atom_Stereo_Count	0
3095	XLogP3-AA	5
332	Defined_Atom_Stereo_Count	0
10047003	Hydrogen_Bond_Donor_Count	1
23295738	Defined_Bond_Stereo_Count	0
5283316	TPSA	17.1
148763531	Exact_Mass	107.048347172
72640182	Defined_Atom_Stereo_Count	0
53739	Structure_Complexity	240
12375	Covalent_Unit_Count	1
9689	Tautomer_Count	1
25849	Exact_Mass	275.224914549
23615599	Rotatable_Bond_Count	4
64032	Total_Formal_Charge	0
28788	Undefined_Atom_Stereo_Count	0
135392883	Undefined_Atom_Stereo_Count	1
24892722	Structure_Complexity	151
25715	Covalent_Unit_Count	2
10475633	Non-hydrogen_Atom_Count	28
91063960	Undefined_Atom_Stereo_Count	0
44381655	Covalent_Unit_Count	1
129848667	Non-hydrogen_Atom_Count	29
68778068	Defined_Atom_Stereo_Count	0
87355672	Structure_Complexity	93.8
135400184	Non-hydrogen_Atom_Count	20
117762967	Non-hydrogen_Atom_Count	15
6328027	Total_Formal_Charge	0
220338	TPSA	37.3
445643	Hydrogen_Bond_Acceptor_Count	12
45878	Hydrogen_Bond_Donor_Count	0
12062378	TPSA	26
688586	Defined_Atom_Stereo_Count	0
141210311	Mono_Isotopic_Weight	116.047344113
5283134	Molecular_Weight	625.8
11829369	Structure_Complexity	90.4
71455217	Molecular_Weight	526.5
135491830	Undefined_Bond_Stereo_Count	0
118388029	Undefined_Bond_Stereo_Count	0
68793	Hydrogen_Bond_Donor_Count	2
90988075	Covalent_Unit_Count	1
1795	Undefined_Atom_Stereo_Count	0
275196	XLogP3-AA	2.7
23080870	Rotatable_Bond_Count	2
6328152	Hydrogen_Bond_Donor_Count	1
813505	Mono_Isotopic_Weight	277.0254188
19933	Hydrogen_Bond_Acceptor_Count	1
637969	Rotatable_Bond_Count	0
3878	XLogP3-AA	1.4
14924483	Rotatable_Bond_Count	6
23672325	Covalent_Unit_Count	2
87417871	Hydrogen_Bond_Acceptor_Count	1
49806720	Undefined_Atom_Stereo_Count	0
3876660	TPSA	40
247	Non-hydrogen_Atom_Count	8
24825270	Total_Formal_Charge	0
439213	TPSA	116
101375997	Hydrogen_Bond_Donor_Count	13
15945857	Exact_Mass	387.16952493
12300006	Structure_Complexity	1140
10473088	Defined_Atom_Stereo_Count	3
20632752	Rotatable_Bond_Count	4
3416433	XLogP3-AA	2.1
9982767	Non-hydrogen_Atom_Count	34
15257141	Total_Formal_Charge	0
134613	Molecular_Weight	270.28
638021	Defined_Atom_Stereo_Count	1
134826477	Non-hydrogen_Atom_Count	49
9576912	Isotope_Atom_Count	0
140898864	Defined_Atom_Stereo_Count	0
3852430	XLogP3-AA	4.2
303892	Non-hydrogen_Atom_Count	18
5565	Hydrogen_Bond_Donor_Count	4
68520829	Undefined_Atom_Stereo_Count	0
23130211	Isotope_Atom_Count	0
69334516	Undefined_Atom_Stereo_Count	0
21803	Structure_Complexity	278
126968545	Structure_Complexity	609
261491	Total_Formal_Charge	0
3353976	Exact_Mass	191.07284784
14262	Hydrogen_Bond_Donor_Count	0
10346	Undefined_Atom_Stereo_Count	0
20798615	Molecular_Weight	100.16
44792	Hydrogen_Bond_Donor_Count	2
55286155	Undefined_Atom_Stereo_Count	0
118210494	TPSA	18.5
70248	Defined_Atom_Stereo_Count	0
34313	Structure_Complexity	273
5464186	Undefined_Atom_Stereo_Count	0
15144	Rotatable_Bond_Count	2
35365	Total_Formal_Charge	0
6957647	Defined_Atom_Stereo_Count	0
99963	Covalent_Unit_Count	1
6537499	Rotatable_Bond_Count	2
7309	TPSA	20.2
117781134	Total_Formal_Charge	0
86287525	Exact_Mass	353.0679523
137606	Defined_Bond_Stereo_Count	0
51683431	TPSA	190
86154978	TPSA	216
135871122	Tautomer_Count	85
53692307	Hydrogen_Bond_Donor_Count	0
53393558	Exact_Mass	220.182715385
3103	TPSA	12.5
10342051	Molecular_Weight	419.9
519449	Defined_Bond_Stereo_Count	0
56845689	Undefined_Atom_Stereo_Count	1
12036651	Undefined_Atom_Stereo_Count	0
91439	Undefined_Bond_Stereo_Count	0
11194316	Exact_Mass	116.047344113
13398	Exact_Mass	140.120115130
15706803	Isotope_Atom_Count	0
24458	TPSA	0
224392	Defined_Atom_Stereo_Count	0
274	Hydrogen_Bond_Acceptor_Count	10
8018	Structure_Complexity	16.4
22002061	Total_Formal_Charge	0
44033	Non-hydrogen_Atom_Count	23
53387035	Covalent_Unit_Count	1
5282706	Defined_Bond_Stereo_Count	1
5311037	XLogP3-AA	2.5
154699876	Covalent_Unit_Count	1
18728219	Defined_Atom_Stereo_Count	0
522448	Exact_Mass	100.088815002
20782671	Undefined_Atom_Stereo_Count	0
5283560	Tautomer_Count	1
219301	Defined_Bond_Stereo_Count	0
139986	Non-hydrogen_Atom_Count	7
6736	Defined_Atom_Stereo_Count	0
80782	Undefined_Atom_Stereo_Count	0
5365369	Molecular_Weight	337.6
11500973	Structure_Complexity	440
13479278	Mono_Isotopic_Weight	95.073499291
54684141	Exact_Mass	270.06161202
24916942	Undefined_Atom_Stereo_Count	0
550668	Rotatable_Bond_Count	4
79783	XLogP3-AA	1.8
5107	Non-hydrogen_Atom_Count	34
9828911	XLogP3-AA	2.8
11339	TPSA	115
24756256	Undefined_Atom_Stereo_Count	0
99915	Exact_Mass	210.115698455
57394330	Defined_Atom_Stereo_Count	3
13507	Tautomer_Count	3
23676152	Total_Formal_Charge	0
129856110	Hydrogen_Bond_Donor_Count	4
131770024	Undefined_Bond_Stereo_Count	0
545624	Isotope_Atom_Count	0
309266	Rotatable_Bond_Count	2
392622	Molecular_Weight	720.9
44148067	Hydrogen_Bond_Donor_Count	3
141048867	Isotope_Atom_Count	0
85056	Rotatable_Bond_Count	4
130035	Undefined_Atom_Stereo_Count	2
12658	Undefined_Bond_Stereo_Count	2
57069375	Defined_Atom_Stereo_Count	6
22673292	Exact_Mass	106.062994177
2034	Rotatable_Bond_Count	2
16760328	Rotatable_Bond_Count	13
7234	Structure_Complexity	255
5364920	Undefined_Bond_Stereo_Count	0
6454823	Isotope_Atom_Count	0
14453671	Covalent_Unit_Count	1
10219384	Defined_Atom_Stereo_Count	0
23311753	Hydrogen_Bond_Acceptor_Count	3
23665731	Hydrogen_Bond_Donor_Count	1
72327	Mono_Isotopic_Weight	260.08084968
3081561	Molecular_Weight	1680.5
23615430	Hydrogen_Bond_Acceptor_Count	5
135413528	Undefined_Atom_Stereo_Count	0
17779928	Defined_Atom_Stereo_Count	0
87743	Rotatable_Bond_Count	4
6427071	Exact_Mass	194.130679813
44338981	Defined_Atom_Stereo_Count	0
74411	Mono_Isotopic_Weight	378.20423867
5460495	Mono_Isotopic_Weight	115.063328530
41530	Defined_Bond_Stereo_Count	0
11953947	Rotatable_Bond_Count	22
54742254	TPSA	115
76687	Rotatable_Bond_Count	5
83979	Rotatable_Bond_Count	5
166534	Hydrogen_Bond_Acceptor_Count	6
11773081	Hydrogen_Bond_Acceptor_Count	4
4142809	Hydrogen_Bond_Donor_Count	2
59174488	Covalent_Unit_Count	1
12623598	XLogP3-AA	0.4
441035	Undefined_Bond_Stereo_Count	0
136682	Exact_Mass	168.09727168
3104	Isotope_Atom_Count	0
9827103	Hydrogen_Bond_Acceptor_Count	12
537224	Structure_Complexity	111
107952	Non-hydrogen_Atom_Count	23
53477781	Mono_Isotopic_Weight	368.21988874
13348970	Structure_Complexity	66.7
85812	Molecular_Weight	202.25
14072448	Mono_Isotopic_Weight	114.042927438
121396	Structure_Complexity	227
24867454	TPSA	95.6
85576	Hydrogen_Bond_Acceptor_Count	2
12412245	Hydrogen_Bond_Donor_Count	1
85824359	Rotatable_Bond_Count	0
146159711	Exact_Mass	665.30474055
56974851	XLogP3-AA	0.4
6391	Isotope_Atom_Count	0
87716431	Molecular_Weight	1059.6
19762	Undefined_Atom_Stereo_Count	1
451188	Non-hydrogen_Atom_Count	12
11248978	Isotope_Atom_Count	0
967	Defined_Atom_Stereo_Count	0
41723	Total_Formal_Charge	0
9885626	Non-hydrogen_Atom_Count	26
441383	Hydrogen_Bond_Acceptor_Count	7
439213	Mono_Isotopic_Weight	179.07937252
444742	Mono_Isotopic_Weight	1379.2204766
122241575	Hydrogen_Bond_Acceptor_Count	3
36906	Total_Formal_Charge	0
23703990	Undefined_Bond_Stereo_Count	0
65456803	Defined_Bond_Stereo_Count	0
11648276	Mono_Isotopic_Weight	460.15109573
5909	Rotatable_Bond_Count	3
10285	Rotatable_Bond_Count	0
73348284	Non-hydrogen_Atom_Count	150
61027	Structure_Complexity	187
5865	Defined_Atom_Stereo_Count	6
13848132	Mono_Isotopic_Weight	104.094963011
20320770	Rotatable_Bond_Count	0
3590	Defined_Atom_Stereo_Count	0
12868	Defined_Bond_Stereo_Count	0
12211348	Defined_Bond_Stereo_Count	0
6129	Mono_Isotopic_Weight	201.078978594
56649463	Structure_Complexity	889
87359450	Mono_Isotopic_Weight	493.3717989
537037	Total_Formal_Charge	0
88454	Total_Formal_Charge	0
2583	Tautomer_Count	3
60558	Molecular_Weight	575.6
557737	TPSA	18.5
44123551	Isotope_Atom_Count	0
71167	Defined_Atom_Stereo_Count	0
40904	Defined_Atom_Stereo_Count	0
69588	Defined_Atom_Stereo_Count	0
54675776	Total_Formal_Charge	0
143506727	Exact_Mass	108.093900383
135413547	Molecular_Weight	516.7
23716436	Undefined_Bond_Stereo_Count	0
9871420	Molecular_Weight	522.6
27914	Covalent_Unit_Count	1
87424384	Defined_Bond_Stereo_Count	0
6769	Molecular_Weight	666.7
7958	TPSA	17.1
23393	XLogP3	1.3
44477	Tautomer_Count	1
6359	TPSA	0
54231313	Molecular_Weight	99.09
19859	Tautomer_Count	3
90818	Defined_Atom_Stereo_Count	0
16996	Undefined_Atom_Stereo_Count	0
164543616	Mono_Isotopic_Weight	113.047678466
9595290	Total_Formal_Charge	0
21666609	Mono_Isotopic_Weight	99.068413911
2779031	Structure_Complexity	237
5483874	Hydrogen_Bond_Donor_Count	0
24864462	Undefined_Bond_Stereo_Count	0
25203188	Mono_Isotopic_Weight	688.42720141
3229	TPSA	85.8
10986277	Undefined_Atom_Stereo_Count	0
13401731	TPSA	21.9
53631526	Undefined_Bond_Stereo_Count	0
10176082	Non-hydrogen_Atom_Count	4
12594098	XLogP3-AA	3.2
67258902	Hydrogen_Bond_Donor_Count	1
54752774	Non-hydrogen_Atom_Count	25
572717	Isotope_Atom_Count	0
5275520	Rotatable_Bond_Count	4
6836	TPSA	4.9
24208	Defined_Atom_Stereo_Count	0
5475	Undefined_Atom_Stereo_Count	0
60165656	Undefined_Atom_Stereo_Count	0
21804	Non-hydrogen_Atom_Count	18
57328384	Isotope_Atom_Count	0
12209629	Exact_Mass	127.099714038
91763	Isotope_Atom_Count	0
71887	Exact_Mass	248.12732577
5678496	Total_Formal_Charge	0
271814	Mono_Isotopic_Weight	256.146329876
24232	Covalent_Unit_Count	1
38876	Tautomer_Count	1
16048558	Hydrogen_Bond_Donor_Count	0
449124	Molecular_Weight	675.7
68713	Molecular_Weight	255.31
21675633	Mono_Isotopic_Weight	114.104465066
6326334	Hydrogen_Bond_Acceptor_Count	8
50561	Undefined_Atom_Stereo_Count	0
22141508	Undefined_Atom_Stereo_Count	0
132519	Exact_Mass	388.21105539
6659	Structure_Complexity	97.9
2342	Molecular_Weight	404.5
163050677	Molecular_Weight	284.35
123884	Undefined_Atom_Stereo_Count	0
3084101	Rotatable_Bond_Count	0
274068	Rotatable_Bond_Count	1
447	Undefined_Atom_Stereo_Count	0
126547509	Covalent_Unit_Count	1
62267	Structure_Complexity	310
20693488	Defined_Atom_Stereo_Count	0
88239551	TPSA	26
5311093	Exact_Mass	417.32429423
668621	Molecular_Weight	310.4
6096880	Defined_Bond_Stereo_Count	0
359379	Undefined_Bond_Stereo_Count	0
163326	Defined_Bond_Stereo_Count	0
66199435	Hydrogen_Bond_Donor_Count	1
4449	Covalent_Unit_Count	1
69162577	Hydrogen_Bond_Donor_Count	1
6708701	Defined_Atom_Stereo_Count	2
54890	Mono_Isotopic_Weight	498.23660143
10707	Covalent_Unit_Count	1
7551	Isotope_Atom_Count	0
760006	Isotope_Atom_Count	0
185	Undefined_Bond_Stereo_Count	0
21275073	Defined_Bond_Stereo_Count	0
10313382	Hydrogen_Bond_Acceptor_Count	6
5622	TPSA	72.9
18199	Hydrogen_Bond_Acceptor_Count	2
31018	Rotatable_Bond_Count	1
73922	Exact_Mass	257.95277
146157455	Covalent_Unit_Count	1
65583	Molecular_Weight	422.3
16422	Total_Formal_Charge	0
31307	Molecular_Weight	394.4
10569	TPSA	37.3
180494	Rotatable_Bond_Count	2
519543	TPSA	52.6
25094462	Structure_Complexity	913
5139	Rotatable_Bond_Count	2
4110	XLogP3-AA	4.7
23725625	XLogP3-AA	1.9
2734248	Total_Formal_Charge	0
44407558	Hydrogen_Bond_Donor_Count	2
71267	Undefined_Atom_Stereo_Count	0
203	Molecular_Weight	176.13
136219155	Undefined_Bond_Stereo_Count	0
21896651	Molecular_Weight	1526.5
86912	Hydrogen_Bond_Acceptor_Count	2
136247302	Hydrogen_Bond_Acceptor_Count	2
453214	Exact_Mass	456.12677620
9954944	Hydrogen_Bond_Acceptor_Count	11
25137678	TPSA	18.5
70691395	Molecular_Weight	422.5
66624196	Covalent_Unit_Count	1
7076	Defined_Bond_Stereo_Count	0
121232226	Hydrogen_Bond_Donor_Count	1
57397290	Non-hydrogen_Atom_Count	36
12725	Structure_Complexity	70.1
89137	Defined_Atom_Stereo_Count	0
152119	Covalent_Unit_Count	1
520455	Hydrogen_Bond_Donor_Count	0
517202	Molecular_Weight	219.94
1293762	Defined_Bond_Stereo_Count	0
98070685	Tautomer_Count	1
52943373	Undefined_Atom_Stereo_Count	0
11651921	TPSA	110
153427669	Isotope_Atom_Count	0
13838145	Defined_Atom_Stereo_Count	0
97383	Isotope_Atom_Count	0
83656	Molecular_Weight	310.5
731747	Molecular_Weight	337.4
67937	Hydrogen_Bond_Donor_Count	0
129888394	XLogP3-AA	1.1
443945	Defined_Bond_Stereo_Count	0
81141	Undefined_Bond_Stereo_Count	0
27528	TPSA	54.4
18711507	Rotatable_Bond_Count	0
952	Defined_Atom_Stereo_Count	0
4376677	Total_Formal_Charge	0
164576789	Undefined_Bond_Stereo_Count	1
3035842	Non-hydrogen_Atom_Count	12
13711	Molecular_Weight	227.22
9909677	Tautomer_Count	10
135052535	TPSA	54.4
87479093	Isotope_Atom_Count	0
176872	Undefined_Bond_Stereo_Count	4
7143	Rotatable_Bond_Count	1
2724505	Covalent_Unit_Count	1
9164	Hydrogen_Bond_Acceptor_Count	0
11954041	Mono_Isotopic_Weight	326.18819469
162501	Isotope_Atom_Count	0
11020	Defined_Atom_Stereo_Count	0
71774	Undefined_Atom_Stereo_Count	1
135515430	Hydrogen_Bond_Donor_Count	1
55182	Covalent_Unit_Count	3
9866696	Rotatable_Bond_Count	3
129319344	XLogP3-AA	12.1
5148195	TPSA	29.5
116129411	Total_Formal_Charge	0
65420	Isotope_Atom_Count	0
53413800	TPSA	29.1
91776	Non-hydrogen_Atom_Count	26
49142	Undefined_Bond_Stereo_Count	0
19779961	Defined_Bond_Stereo_Count	0
593411	Total_Formal_Charge	0
5496	Covalent_Unit_Count	1
23180086	Total_Formal_Charge	0
3823887	Undefined_Atom_Stereo_Count	9
129019256	TPSA	32.6
115141	Hydrogen_Bond_Donor_Count	2
9888340	Defined_Atom_Stereo_Count	2
4478	Hydrogen_Bond_Donor_Count	7
131750190	Molecular_Weight	1674.8
7848	Defined_Bond_Stereo_Count	0
11696	Hydrogen_Bond_Donor_Count	2
83423	Defined_Bond_Stereo_Count	0
24802025	Hydrogen_Bond_Acceptor_Count	11
10218	Exact_Mass	466.28315770
9871	Undefined_Atom_Stereo_Count	0
19938019	Non-hydrogen_Atom_Count	8
5284633	Non-hydrogen_Atom_Count	32
21566834	Undefined_Atom_Stereo_Count	0
9884833	Tautomer_Count	2
52948146	Total_Formal_Charge	0
134150175	TPSA	110
24825271	Hydrogen_Bond_Acceptor_Count	6
75171	Structure_Complexity	76
193991	Exact_Mass	318.11906976
60196374	Structure_Complexity	120
200638	Hydrogen_Bond_Donor_Count	0
59264466	Rotatable_Bond_Count	2
10034073	Covalent_Unit_Count	1
118705485	Undefined_Atom_Stereo_Count	1
81577	Structure_Complexity	157
49869041	Exact_Mass	363.19467705
5328940	Hydrogen_Bond_Donor_Count	1
3045414	Exact_Mass	243.1026065
5284363	Undefined_Atom_Stereo_Count	0
101616201	Covalent_Unit_Count	1
10994	TPSA	47.6
33311	Non-hydrogen_Atom_Count	21
6327546	XLogP3-AA	3.1
10466948	Total_Formal_Charge	0
22580	Defined_Atom_Stereo_Count	0
66615209	Non-hydrogen_Atom_Count	8
13046623	Hydrogen_Bond_Acceptor_Count	1
9854073	Molecular_Weight	835.9
408964	Defined_Bond_Stereo_Count	0
6066	Tautomer_Count	1
101567485	Non-hydrogen_Atom_Count	27
22674	Covalent_Unit_Count	2
68583	Non-hydrogen_Atom_Count	36
2019	Hydrogen_Bond_Acceptor_Count	18
60165517	Rotatable_Bond_Count	5
68647	Undefined_Bond_Stereo_Count	0
175586	Hydrogen_Bond_Acceptor_Count	10
123909	Tautomer_Count	12
133612499	Exact_Mass	1033.54575866
134283942	Exact_Mass	111.068413911
3153	Covalent_Unit_Count	1
6426854	TPSA	66.4
15256279	Structure_Complexity	57.2
640308	Tautomer_Count	3
135430323	Rotatable_Bond_Count	0
57458936	Isotope_Atom_Count	0
117188942	Undefined_Atom_Stereo_Count	0
61680	Undefined_Bond_Stereo_Count	0
53323740	TPSA	60.9
14385	Total_Formal_Charge	0
57091294	Hydrogen_Bond_Acceptor_Count	3
66545744	Defined_Atom_Stereo_Count	2
58227482	Covalent_Unit_Count	1
7563	Tautomer_Count	2
12395962	Undefined_Atom_Stereo_Count	0
58325	Rotatable_Bond_Count	4
166556	Defined_Atom_Stereo_Count	0
47419	Structure_Complexity	968
60209141	Tautomer_Count	36
390658	Undefined_Bond_Stereo_Count	0
135975	Exact_Mass	316.125200510
15741339	Rotatable_Bond_Count	1
709156	Mono_Isotopic_Weight	346.11398438
68075820	Undefined_Atom_Stereo_Count	3
1551097	Exact_Mass	273.00689880
11988286	Defined_Bond_Stereo_Count	0
45085029	Defined_Atom_Stereo_Count	0
87457638	Hydrogen_Bond_Acceptor_Count	11
21868057	Isotope_Atom_Count	0
24014	Isotope_Atom_Count	0
9353	Hydrogen_Bond_Donor_Count	2
19816937	Molecular_Weight	111.10
13117013	Defined_Bond_Stereo_Count	0
19667	Exact_Mass	256.170139325
83644	Undefined_Bond_Stereo_Count	0
23703979	Hydrogen_Bond_Acceptor_Count	9
1942902	TPSA	69.1
85489	Isotope_Atom_Count	0
11105310	Mono_Isotopic_Weight	92.026214747
20297545	Covalent_Unit_Count	1
10963	Structure_Complexity	51.2
12713	Defined_Atom_Stereo_Count	0
46780152	Structure_Complexity	688
44720578	Non-hydrogen_Atom_Count	7
103609	Tautomer_Count	1
6526	Defined_Atom_Stereo_Count	0
25127622	Isotope_Atom_Count	0
15211200	Defined_Bond_Stereo_Count	0
12441297	Total_Formal_Charge	0
640997	Total_Formal_Charge	0
9547096	Defined_Bond_Stereo_Count	0
4927	Covalent_Unit_Count	1
149836	TPSA	37.3
14106676	Molecular_Weight	114.14
2866	Hydrogen_Bond_Acceptor_Count	4
122023	Molecular_Weight	360.5
91749	Defined_Atom_Stereo_Count	0
57750420	Isotope_Atom_Count	0
73854	Isotope_Atom_Count	0
5284515	Non-hydrogen_Atom_Count	29
10197842	Mono_Isotopic_Weight	163.06669983
62739	TPSA	65.7
85760873	Non-hydrogen_Atom_Count	7
22323244	Defined_Bond_Stereo_Count	0
78431	Hydrogen_Bond_Donor_Count	0
409409	Hydrogen_Bond_Acceptor_Count	2
12585787	XLogP3-AA	2.2
131225344	Rotatable_Bond_Count	0
11768666	Defined_Bond_Stereo_Count	0
6992284	TPSA	31.8
18756	Mono_Isotopic_Weight	136.125200510
628181	Molecular_Weight	370.5
7479	Non-hydrogen_Atom_Count	11
8831	XLogP3-AA	3.2
134819268	Hydrogen_Bond_Donor_Count	7
21355780	Covalent_Unit_Count	1
44410953	Covalent_Unit_Count	1
101008927	Non-hydrogen_Atom_Count	20
53321036	Covalent_Unit_Count	1
459494	Rotatable_Bond_Count	4
5319	Exact_Mass	276.05686342
335	Hydrogen_Bond_Donor_Count	1
7754	Defined_Bond_Stereo_Count	0
1470715	XLogP3-AA	1.9
11908449	Undefined_Atom_Stereo_Count	0
9031	Hydrogen_Bond_Acceptor_Count	1
67108443	Undefined_Atom_Stereo_Count	0
91727	Undefined_Atom_Stereo_Count	1
6602378	Structure_Complexity	686
18617909	Defined_Atom_Stereo_Count	0
16124688	Mono_Isotopic_Weight	376.10347683
16134956	Exact_Mass	3749.9498161
77048	Defined_Bond_Stereo_Count	0
39056	XLogP3-AA	3.9
13282	Molecular_Weight	250.19
141140139	Covalent_Unit_Count	1
635	Covalent_Unit_Count	1
52920469	Mono_Isotopic_Weight	441.1138572
93032	Defined_Bond_Stereo_Count	0
21236	Structure_Complexity	93.1
41465	Exact_Mass	256.240230259
91227950	XLogP3-AA	0.4
481709	Non-hydrogen_Atom_Count	21
10261049	Undefined_Bond_Stereo_Count	0
196981	Hydrogen_Bond_Acceptor_Count	2
8268	Hydrogen_Bond_Acceptor_Count	1
73755067	Mono_Isotopic_Weight	376.07706310
717663	Undefined_Bond_Stereo_Count	1
23725625	Undefined_Atom_Stereo_Count	0
640091	Rotatable_Bond_Count	1
71228	Mono_Isotopic_Weight	270.11167570
5462814	Hydrogen_Bond_Donor_Count	2
168076	Defined_Bond_Stereo_Count	0
74791	Total_Formal_Charge	0
7172	Hydrogen_Bond_Acceptor_Count	3
3452818	Undefined_Bond_Stereo_Count	0
22924371	Rotatable_Bond_Count	0
140568	Undefined_Bond_Stereo_Count	0
62235131	Defined_Atom_Stereo_Count	0
3074943	Tautomer_Count	6
22188	Undefined_Bond_Stereo_Count	0
449424	Defined_Bond_Stereo_Count	0
25256833	Non-hydrogen_Atom_Count	20
18171	Tautomer_Count	1
3662392	Mono_Isotopic_Weight	188.123256411
17159	Hydrogen_Bond_Donor_Count	0
31390	Rotatable_Bond_Count	3
1474141	Defined_Bond_Stereo_Count	0
10305301	Molecular_Weight	677.7
57288387	Mono_Isotopic_Weight	180.06338810
89280865	Hydrogen_Bond_Donor_Count	0
557816	Exact_Mass	112.052429494
9815418	Structure_Complexity	151
20728717	Covalent_Unit_Count	1
6999109	Hydrogen_Bond_Acceptor_Count	5
16158207	Exact_Mass	1585.4110510
447555	TPSA	134
129746471	Rotatable_Bond_Count	0
89421960	Defined_Atom_Stereo_Count	0
66908038	Undefined_Atom_Stereo_Count	3
10232719	Covalent_Unit_Count	1
7225	Undefined_Atom_Stereo_Count	0
14502976	Structure_Complexity	205
49868370	Hydrogen_Bond_Acceptor_Count	5
819440	XLogP3-AA	0.6
44565821	TPSA	142
9465	Rotatable_Bond_Count	3
44571102	Covalent_Unit_Count	1
12031	Non-hydrogen_Atom_Count	14
24848343	Rotatable_Bond_Count	2
91810695	Total_Formal_Charge	0
67210	Undefined_Atom_Stereo_Count	0
73951506	Molecular_Weight	531.4
56944144	TPSA	77
12510987	Exact_Mass	98.084398327
25058186	Total_Formal_Charge	0
136721436	Hydrogen_Bond_Acceptor_Count	7
70692035	Defined_Bond_Stereo_Count	0
2032	Hydrogen_Bond_Donor_Count	2
122214878	Hydrogen_Bond_Donor_Count	6
65836	Defined_Bond_Stereo_Count	0
11859	XLogP3	4
30251	Total_Formal_Charge	0
712377	Tautomer_Count	2
102019	Mono_Isotopic_Weight	161.0607417
140625088	Mono_Isotopic_Weight	284.16237386
54015928	Exact_Mass	97.052763847
20607721	Exact_Mass	94.078250319
5320868	Hydrogen_Bond_Donor_Count	1
71257	TPSA	43.2
1102	Covalent_Unit_Count	1
3716	Mono_Isotopic_Weight	561.2645865
1444	Covalent_Unit_Count	1
137941	Total_Formal_Charge	0
180335	Rotatable_Bond_Count	6
18718236	Undefined_Bond_Stereo_Count	0
40585	Undefined_Bond_Stereo_Count	0
446400	Structure_Complexity	604
928685	XLogP3-AA	3.4
85192	Structure_Complexity	86.2
108137	Molecular_Weight	277.32
139580	Tautomer_Count	1
5281607	Rotatable_Bond_Count	1
160865755	Hydrogen_Bond_Acceptor_Count	2
3015773	Non-hydrogen_Atom_Count	7
5281969	Isotope_Atom_Count	0
11396600	Rotatable_Bond_Count	7
5289143	Undefined_Bond_Stereo_Count	0
69341756	Molecular_Weight	113.11
74534	Isotope_Atom_Count	0
129816	Undefined_Atom_Stereo_Count	1
90425973	TPSA	60.2
521300	Non-hydrogen_Atom_Count	6
82111162	TPSA	23.2
104883	Defined_Atom_Stereo_Count	0
67317342	XLogP3-AA	1.3
141466486	Molecular_Weight	98.10
825784	Exact_Mass	248.04119
144513	Isotope_Atom_Count	0
575278	Exact_Mass	115.099714038
6476333	Structure_Complexity	936
122051	Undefined_Bond_Stereo_Count	0
56950301	Structure_Complexity	732
65535	Hydrogen_Bond_Acceptor_Count	3
13704589	Hydrogen_Bond_Donor_Count	1
55290897	Exact_Mass	93.021463719
573612	Undefined_Bond_Stereo_Count	0
5625	Defined_Bond_Stereo_Count	0
12540922	Hydrogen_Bond_Acceptor_Count	1
137942834	Defined_Atom_Stereo_Count	0
44563111	TPSA	98.7
22648408	Hydrogen_Bond_Donor_Count	2
11308	Exact_Mass	212.06847348
53432	TPSA	15.6
6452419	Covalent_Unit_Count	1
143440	Isotope_Atom_Count	0
131170	Hydrogen_Bond_Acceptor_Count	4
21998472	Mono_Isotopic_Weight	208.146329876
548835	Undefined_Atom_Stereo_Count	0
23677832	Hydrogen_Bond_Donor_Count	1
71453775	Structure_Complexity	790
5281417	Defined_Atom_Stereo_Count	5
10221470	Molecular_Weight	284.35
75355757	Rotatable_Bond_Count	2
11951725	Total_Formal_Charge	0
52946966	XLogP3-AA	3.3
65919	Defined_Atom_Stereo_Count	0
55291103	Hydrogen_Bond_Acceptor_Count	3
103563227	Defined_Bond_Stereo_Count	0
44392176	Defined_Bond_Stereo_Count	0
55289600	Structure_Complexity	124
71226662	TPSA	119
36811	Total_Formal_Charge	0
11725479	Defined_Atom_Stereo_Count	0
6610318	XLogP3-AA	1.2
93154	Isotope_Atom_Count	0
58512812	Undefined_Bond_Stereo_Count	0
6400	Tautomer_Count	1
57399651	Undefined_Atom_Stereo_Count	0
78837	XLogP3-AA	2.2
21701560	Undefined_Bond_Stereo_Count	0
448372	Undefined_Bond_Stereo_Count	0
60196334	Undefined_Bond_Stereo_Count	0
456222	Mono_Isotopic_Weight	237.98541
18480	Defined_Bond_Stereo_Count	0
3264	Exact_Mass	356.19875937
49862688	Rotatable_Bond_Count	6
144292374	Defined_Bond_Stereo_Count	0
220001	Defined_Bond_Stereo_Count	0
31425	Defined_Atom_Stereo_Count	0
12546243	TPSA	17.1
54181480	TPSA	56.8
49440	Molecular_Weight	220.6
135564980	XLogP3-AA	3.6
16211115	Hydrogen_Bond_Donor_Count	0
60155458	Hydrogen_Bond_Acceptor_Count	9
227112	TPSA	74.6
54105649	Mono_Isotopic_Weight	112.088815002
46203391	Undefined_Atom_Stereo_Count	1
11804710	Defined_Bond_Stereo_Count	0
85538	Isotope_Atom_Count	0
52941030	TPSA	91.7
5462508	Mono_Isotopic_Weight	271.12084340
830	Rotatable_Bond_Count	5
9698	Isotope_Atom_Count	0
56649416	Defined_Atom_Stereo_Count	11
73303	Molecular_Weight	420.5
13393280	Defined_Atom_Stereo_Count	0
20157043	Rotatable_Bond_Count	0
533519	Undefined_Atom_Stereo_Count	1
62881	Mono_Isotopic_Weight	656.34147767
42610	Structure_Complexity	521
58232624	Hydrogen_Bond_Acceptor_Count	1
60196267	Undefined_Bond_Stereo_Count	0
55296078	Rotatable_Bond_Count	1
44630020	Rotatable_Bond_Count	11
197281	Hydrogen_Bond_Acceptor_Count	26
1615208	Defined_Bond_Stereo_Count	0
21107383	XLogP3-AA	3.5
25780	Hydrogen_Bond_Donor_Count	1
78808	XLogP3-AA	1.7
53001	Isotope_Atom_Count	0
53316721	Undefined_Atom_Stereo_Count	0
57357013	Defined_Bond_Stereo_Count	0
71752170	Defined_Atom_Stereo_Count	5
15569631	Isotope_Atom_Count	0
36978	Non-hydrogen_Atom_Count	21
198	Covalent_Unit_Count	1
60820	Exact_Mass	421.27292737
9552077	Covalent_Unit_Count	7
49864603	Mono_Isotopic_Weight	374.1309671
50896	Tautomer_Count	1
124021	Covalent_Unit_Count	1
18714263	Mono_Isotopic_Weight	111.079647300
2115	Tautomer_Count	1
44485	Tautomer_Count	34
11271640	Isotope_Atom_Count	0
67247849	Defined_Atom_Stereo_Count	0
135398731	Non-hydrogen_Atom_Count	32
1050	Total_Formal_Charge	0
131270	Mono_Isotopic_Weight	255.03654252
31200	Undefined_Atom_Stereo_Count	0
42615	Structure_Complexity	2450
3033871	Undefined_Bond_Stereo_Count	0
3058	Defined_Bond_Stereo_Count	0
53806232	Rotatable_Bond_Count	2
4825	TPSA	57.9
135398510	Undefined_Bond_Stereo_Count	0
122679474	Defined_Bond_Stereo_Count	0
129600762	Undefined_Atom_Stereo_Count	0
5288615	Defined_Atom_Stereo_Count	1
23897	Mono_Isotopic_Weight	276.183778013
51358375	Rotatable_Bond_Count	19
522325	Defined_Atom_Stereo_Count	0
21092	Rotatable_Bond_Count	4
66840	Mono_Isotopic_Weight	242.95311
91347456	Undefined_Bond_Stereo_Count	0
5458165	Rotatable_Bond_Count	6
54687420	Molecular_Weight	249.19
8580	Mono_Isotopic_Weight	173.047678466
410467	Hydrogen_Bond_Donor_Count	2
5067511	Tautomer_Count	1
134692352	Hydrogen_Bond_Donor_Count	3
15284	Mono_Isotopic_Weight	512.24101810
16685015	Molecular_Weight	535.63
23683938	TPSA	110
16760627	Undefined_Atom_Stereo_Count	4
95659	Mono_Isotopic_Weight	198.104465066
58265608	Total_Formal_Charge	0
77412	Isotope_Atom_Count	0
57249823	Hydrogen_Bond_Donor_Count	0
15050	Defined_Atom_Stereo_Count	0
22097456	Total_Formal_Charge	0
866430	Undefined_Atom_Stereo_Count	0
14913584	TPSA	47.6
136153	Mono_Isotopic_Weight	68.062600255
40299	Structure_Complexity	262
709955	Defined_Atom_Stereo_Count	0
446934	Molecular_Weight	292.5
6323	TPSA	0
518234	Hydrogen_Bond_Donor_Count	0
25246274	Undefined_Atom_Stereo_Count	0
98080	Defined_Bond_Stereo_Count	0
54726193	Mono_Isotopic_Weight	558.21259212
3810	Defined_Bond_Stereo_Count	0
20206050	Total_Formal_Charge	0
50938	Mono_Isotopic_Weight	257.177964357
19022	Non-hydrogen_Atom_Count	18
11452022	Non-hydrogen_Atom_Count	26
35717	Structure_Complexity	235
90488850	Defined_Bond_Stereo_Count	1
16211197	Exact_Mass	150.06405680
76985	Rotatable_Bond_Count	2
41653	Mono_Isotopic_Weight	897.47219980
3132	Defined_Atom_Stereo_Count	0
135705561	Hydrogen_Bond_Acceptor_Count	7
10460376	Structure_Complexity	1060
6347	Isotope_Atom_Count	0
480953	Hydrogen_Bond_Donor_Count	0
7248	XLogP3	2.5
819440	Hydrogen_Bond_Acceptor_Count	3
7902	Hydrogen_Bond_Acceptor_Count	2
5289158	Rotatable_Bond_Count	2
118994155	Structure_Complexity	147
14885960	Structure_Complexity	493
5329056	XLogP3-AA	4.9
89268685	XLogP3-AA	0.3
147577	XLogP3-AA	3.9
6973643	Hydrogen_Bond_Acceptor_Count	1
78205	Mono_Isotopic_Weight	214.9985354
163921573	Isotope_Atom_Count	0
59055623	TPSA	0
55288429	Hydrogen_Bond_Donor_Count	1
535634	Defined_Bond_Stereo_Count	0
810229	Rotatable_Bond_Count	7
24891698	Total_Formal_Charge	0
3014295	Total_Formal_Charge	0
126251	Isotope_Atom_Count	0
12468309	XLogP3-AA	0.8
7393	TPSA	20.2
1549065	TPSA	77.6
11983295	Defined_Bond_Stereo_Count	0
145679260	Total_Formal_Charge	0
129635886	Hydrogen_Bond_Donor_Count	3
53671684	Undefined_Bond_Stereo_Count	1
688297	Covalent_Unit_Count	1
10877967	Hydrogen_Bond_Donor_Count	0
11281011	Rotatable_Bond_Count	11
53595	Hydrogen_Bond_Donor_Count	2
10753	Hydrogen_Bond_Acceptor_Count	6
11083864	Hydrogen_Bond_Donor_Count	1
75389	Defined_Atom_Stereo_Count	0
61341	Exact_Mass	146.036779430
621174	XLogP3	4.4
18506396	Non-hydrogen_Atom_Count	8
119054	Hydrogen_Bond_Acceptor_Count	5
70278898	Defined_Atom_Stereo_Count	2
138059757	Defined_Bond_Stereo_Count	0
38251	Non-hydrogen_Atom_Count	20
57874	XLogP3-AA	3.2
69860	Total_Formal_Charge	0
222865	Total_Formal_Charge	0
10967532	Rotatable_Bond_Count	1
24114	Undefined_Bond_Stereo_Count	0
54598306	Undefined_Bond_Stereo_Count	0
5310805	Hydrogen_Bond_Acceptor_Count	5
171375	TPSA	113
91003779	XLogP3-AA	1.1
10034574	TPSA	26
86751	Total_Formal_Charge	0
126968498	Undefined_Atom_Stereo_Count	0
16058317	Hydrogen_Bond_Acceptor_Count	19
11636816	Structure_Complexity	28.7
12313170	TPSA	158
69807449	XLogP3-AA	0.1
182420	Defined_Bond_Stereo_Count	0
644131	Hydrogen_Bond_Donor_Count	6
42985	TPSA	132
43375	Defined_Bond_Stereo_Count	0
2734174	Rotatable_Bond_Count	3
3209	Structure_Complexity	398
94910	Rotatable_Bond_Count	6
5282449	TPSA	97.6
5478927	Hydrogen_Bond_Donor_Count	0
22512	Isotope_Atom_Count	0
76280	XLogP3	2.1
15532	Structure_Complexity	256
1837	Exact_Mass	202.146998583
12974	Hydrogen_Bond_Donor_Count	0
6914621	Structure_Complexity	680
25015463	Hydrogen_Bond_Acceptor_Count	8
23729877	Hydrogen_Bond_Donor_Count	2
21908889	Hydrogen_Bond_Donor_Count	3
122653117	Mono_Isotopic_Weight	114.031694049
16058752	Hydrogen_Bond_Acceptor_Count	9
11146	Non-hydrogen_Atom_Count	63
5324776	Total_Formal_Charge	0
137673	Hydrogen_Bond_Donor_Count	0
322968	Rotatable_Bond_Count	2
588352	Rotatable_Bond_Count	7
735940	Hydrogen_Bond_Donor_Count	0
3820	Undefined_Atom_Stereo_Count	0
9378	Non-hydrogen_Atom_Count	13
135413552	Total_Formal_Charge	0
61743	Molecular_Weight	170.25
93285	Defined_Bond_Stereo_Count	0
613144	Rotatable_Bond_Count	2
77137	Structure_Complexity	50
57255355	TPSA	32.8
2192	Defined_Bond_Stereo_Count	0
5284443	Defined_Bond_Stereo_Count	0
146159626	Rotatable_Bond_Count	5
20392	Defined_Atom_Stereo_Count	0
48104	Total_Formal_Charge	0
491	Defined_Bond_Stereo_Count	0
68216	Non-hydrogen_Atom_Count	16
82419	Covalent_Unit_Count	1
11672905	Undefined_Bond_Stereo_Count	0
528630	Hydrogen_Bond_Donor_Count	1
3083702	Covalent_Unit_Count	1
17604	Undefined_Atom_Stereo_Count	0
26660	Hydrogen_Bond_Acceptor_Count	1
53167	Hydrogen_Bond_Donor_Count	1
7016	XLogP3-AA	3.7
442632	Undefined_Atom_Stereo_Count	0
16052007	TPSA	137
3083714	Rotatable_Bond_Count	23
68353	TPSA	80.3
67175581	Rotatable_Bond_Count	0
163940225	Defined_Bond_Stereo_Count	0
53322797	Defined_Bond_Stereo_Count	0
20118532	Total_Formal_Charge	0
6918155	Covalent_Unit_Count	1
21591456	Tautomer_Count	1
65947	Exact_Mass	461.10568470
90769054	XLogP3-AA	0.3
6024631	Defined_Bond_Stereo_Count	1
98162749	Mono_Isotopic_Weight	284.16237386
647893	Structure_Complexity	541
11009	Covalent_Unit_Count	2
6762	Hydrogen_Bond_Donor_Count	0
14404	TPSA	28
146156930	Total_Formal_Charge	0
3087722	Covalent_Unit_Count	1
13015037	Structure_Complexity	335
17753851	XLogP3-AA	3.4
6603901	Exact_Mass	402.16785316
15184917	Hydrogen_Bond_Acceptor_Count	1
58126	Non-hydrogen_Atom_Count	15
81885	TPSA	27.7
42665	Non-hydrogen_Atom_Count	12
7920	Structure_Complexity	128
18517524	Mono_Isotopic_Weight	433.928234
133057415	Undefined_Bond_Stereo_Count	0
126575987	Defined_Bond_Stereo_Count	0
28803	Molecular_Weight	302.32
652019	Structure_Complexity	781
53718834	Undefined_Atom_Stereo_Count	1
11185559	TPSA	56.7
159325	Rotatable_Bond_Count	7
52936034	TPSA	75.7
119138	Undefined_Bond_Stereo_Count	0
54016283	Structure_Complexity	45.8
5360886	Non-hydrogen_Atom_Count	20
72076	Non-hydrogen_Atom_Count	27
637932	Hydrogen_Bond_Donor_Count	0
687906	Total_Formal_Charge	0
90927	XLogP3-AA	1.6
42642645	Molecular_Weight	632.7
135433604	Isotope_Atom_Count	0
19962939	Undefined_Atom_Stereo_Count	0
98136	TPSA	12
135418283	Hydrogen_Bond_Donor_Count	2
71311389	Defined_Bond_Stereo_Count	0
12040508	Exact_Mass	405.02516722
18769664	Hydrogen_Bond_Acceptor_Count	1
21677760	Undefined_Bond_Stereo_Count	0
541493	Total_Formal_Charge	0
151193	Molecular_Weight	464.9
10297982	Exact_Mass	456.14092497
133679779	Hydrogen_Bond_Acceptor_Count	1
10303030	Rotatable_Bond_Count	5
12394645	Rotatable_Bond_Count	0
6321340	Non-hydrogen_Atom_Count	61
121489236	TPSA	2920
42486	Structure_Complexity	106
11217523	Non-hydrogen_Atom_Count	7
25144864	Non-hydrogen_Atom_Count	78
2759255	XLogP3-AA	0.1
70689447	Hydrogen_Bond_Donor_Count	4
10017963	Non-hydrogen_Atom_Count	23
439935	Hydrogen_Bond_Donor_Count	2
22629	Undefined_Atom_Stereo_Count	0
1993	Hydrogen_Bond_Acceptor_Count	2
37247	Non-hydrogen_Atom_Count	15
69325	Tautomer_Count	1
121493082	Structure_Complexity	18900
10975436	Rotatable_Bond_Count	0
100927764	Hydrogen_Bond_Acceptor_Count	4
79005	Non-hydrogen_Atom_Count	5
13799	Covalent_Unit_Count	2
40466974	Undefined_Bond_Stereo_Count	0
23663407	Covalent_Unit_Count	2
11222822	Rotatable_Bond_Count	4
53939864	Defined_Bond_Stereo_Count	0
12962854	Hydrogen_Bond_Donor_Count	0
11492406	Undefined_Atom_Stereo_Count	0
12563	Defined_Atom_Stereo_Count	0
5370221	Rotatable_Bond_Count	5
135546482	Undefined_Atom_Stereo_Count	0
98416	Mono_Isotopic_Weight	246.125594432
23669238	Mono_Isotopic_Weight	537.8933753
84647647	Defined_Atom_Stereo_Count	0
12561970	Undefined_Bond_Stereo_Count	0
10775	TPSA	81.8
54469425	XLogP3-AA	0.3
28837	Molecular_Weight	334.1
124510	Non-hydrogen_Atom_Count	7
59703143	Hydrogen_Bond_Donor_Count	1
446113	Undefined_Bond_Stereo_Count	0
20277171	Defined_Bond_Stereo_Count	0
66219	Structure_Complexity	282
992406	Non-hydrogen_Atom_Count	24
3478594	TPSA	12
534954	TPSA	17.1
23986637	Defined_Atom_Stereo_Count	2
5330	Mono_Isotopic_Weight	280.06301143
87380	Exact_Mass	240.133427172
16685	Covalent_Unit_Count	1
17861	Rotatable_Bond_Count	3
54258195	Hydrogen_Bond_Acceptor_Count	3
53867497	Molecular_Weight	261.10
661122	Defined_Atom_Stereo_Count	0
80467969	Exact_Mass	112.088815002
6538897	Isotope_Atom_Count	0
13401682	Rotatable_Bond_Count	3
33786	Defined_Atom_Stereo_Count	0
2580	Hydrogen_Bond_Acceptor_Count	4
527526	Covalent_Unit_Count	1
85924947	Defined_Bond_Stereo_Count	0
21190979	Rotatable_Bond_Count	3
14619629	Hydrogen_Bond_Donor_Count	1
37034	XLogP3	7.2
81110	Non-hydrogen_Atom_Count	12
90479783	Hydrogen_Bond_Acceptor_Count	10
135410865	Defined_Bond_Stereo_Count	0
36559	Hydrogen_Bond_Donor_Count	0
440194	Structure_Complexity	274
12907914	Rotatable_Bond_Count	0
82532	Structure_Complexity	33.9
15808	Defined_Atom_Stereo_Count	0
21786	Undefined_Bond_Stereo_Count	0
114853	Non-hydrogen_Atom_Count	1
100427	Total_Formal_Charge	0
2762895	Hydrogen_Bond_Donor_Count	2
7897	Exact_Mass	88.052429494
1369	Structure_Complexity	439
8263	Isotope_Atom_Count	0
3562	Hydrogen_Bond_Acceptor_Count	3
3641960	Undefined_Atom_Stereo_Count	0
130324566	Defined_Bond_Stereo_Count	0
5513	Undefined_Atom_Stereo_Count	31
135463451	Undefined_Atom_Stereo_Count	0
9820034	Undefined_Atom_Stereo_Count	0
13362585	Defined_Atom_Stereo_Count	0
538433	Undefined_Atom_Stereo_Count	0
41214	Exact_Mass	333.0767857
5520	Hydrogen_Bond_Donor_Count	1
30545	Covalent_Unit_Count	1
9191	XLogP3-AA	3.4
139202065	Defined_Atom_Stereo_Count	2
10017963	Structure_Complexity	481
1413	Rotatable_Bond_Count	14
10040	Rotatable_Bond_Count	0
6327869	TPSA	17.1
12515628	Covalent_Unit_Count	1
46907953	Undefined_Atom_Stereo_Count	0
49865496	Defined_Bond_Stereo_Count	0
6554040	Hydrogen_Bond_Acceptor_Count	4
3036703	Defined_Atom_Stereo_Count	3
72199432	Mono_Isotopic_Weight	581.27976659
66559276	Hydrogen_Bond_Acceptor_Count	3
19013328	Exact_Mass	110.048012819
164135990	Molecular_Weight	95.14
65114	TPSA	141
16217605	Undefined_Atom_Stereo_Count	0
397053	Mono_Isotopic_Weight	511.9605092
10429215	Defined_Bond_Stereo_Count	0
118098295	Undefined_Atom_Stereo_Count	4
1166	Mono_Isotopic_Weight	566.05502130
69333859	TPSA	51.2
19031614	Exact_Mass	187.1127773
105014	Hydrogen_Bond_Acceptor_Count	9
637760	Isotope_Atom_Count	0
7827	Undefined_Atom_Stereo_Count	0
105426944	Undefined_Bond_Stereo_Count	0
56846509	Non-hydrogen_Atom_Count	14
5329	Isotope_Atom_Count	0
67564795	Defined_Atom_Stereo_Count	0
15615	Exact_Mass	98.084398327
140951	Mono_Isotopic_Weight	94.078250319
9543528	Defined_Atom_Stereo_Count	2
58599	Tautomer_Count	2
71462389	Structure_Complexity	650
636397	Undefined_Bond_Stereo_Count	0
20587	Total_Formal_Charge	0
54585643	Non-hydrogen_Atom_Count	28
453077	Structure_Complexity	247
76658	Isotope_Atom_Count	0
10898680	Undefined_Atom_Stereo_Count	1
12149091	Mono_Isotopic_Weight	556.381749540
2775316	Undefined_Atom_Stereo_Count	0
9699	Defined_Atom_Stereo_Count	0
9601	Total_Formal_Charge	0
120737	Molecular_Weight	297.82
21492	Exact_Mass	105.042593085
135398737	Non-hydrogen_Atom_Count	23
20790054	Isotope_Atom_Count	0
839	Non-hydrogen_Atom_Count	11
135436537	Molecular_Weight	431.4
12243	Non-hydrogen_Atom_Count	6
57874	Covalent_Unit_Count	1
129893562	Rotatable_Bond_Count	26
11476467	Non-hydrogen_Atom_Count	32
147226284	Undefined_Atom_Stereo_Count	2
4903	Structure_Complexity	766
22420437	Molecular_Weight	83.13
11804893	Hydrogen_Bond_Donor_Count	0
119182	Covalent_Unit_Count	1
11864	XLogP3-AA	0.3
14644797	Undefined_Atom_Stereo_Count	1
86851	Defined_Bond_Stereo_Count	0
87478594	Non-hydrogen_Atom_Count	8
90486	Hydrogen_Bond_Donor_Count	0
71911	Covalent_Unit_Count	1
65106	Structure_Complexity	403
15214552	Hydrogen_Bond_Acceptor_Count	2
44626421	Non-hydrogen_Atom_Count	49
3622	Undefined_Bond_Stereo_Count	0
70620	Hydrogen_Bond_Donor_Count	0
44305779	Exact_Mass	500.05177
10254	Undefined_Atom_Stereo_Count	0
6793	Undefined_Bond_Stereo_Count	0
21809327	Isotope_Atom_Count	0
10928	Hydrogen_Bond_Donor_Count	0
3445	Total_Formal_Charge	0
201652	Tautomer_Count	1
65990	Defined_Bond_Stereo_Count	0
90477400	Hydrogen_Bond_Acceptor_Count	1
13159184	Exact_Mass	164.06847348
59392388	Exact_Mass	101.084063974
41515	Hydrogen_Bond_Donor_Count	0
135779828	Structure_Complexity	365
249414	Rotatable_Bond_Count	2
5746249	Defined_Bond_Stereo_Count	1
8969	Defined_Bond_Stereo_Count	0
54676715	XLogP3-AA	4.3
38283	Hydrogen_Bond_Acceptor_Count	4
2520	Rotatable_Bond_Count	13
673664	Total_Formal_Charge	0
398729	Non-hydrogen_Atom_Count	20
2734236	Exact_Mass	218.04186
24597	Hydrogen_Bond_Acceptor_Count	4
5211	Non-hydrogen_Atom_Count	26
49868115	Exact_Mass	233.800115
19695800	Total_Formal_Charge	0
56658437	Total_Formal_Charge	0
5460037	Non-hydrogen_Atom_Count	34
5702044	Isotope_Atom_Count	0
9951059	Rotatable_Bond_Count	5
105709961	Structure_Complexity	96.7
5126	Defined_Atom_Stereo_Count	0
60028369	Undefined_Atom_Stereo_Count	0
134820103	Rotatable_Bond_Count	11
24424	Undefined_Atom_Stereo_Count	0
2051	Mono_Isotopic_Weight	315.0774544
9952916	Hydrogen_Bond_Acceptor_Count	4
20217132	Molecular_Weight	85.15
129689816	Defined_Bond_Stereo_Count	0
91692850	Molecular_Weight	342.30
17963208	XLogP3-AA	4.8
15189027	Rotatable_Bond_Count	1
32675	Defined_Bond_Stereo_Count	0
12701402	Covalent_Unit_Count	1
409453	Hydrogen_Bond_Acceptor_Count	1
5378708	Undefined_Atom_Stereo_Count	0
19932705	Non-hydrogen_Atom_Count	8
23760141	Covalent_Unit_Count	1
102472	Undefined_Atom_Stereo_Count	2
58265178	Covalent_Unit_Count	1
11485	Total_Formal_Charge	0
5460822	Undefined_Bond_Stereo_Count	0
312915	Total_Formal_Charge	0
9681	XLogP3	2.3
95640	Tautomer_Count	1
52943269	Structure_Complexity	665
57468	Isotope_Atom_Count	0
131737226	Defined_Atom_Stereo_Count	0
155970842	Structure_Complexity	109
49857672	Rotatable_Bond_Count	8
667486	Hydrogen_Bond_Donor_Count	3
13158036	Exact_Mass	97.089149355
11815712	Mono_Isotopic_Weight	1225.94005901
121207425	Molecular_Weight	112.13
441409	Molecular_Weight	484.4
135705228	Hydrogen_Bond_Donor_Count	8
87671146	Hydrogen_Bond_Donor_Count	0
25023856	Non-hydrogen_Atom_Count	34
12302681	Structure_Complexity	382
5314658	Structure_Complexity	68.2
9298	Total_Formal_Charge	0
16623	Undefined_Atom_Stereo_Count	0
9001	Total_Formal_Charge	0
12895043	Mono_Isotopic_Weight	416.32904526
4136526	Covalent_Unit_Count	1
23667638	Molecular_Weight	255.97
69852	Non-hydrogen_Atom_Count	10
71809	Mono_Isotopic_Weight	403.20859
12291486	Covalent_Unit_Count	1
86248095	Covalent_Unit_Count	1
118305111	Defined_Bond_Stereo_Count	0
160134	Non-hydrogen_Atom_Count	22
29911	Covalent_Unit_Count	3
5472	Tautomer_Count	1
123348667	TPSA	20.3
3378440	Defined_Atom_Stereo_Count	0
53317194	Undefined_Atom_Stereo_Count	0
16120	Total_Formal_Charge	0
153643637	Defined_Atom_Stereo_Count	0
12743036	Defined_Bond_Stereo_Count	0
54793	Covalent_Unit_Count	1
69109362	Exact_Mass	101.047678466
63025	Hydrogen_Bond_Donor_Count	1
5357258	Structure_Complexity	44
110821	Defined_Bond_Stereo_Count	0
44226825	Rotatable_Bond_Count	5
7004913	TPSA	26
58233	Hydrogen_Bond_Donor_Count	3
16757820	Undefined_Atom_Stereo_Count	1
72385	TPSA	103
5479141	Total_Formal_Charge	0
19778654	Undefined_Atom_Stereo_Count	0
135565574	Total_Formal_Charge	0
81574	Mono_Isotopic_Weight	128.131348519
642623	Covalent_Unit_Count	1
10350317	Total_Formal_Charge	0
163994814	TPSA	59.4
3851	Hydrogen_Bond_Donor_Count	1
13978	Tautomer_Count	3
135404289	Hydrogen_Bond_Donor_Count	2
598777	Undefined_Bond_Stereo_Count	0
8761	Total_Formal_Charge	0
67435079	Isotope_Atom_Count	0
46196517	Defined_Bond_Stereo_Count	0
11949689	Defined_Bond_Stereo_Count	0
2042	Defined_Bond_Stereo_Count	0
10715	Defined_Bond_Stereo_Count	0
64168	Defined_Bond_Stereo_Count	0
13203	Non-hydrogen_Atom_Count	8
10660	Defined_Atom_Stereo_Count	0
91668194	Molecular_Weight	415.4
5323977	Mono_Isotopic_Weight	114.042927438
5283393	XLogP3-AA	5.6
155649598	TPSA	34
123606	Undefined_Atom_Stereo_Count	0
9917968	Tautomer_Count	1
21549213	Non-hydrogen_Atom_Count	7
7567018	Covalent_Unit_Count	1
54758307	Molecular_Weight	458.6
57136075	Structure_Complexity	93.2
42108	Hydrogen_Bond_Donor_Count	0
2735085	Non-hydrogen_Atom_Count	6
55861	Total_Formal_Charge	0
443881	Isotope_Atom_Count	0
946	Covalent_Unit_Count	1
156252	TPSA	101
5282452	Hydrogen_Bond_Donor_Count	3
11093	Tautomer_Count	1
138948	Isotope_Atom_Count	0
144440	Undefined_Atom_Stereo_Count	1
69968	Rotatable_Bond_Count	18
56928061	Hydrogen_Bond_Donor_Count	11
199402	Exact_Mass	1202.74992724
4084	Hydrogen_Bond_Acceptor_Count	6
65793	TPSA	80.3
45270144	Exact_Mass	501.19877419
60724	XLogP3-AA	2.6
58325	Undefined_Atom_Stereo_Count	0
2709	Defined_Atom_Stereo_Count	0
10668284	Non-hydrogen_Atom_Count	29
24608	Undefined_Bond_Stereo_Count	0
9581	Non-hydrogen_Atom_Count	13
6917715	TPSA	37.3
10809009	Non-hydrogen_Atom_Count	25
9576912	Rotatable_Bond_Count	5
8181	Defined_Atom_Stereo_Count	0
15179723	Structure_Complexity	62.7
55404	Rotatable_Bond_Count	19
3795601	Non-hydrogen_Atom_Count	8
135457302	Total_Formal_Charge	0
23667303	Isotope_Atom_Count	0
141738	Exact_Mass	96.093900383
53864533	Mono_Isotopic_Weight	114.042927438
20158038	Hydrogen_Bond_Acceptor_Count	1
5636	Hydrogen_Bond_Acceptor_Count	5
448281	Structure_Complexity	527
4468	Isotope_Atom_Count	0
151746651	Hydrogen_Bond_Donor_Count	1
2394	Exact_Mass	1156.40524244
3000668	Undefined_Atom_Stereo_Count	1
23679632	Isotope_Atom_Count	0
3657	Isotope_Atom_Count	0
13150	Tautomer_Count	1
59172784	Exact_Mass	95.073499291
70684819	Hydrogen_Bond_Acceptor_Count	5
12259684	Defined_Bond_Stereo_Count	0
722533	Defined_Bond_Stereo_Count	0
6438712	Exact_Mass	290.15180918
449	Covalent_Unit_Count	1
7172302	Defined_Bond_Stereo_Count	0
11565240	Molecular_Weight	268.31
31298	Total_Formal_Charge	0
4489	Undefined_Atom_Stereo_Count	19
25195407	Non-hydrogen_Atom_Count	26
7156899	Total_Formal_Charge	0
10540046	Molecular_Weight	271.34
5374527	Defined_Atom_Stereo_Count	0
104727	Hydrogen_Bond_Acceptor_Count	0
102993	Non-hydrogen_Atom_Count	7
153386581	Non-hydrogen_Atom_Count	7
12205389	Defined_Bond_Stereo_Count	0
119693	Covalent_Unit_Count	1
132275556	Exact_Mass	111.068413911
11111	Rotatable_Bond_Count	0
54313333	Molecular_Weight	101.15
88481085	Hydrogen_Bond_Donor_Count	3
70864	Total_Formal_Charge	0
129316724	Isotope_Atom_Count	3
18422690	Mono_Isotopic_Weight	110.048012819
24680	TPSA	17.1
12453028	Undefined_Bond_Stereo_Count	0
6924	Hydrogen_Bond_Acceptor_Count	3
20311319	Rotatable_Bond_Count	0
8039	Non-hydrogen_Atom_Count	8
81764	Defined_Bond_Stereo_Count	0
16363	Exact_Mass	381.18525518
44244962	Exact_Mass	258.11033829
70734	Tautomer_Count	1
8189	Rotatable_Bond_Count	9
11366997	Hydrogen_Bond_Donor_Count	1
53364498	Rotatable_Bond_Count	4
521983	Hydrogen_Bond_Acceptor_Count	3
444025	Covalent_Unit_Count	1
102032439	Rotatable_Bond_Count	2
20190619	Isotope_Atom_Count	0
83191	Undefined_Bond_Stereo_Count	0
16102132	Exact_Mass	665.30474055
5702279	Non-hydrogen_Atom_Count	36
89914	Exact_Mass	335.167399674
86446	Hydrogen_Bond_Donor_Count	0
11059434	Hydrogen_Bond_Acceptor_Count	4
85859899	Mono_Isotopic_Weight	96.021129366
40218	Total_Formal_Charge	0
53803945	Non-hydrogen_Atom_Count	8
86154978	Mono_Isotopic_Weight	343.04002688
162990682	Exact_Mass	665.30474055
5166299	Defined_Atom_Stereo_Count	0
24090	TPSA	0
2837669	XLogP3-AA	2.2
11697697	Structure_Complexity	655
10813807	Hydrogen_Bond_Acceptor_Count	10
548521	Hydrogen_Bond_Acceptor_Count	3
69673	Covalent_Unit_Count	1
86277430	TPSA	86
14025	Hydrogen_Bond_Donor_Count	0
257156	TPSA	75.3
529031	Mono_Isotopic_Weight	111.068413911
82593533	Covalent_Unit_Count	1
8181	Mono_Isotopic_Weight	270.255880323
131697803	Hydrogen_Bond_Acceptor_Count	3
140793266	Undefined_Atom_Stereo_Count	0
9818231	Rotatable_Bond_Count	3
8115	TPSA	9.2
517546	Covalent_Unit_Count	5
131443	Defined_Bond_Stereo_Count	0
9883029	Defined_Bond_Stereo_Count	0
19427	TPSA	0
8182	Covalent_Unit_Count	1
10219	Total_Formal_Charge	0
46196517	XLogP3-AA	3.8
118994155	Hydrogen_Bond_Acceptor_Count	2
69052440	Total_Formal_Charge	0
113027	Covalent_Unit_Count	1
38361	Structure_Complexity	422
76957620	Exact_Mass	383.1627620
867425	Tautomer_Count	3
99025	XLogP3-AA	2.9
3003004	XLogP3-AA	3.7
43678	Undefined_Bond_Stereo_Count	1
72004	Defined_Atom_Stereo_Count	4
10219396	Mono_Isotopic_Weight	107.037113783
630355	Covalent_Unit_Count	1
76082	Covalent_Unit_Count	1
83050	TPSA	37.3
11412527	Hydrogen_Bond_Donor_Count	1
18867	TPSA	48.1
145721395	Molecular_Weight	840.3
9561131	Undefined_Atom_Stereo_Count	0
43905	Hydrogen_Bond_Donor_Count	1
101100163	Exact_Mass	235.099714038
18495	Defined_Bond_Stereo_Count	0
127053480	Total_Formal_Charge	0
32446	Undefined_Bond_Stereo_Count	0
6431301	Isotope_Atom_Count	0
23622607	Undefined_Bond_Stereo_Count	0
12318317	Covalent_Unit_Count	1
561	Hydrogen_Bond_Acceptor_Count	7
168556	Non-hydrogen_Atom_Count	11
88314154	Non-hydrogen_Atom_Count	8
14280898	Hydrogen_Bond_Donor_Count	2
97337	Total_Formal_Charge	0
124149361	Hydrogen_Bond_Donor_Count	3
64655	Undefined_Bond_Stereo_Count	0
131110184	Defined_Atom_Stereo_Count	0
92058	Undefined_Bond_Stereo_Count	0
24424	TPSA	88.6
13748	Hydrogen_Bond_Donor_Count	1
10727	Hydrogen_Bond_Donor_Count	0
11385	Total_Formal_Charge	0
15330921	Hydrogen_Bond_Donor_Count	1
69674285	Defined_Atom_Stereo_Count	0
641245	Hydrogen_Bond_Acceptor_Count	0
21608699	Isotope_Atom_Count	0
5329098	Undefined_Atom_Stereo_Count	0
62484	Rotatable_Bond_Count	2
189563	Covalent_Unit_Count	1
117488	Isotope_Atom_Count	0
10286159	Defined_Atom_Stereo_Count	3
12231381	Defined_Atom_Stereo_Count	0
2742181	Hydrogen_Bond_Acceptor_Count	3
12077313	Non-hydrogen_Atom_Count	13
6917728	Isotope_Atom_Count	0
4761	Undefined_Atom_Stereo_Count	1
118733511	Undefined_Bond_Stereo_Count	0
375	Covalent_Unit_Count	1
163050679	Defined_Bond_Stereo_Count	0
22234	Non-hydrogen_Atom_Count	12
5460797	Structure_Complexity	87.8
178795	Undefined_Bond_Stereo_Count	0
25022340	Molecular_Weight	561.7
56841655	Undefined_Atom_Stereo_Count	1
29743	Isotope_Atom_Count	0
651751	Total_Formal_Charge	0
268488	Structure_Complexity	180
13245716	Defined_Bond_Stereo_Count	0
15295	Total_Formal_Charge	0
21659905	Isotope_Atom_Count	0
125353406	Total_Formal_Charge	0
6326996	Covalent_Unit_Count	1
3614	Non-hydrogen_Atom_Count	9
151069	Rotatable_Bond_Count	7
38140	Structure_Complexity	411
70680970	Defined_Atom_Stereo_Count	0
209	Undefined_Atom_Stereo_Count	22
5488548	Hydrogen_Bond_Donor_Count	3
129864960	Mono_Isotopic_Weight	306.11906976
124918412	XLogP3-AA	2.7
21325775	Rotatable_Bond_Count	1
3733	TPSA	154
123801229	Exact_Mass	111.068413911
154983	Defined_Bond_Stereo_Count	0
12725	Isotope_Atom_Count	0
12518095	Mono_Isotopic_Weight	112.052429494
98850	Hydrogen_Bond_Acceptor_Count	5
58242071	Mono_Isotopic_Weight	100.088815002
13584912	Defined_Bond_Stereo_Count	0
60672	Total_Formal_Charge	0
25082538	Isotope_Atom_Count	0
138125	Covalent_Unit_Count	1
53473572	Molecular_Weight	542.4
11829373	Total_Formal_Charge	0
248271	XLogP3-AA	6.9
165331	Molecular_Weight	153.23
45452	Defined_Bond_Stereo_Count	0
133520	Rotatable_Bond_Count	1
40945	Covalent_Unit_Count	1
11843	Undefined_Atom_Stereo_Count	0
8129	TPSA	20.2
22952912	Hydrogen_Bond_Acceptor_Count	2
101576	Mono_Isotopic_Weight	181.089149355
162990681	Hydrogen_Bond_Donor_Count	7
99342	Defined_Atom_Stereo_Count	0
6096946	Defined_Atom_Stereo_Count	0
6441264	Structure_Complexity	1870
72327	Total_Formal_Charge	0
44338989	XLogP3-AA	3.6
87401	Defined_Atom_Stereo_Count	0
656829	Isotope_Atom_Count	0
54324318	Covalent_Unit_Count	1
23622962	Isotope_Atom_Count	0
7824	Rotatable_Bond_Count	5
3856780	Structure_Complexity	417
3456	Total_Formal_Charge	0
20739	Exact_Mass	142.135765193
11170991	Undefined_Atom_Stereo_Count	0
45357563	Exact_Mass	406.21555225
10822264	Undefined_Atom_Stereo_Count	0
6112	Undefined_Bond_Stereo_Count	0
35378	Exact_Mass	347.0924357
7348	Defined_Atom_Stereo_Count	0
5707	Total_Formal_Charge	0
24764	Undefined_Bond_Stereo_Count	0
14708	Hydrogen_Bond_Donor_Count	1
7012	Hydrogen_Bond_Donor_Count	1
51049607	Undefined_Atom_Stereo_Count	0
86673	Mono_Isotopic_Weight	206.09027155
40473182	Structure_Complexity	179
7067359	Isotope_Atom_Count	0
441393	Hydrogen_Bond_Acceptor_Count	14
398559	Isotope_Atom_Count	0
659840	Total_Formal_Charge	0
91688	Defined_Atom_Stereo_Count	0
122361528	XLogP3-AA	4
11846570	Undefined_Bond_Stereo_Count	0
195	Tautomer_Count	3
12104	Total_Formal_Charge	0
15664	Rotatable_Bond_Count	1
22859	Exact_Mass	474.01915776
123664524	Molecular_Weight	114.19
13761353	Defined_Bond_Stereo_Count	0
36647	Undefined_Atom_Stereo_Count	0
16217359	Defined_Atom_Stereo_Count	0
9916998	TPSA	109
9085	Hydrogen_Bond_Donor_Count	4
154209482	Molecular_Weight	97.16
3603	Structure_Complexity	363
129860157	Undefined_Bond_Stereo_Count	0
92763	Undefined_Bond_Stereo_Count	0
62042	Mono_Isotopic_Weight	202.99354792
28610	Rotatable_Bond_Count	7
8428	Covalent_Unit_Count	1
134812477	Non-hydrogen_Atom_Count	46
15493441	Rotatable_Bond_Count	2
6875624	Defined_Atom_Stereo_Count	0
101205708	Rotatable_Bond_Count	62
640759	XLogP3	1.6
102372243	Hydrogen_Bond_Acceptor_Count	3
135391135	Isotope_Atom_Count	0
179832	Undefined_Bond_Stereo_Count	0
12441662	Total_Formal_Charge	0
19241	Undefined_Atom_Stereo_Count	0
111	Exact_Mass	132.05349212
162246	Structure_Complexity	585
5266	Rotatable_Bond_Count	11
12507028	XLogP3-AA	1.4
198707	Rotatable_Bond_Count	4
54080009	Isotope_Atom_Count	0
12248306	Structure_Complexity	101
141445129	Non-hydrogen_Atom_Count	8
565884	Undefined_Bond_Stereo_Count	0
10459820	Non-hydrogen_Atom_Count	38
30921	Exact_Mass	297.1495567
12960	XLogP3-AA	0
22213349	Defined_Atom_Stereo_Count	0
18502	Isotope_Atom_Count	0
69173085	Total_Formal_Charge	0
54033586	Covalent_Unit_Count	1
123351	Structure_Complexity	95.8
49855886	XLogP3-AA	2.3
12514193	Undefined_Bond_Stereo_Count	0
119195	Hydrogen_Bond_Donor_Count	1
58265608	XLogP3-AA	0.8
22901819	Hydrogen_Bond_Acceptor_Count	0
868	Undefined_Bond_Stereo_Count	0
71835	Molecular_Weight	263.12
8421	Isotope_Atom_Count	0
96339	Exact_Mass	166.03784206
10236005	Mono_Isotopic_Weight	129.042593085
5486204	Defined_Bond_Stereo_Count	0
2811264	Covalent_Unit_Count	1
58473795	Total_Formal_Charge	0
17928	Defined_Atom_Stereo_Count	0
17963227	Hydrogen_Bond_Acceptor_Count	5
123556697	Hydrogen_Bond_Acceptor_Count	1
88930515	Molecular_Weight	1202.6
14577084	Total_Formal_Charge	0
60192	Rotatable_Bond_Count	11
53983207	Hydrogen_Bond_Acceptor_Count	1
534132	Rotatable_Bond_Count	0
134497	Structure_Complexity	179
10134976	Undefined_Bond_Stereo_Count	0
9800065	Structure_Complexity	519
13506	Undefined_Bond_Stereo_Count	0
25201603	TPSA	292
58962911	Exact_Mass	463.0636514
16722125	Rotatable_Bond_Count	7
20690188	Undefined_Bond_Stereo_Count	0
77715	Hydrogen_Bond_Donor_Count	0
7232	Molecular_Weight	264.4
4064	Undefined_Bond_Stereo_Count	0
97268	Non-hydrogen_Atom_Count	16
54099616	Defined_Bond_Stereo_Count	0
87329230	Rotatable_Bond_Count	2
7864	Structure_Complexity	10
3038482	Undefined_Bond_Stereo_Count	0
198	Molecular_Weight	589.3
42471	Molecular_Weight	382.0
165646906	Undefined_Atom_Stereo_Count	0
5360807	Rotatable_Bond_Count	13
91805	Exact_Mass	217.090292168
42208	Tautomer_Count	2
9884	XLogP3-AA	1.4
9907847	Molecular_Weight	379.5
101417708	Undefined_Bond_Stereo_Count	0
96568	Hydrogen_Bond_Donor_Count	2
15628	Covalent_Unit_Count	1
5639	Defined_Atom_Stereo_Count	0
2761815	Hydrogen_Bond_Acceptor_Count	3
40807	TPSA	177
8158	Isotope_Atom_Count	0
7774	Covalent_Unit_Count	1
9020	Defined_Bond_Stereo_Count	0
65856	Defined_Atom_Stereo_Count	2
6476006	Structure_Complexity	324
44554	Undefined_Atom_Stereo_Count	3
15496999	Exact_Mass	97.052763847
13037934	Isotope_Atom_Count	0
421876	Isotope_Atom_Count	0
26375	Total_Formal_Charge	0
49800004	Rotatable_Bond_Count	29
135505	Molecular_Weight	243.35
20514195	Exact_Mass	103.063328530
85236	TPSA	38.4
13778	XLogP3-AA	1.4
656665	Undefined_Atom_Stereo_Count	0
6405709	Total_Formal_Charge	0
13856554	XLogP3-AA	0.8
11126230	Defined_Atom_Stereo_Count	0
702015	Structure_Complexity	352
53503	Tautomer_Count	1
23675339	Undefined_Bond_Stereo_Count	0
75505	Mono_Isotopic_Weight	252.10111102
23665647	Exact_Mass	112.02904639
72200674	Undefined_Bond_Stereo_Count	0
73162904	Exact_Mass	326.169686
129688356	Rotatable_Bond_Count	6
10133071	Hydrogen_Bond_Acceptor_Count	6
19474	Isotope_Atom_Count	0
53906657	Undefined_Bond_Stereo_Count	1
8809	Undefined_Bond_Stereo_Count	0
8492	Molecular_Weight	172.57
18608	Total_Formal_Charge	0
14911569	Total_Formal_Charge	0
449698	Structure_Complexity	530
8094	Defined_Atom_Stereo_Count	0
69647192	Mono_Isotopic_Weight	113.047678466
137837	Defined_Atom_Stereo_Count	0
4811	Defined_Bond_Stereo_Count	0
4904	Hydrogen_Bond_Donor_Count	1
102848	Defined_Atom_Stereo_Count	0
87370	Hydrogen_Bond_Acceptor_Count	1
21252133	Non-hydrogen_Atom_Count	8
12830097	Non-hydrogen_Atom_Count	17
16699	Mono_Isotopic_Weight	157.110278721
57607	Defined_Bond_Stereo_Count	0
25457	Hydrogen_Bond_Acceptor_Count	3
5786	Total_Formal_Charge	0
68629	Total_Formal_Charge	0
24973796	Molecular_Weight	99.13
55007	Mono_Isotopic_Weight	304.088815002
59983745	Undefined_Bond_Stereo_Count	0
38306	Rotatable_Bond_Count	1
65975	XLogP3-AA	2
13229	Hydrogen_Bond_Donor_Count	0
5311055	Mono_Isotopic_Weight	364.26269704
12582	Isotope_Atom_Count	0
7093	Defined_Atom_Stereo_Count	0
2724372	Exact_Mass	294.173213330
921599	Total_Formal_Charge	0
5311054	Defined_Bond_Stereo_Count	0
70555429	Hydrogen_Bond_Donor_Count	1
454386	Rotatable_Bond_Count	4
103376402	Mono_Isotopic_Weight	115.063328530
959353	Undefined_Atom_Stereo_Count	0
65302	Structure_Complexity	1110
112499971	Molecular_Weight	674.5
179822	TPSA	60.2
83899	Isotope_Atom_Count	0
71453748	XLogP3-AA	2.1
16135415	Mono_Isotopic_Weight	2637.0983357
846130	Hydrogen_Bond_Donor_Count	2
101755686	Exact_Mass	977.52483213
59531373	Defined_Bond_Stereo_Count	0
1476679	Isotope_Atom_Count	0
17298	Molecular_Weight	219.28
77930	Isotope_Atom_Count	0
18622	Rotatable_Bond_Count	2
57475	Hydrogen_Bond_Donor_Count	2
88255060	Total_Formal_Charge	0
246724	Covalent_Unit_Count	1
88898	Isotope_Atom_Count	0
4650	Exact_Mass	108.021129366
18029	Non-hydrogen_Atom_Count	22
66968937	Undefined_Bond_Stereo_Count	0
9727	Rotatable_Bond_Count	3
12646624	Non-hydrogen_Atom_Count	6
51622	Molecular_Weight	268.27
11508377	Defined_Atom_Stereo_Count	4
1065	Mono_Isotopic_Weight	324.183778013
59154995	Hydrogen_Bond_Donor_Count	0
5481119	Structure_Complexity	845
26758	Rotatable_Bond_Count	4
10130360	Structure_Complexity	193
5880	TPSA	37.3
13462	Tautomer_Count	1
21885122	Rotatable_Bond_Count	4
15436	XLogP3-AA	1.3
413534	Hydrogen_Bond_Donor_Count	0
5491612	Covalent_Unit_Count	1
162639143	Covalent_Unit_Count	1
9895035	Defined_Bond_Stereo_Count	0
130145407	Molecular_Weight	110.15
91985	Molecular_Weight	96.17
9865808	Mono_Isotopic_Weight	401.0212600
135398741	Hydrogen_Bond_Acceptor_Count	7
250457	TPSA	43.4
141959525	Hydrogen_Bond_Donor_Count	1
24232	Mono_Isotopic_Weight	118.099379685
5282182	Rotatable_Bond_Count	15
61346	Molecular_Weight	126.20
73653998	Undefined_Atom_Stereo_Count	1
443970	Mono_Isotopic_Weight	225.151749610
15359	Hydrogen_Bond_Donor_Count	2
3527810	Hydrogen_Bond_Acceptor_Count	2
54060494	Hydrogen_Bond_Donor_Count	1
5324210	Defined_Bond_Stereo_Count	0
16219	Rotatable_Bond_Count	16
13661819	Exact_Mass	98.073164938
44521023	XLogP3-AA	4.6
17457	Tautomer_Count	1
6844	Rotatable_Bond_Count	1
21595393	Hydrogen_Bond_Donor_Count	1
127657	Total_Formal_Charge	0
86067	Mono_Isotopic_Weight	128.156500638
1457	Undefined_Atom_Stereo_Count	3
10234	Defined_Bond_Stereo_Count	0
87280025	XLogP3-AA	0
26923	Molecular_Weight	150.23
85912645	Total_Formal_Charge	0
71273	Defined_Bond_Stereo_Count	0
94242	Hydrogen_Bond_Donor_Count	0
4744464	Isotope_Atom_Count	0
10405997	Covalent_Unit_Count	1
60196352	Defined_Bond_Stereo_Count	0
61661	TPSA	22.4
67711	Covalent_Unit_Count	1
60196286	Molecular_Weight	328.27
9799888	Defined_Atom_Stereo_Count	0
853433	Isotope_Atom_Count	0
105426930	Rotatable_Bond_Count	0
15399127	TPSA	29.5
16211656	Rotatable_Bond_Count	0
12803	Tautomer_Count	1
7243	Structure_Complexity	62.9
123940588	Non-hydrogen_Atom_Count	7
6419	Structure_Complexity	51.6
70700	Undefined_Atom_Stereo_Count	0
42608159	XLogP3-AA	4.5
5284579	Mono_Isotopic_Weight	827.46672049
6433091	Non-hydrogen_Atom_Count	16
59221	Undefined_Bond_Stereo_Count	0
55900	Structure_Complexity	483
40988	Covalent_Unit_Count	1
6629	Total_Formal_Charge	0
46878363	Hydrogen_Bond_Donor_Count	4
11346811	Exact_Mass	290.09364285
67108443	Hydrogen_Bond_Acceptor_Count	3
35489	Mono_Isotopic_Weight	359.010743
222786	XLogP3	1.5
131634493	Rotatable_Bond_Count	48
586675	Hydrogen_Bond_Donor_Count	3
53705537	Molecular_Weight	110.11
66836	TPSA	46.5
53737754	Exact_Mass	118.02660867
3678	Structure_Complexity	214
517637	TPSA	52.6
85989631	Undefined_Bond_Stereo_Count	0
5280445	Molecular_Weight	286.24
12231382	Undefined_Bond_Stereo_Count	0
64948	Tautomer_Count	1
5574	Total_Formal_Charge	0
137347967	Covalent_Unit_Count	1
7465	Exact_Mass	136.088815002
601880	TPSA	63.6
27923	Structure_Complexity	90.6
11957696	Defined_Atom_Stereo_Count	1
69333434	Isotope_Atom_Count	0
24785538	Total_Formal_Charge	0
3877	Hydrogen_Bond_Donor_Count	2
16249	TPSA	52.6
91145327	Hydrogen_Bond_Donor_Count	0
7474	Undefined_Bond_Stereo_Count	0
56625	XLogP3-AA	3.1
12681	Mono_Isotopic_Weight	160.07355886
657181	Defined_Bond_Stereo_Count	0
118210121	Molecular_Weight	112.17
52936034	Hydrogen_Bond_Acceptor_Count	7
6441012	Total_Formal_Charge	0
8757	Structure_Complexity	25.5
54915	Hydrogen_Bond_Acceptor_Count	7
2899204	Undefined_Atom_Stereo_Count	1
2724025	Hydrogen_Bond_Acceptor_Count	2
66968937	Hydrogen_Bond_Acceptor_Count	2
26462	Isotope_Atom_Count	0
98888	Covalent_Unit_Count	1
133371	Covalent_Unit_Count	1
134085	Structure_Complexity	269
57398391	Molecular_Weight	324.4
139593369	TPSA	289
22274936	Hydrogen_Bond_Acceptor_Count	7
60870	Defined_Bond_Stereo_Count	0
21271257	Defined_Atom_Stereo_Count	0
5916968	Rotatable_Bond_Count	13
10327727	Exact_Mass	342.11621151
75406672	Hydrogen_Bond_Acceptor_Count	3
32438	Mono_Isotopic_Weight	124.088815002
91855653	Non-hydrogen_Atom_Count	23
11741	Exact_Mass	248.06194880
96935	Defined_Bond_Stereo_Count	0
142959	Hydrogen_Bond_Acceptor_Count	4
13611196	Molecular_Weight	108.18
6585	Non-hydrogen_Atom_Count	5
12867435	Total_Formal_Charge	0
24813	Defined_Bond_Stereo_Count	0
11658860	Hydrogen_Bond_Acceptor_Count	1
66071945	Covalent_Unit_Count	1
688667	Exact_Mass	282.08920892
117717939	Molecular_Weight	342.30
23574562	TPSA	17.1
66036956	Isotope_Atom_Count	0
67103	Defined_Bond_Stereo_Count	0
479930	Covalent_Unit_Count	1
14343599	Hydrogen_Bond_Donor_Count	0
3045402	Undefined_Atom_Stereo_Count	0
5101	Undefined_Bond_Stereo_Count	0
27368	Defined_Atom_Stereo_Count	0
104755	Undefined_Bond_Stereo_Count	0
24453	Isotope_Atom_Count	0
474265	TPSA	67.7
23686132	Non-hydrogen_Atom_Count	24
45119915	Undefined_Bond_Stereo_Count	0
121494046	Rotatable_Bond_Count	1
439570	Tautomer_Count	5
15690647	Isotope_Atom_Count	0
21501	Exact_Mass	163.038176411
10975460	Non-hydrogen_Atom_Count	8
142106	Structure_Complexity	124
10415542	Hydrogen_Bond_Acceptor_Count	7
91585	Covalent_Unit_Count	1
68135832	Covalent_Unit_Count	1
73707487	Defined_Atom_Stereo_Count	2
88447703	Undefined_Atom_Stereo_Count	0
60167543	Tautomer_Count	1
5151436	Undefined_Atom_Stereo_Count	1
5954	Non-hydrogen_Atom_Count	18
94818	Hydrogen_Bond_Donor_Count	1
16212969	Defined_Bond_Stereo_Count	2
12984095	Undefined_Atom_Stereo_Count	1
57303	Tautomer_Count	2
5357155	Mono_Isotopic_Weight	205.07389321
638026	Non-hydrogen_Atom_Count	23
33728341	Isotope_Atom_Count	0
57392965	Isotope_Atom_Count	0
18002315	Structure_Complexity	113
1570	Defined_Bond_Stereo_Count	0
2724429	Rotatable_Bond_Count	4
92530	Mono_Isotopic_Weight	118.062994177
3017748	Molecular_Weight	191.12
9470	Rotatable_Bond_Count	4
362	Total_Formal_Charge	0
44144429	TPSA	154
521863	Rotatable_Bond_Count	2
6363	Total_Formal_Charge	0
70119	Undefined_Bond_Stereo_Count	0
11735949	Undefined_Atom_Stereo_Count	0
162290	Covalent_Unit_Count	3
20930	Undefined_Bond_Stereo_Count	1
5486209	Exact_Mass	197.095297364
108182	Non-hydrogen_Atom_Count	21
44516953	Non-hydrogen_Atom_Count	45
11858153	Hydrogen_Bond_Donor_Count	3
4136	Structure_Complexity	129
85538	Rotatable_Bond_Count	5
2117	Undefined_Bond_Stereo_Count	0
58660916	Hydrogen_Bond_Donor_Count	0
56052	Undefined_Atom_Stereo_Count	2
121313292	TPSA	9.2
54225123	Defined_Bond_Stereo_Count	0
10295295	Isotope_Atom_Count	0
6918546	XLogP3-AA	0.8
6518168	Isotope_Atom_Count	0
1361	Total_Formal_Charge	0
15054176	Defined_Bond_Stereo_Count	0
73847	Structure_Complexity	163
12931852	Defined_Atom_Stereo_Count	0
219522	Hydrogen_Bond_Donor_Count	0
23497	Mono_Isotopic_Weight	211.08445790
9514	Covalent_Unit_Count	1
98949	TPSA	46.5
89225	Defined_Bond_Stereo_Count	0
12736014	Defined_Atom_Stereo_Count	3
45073433	Non-hydrogen_Atom_Count	43
11564168	Non-hydrogen_Atom_Count	62
6390	Defined_Bond_Stereo_Count	0
2393	Hydrogen_Bond_Donor_Count	10
3034808	TPSA	119
9807572	Covalent_Unit_Count	1
13218140	Total_Formal_Charge	0
601293	Rotatable_Bond_Count	1
5284656	Defined_Atom_Stereo_Count	0
237041	Hydrogen_Bond_Donor_Count	1
60196361	TPSA	16.1
12687	Defined_Bond_Stereo_Count	0
75789	Exact_Mass	186.9591691
58562	Undefined_Bond_Stereo_Count	0
117933223	Hydrogen_Bond_Donor_Count	0
72589	Total_Formal_Charge	0
7812	Covalent_Unit_Count	1
5311053	Exact_Mass	424.1652663
138694	Undefined_Bond_Stereo_Count	0
6436732	Molecular_Weight	240.34
160944	Defined_Bond_Stereo_Count	0
65092	Defined_Atom_Stereo_Count	0
24867454	Covalent_Unit_Count	1
130153178	TPSA	49.8
6918283	TPSA	239
118318030	Hydrogen_Bond_Acceptor_Count	16
87931798	Mono_Isotopic_Weight	115.063328530
25078013	Total_Formal_Charge	0
10061	Non-hydrogen_Atom_Count	28
5280880	Defined_Atom_Stereo_Count	3
6406	Defined_Bond_Stereo_Count	0
77311	Covalent_Unit_Count	2
10634	Undefined_Bond_Stereo_Count	0
2109	Defined_Bond_Stereo_Count	0
89162323	Total_Formal_Charge	0
9812414	TPSA	365
9294	Exact_Mass	165.115364102
9965424	Defined_Bond_Stereo_Count	0
251513	TPSA	26.3
220502	Isotope_Atom_Count	0
13916	Exact_Mass	255.9806328
138474	Mono_Isotopic_Weight	100.03851076
5931	Hydrogen_Bond_Donor_Count	2
5281404	Mono_Isotopic_Weight	182.084398327
128563	Non-hydrogen_Atom_Count	31
40234	Tautomer_Count	1
57229116	Undefined_Bond_Stereo_Count	0
15174929	XLogP3	1.2
23651142	Non-hydrogen_Atom_Count	29
444972	Hydrogen_Bond_Donor_Count	2
23617863	Exact_Mass	210.161979940
295258	Isotope_Atom_Count	0
93092	Molecular_Weight	224.39
57553	Mono_Isotopic_Weight	258.0326684
16719897	Mono_Isotopic_Weight	207.06226
66932	Hydrogen_Bond_Acceptor_Count	4
430996	XLogP3-AA	4.2
657038	Undefined_Atom_Stereo_Count	0
35717	Exact_Mass	221.08993720
59886072	Undefined_Bond_Stereo_Count	0
636523	Isotope_Atom_Count	0
15535737	Non-hydrogen_Atom_Count	8
564457	Defined_Bond_Stereo_Count	0
15375	Structure_Complexity	73.7
13559281	XLogP3-AA	2.9
517957	Tautomer_Count	1
73455777	XLogP3-AA	1.6
13264589	Total_Formal_Charge	0
5352130	Isotope_Atom_Count	0
439577	Hydrogen_Bond_Donor_Count	1
70702100	Isotope_Atom_Count	0
163199229	TPSA	526
6356	Total_Formal_Charge	0
22476544	Undefined_Bond_Stereo_Count	0
67522784	Non-hydrogen_Atom_Count	5
13684981	Hydrogen_Bond_Acceptor_Count	3
5464200	Undefined_Bond_Stereo_Count	0
6276	TPSA	20.2
11765960	Structure_Complexity	1560
139066803	Defined_Atom_Stereo_Count	0
83694167	Molecular_Weight	99.17
16132416	Tautomer_Count	1001
11502249	Mono_Isotopic_Weight	402.12519472
5081	Undefined_Atom_Stereo_Count	0
13507024	Tautomer_Count	23
7335	Exact_Mass	194.130679813
23651142	Rotatable_Bond_Count	5
51029782	Hydrogen_Bond_Donor_Count	0
133679779	Non-hydrogen_Atom_Count	8
16312	Isotope_Atom_Count	0
11868	Undefined_Bond_Stereo_Count	0
10430619	Undefined_Bond_Stereo_Count	0
55416	XLogP3-AA	3.2
4163	Covalent_Unit_Count	1
49217	Rotatable_Bond_Count	6
264852	XLogP3-AA	5.4
71107	Exact_Mass	426.12494298
7000	Isotope_Atom_Count	0
54345713	Mono_Isotopic_Weight	100.052429494
6538991	Hydrogen_Bond_Acceptor_Count	7
62479	Defined_Bond_Stereo_Count	0
117569443	Rotatable_Bond_Count	3
2060890	Molecular_Weight	342.8
5281616	Rotatable_Bond_Count	1
5368396	XLogP3-AA	11
53757199	Molecular_Weight	100.12
3705	Defined_Bond_Stereo_Count	0
160550	TPSA	75.8
449107	Covalent_Unit_Count	1
89033918	Exact_Mass	108.032362755
70687331	XLogP3-AA	3.6
12229396	Isotope_Atom_Count	0
8425	XLogP3	4
208925	Hydrogen_Bond_Donor_Count	1
142773668	Rotatable_Bond_Count	0
4618	Structure_Complexity	201
662400	Non-hydrogen_Atom_Count	27
5790	Undefined_Atom_Stereo_Count	0
20590622	Isotope_Atom_Count	0
13044596	Non-hydrogen_Atom_Count	8
29637	Non-hydrogen_Atom_Count	13
9831417	Defined_Atom_Stereo_Count	2
4778	Exact_Mass	167.955634
90977886	Molecular_Weight	110.20
46936572	Undefined_Atom_Stereo_Count	0
17360	Exact_Mass	451.13721
20147457	Undefined_Bond_Stereo_Count	0
154536664	Hydrogen_Bond_Acceptor_Count	1
12456033	Undefined_Atom_Stereo_Count	0
20006	Covalent_Unit_Count	1
71403949	Undefined_Atom_Stereo_Count	0
71697	Rotatable_Bond_Count	5
11992	Molecular_Weight	172.02
58044734	Covalent_Unit_Count	1
274216	Rotatable_Bond_Count	4
1551246	Defined_Bond_Stereo_Count	1
285725	Defined_Atom_Stereo_Count	0
2303651	XLogP3-AA	0.5
6419915	Exact_Mass	676.2529511
21333560	Molecular_Weight	99.13
4340561	Non-hydrogen_Atom_Count	7
127909	Defined_Bond_Stereo_Count	0
1016	Hydrogen_Bond_Acceptor_Count	7
5752	Structure_Complexity	214
22584	Total_Formal_Charge	0
9989239	TPSA	58.2
94865124	Structure_Complexity	756
40460	Undefined_Bond_Stereo_Count	0
15561185	Rotatable_Bond_Count	15
24808	Defined_Atom_Stereo_Count	0
69333963	Hydrogen_Bond_Acceptor_Count	2
440623	Molecular_Weight	286.4
6277	Isotope_Atom_Count	0
12199010	Defined_Bond_Stereo_Count	0
25094903	Hydrogen_Bond_Donor_Count	3
624748	Defined_Atom_Stereo_Count	0
24860548	Hydrogen_Bond_Donor_Count	3
121763	Defined_Bond_Stereo_Count	0
12899069	Hydrogen_Bond_Acceptor_Count	6
5371560	TPSA	65.1
54071	Tautomer_Count	2
4828	Hydrogen_Bond_Donor_Count	3
12425338	Undefined_Bond_Stereo_Count	0
14074	Hydrogen_Bond_Donor_Count	1
92258	Defined_Bond_Stereo_Count	0
4743	Undefined_Atom_Stereo_Count	7
64036	XLogP3	2
18771155	Mono_Isotopic_Weight	267.96502453
112412	Defined_Atom_Stereo_Count	0
895952	Non-hydrogen_Atom_Count	19
3453	Defined_Atom_Stereo_Count	0
159809	Isotope_Atom_Count	0
3023	Molecular_Weight	184.26
133687604	Defined_Bond_Stereo_Count	0
46	Structure_Complexity	307
64236	XLogP3-AA	1.8
154444799	Defined_Atom_Stereo_Count	0
439739	Non-hydrogen_Atom_Count	25
4668	Non-hydrogen_Atom_Count	18
6436055	Covalent_Unit_Count	1
62382	Non-hydrogen_Atom_Count	13
4264	Hydrogen_Bond_Donor_Count	4
74470	TPSA	55.8
12769	Defined_Atom_Stereo_Count	0
21866502	Undefined_Bond_Stereo_Count	0
22574	Structure_Complexity	347
6432494	Non-hydrogen_Atom_Count	22
54144903	Molecular_Weight	101.15
87149	Hydrogen_Bond_Acceptor_Count	15
83444	Molecular_Weight	242.39
233916	Covalent_Unit_Count	1
2396	Exact_Mass	412.18992602
130025113	Rotatable_Bond_Count	0
21703573	Defined_Atom_Stereo_Count	0
15411	Isotope_Atom_Count	0
49865355	Defined_Bond_Stereo_Count	0
11408688	Hydrogen_Bond_Acceptor_Count	5
2336530	Defined_Atom_Stereo_Count	0
8344	Exact_Mass	282.11033829
154522874	Exact_Mass	98.084398327
24946799	Molecular_Weight	405.6
5240	Undefined_Atom_Stereo_Count	0
755071	TPSA	41.9
9396	TPSA	44.8
84313	XLogP3-AA	0.5
62425	Mono_Isotopic_Weight	282.0204996
101597	Rotatable_Bond_Count	5
5315455	Hydrogen_Bond_Acceptor_Count	7
11422859	Isotope_Atom_Count	0
61186	Rotatable_Bond_Count	3
580057	Defined_Atom_Stereo_Count	0
46078	Structure_Complexity	186
133635911	Rotatable_Bond_Count	13
5167	Exact_Mass	412.21105539
76079	Structure_Complexity	128
44719848	Hydrogen_Bond_Acceptor_Count	1
43558819	Structure_Complexity	122
14528849	XLogP3-AA	1
4984721	Rotatable_Bond_Count	0
129009859	TPSA	145
55280130	Rotatable_Bond_Count	0
45139106	Undefined_Bond_Stereo_Count	0
151446	Defined_Atom_Stereo_Count	4
165676	Molecular_Weight	944.1
44719499	Rotatable_Bond_Count	4
5503	Defined_Bond_Stereo_Count	0
24414	Undefined_Atom_Stereo_Count	0
1201386	Rotatable_Bond_Count	0
24798	Hydrogen_Bond_Donor_Count	0
2543	Total_Formal_Charge	0
519	Molecular_Weight	258.12
123143	Undefined_Bond_Stereo_Count	0
118797420	Undefined_Bond_Stereo_Count	0
2733294	Hydrogen_Bond_Acceptor_Count	2
10336591	Covalent_Unit_Count	1
87504	Defined_Atom_Stereo_Count	1
115235	Covalent_Unit_Count	2
5446	Tautomer_Count	2
103453154	Mono_Isotopic_Weight	112.052429494
54394679	Defined_Atom_Stereo_Count	0
6553885	Undefined_Atom_Stereo_Count	0
13253262	Undefined_Bond_Stereo_Count	0
55212037	Undefined_Bond_Stereo_Count	0
75317	Molecular_Weight	122.17
39174	Defined_Atom_Stereo_Count	0
66357	Structure_Complexity	217
230995	Defined_Bond_Stereo_Count	0
46193082	Total_Formal_Charge	0
16750094	Structure_Complexity	543
127909	XLogP3	2.8
520455	Defined_Atom_Stereo_Count	0
21534	Non-hydrogen_Atom_Count	6
20705517	Covalent_Unit_Count	1
135738852	Total_Formal_Charge	0
98681	Mono_Isotopic_Weight	131.058243149
18431843	Hydrogen_Bond_Donor_Count	0
8298	Defined_Atom_Stereo_Count	0
129760051	Rotatable_Bond_Count	40
7380	Rotatable_Bond_Count	1
51001299	Defined_Atom_Stereo_Count	0
15074	Molecular_Weight	122.12
6321413	Rotatable_Bond_Count	7
86278355	Rotatable_Bond_Count	31
5447130	Hydrogen_Bond_Acceptor_Count	5
9547890	Molecular_Weight	289.38
114911	Total_Formal_Charge	0
2750	TPSA	80.7
49863420	Exact_Mass	667.18292334
9803119	Covalent_Unit_Count	1
126992483	Covalent_Unit_Count	1
3037032	Tautomer_Count	1
522390	Structure_Complexity	34.8
163090691	Mono_Isotopic_Weight	842.51400504
3061720	Tautomer_Count	3
154544	Non-hydrogen_Atom_Count	17
91783	Undefined_Atom_Stereo_Count	0
3246	Hydrogen_Bond_Acceptor_Count	2
1057	Exact_Mass	126.031694049
84041	Isotope_Atom_Count	0
24949398	Hydrogen_Bond_Donor_Count	3
11744314	XLogP3-AA	2.8
688378	Isotope_Atom_Count	0
224244	Rotatable_Bond_Count	0
8437	Covalent_Unit_Count	1
6137	Non-hydrogen_Atom_Count	9
101630689	Rotatable_Bond_Count	6
69089	Covalent_Unit_Count	1
161259	Rotatable_Bond_Count	3
16015	Structure_Complexity	724
654	Tautomer_Count	1
137427383	Exact_Mass	342.11621151
33672	Covalent_Unit_Count	1
213046	XLogP3-AA	5.4
5353831	Hydrogen_Bond_Donor_Count	2
20560	Tautomer_Count	2
18819	Tautomer_Count	1
26361	Total_Formal_Charge	0
9964	XLogP3	2.4
522065	Undefined_Atom_Stereo_Count	2
13974331	Undefined_Bond_Stereo_Count	0
826870	TPSA	20.3
83656	Defined_Atom_Stereo_Count	0
22379	Defined_Bond_Stereo_Count	0
28061	Undefined_Bond_Stereo_Count	0
83287	Undefined_Bond_Stereo_Count	0
8706	XLogP3	1.9
5342002	Hydrogen_Bond_Donor_Count	0
9432	Isotope_Atom_Count	0
80507	Defined_Atom_Stereo_Count	0
25271790	XLogP3	0.7
1111	Hydrogen_Bond_Donor_Count	10
5354284	Mono_Isotopic_Weight	192.04225873
16700308	Exact_Mass	161.9745012
2755260	Undefined_Bond_Stereo_Count	0
3661	Exact_Mass	289.16779360
9248	Mono_Isotopic_Weight	182.167065321
110785	Hydrogen_Bond_Acceptor_Count	2
2042	Hydrogen_Bond_Donor_Count	2
74777	Hydrogen_Bond_Acceptor_Count	4
376	Covalent_Unit_Count	1
78362	Mono_Isotopic_Weight	158.011627311
93095	Hydrogen_Bond_Donor_Count	0
49857859	Undefined_Atom_Stereo_Count	0
9245	Total_Formal_Charge	0
3000241	Structure_Complexity	222
513955	Defined_Bond_Stereo_Count	0
56963011	Mono_Isotopic_Weight	608.18345
12496412	Hydrogen_Bond_Donor_Count	0
430914	Defined_Bond_Stereo_Count	0
16219744	Mono_Isotopic_Weight	252.0165308
136355	TPSA	3.2
13438401	Hydrogen_Bond_Donor_Count	0
87468088	Defined_Atom_Stereo_Count	0
5281525	Hydrogen_Bond_Acceptor_Count	1
54586637	Covalent_Unit_Count	1
22049997	Defined_Atom_Stereo_Count	0
5271566	Covalent_Unit_Count	1
88914	Covalent_Unit_Count	1
71880	XLogP3-AA	2.6
21537113	TPSA	74.6
3664740	Molecular_Weight	327.3
444863	Tautomer_Count	1
15311935	TPSA	76.5
642799	Mono_Isotopic_Weight	170.96836
44260118	Covalent_Unit_Count	1
5257909	Exact_Mass	252.922602
73946427	Rotatable_Bond_Count	6
12413939	Undefined_Bond_Stereo_Count	0
135052535	Undefined_Bond_Stereo_Count	0
453915	Hydrogen_Bond_Donor_Count	0
43231	Defined_Bond_Stereo_Count	0
43234	Covalent_Unit_Count	1
193	Exact_Mass	384.12158893
25101755	Structure_Complexity	705
74031	Non-hydrogen_Atom_Count	12
9998128	Exact_Mass	352.14364454
54581775	Hydrogen_Bond_Donor_Count	1
13519	Undefined_Bond_Stereo_Count	0
3788074	Exact_Mass	434.02424314
71733	Mono_Isotopic_Weight	261.172878976
30720	Structure_Complexity	228
71517699	Undefined_Atom_Stereo_Count	0
21083976	Exact_Mass	120.043596145
25203400	Mono_Isotopic_Weight	136.112624451
135565472	Structure_Complexity	1050
24654	Exact_Mass	50.048012819
12546243	Rotatable_Bond_Count	0
1368742	Total_Formal_Charge	0
15707	Non-hydrogen_Atom_Count	7
4328	Hydrogen_Bond_Acceptor_Count	4
44455116	Non-hydrogen_Atom_Count	26
88766	Hydrogen_Bond_Acceptor_Count	3
447021	Defined_Bond_Stereo_Count	0
80196	Rotatable_Bond_Count	0
179338	Molecular_Weight	512.1
10026007	Total_Formal_Charge	0
129671450	Covalent_Unit_Count	1
58064	Defined_Atom_Stereo_Count	0
45437	Non-hydrogen_Atom_Count	17
73357703	Defined_Bond_Stereo_Count	0
59295958	Rotatable_Bond_Count	7
89930457	Undefined_Bond_Stereo_Count	0
118946372	Structure_Complexity	1000
11040399	Covalent_Unit_Count	1
142464198	Defined_Bond_Stereo_Count	0
54686183	Non-hydrogen_Atom_Count	70
2798315	Undefined_Atom_Stereo_Count	0
12343986	Covalent_Unit_Count	1
6433415	Defined_Bond_Stereo_Count	1
9919265	Undefined_Atom_Stereo_Count	0
18356755	Defined_Atom_Stereo_Count	0
13347991	Non-hydrogen_Atom_Count	8
178080	Structure_Complexity	545
32924	Molecular_Weight	196.25
1368742	XLogP3-AA	5.6
14523627	Non-hydrogen_Atom_Count	28
6427044	Hydrogen_Bond_Acceptor_Count	18
19068741	Defined_Atom_Stereo_Count	0
21954	Structure_Complexity	143
57394598	Structure_Complexity	705
15627868	Structure_Complexity	369
10599	Structure_Complexity	364
3156	Tautomer_Count	1
657251	Hydrogen_Bond_Acceptor_Count	7
10558	Undefined_Atom_Stereo_Count	0
101731271	Defined_Bond_Stereo_Count	0
22256270	Isotope_Atom_Count	0
9264	Exact_Mass	137.96316371
5469424	Covalent_Unit_Count	1
13359	Undefined_Bond_Stereo_Count	0
11251803	Hydrogen_Bond_Acceptor_Count	14
3034255	Molecular_Weight	184.18
137994	Non-hydrogen_Atom_Count	12
6918092	Mono_Isotopic_Weight	668.15062196
139852	Defined_Atom_Stereo_Count	0
208951	Structure_Complexity	556
12205	Mono_Isotopic_Weight	180.0221037
115171944	Covalent_Unit_Count	1
682529	Undefined_Bond_Stereo_Count	0
4672596	Undefined_Atom_Stereo_Count	0
100413	Total_Formal_Charge	0
73951506	Defined_Atom_Stereo_Count	1
3001376	Exact_Mass	562.21444394
656867	Hydrogen_Bond_Donor_Count	2
60490	Exact_Mass	236.06194880
23247721	XLogP3-AA	2.7
56654130	XLogP3-AA	4.8
107656	Total_Formal_Charge	0
4423	Total_Formal_Charge	0
89356917	Defined_Bond_Stereo_Count	5
14714336	Hydrogen_Bond_Acceptor_Count	1
5799	Molecular_Weight	204.23
134826475	Isotope_Atom_Count	0
9794197	Mono_Isotopic_Weight	197.0818711
39784	Covalent_Unit_Count	2
39164	Structure_Complexity	337
5565	Defined_Atom_Stereo_Count	0
58265153	Covalent_Unit_Count	1
101297691	Defined_Bond_Stereo_Count	0
62582	Rotatable_Bond_Count	14
14120450	XLogP3-AA	2.5
7263	Mono_Isotopic_Weight	142.0297759
5319249	Undefined_Bond_Stereo_Count	0
6443	XLogP3-AA	1.2
1549018	Hydrogen_Bond_Acceptor_Count	1
90459541	Exact_Mass	109.052763847
9952	TPSA	29.5
154000	XLogP3-AA	4
80554	Hydrogen_Bond_Acceptor_Count	2
21709689	Molecular_Weight	304.12
138921	Defined_Atom_Stereo_Count	0
44571098	Molecular_Weight	462.9
5496862	XLogP3-AA	2.7
6426739	Mono_Isotopic_Weight	349.08581782
3083868	Tautomer_Count	1
131204	Rotatable_Bond_Count	6
12015095	Isotope_Atom_Count	0
27112	TPSA	89.7
185914	Hydrogen_Bond_Donor_Count	3
16197724	Undefined_Bond_Stereo_Count	0
5463858	Hydrogen_Bond_Acceptor_Count	5
505	Hydrogen_Bond_Acceptor_Count	11
4871	Defined_Atom_Stereo_Count	0
11067463	Structure_Complexity	421
19594968	Molecular_Weight	72.11
5372720	Structure_Complexity	333
11126210	Total_Formal_Charge	0
53748491	Exact_Mass	342.11621151
83795	Isotope_Atom_Count	0
24360	Mono_Isotopic_Weight	348.11100700
23672955	Undefined_Bond_Stereo_Count	0
19816872	Hydrogen_Bond_Donor_Count	2
119093923	Rotatable_Bond_Count	1
14359030	Hydrogen_Bond_Donor_Count	0
21576696	Total_Formal_Charge	1
87480477	Rotatable_Bond_Count	3
55296078	Undefined_Atom_Stereo_Count	0
10799	Hydrogen_Bond_Acceptor_Count	6
5282546	XLogP3-AA	4.9
10687	Covalent_Unit_Count	1
155970341	Structure_Complexity	1680
91589	Molecular_Weight	204.65
9828138	Covalent_Unit_Count	1
14646171	Structure_Complexity	85.4
4357	Non-hydrogen_Atom_Count	17
163317	Defined_Bond_Stereo_Count	0
70688569	Mono_Isotopic_Weight	385.16510826
64648	Rotatable_Bond_Count	6
91746591	Rotatable_Bond_Count	5
54236977	Undefined_Atom_Stereo_Count	2
3579812	Defined_Bond_Stereo_Count	0
61111	Exact_Mass	201.9375462
146158693	Isotope_Atom_Count	3
68066	Covalent_Unit_Count	1
18730080	TPSA	0
4047	Total_Formal_Charge	0
447466	Isotope_Atom_Count	0
102004571	Total_Formal_Charge	0
59440	Defined_Atom_Stereo_Count	0
85864685	Undefined_Bond_Stereo_Count	0
71337442	Defined_Bond_Stereo_Count	0
265	Molecular_Weight	837.6
45807	Rotatable_Bond_Count	10
74229	Defined_Bond_Stereo_Count	0
25211988	XLogP3-AA	2
70590037	Mono_Isotopic_Weight	615.0674339
53708958	Exact_Mass	114.068079557
56987624	Molecular_Weight	110.11
122163231	Undefined_Bond_Stereo_Count	0
635186	Undefined_Bond_Stereo_Count	0
64	Hydrogen_Bond_Donor_Count	2
99411	Total_Formal_Charge	0
442972	Defined_Atom_Stereo_Count	10
12304109	Defined_Bond_Stereo_Count	2
6992084	Hydrogen_Bond_Acceptor_Count	6
20589301	Molecular_Weight	96.13
16620	Structure_Complexity	80.5
31721	Total_Formal_Charge	0
45857	Rotatable_Bond_Count	3
5606	Undefined_Atom_Stereo_Count	1
5459847	Defined_Atom_Stereo_Count	0
90829771	Non-hydrogen_Atom_Count	7
584667	Non-hydrogen_Atom_Count	20
27903	TPSA	159
20141875	Non-hydrogen_Atom_Count	7
102058611	XLogP3	2.7
17754111	Undefined_Bond_Stereo_Count	0
14445624	Undefined_Bond_Stereo_Count	0
72614909	Defined_Atom_Stereo_Count	0
3325	TPSA	238
59050126	Hydrogen_Bond_Acceptor_Count	2
118984355	Undefined_Bond_Stereo_Count	0
5463081	Covalent_Unit_Count	1
45358180	Mono_Isotopic_Weight	882.34445505
12698	XLogP3-AA	0.1
73348284	Covalent_Unit_Count	1
213053	Total_Formal_Charge	0
71798	Hydrogen_Bond_Donor_Count	1
4107	Non-hydrogen_Atom_Count	17
6436135	Defined_Bond_Stereo_Count	1
121596006	Structure_Complexity	1220
73759751	Non-hydrogen_Atom_Count	58
592915	Isotope_Atom_Count	0
23207406	XLogP3	2.2
6437801	Structure_Complexity	136
60904070	XLogP3-AA	1.2
11148	Isotope_Atom_Count	0
11712071	Non-hydrogen_Atom_Count	32
82593534	TPSA	32.3
888457	Hydrogen_Bond_Donor_Count	1
11309477	Defined_Atom_Stereo_Count	0
2762887	Defined_Bond_Stereo_Count	0
135439051	Rotatable_Bond_Count	12
66342	XLogP3-AA	3.6
123827359	Undefined_Atom_Stereo_Count	1
11543095	Hydrogen_Bond_Donor_Count	0
13487610	Defined_Atom_Stereo_Count	0
8439	Exact_Mass	162.068079557
10193406	Undefined_Atom_Stereo_Count	0
8159	Isotope_Atom_Count	0
35726	Undefined_Atom_Stereo_Count	0
57750364	XLogP3-AA	1.3
89374436	Hydrogen_Bond_Acceptor_Count	2
17818	Isotope_Atom_Count	0
38298	Exact_Mass	278.141913202
24901210	Isotope_Atom_Count	0
40945	Hydrogen_Bond_Donor_Count	0
66124	Rotatable_Bond_Count	3
13226738	Exact_Mass	110.073164938
5326161	Total_Formal_Charge	0
44160	Undefined_Bond_Stereo_Count	0
12367843	Exact_Mass	108.093900383
23430	Defined_Atom_Stereo_Count	0
29732	Undefined_Atom_Stereo_Count	0
140765	Non-hydrogen_Atom_Count	6
3045414	Tautomer_Count	3
12358320	Hydrogen_Bond_Donor_Count	4
133121364	Undefined_Atom_Stereo_Count	3
6321340	Undefined_Atom_Stereo_Count	0
136115428	Defined_Bond_Stereo_Count	0
31193	Hydrogen_Bond_Donor_Count	0
111727	Structure_Complexity	183
135411	Undefined_Atom_Stereo_Count	0
153812233	Defined_Bond_Stereo_Count	0
44097	Covalent_Unit_Count	1
541087	XLogP3-AA	2.3
14528849	Undefined_Bond_Stereo_Count	0
20838085	Hydrogen_Bond_Donor_Count	3
80510	Undefined_Bond_Stereo_Count	0
56842208	Hydrogen_Bond_Acceptor_Count	4
89453139	Molecular_Weight	110.11
104234	Non-hydrogen_Atom_Count	21
17750123	Non-hydrogen_Atom_Count	18
131700865	Hydrogen_Bond_Donor_Count	2
13425650	Undefined_Bond_Stereo_Count	0
5329055	Total_Formal_Charge	0
524653	Undefined_Atom_Stereo_Count	2
71545	Covalent_Unit_Count	1
11692123	Exact_Mass	520.15805463
22037858	Defined_Bond_Stereo_Count	0
3018598	Hydrogen_Bond_Acceptor_Count	6
4872633	Undefined_Bond_Stereo_Count	0
5310966	Mono_Isotopic_Weight	211.110947427
71309208	Covalent_Unit_Count	1
638026	TPSA	29.5
10872638	XLogP3-AA	0.8
59503411	TPSA	110
15475283	Hydrogen_Bond_Acceptor_Count	1
57735	Mono_Isotopic_Weight	294.19434270
16886	Tautomer_Count	3
23663954	TPSA	66.2
6435360	Undefined_Atom_Stereo_Count	1
13757192	Non-hydrogen_Atom_Count	8
18336916	Exact_Mass	97.089149355
1382059	Covalent_Unit_Count	1
4418415	Rotatable_Bond_Count	2
3082393	Structure_Complexity	1250
2214	Hydrogen_Bond_Donor_Count	1
598	TPSA	63.8
536431	Mono_Isotopic_Weight	116.083729621
7494	Molecular_Weight	167.16
23757	Molecular_Weight	385.4
441477	Molecular_Weight	179.17
18736304	Hydrogen_Bond_Acceptor_Count	0
6977166	Undefined_Bond_Stereo_Count	0
54511620	Mono_Isotopic_Weight	98.073164938
20385080	Non-hydrogen_Atom_Count	8
237873	Covalent_Unit_Count	3
644160	Total_Formal_Charge	0
54536507	Hydrogen_Bond_Acceptor_Count	4
51399572	TPSA	149
36959	Defined_Atom_Stereo_Count	0
44563146	Undefined_Bond_Stereo_Count	0
28615	Structure_Complexity	292
9275	Total_Formal_Charge	0
601791	XLogP3	4.8
14496	Exact_Mass	70.041864811
1437837	Rotatable_Bond_Count	3
63181514	Defined_Bond_Stereo_Count	0
350	Non-hydrogen_Atom_Count	21
22141508	Rotatable_Bond_Count	2
60154331	Undefined_Atom_Stereo_Count	0
10290754	Molecular_Weight	102.14
70400	Molecular_Weight	242.1
60196333	Tautomer_Count	1
586156	Molecular_Weight	137.14
2618	Mono_Isotopic_Weight	454.03001448
21080	Rotatable_Bond_Count	4
695364	Mono_Isotopic_Weight	307.0546109
16220172	Undefined_Atom_Stereo_Count	0
159169	Isotope_Atom_Count	0
77077	Exact_Mass	176.0912417
1893	Total_Formal_Charge	0
12613538	Mono_Isotopic_Weight	177.090211983
6477971	XLogP3-AA	4.1
12984	Non-hydrogen_Atom_Count	7
450268	Hydrogen_Bond_Acceptor_Count	4
484128	Molecular_Weight	1291.7
11686903	Covalent_Unit_Count	1
62238	Exact_Mass	512.55323154
3250	Exact_Mass	325.17902698
57397761	Undefined_Atom_Stereo_Count	0
26890	Non-hydrogen_Atom_Count	17
6364548	Total_Formal_Charge	0
87653	Defined_Atom_Stereo_Count	0
163925	Rotatable_Bond_Count	6
5365811	Defined_Atom_Stereo_Count	0
11492951	TPSA	89.9
20393266	TPSA	24.6
3174	Hydrogen_Bond_Acceptor_Count	4
57642301	Undefined_Atom_Stereo_Count	2
98703	TPSA	41.1
126843179	Defined_Bond_Stereo_Count	2
7837	Hydrogen_Bond_Acceptor_Count	3
23083539	Molecular_Weight	118.17
135398671	Defined_Bond_Stereo_Count	1
830713	Defined_Bond_Stereo_Count	0
7413	XLogP3-AA	1.9
201618	Undefined_Atom_Stereo_Count	0
53814234	Defined_Bond_Stereo_Count	0
11597868	Undefined_Bond_Stereo_Count	0
72200930	Non-hydrogen_Atom_Count	32
2086	Hydrogen_Bond_Acceptor_Count	4
12561	Covalent_Unit_Count	1
15016080	Undefined_Bond_Stereo_Count	0
12508258	Undefined_Atom_Stereo_Count	1
76241	Total_Formal_Charge	0
24469	Undefined_Atom_Stereo_Count	1
5458589	Non-hydrogen_Atom_Count	30
413538	Defined_Bond_Stereo_Count	0
238053	TPSA	75.2
666418	XLogP3-AA	1.5
566069	XLogP3-AA	2.2
21326601	Covalent_Unit_Count	1
14453670	Rotatable_Bond_Count	1
16051918	Undefined_Atom_Stereo_Count	0
57396953	XLogP3-AA	4.4
130918	Molecular_Weight	369.5
70693548	Non-hydrogen_Atom_Count	170
127601	Non-hydrogen_Atom_Count	28
11779786	Covalent_Unit_Count	1
59035	Total_Formal_Charge	0
6323491	Hydrogen_Bond_Acceptor_Count	6
5364919	Hydrogen_Bond_Acceptor_Count	1
12285870	Hydrogen_Bond_Donor_Count	5
981	Total_Formal_Charge	0
19851301	Total_Formal_Charge	0
8254	Exact_Mass	46.041864811
925690	Mono_Isotopic_Weight	339.15829154
3167	Undefined_Bond_Stereo_Count	0
74320	Undefined_Atom_Stereo_Count	0
13214	Tautomer_Count	1
115116	Defined_Atom_Stereo_Count	5
6918572	Hydrogen_Bond_Acceptor_Count	4
19951	Total_Formal_Charge	0
338733	Covalent_Unit_Count	1
16021	Isotope_Atom_Count	0
136875	Tautomer_Count	1
31251	Hydrogen_Bond_Donor_Count	0
23663982	Hydrogen_Bond_Acceptor_Count	5
719704	Defined_Atom_Stereo_Count	2
135430945	Rotatable_Bond_Count	9
16129617	Defined_Atom_Stereo_Count	21
5353758	Defined_Atom_Stereo_Count	0
11285	Rotatable_Bond_Count	1
71460731	Rotatable_Bond_Count	5
51668574	Hydrogen_Bond_Donor_Count	3
88482362	Hydrogen_Bond_Donor_Count	0
6426849	Non-hydrogen_Atom_Count	22
45358158	TPSA	171
28892	Structure_Complexity	286
1702	Undefined_Atom_Stereo_Count	0
21467	Covalent_Unit_Count	2
71584285	XLogP3-AA	2
123630	Total_Formal_Charge	0
130659	Undefined_Atom_Stereo_Count	0
4552223	Undefined_Bond_Stereo_Count	0
74839	Structure_Complexity	234
182362	Total_Formal_Charge	0
9873570	XLogP3-AA	3.7
3049771	Hydrogen_Bond_Acceptor_Count	4
19933114	Undefined_Atom_Stereo_Count	2
36438	TPSA	26.8
14743344	Total_Formal_Charge	0
101675604	Mono_Isotopic_Weight	663.36079323
24961094	Defined_Atom_Stereo_Count	0
14236	Covalent_Unit_Count	1
159190124	Exact_Mass	1201.84136802
108835	Tautomer_Count	2
3792939	Exact_Mass	101.904340
136796	Hydrogen_Bond_Acceptor_Count	0
54710212	Total_Formal_Charge	0
162531	Hydrogen_Bond_Donor_Count	0
6779	XLogP3	5.3
93193	Defined_Bond_Stereo_Count	0
85786508	Molecular_Weight	112.17
33938	Mono_Isotopic_Weight	212.120115130
85328	Defined_Bond_Stereo_Count	0
139588352	TPSA	551
93548	Defined_Bond_Stereo_Count	0
11505008	Undefined_Atom_Stereo_Count	0
18677538	Isotope_Atom_Count	0
56841558	Rotatable_Bond_Count	18
67314475	Defined_Atom_Stereo_Count	0
50897	Hydrogen_Bond_Donor_Count	0
7618	Covalent_Unit_Count	1
5284527	Defined_Atom_Stereo_Count	3
15765	Defined_Atom_Stereo_Count	0
468	Exact_Mass	586.31882799
445344	Isotope_Atom_Count	0
8430	Hydrogen_Bond_Donor_Count	2
6452481	Isotope_Atom_Count	0
134688323	Hydrogen_Bond_Acceptor_Count	5
6604087	Hydrogen_Bond_Acceptor_Count	9
721938	Undefined_Bond_Stereo_Count	0
90127780	TPSA	9.2
54350955	Undefined_Bond_Stereo_Count	0
12383043	Isotope_Atom_Count	0
25154714	TPSA	175
9902908	Molecular_Weight	348.4
8743	Mono_Isotopic_Weight	183.01677226
1046	Rotatable_Bond_Count	1
60060441	Total_Formal_Charge	0
2753113	Rotatable_Bond_Count	1
85821	Mono_Isotopic_Weight	296.225248902
162344865	Mono_Isotopic_Weight	532.21105539
4306558	Hydrogen_Bond_Acceptor_Count	7
314787	Hydrogen_Bond_Donor_Count	0
131125742	Molecular_Weight	95.14
8005	Undefined_Bond_Stereo_Count	0
77456	Rotatable_Bond_Count	0
260913	Non-hydrogen_Atom_Count	8
53737519	Total_Formal_Charge	0
3559	Total_Formal_Charge	0
989	TPSA	46.5
54556623	Hydrogen_Bond_Donor_Count	2
123346247	Defined_Atom_Stereo_Count	0
31352	Structure_Complexity	153
102533943	Isotope_Atom_Count	0
9934032	Non-hydrogen_Atom_Count	32
192807	Hydrogen_Bond_Donor_Count	2
20061	Undefined_Bond_Stereo_Count	0
15570	XLogP3	0.5
10844548	Structure_Complexity	77.7
7955	Mono_Isotopic_Weight	126.06539422
6442	Defined_Atom_Stereo_Count	0
10531	Covalent_Unit_Count	1
63412	Molecular_Weight	415.9
5288101	Covalent_Unit_Count	1
164675904	Hydrogen_Bond_Acceptor_Count	2
49849621	Defined_Bond_Stereo_Count	1
62881	Undefined_Bond_Stereo_Count	0
7785	Hydrogen_Bond_Donor_Count	0
443387	Non-hydrogen_Atom_Count	27
19089031	Structure_Complexity	41.4
44241743	Structure_Complexity	799
67643801	Structure_Complexity	84.2
136586	TPSA	18.5
15639205	Tautomer_Count	1
71453618	Non-hydrogen_Atom_Count	28
76900	Total_Formal_Charge	0
21932619	Hydrogen_Bond_Acceptor_Count	10
81641	Hydrogen_Bond_Donor_Count	2
89144	Structure_Complexity	216
75195	XLogP3-AA	6.4
13327310	TPSA	29.5
79571	Rotatable_Bond_Count	5
30185	Defined_Bond_Stereo_Count	0
31275	Exact_Mass	88.052429494
543885	Structure_Complexity	66.4
112230	Structure_Complexity	342
11116013	Covalent_Unit_Count	1
60196390	Hydrogen_Bond_Acceptor_Count	6
6431	Defined_Atom_Stereo_Count	0
9576811	Exact_Mass	353.12229995
13058513	Undefined_Bond_Stereo_Count	0
156255626	Isotope_Atom_Count	0
165675	Hydrogen_Bond_Acceptor_Count	1
23684571	Hydrogen_Bond_Acceptor_Count	4
225710	Defined_Atom_Stereo_Count	0
635911	Hydrogen_Bond_Acceptor_Count	6
4055843	Exact_Mass	238.062994177
141315	XLogP3-AA	0.3
9879368	Exact_Mass	263.167399674
8855	Undefined_Bond_Stereo_Count	0
44600	Undefined_Bond_Stereo_Count	0
11105655	Covalent_Unit_Count	1
5281081	Isotope_Atom_Count	0
534959	Isotope_Atom_Count	0
923329	Hydrogen_Bond_Donor_Count	3
11657	Non-hydrogen_Atom_Count	4
113606	Molecular_Weight	195.17
13766702	TPSA	9.2
6675	TPSA	153
13871872	Undefined_Bond_Stereo_Count	0
10907686	Covalent_Unit_Count	1
98771	Hydrogen_Bond_Acceptor_Count	4
143255	Isotope_Atom_Count	0
6169	TPSA	65.6
74663	Isotope_Atom_Count	0
81450	Undefined_Bond_Stereo_Count	0
108223	TPSA	98
77442	Rotatable_Bond_Count	13
204735	TPSA	31
37175	XLogP3	3.8
71533242	Total_Formal_Charge	0
23668353	Covalent_Unit_Count	2
53393558	Non-hydrogen_Atom_Count	16
18984521	Defined_Bond_Stereo_Count	0
17195	Hydrogen_Bond_Acceptor_Count	2
77442653	Hydrogen_Bond_Donor_Count	1
25188420	Molecular_Weight	143.10
85904477	Total_Formal_Charge	0
15979	TPSA	0
1340	Covalent_Unit_Count	1
437	Rotatable_Bond_Count	4
1684	TPSA	74.2
9881626	Undefined_Bond_Stereo_Count	0
74431	Hydrogen_Bond_Acceptor_Count	2
69946325	Mono_Isotopic_Weight	185.10519334
67435898	Total_Formal_Charge	0
19526	Total_Formal_Charge	0
11953931	Covalent_Unit_Count	1
515574	Structure_Complexity	194
15533	Defined_Atom_Stereo_Count	0
16406	Non-hydrogen_Atom_Count	23
47445	Total_Formal_Charge	0
681183	Non-hydrogen_Atom_Count	22
12865	Hydrogen_Bond_Acceptor_Count	2
68499424	Mono_Isotopic_Weight	96.068748264
54362	Total_Formal_Charge	0
76958180	Undefined_Bond_Stereo_Count	0
78941	Hydrogen_Bond_Acceptor_Count	2
21895916	Defined_Atom_Stereo_Count	0
6048	Tautomer_Count	1
104745	Hydrogen_Bond_Donor_Count	0
550815	Hydrogen_Bond_Donor_Count	2
11561779	Rotatable_Bond_Count	9
60196394	Isotope_Atom_Count	0
22901819	Rotatable_Bond_Count	0
71321	Undefined_Bond_Stereo_Count	0
57505393	Hydrogen_Bond_Acceptor_Count	2
13616686	Hydrogen_Bond_Donor_Count	1
12574	Covalent_Unit_Count	1
721456	Total_Formal_Charge	0
8795	Covalent_Unit_Count	1
97443	Undefined_Atom_Stereo_Count	0
31877	Total_Formal_Charge	0
142518	Undefined_Bond_Stereo_Count	0
15424	Rotatable_Bond_Count	9
211468	Hydrogen_Bond_Donor_Count	0
93898	Hydrogen_Bond_Donor_Count	1
29878	Molecular_Weight	183.23
94753	Mono_Isotopic_Weight	149.07014524
12474860	Hydrogen_Bond_Donor_Count	0
25200541	Exact_Mass	209.95655405
41017	Hydrogen_Bond_Acceptor_Count	1
13062961	Isotope_Atom_Count	0
24820357	Total_Formal_Charge	0
72775170	TPSA	58.6
32230	Hydrogen_Bond_Acceptor_Count	5
9025	TPSA	18.5
118210808	XLogP3-AA	0.3
6761	Covalent_Unit_Count	1
11446305	XLogP3-AA	0.2
23533634	Total_Formal_Charge	0
5284542	XLogP3-AA	1.1
136351428	Defined_Atom_Stereo_Count	0
3616	Hydrogen_Bond_Donor_Count	2
69582	Non-hydrogen_Atom_Count	10
286157	TPSA	41.6
45358158	Undefined_Atom_Stereo_Count	3
130	Molecular_Weight	220.13
15277906	Hydrogen_Bond_Donor_Count	2
163636613	Undefined_Bond_Stereo_Count	0
9793703	Structure_Complexity	64
140181	Molecular_Weight	94.15
11349	Hydrogen_Bond_Donor_Count	1
26473	Mono_Isotopic_Weight	143.89618
550525	Exact_Mass	339.961063
714	Exact_Mass	795.11012487
447573	Mono_Isotopic_Weight	680.37717722
941361	Isotope_Atom_Count	0
10197657	Rotatable_Bond_Count	1
750287	Isotope_Atom_Count	0
73943	XLogP3-AA	0.9
556722	Isotope_Atom_Count	0
18177388	Undefined_Atom_Stereo_Count	1
443732	Structure_Complexity	24.8
544356	Non-hydrogen_Atom_Count	20
10870	Tautomer_Count	1
123117	Total_Formal_Charge	0
2122	Covalent_Unit_Count	1
60196301	Molecular_Weight	334.2
5311130	Covalent_Unit_Count	1
118855423	Undefined_Atom_Stereo_Count	0
51003749	Mono_Isotopic_Weight	286.0872908
1548972	Total_Formal_Charge	0
60789	Undefined_Atom_Stereo_Count	0
74600475	Molecular_Weight	428.5
47714	TPSA	50.8
87485	Tautomer_Count	1
123966192	Defined_Bond_Stereo_Count	0
3958	Undefined_Atom_Stereo_Count	1
71743826	Covalent_Unit_Count	1
90936519	Structure_Complexity	2330
7061	Undefined_Atom_Stereo_Count	0
496	Mono_Isotopic_Weight	187.168462302
57391320	Covalent_Unit_Count	1
16221	Hydrogen_Bond_Donor_Count	0
31898	Structure_Complexity	378
130013569	Isotope_Atom_Count	0
52941021	Undefined_Atom_Stereo_Count	0
80472094	Hydrogen_Bond_Donor_Count	0
181674	TPSA	30.8
11919	Isotope_Atom_Count	0
6437850	Tautomer_Count	1
5282448	Undefined_Atom_Stereo_Count	0
5358	Covalent_Unit_Count	1
4876	Non-hydrogen_Atom_Count	10
158144361	Undefined_Atom_Stereo_Count	0
11503692	Undefined_Bond_Stereo_Count	0
35455	Undefined_Bond_Stereo_Count	0
11957463	Structure_Complexity	576
1774	Defined_Bond_Stereo_Count	0
18730041	Structure_Complexity	58.4
565391	Hydrogen_Bond_Acceptor_Count	0
132677	Covalent_Unit_Count	1
443162	Undefined_Bond_Stereo_Count	0
14142596	Isotope_Atom_Count	0
10460941	Rotatable_Bond_Count	12
15347	Defined_Bond_Stereo_Count	0
60396	Hydrogen_Bond_Donor_Count	1
439184	Undefined_Bond_Stereo_Count	0
5043	Isotope_Atom_Count	0
12338288	Hydrogen_Bond_Acceptor_Count	1
3744660	Undefined_Atom_Stereo_Count	0
34332	XLogP3	3.2
656665	Hydrogen_Bond_Acceptor_Count	3
9960569	Defined_Atom_Stereo_Count	0
89125265	Exact_Mass	107.073499291
130035834	Exact_Mass	100.052429494
88928	Defined_Bond_Stereo_Count	0
77763	Exact_Mass	154.135765193
10327727	TPSA	190
16004722	Isotope_Atom_Count	0
8550	Defined_Atom_Stereo_Count	6
134797	Hydrogen_Bond_Donor_Count	2
13130	Covalent_Unit_Count	1
91563	Mono_Isotopic_Weight	74.036779430
7103	Non-hydrogen_Atom_Count	13
731455	Defined_Bond_Stereo_Count	0
140617878	Structure_Complexity	105
54267	Hydrogen_Bond_Donor_Count	0
78170	Non-hydrogen_Atom_Count	18
5460291	Structure_Complexity	104
91489	TPSA	74.2
2356	Total_Formal_Charge	0
120508	Rotatable_Bond_Count	7
8477	Undefined_Atom_Stereo_Count	0
443866	Covalent_Unit_Count	2
154108049	Structure_Complexity	156
509147	Structure_Complexity	322
638097	Hydrogen_Bond_Acceptor_Count	1
13393280	Mono_Isotopic_Weight	104.094963011
86018330	Undefined_Atom_Stereo_Count	0
44266486	Defined_Bond_Stereo_Count	0
70695760	Mono_Isotopic_Weight	479.09569
90685529	Total_Formal_Charge	0
21537140	Isotope_Atom_Count	0
6918498	Hydrogen_Bond_Donor_Count	3
14143095	Molecular_Weight	116.11
58002108	Undefined_Bond_Stereo_Count	0
15073	XLogP3-AA	0.6
9690	Isotope_Atom_Count	0
8264	Total_Formal_Charge	0
91635	Defined_Atom_Stereo_Count	0
6885	Isotope_Atom_Count	0
71584542	Exact_Mass	413.18517499
5940153	Undefined_Bond_Stereo_Count	0
36294	Total_Formal_Charge	0
639661	Exact_Mass	84.093900383
20056587	Undefined_Bond_Stereo_Count	0
3672	Isotope_Atom_Count	0
46835136	Total_Formal_Charge	0
29971	Exact_Mass	102.079312947
145644354	Covalent_Unit_Count	1
135414420	Hydrogen_Bond_Acceptor_Count	6
29327	Mono_Isotopic_Weight	265.09099983
17017	Tautomer_Count	6
123134657	Covalent_Unit_Count	1
12769	Hydrogen_Bond_Donor_Count	1
20330	Hydrogen_Bond_Acceptor_Count	2
129722587	Undefined_Atom_Stereo_Count	0
24233	Total_Formal_Charge	0
5280490	XLogP3	6.2
145454105	Defined_Atom_Stereo_Count	3
117190135	Mono_Isotopic_Weight	114.042927438
5277135	Defined_Atom_Stereo_Count	1
5284585	Undefined_Bond_Stereo_Count	0
41020	Total_Formal_Charge	0
61140	Undefined_Bond_Stereo_Count	0
16996	Mono_Isotopic_Weight	179.996103
46783063	Covalent_Unit_Count	2
12547675	Isotope_Atom_Count	0
71671	Hydrogen_Bond_Acceptor_Count	2
59939847	TPSA	49.3
50901	Molecular_Weight	356.9
3242895	Exact_Mass	374.22055744
769	Defined_Bond_Stereo_Count	0
5826113	Exact_Mass	370.21574685
45375946	Molecular_Weight	469.6
24007	Defined_Bond_Stereo_Count	0
250	Covalent_Unit_Count	1
5355836	Exact_Mass	192.04225873
54687772	Hydrogen_Bond_Donor_Count	3
104820	Exact_Mass	165.026060
86882	Hydrogen_Bond_Acceptor_Count	2
22178543	Covalent_Unit_Count	1
6697	Total_Formal_Charge	0
39147	Rotatable_Bond_Count	6
25001002	Undefined_Atom_Stereo_Count	0
2216	Covalent_Unit_Count	1
6455792	Isotope_Atom_Count	0
123479258	Defined_Bond_Stereo_Count	0
53825857	XLogP3-AA	1
6451155	Undefined_Atom_Stereo_Count	0
15706803	Defined_Bond_Stereo_Count	0
143331072	Hydrogen_Bond_Donor_Count	0
535053	Hydrogen_Bond_Donor_Count	1
162343997	Mono_Isotopic_Weight	155.9493327
6398	TPSA	0
66697936	Rotatable_Bond_Count	0
587128	Covalent_Unit_Count	1
9957535	Isotope_Atom_Count	0
6539	Exact_Mass	250.16978172
21902132	Molecular_Weight	101.10
32594	Structure_Complexity	128
92851	Defined_Atom_Stereo_Count	1
399235	Total_Formal_Charge	0
46900403	Undefined_Atom_Stereo_Count	1
162344865	Covalent_Unit_Count	2
46916401	Defined_Bond_Stereo_Count	0
16642494	Hydrogen_Bond_Acceptor_Count	2
138801	Molecular_Weight	274.5
23080912	Total_Formal_Charge	0
78062813	Defined_Atom_Stereo_Count	0
3054	Rotatable_Bond_Count	4
3862	Structure_Complexity	321
138403272	Defined_Atom_Stereo_Count	18
57856017	Covalent_Unit_Count	1
46891563	Defined_Atom_Stereo_Count	2
54742	TPSA	62
5478817	Structure_Complexity	124
138322	Tautomer_Count	5
134587348	Non-hydrogen_Atom_Count	41
11693521	TPSA	172
32924	Non-hydrogen_Atom_Count	11
15566577	XLogP3-AA	0
603	Structure_Complexity	273
91758680	Hydrogen_Bond_Donor_Count	3
4100	Rotatable_Bond_Count	1
6918840	Non-hydrogen_Atom_Count	67
53394037	XLogP3-AA	2.3
9982	Molecular_Weight	163.26
13795006	Non-hydrogen_Atom_Count	8
146993530	Isotope_Atom_Count	0
13396	Rotatable_Bond_Count	0
774599	TPSA	96.5
11389356	XLogP3-AA	0.5
12754038	Non-hydrogen_Atom_Count	8
136430	Defined_Bond_Stereo_Count	0
7113	Tautomer_Count	2
26275995	Isotope_Atom_Count	0
5603	Defined_Bond_Stereo_Count	0
9955977	Covalent_Unit_Count	3
47651	Undefined_Atom_Stereo_Count	0
141630	Defined_Atom_Stereo_Count	0
53631439	Rotatable_Bond_Count	1
2734686	Isotope_Atom_Count	0
82418987	Mono_Isotopic_Weight	111.068413911
4092	Covalent_Unit_Count	1
702015	Exact_Mass	260.10485899
15595	Defined_Bond_Stereo_Count	0
56928061	Defined_Bond_Stereo_Count	0
135398739	Total_Formal_Charge	0
11120	Undefined_Bond_Stereo_Count	0
13069	Total_Formal_Charge	0
69227465	Mono_Isotopic_Weight	483.22703980
6976	Undefined_Bond_Stereo_Count	0
549482	Defined_Atom_Stereo_Count	0
135410916	Hydrogen_Bond_Donor_Count	1
216454	Tautomer_Count	2
135860757	Hydrogen_Bond_Donor_Count	1
141691	Undefined_Bond_Stereo_Count	0
7694	Defined_Atom_Stereo_Count	0
900090	Defined_Bond_Stereo_Count	0
154030350	TPSA	0
16231	Covalent_Unit_Count	1
101576	XLogP3-AA	3.1
6918840	Defined_Bond_Stereo_Count	0
54217227	Defined_Bond_Stereo_Count	0
11561538	Defined_Bond_Stereo_Count	0
25072741	Molecular_Weight	431.4
5465	Mono_Isotopic_Weight	208.109944368
11112510	Undefined_Bond_Stereo_Count	0
21903	Hydrogen_Bond_Acceptor_Count	3
70677	Mono_Isotopic_Weight	444.00685688
10045495	Total_Formal_Charge	0
91442	Mono_Isotopic_Weight	241.1233420
1337	Defined_Atom_Stereo_Count	0
11628328	Structure_Complexity	962
129859529	TPSA	20.3
12454	Structure_Complexity	509
945090	Non-hydrogen_Atom_Count	22
57691826	TPSA	110
561096	Defined_Bond_Stereo_Count	0
16657	Molecular_Weight	98.19
57031137	Molecular_Weight	112.17
181887	Defined_Atom_Stereo_Count	0
5508	Mono_Isotopic_Weight	256.09736831
887824	Structure_Complexity	377
13917884	Mono_Isotopic_Weight	101.047678466
65663	Undefined_Atom_Stereo_Count	0
10484815	Hydrogen_Bond_Acceptor_Count	10
95916	Structure_Complexity	415
84878	Defined_Bond_Stereo_Count	0
70752	Non-hydrogen_Atom_Count	10
21901092	Mono_Isotopic_Weight	97.016378338
9926639	Covalent_Unit_Count	2
16743818	Hydrogen_Bond_Acceptor_Count	2
133562737	Non-hydrogen_Atom_Count	54
21824035	Structure_Complexity	143
5364920	Defined_Bond_Stereo_Count	1
162807	Rotatable_Bond_Count	0
12576852	Rotatable_Bond_Count	1
16719	Covalent_Unit_Count	1
139920	Defined_Atom_Stereo_Count	0
46841787	Molecular_Weight	531.9
6437063	TPSA	54.4
101808860	Defined_Atom_Stereo_Count	0
10986200	Exact_Mass	118.099379685
3916406	Covalent_Unit_Count	1
160355	Exact_Mass	354.21680947
10066	Molecular_Weight	364.9
3035829	Isotope_Atom_Count	0
72696796	Undefined_Bond_Stereo_Count	0
5364712	Exact_Mass	212.214015512
102118	Defined_Atom_Stereo_Count	0
16760227	Hydrogen_Bond_Acceptor_Count	7
12599704	Undefined_Bond_Stereo_Count	0
71157	Rotatable_Bond_Count	3
61222	Undefined_Atom_Stereo_Count	0
15394	Undefined_Atom_Stereo_Count	0
21325775	TPSA	42.2
150067	Rotatable_Bond_Count	2
161729	Undefined_Bond_Stereo_Count	0
59630221	Isotope_Atom_Count	0
70684314	Undefined_Atom_Stereo_Count	0
135887830	Defined_Bond_Stereo_Count	0
11393	Undefined_Atom_Stereo_Count	0
72022	Covalent_Unit_Count	1
8053	Structure_Complexity	63.4
38235	Structure_Complexity	221
22731481	Molecular_Weight	118.10
447378	Molecular_Weight	443.4
58051	Hydrogen_Bond_Acceptor_Count	4
825522	TPSA	52.6
421	Mono_Isotopic_Weight	208.05917210
7459	Defined_Atom_Stereo_Count	0
320930	Structure_Complexity	444
66879	Rotatable_Bond_Count	3
77554	Molecular_Weight	435.6
12940701	Hydrogen_Bond_Acceptor_Count	5
44755146	Molecular_Weight	326.17
16052015	Defined_Atom_Stereo_Count	8
5020115	Hydrogen_Bond_Donor_Count	1
13217907	Molecular_Weight	111.14
12563868	Total_Formal_Charge	0
5324054	Mono_Isotopic_Weight	110.073164938
6473883	XLogP3	4.2
20442	TPSA	156
15026073	TPSA	30.8
66080	Covalent_Unit_Count	1
71481106	Hydrogen_Bond_Donor_Count	2
86747	Covalent_Unit_Count	1
53394153	Structure_Complexity	552
3080714	Non-hydrogen_Atom_Count	32
11650	Hydrogen_Bond_Acceptor_Count	5
9555	Defined_Atom_Stereo_Count	0
58098237	Undefined_Bond_Stereo_Count	0
5321948	Hydrogen_Bond_Acceptor_Count	5
142624898	Undefined_Atom_Stereo_Count	0
23847	Hydrogen_Bond_Acceptor_Count	1
19998	Rotatable_Bond_Count	2
9554	Isotope_Atom_Count	0
3844264	XLogP3-AA	2.1
99646540	Undefined_Atom_Stereo_Count	0
783	Defined_Atom_Stereo_Count	0
12285891	Molecular_Weight	181.15
56835784	TPSA	262
55305	Tautomer_Count	1
23675746	Structure_Complexity	500
13332726	Structure_Complexity	123
72378	Hydrogen_Bond_Acceptor_Count	5
6605	Defined_Atom_Stereo_Count	2
25271818	Molecular_Weight	337.4
2482	Molecular_Weight	193.24
84647647	Hydrogen_Bond_Donor_Count	0
83822	XLogP3	5.1
18598488	Structure_Complexity	119
11055399	Tautomer_Count	2
74390	Rotatable_Bond_Count	7
24533	Non-hydrogen_Atom_Count	2
6914131	Undefined_Bond_Stereo_Count	0
3714	Covalent_Unit_Count	1
6491	TPSA	58.2
78446	Structure_Complexity	46.1
28107	Exact_Mass	827.46672049
13568406	Undefined_Atom_Stereo_Count	0
9794806	Hydrogen_Bond_Acceptor_Count	2
9960	Structure_Complexity	44.8
2808977	Hydrogen_Bond_Donor_Count	1
19789137	TPSA	29.5
29691	Isotope_Atom_Count	0
72487	Defined_Bond_Stereo_Count	0
95456	Hydrogen_Bond_Donor_Count	2
13559281	Hydrogen_Bond_Acceptor_Count	4
12230	Undefined_Atom_Stereo_Count	0
37175	Hydrogen_Bond_Acceptor_Count	2
53259022	Non-hydrogen_Atom_Count	38
78491	Exact_Mass	193.99424
21057641	Exact_Mass	525.2646307
6321405	XLogP3	2.7
5352062	Structure_Complexity	905
36209	Exact_Mass	200.237824961
13751953	TPSA	42.8
444302	TPSA	104
7234	Exact_Mass	178.099379685
5305	Non-hydrogen_Atom_Count	29
413540	Hydrogen_Bond_Acceptor_Count	1
64975	Hydrogen_Bond_Acceptor_Count	6
102318232	Non-hydrogen_Atom_Count	61
161765303	Isotope_Atom_Count	0
68624	Rotatable_Bond_Count	3
3763	Non-hydrogen_Atom_Count	10
156328	Molecular_Weight	402.5
59939847	Undefined_Bond_Stereo_Count	0
156024996	Isotope_Atom_Count	0
160439	XLogP3-AA	0.1
5484131	Molecular_Weight	546.6
27914	Molecular_Weight	196.04
2720	Molecular_Weight	295.7
5284630	Hydrogen_Bond_Donor_Count	0
134867626	TPSA	83.1
59886072	TPSA	110
642163	Defined_Atom_Stereo_Count	1
439456	Total_Formal_Charge	0
5353584	Undefined_Atom_Stereo_Count	7
13050832	Exact_Mass	100.100048391
134129858	Undefined_Atom_Stereo_Count	0
21519580	Structure_Complexity	157
66013	Non-hydrogen_Atom_Count	8
529269	Covalent_Unit_Count	1
520595	XLogP3-AA	1.2
61309780	Isotope_Atom_Count	0
77286	Isotope_Atom_Count	0
7984	Tautomer_Count	2
147864945	TPSA	26
23617864	Non-hydrogen_Atom_Count	15
89886	Defined_Atom_Stereo_Count	8
135905454	Undefined_Atom_Stereo_Count	1
6914282	Covalent_Unit_Count	1
20701649	Undefined_Bond_Stereo_Count	0
208921	Defined_Bond_Stereo_Count	0
9804496	Total_Formal_Charge	0
29396	Non-hydrogen_Atom_Count	8
34676237	Hydrogen_Bond_Donor_Count	1
118435360	Rotatable_Bond_Count	5
15139	Mono_Isotopic_Weight	356.19000621
10693	Undefined_Atom_Stereo_Count	0
13997619	Structure_Complexity	79.8
135618542	Rotatable_Bond_Count	8
135398740	Isotope_Atom_Count	0
443111	Total_Formal_Charge	0
46202743	XLogP3-AA	3.3
4601	Undefined_Bond_Stereo_Count	0
97383	Defined_Bond_Stereo_Count	0
58436	Molecular_Weight	278.39
27145	Undefined_Atom_Stereo_Count	0
97065	TPSA	98.2
136871	Structure_Complexity	42.6
1483	Isotope_Atom_Count	0
6441388	TPSA	127
5284632	Mono_Isotopic_Weight	392.22256882
5284382	Undefined_Atom_Stereo_Count	0
15774823	Structure_Complexity	106
5003	Molecular_Weight	541.5
162569	Hydrogen_Bond_Acceptor_Count	6
12302691	Total_Formal_Charge	0
51051629	Rotatable_Bond_Count	4
522007	Tautomer_Count	1
134479	Molecular_Weight	141.21
95299	Rotatable_Bond_Count	3
68381	Covalent_Unit_Count	1
9422	XLogP3-AA	5.8
551	Rotatable_Bond_Count	4
20526803	Molecular_Weight	112.09
77974	Defined_Bond_Stereo_Count	0
448803	Undefined_Bond_Stereo_Count	0
673820	Structure_Complexity	274
75194	Rotatable_Bond_Count	2
52946915	Total_Formal_Charge	0
13432441	Rotatable_Bond_Count	3
1219914	Undefined_Atom_Stereo_Count	0
947097	Hydrogen_Bond_Donor_Count	1
1667	Isotope_Atom_Count	0
5354456	Mono_Isotopic_Weight	130.02660867
19385693	Exact_Mass	107.048347172
50192	Undefined_Atom_Stereo_Count	0
68986	Non-hydrogen_Atom_Count	6
23725051	Structure_Complexity	237
55285271	Total_Formal_Charge	0
52950190	TPSA	102
52942291	Defined_Atom_Stereo_Count	1
83949	Structure_Complexity	1210
23305305	Defined_Atom_Stereo_Count	14
159876	Tautomer_Count	1
11655119	Rotatable_Bond_Count	6
44407737	Non-hydrogen_Atom_Count	26
31191	Non-hydrogen_Atom_Count	9
143886	Undefined_Bond_Stereo_Count	0
2461	Covalent_Unit_Count	1
22269415	Rotatable_Bond_Count	0
58468	Rotatable_Bond_Count	9
129674572	TPSA	43.6
60815	Structure_Complexity	523
439369	Rotatable_Bond_Count	9
126505488	Molecular_Weight	284.35
5405	Total_Formal_Charge	0
10309114	Hydrogen_Bond_Donor_Count	2
12384798	Structure_Complexity	59.1
54582823	Undefined_Bond_Stereo_Count	0
71248	Defined_Atom_Stereo_Count	0
121250	Rotatable_Bond_Count	2
71305059	Mono_Isotopic_Weight	421.11618739
23665591	Hydrogen_Bond_Donor_Count	1
134694008	Exact_Mass	433.19211085
49787489	Undefined_Bond_Stereo_Count	0
75357255	Isotope_Atom_Count	0
38879	Isotope_Atom_Count	0
27991	Tautomer_Count	1001
587322	Hydrogen_Bond_Donor_Count	0
5323927	Covalent_Unit_Count	1
65589	Defined_Bond_Stereo_Count	0
101417707	Hydrogen_Bond_Donor_Count	1
9898822	Non-hydrogen_Atom_Count	8
13046623	Undefined_Atom_Stereo_Count	0
5367588	Hydrogen_Bond_Acceptor_Count	0
5311036	Undefined_Bond_Stereo_Count	0
10355	Total_Formal_Charge	0
86422	Hydrogen_Bond_Donor_Count	1
9839306	Mono_Isotopic_Weight	300.17254462
71196	Mono_Isotopic_Weight	387.25219192
11842633	Molecular_Weight	504.6
6603320	Non-hydrogen_Atom_Count	36
6604472	Structure_Complexity	375
12951370	Rotatable_Bond_Count	3
5378825	XLogP3	1.7
84221363	Structure_Complexity	119
7839	Mono_Isotopic_Weight	185.86798
13595226	Undefined_Atom_Stereo_Count	1
9978	TPSA	37.3
75786	Rotatable_Bond_Count	4
4369084	Non-hydrogen_Atom_Count	22
443143	Molecular_Weight	224.34
138137	XLogP3-AA	3.4
13795010	Rotatable_Bond_Count	1
747268	Undefined_Atom_Stereo_Count	0
18314545	Non-hydrogen_Atom_Count	7
123920652	Exact_Mass	110.109550447
87086790	Hydrogen_Bond_Acceptor_Count	4
73413214	TPSA	29.5
12318317	Non-hydrogen_Atom_Count	10
87089	Exact_Mass	290.153146591
4503	Hydrogen_Bond_Donor_Count	5
192154	XLogP3	4.5
69108	Tautomer_Count	2
65050	Rotatable_Bond_Count	2
854749	Structure_Complexity	312
4618	Hydrogen_Bond_Acceptor_Count	6
23087	Covalent_Unit_Count	1
15277	Isotope_Atom_Count	0
75785	Exact_Mass	193.110278721
1117	Structure_Complexity	62.2
693315	Defined_Atom_Stereo_Count	0
1519404	Mono_Isotopic_Weight	171.08954328
69849	Undefined_Atom_Stereo_Count	0
646135	Hydrogen_Bond_Acceptor_Count	6
3525005	Non-hydrogen_Atom_Count	8
907991	Hydrogen_Bond_Acceptor_Count	5
168256	Structure_Complexity	511
12357829	Rotatable_Bond_Count	0
9464	TPSA	29.1
76968505	Covalent_Unit_Count	2
66532	Rotatable_Bond_Count	1
11398	Tautomer_Count	1
68901489	Non-hydrogen_Atom_Count	8
16667669	Hydrogen_Bond_Acceptor_Count	10
7002	Molecular_Weight	142.20
17017	Hydrogen_Bond_Acceptor_Count	2
126968609	Rotatable_Bond_Count	0
101082	Undefined_Bond_Stereo_Count	0
256019	Total_Formal_Charge	0
10986146	Structure_Complexity	2
66992840	Non-hydrogen_Atom_Count	19
18642481	Rotatable_Bond_Count	0
95400	Undefined_Atom_Stereo_Count	2
53870064	Defined_Bond_Stereo_Count	0
78557	Hydrogen_Bond_Donor_Count	0
25142970	Isotope_Atom_Count	0
43471	Covalent_Unit_Count	1
5284516	Non-hydrogen_Atom_Count	19
156618034	Molecular_Weight	342.30
46936190	Structure_Complexity	382
2881	Undefined_Atom_Stereo_Count	0
57396593	TPSA	78.7
5497163	Defined_Atom_Stereo_Count	0
86305	Undefined_Bond_Stereo_Count	0
74414	Total_Formal_Charge	0
3908	Exact_Mass	496.26070817
9812	Defined_Atom_Stereo_Count	0
57750420	Defined_Bond_Stereo_Count	0
36235	Hydrogen_Bond_Donor_Count	1
6918456	Hydrogen_Bond_Donor_Count	0
11327	Exact_Mass	156.093900383
71459167	Total_Formal_Charge	0
22645860	Isotope_Atom_Count	0
126969108	Undefined_Atom_Stereo_Count	10
9006	Structure_Complexity	108
251529	Undefined_Atom_Stereo_Count	1
6452830	TPSA	20.2
5356789	XLogP3	7.6
2734941	Rotatable_Bond_Count	4
2442	Total_Formal_Charge	0
5283134	Exact_Mass	625.30330126
71897	Total_Formal_Charge	0
82938	Mono_Isotopic_Weight	247.895076
18736805	Hydrogen_Bond_Acceptor_Count	3
7452	Molecular_Weight	168.11
5284583	Covalent_Unit_Count	1
74574	Molecular_Weight	310.21
402037	Isotope_Atom_Count	0
7400	TPSA	62.8
23665761	Hydrogen_Bond_Acceptor_Count	3
118897473	TPSA	51.8
53394122	Exact_Mass	376.22497412
15077633	Non-hydrogen_Atom_Count	7
57394836	Molecular_Weight	487.4
15559460	Rotatable_Bond_Count	4
1491	Structure_Complexity	157
826477	Mono_Isotopic_Weight	334.1003540
444679	Total_Formal_Charge	0
92222	Undefined_Atom_Stereo_Count	0
2481	Structure_Complexity	327
66296	Defined_Bond_Stereo_Count	0
134129158	Molecular_Weight	338.22
65624	Isotope_Atom_Count	0
79005	Covalent_Unit_Count	1
13976559	Mono_Isotopic_Weight	118.062994177
5375200	Undefined_Bond_Stereo_Count	0
4556055	Mono_Isotopic_Weight	344.23380221
10145345	Hydrogen_Bond_Donor_Count	0
9843640	Isotope_Atom_Count	0
16735967	Mono_Isotopic_Weight	508.27980365
581206	Exact_Mass	170.130679813
68364859	Undefined_Atom_Stereo_Count	0
5230726	XLogP3-AA	4.4
22168978	Structure_Complexity	80.2
72145	TPSA	111
44389437	Non-hydrogen_Atom_Count	36
6263	Defined_Bond_Stereo_Count	0
11137094	Mono_Isotopic_Weight	94.078250319
138756126	Undefined_Atom_Stereo_Count	6
23552387	Non-hydrogen_Atom_Count	7
129746471	Exact_Mass	96.021129366
160765	Molecular_Weight	120.17
5289419	XLogP3-AA	1
121323963	Total_Formal_Charge	0
17163	Non-hydrogen_Atom_Count	17
71583044	Undefined_Atom_Stereo_Count	0
136183544	Covalent_Unit_Count	3
136135	Hydrogen_Bond_Donor_Count	0
440667	Covalent_Unit_Count	1
123870	Undefined_Atom_Stereo_Count	1
57459433	Defined_Bond_Stereo_Count	0
23283068	Hydrogen_Bond_Donor_Count	0
60168097	Mono_Isotopic_Weight	465.23039385
2762785	Molecular_Weight	113.09
448055	Exact_Mass	275.15214353
36921	Rotatable_Bond_Count	5
9837656	Undefined_Bond_Stereo_Count	0
91364344	TPSA	20.2
244	Covalent_Unit_Count	1
16102868	Structure_Complexity	840
30667	Hydrogen_Bond_Acceptor_Count	2
57400482	Undefined_Atom_Stereo_Count	0
134250232	XLogP3-AA	0.6
96132	Defined_Bond_Stereo_Count	0
3681305	TPSA	83.4
96821	Non-hydrogen_Atom_Count	12
6927356	Defined_Bond_Stereo_Count	0
18999	Isotope_Atom_Count	0
75821	Molecular_Weight	162.18
22967031	Isotope_Atom_Count	0
12113	Undefined_Bond_Stereo_Count	0
42070	TPSA	35.2
129872373	XLogP3-AA	0.2
123892631	Covalent_Unit_Count	1
12305763	Exact_Mass	418.12638228
84975	Structure_Complexity	40.2
7471	Hydrogen_Bond_Donor_Count	0
73093	Total_Formal_Charge	0
46127	Non-hydrogen_Atom_Count	21
135589116	Hydrogen_Bond_Donor_Count	3
11227182	Molecular_Weight	597.7
7165	Rotatable_Bond_Count	3
94599	Undefined_Atom_Stereo_Count	0
11099	Exact_Mass	167.094628657
134824657	Mono_Isotopic_Weight	529.21726296
163501159	Rotatable_Bond_Count	1
581	Rotatable_Bond_Count	3
8050	Total_Formal_Charge	0
265	Defined_Bond_Stereo_Count	0
10938769	Molecular_Weight	422.9
4437318	Undefined_Atom_Stereo_Count	0
53988715	Undefined_Atom_Stereo_Count	0
316473	Hydrogen_Bond_Donor_Count	1
75791	Defined_Atom_Stereo_Count	0
2733673	Undefined_Bond_Stereo_Count	0
683563	Defined_Atom_Stereo_Count	0
34763	Isotope_Atom_Count	0
21914506	Non-hydrogen_Atom_Count	8
24987688	Exact_Mass	805.29141642
15659	Total_Formal_Charge	0
71720685	Hydrogen_Bond_Acceptor_Count	11
12393928	Covalent_Unit_Count	1
2312	Mono_Isotopic_Weight	289.240564612
634278	Hydrogen_Bond_Acceptor_Count	3
10256440	Structure_Complexity	951
12576587	Defined_Bond_Stereo_Count	0
11154711	Defined_Bond_Stereo_Count	0
2734236	Hydrogen_Bond_Donor_Count	0
23655	Hydrogen_Bond_Donor_Count	1
4707	Hydrogen_Bond_Acceptor_Count	5
10766	Undefined_Atom_Stereo_Count	1
59040622	Structure_Complexity	151
156963699	Exact_Mass	442.19915329
22768309	Structure_Complexity	78.5
107697	Hydrogen_Bond_Donor_Count	2
12398272	Total_Formal_Charge	0
156963344	Covalent_Unit_Count	1
144946255	Rotatable_Bond_Count	1
49865493	Exact_Mass	305.116426730
23721629	Hydrogen_Bond_Donor_Count	0
234839	Non-hydrogen_Atom_Count	14
55284853	Structure_Complexity	88.2
10057477	Molecular_Weight	115.13
72905	Exact_Mass	246.946192
77890	Isotope_Atom_Count	0
114801	TPSA	37.3
88631	Undefined_Atom_Stereo_Count	0
135419182	Molecular_Weight	538.22
108108	Defined_Bond_Stereo_Count	0
10486	Covalent_Unit_Count	1
66540	Exact_Mass	334.21440943
88100859	Hydrogen_Bond_Acceptor_Count	5
638066	Covalent_Unit_Count	1
119339	Hydrogen_Bond_Donor_Count	9
13653606	Structure_Complexity	477
9910975	Hydrogen_Bond_Acceptor_Count	12
54025313	TPSA	13.1
48783	Exact_Mass	210.10044231
11433190	Undefined_Bond_Stereo_Count	0
5283742	Molecular_Weight	416.6
830713	XLogP3	3.9
154152828	Isotope_Atom_Count	0
6977134	Defined_Atom_Stereo_Count	1
9589475	Molecular_Weight	522.6
81332758	Mono_Isotopic_Weight	111.068413911
123417941	Isotope_Atom_Count	0
11252	Defined_Atom_Stereo_Count	0
22062700	Mono_Isotopic_Weight	101.084063974
7499	Tautomer_Count	1
3165	Molecular_Weight	319.14
535856	Hydrogen_Bond_Acceptor_Count	2
56673690	TPSA	108
10411334	Rotatable_Bond_Count	7
6427110	Total_Formal_Charge	0
29934831	Hydrogen_Bond_Donor_Count	0
12375523	XLogP3-AA	0.3
243575	Tautomer_Count	2
53316138	Defined_Atom_Stereo_Count	6
5354266	Isotope_Atom_Count	0
135413508	Non-hydrogen_Atom_Count	81
12202794	Mono_Isotopic_Weight	115.063328530
586676	Molecular_Weight	180.20
5212856	Non-hydrogen_Atom_Count	20
14385	Covalent_Unit_Count	1
16308	Rotatable_Bond_Count	1
11634725	Tautomer_Count	44
36582	Tautomer_Count	2
4078	Defined_Bond_Stereo_Count	0
3025961	XLogP3-AA	3.3
69994	Rotatable_Bond_Count	2
19601937	Isotope_Atom_Count	0
8863	Defined_Atom_Stereo_Count	0
10931629	Undefined_Atom_Stereo_Count	1
9925873	Undefined_Atom_Stereo_Count	0
11365506	Undefined_Atom_Stereo_Count	0
188304	Non-hydrogen_Atom_Count	83
19773895	Rotatable_Bond_Count	1
216345	Non-hydrogen_Atom_Count	40
57572	Mono_Isotopic_Weight	219.125928785
21677822	Isotope_Atom_Count	0
6795	Rotatable_Bond_Count	0
56974851	Undefined_Bond_Stereo_Count	0
60078648	TPSA	110
53917786	Hydrogen_Bond_Donor_Count	1
77312	XLogP3-AA	0.9
10788	Hydrogen_Bond_Donor_Count	0
505	Undefined_Atom_Stereo_Count	4
998	Hydrogen_Bond_Donor_Count	0
439298	Tautomer_Count	27
7921	TPSA	26.3
18622348	Rotatable_Bond_Count	1
95162413	Mono_Isotopic_Weight	342.11621151
56661919	Molecular_Weight	366.4
8742	Undefined_Atom_Stereo_Count	0
1276	Defined_Bond_Stereo_Count	0
88	TPSA	409
51030529	Undefined_Bond_Stereo_Count	0
122345	TPSA	90.4
90955914	Undefined_Bond_Stereo_Count	0
45086592	TPSA	83.6
89378	Rotatable_Bond_Count	1
90498	Isotope_Atom_Count	0
5355219	Exact_Mass	187.063328530
52943333	Exact_Mass	421.14133951
573816	Undefined_Bond_Stereo_Count	0
13443454	Structure_Complexity	84.2
2771871	Molecular_Weight	168.96
49007	Undefined_Bond_Stereo_Count	0
123168759	Molecular_Weight	113.16
118218024	Covalent_Unit_Count	1
25077405	Undefined_Atom_Stereo_Count	0
4101437	Non-hydrogen_Atom_Count	7
162883454	Total_Formal_Charge	0
54691418	Non-hydrogen_Atom_Count	15
2443	Undefined_Atom_Stereo_Count	6
267449	Molecular_Weight	286.32
12832575	Non-hydrogen_Atom_Count	17
107676	Covalent_Unit_Count	3
21805409	Mono_Isotopic_Weight	104.094963011
58180	Tautomer_Count	1
441307	Undefined_Bond_Stereo_Count	0
71949	Molecular_Weight	461.8
21326740	Total_Formal_Charge	0
520148	XLogP3-AA	3.5
14867020	Hydrogen_Bond_Acceptor_Count	1
9966051	Exact_Mass	298.15036988
6946312	Defined_Bond_Stereo_Count	0
16040270	Non-hydrogen_Atom_Count	14
30552	Exact_Mass	466.22028266
79632	TPSA	216
91029	Hydrogen_Bond_Donor_Count	2
10299410	Defined_Bond_Stereo_Count	0
129210	Defined_Bond_Stereo_Count	0
53846430	Defined_Atom_Stereo_Count	4
13286	Hydrogen_Bond_Acceptor_Count	6
2351	Non-hydrogen_Atom_Count	27
12251749	Non-hydrogen_Atom_Count	8
24358	Isotope_Atom_Count	0
59481545	Total_Formal_Charge	0
23686132	TPSA	74.8
135398508	Rotatable_Bond_Count	2
129627802	Molecular_Weight	843.1
10796718	Total_Formal_Charge	0
87571014	Isotope_Atom_Count	0
13136	Non-hydrogen_Atom_Count	29
21942786	Hydrogen_Bond_Donor_Count	1
520744	Mono_Isotopic_Weight	142.135765193
848667	Exact_Mass	236.13249133
132837	Molecular_Weight	472.4
91682	TPSA	34.1
10180201	Covalent_Unit_Count	1
2734164	Isotope_Atom_Count	0
10332398	Defined_Atom_Stereo_Count	0
45588109	Hydrogen_Bond_Acceptor_Count	5
54242173	Hydrogen_Bond_Acceptor_Count	1
139584807	Hydrogen_Bond_Donor_Count	1
21482439	Structure_Complexity	70.8
11675152	Rotatable_Bond_Count	5
24860538	Hydrogen_Bond_Acceptor_Count	0
24825271	XLogP3-AA	2.7
65630	Exact_Mass	231.125928785
67960134	Defined_Atom_Stereo_Count	0
22206	Molecular_Weight	229.71
145391309	Mono_Isotopic_Weight	101.047678466
24917008	Exact_Mass	290.23313350
25181472	Total_Formal_Charge	0
14032966	Undefined_Bond_Stereo_Count	0
16659836	Mono_Isotopic_Weight	332.13094880
9980551	Exact_Mass	437.0003825
90703052	Undefined_Atom_Stereo_Count	0
91864465	Defined_Atom_Stereo_Count	4
65859	Isotope_Atom_Count	0
33478	Mono_Isotopic_Weight	463.17770683
79784	Undefined_Bond_Stereo_Count	0
23392960	Undefined_Bond_Stereo_Count	0
91810695	Exact_Mass	976.3034938
154214	Defined_Bond_Stereo_Count	0
64710	Defined_Atom_Stereo_Count	9
60195902	Non-hydrogen_Atom_Count	26
67112011	Defined_Atom_Stereo_Count	0
21054637	Non-hydrogen_Atom_Count	7
10297065	Rotatable_Bond_Count	4
115011064	Non-hydrogen_Atom_Count	8
48362	XLogP3-AA	3.2
28500	Total_Formal_Charge	0
252139	Mono_Isotopic_Weight	262.110613074
229	Non-hydrogen_Atom_Count	10
23567801	Molecular_Weight	112.17
156618073	Isotope_Atom_Count	0
210328	TPSA	101
57461895	Covalent_Unit_Count	1
10303030	Isotope_Atom_Count	0
7654	Covalent_Unit_Count	1
18785356	Isotope_Atom_Count	0
144511132	Undefined_Bond_Stereo_Count	0
134687046	TPSA	170
54756	Mono_Isotopic_Weight	160.125200510
59169	Defined_Bond_Stereo_Count	0
2728077	Exact_Mass	215.094628657
13704283	Total_Formal_Charge	0
17806	Isotope_Atom_Count	0
14691612	Undefined_Atom_Stereo_Count	1
11256720	Total_Formal_Charge	0
15450	Total_Formal_Charge	0
12638	TPSA	29.3
24871267	Rotatable_Bond_Count	8
14523483	Structure_Complexity	374
10801933	Total_Formal_Charge	0
27020	Mono_Isotopic_Weight	643.71052
9188	Defined_Bond_Stereo_Count	0
71335	Hydrogen_Bond_Acceptor_Count	7
216325	Molecular_Weight	616.9
4380	Hydrogen_Bond_Donor_Count	0
131411	Structure_Complexity	546
126251	Structure_Complexity	264
13184286	Total_Formal_Charge	0
11325699	Rotatable_Bond_Count	6
103333	XLogP3	0.6
5282386	Exact_Mass	280.1706265
13222108	Hydrogen_Bond_Acceptor_Count	2
11317	Non-hydrogen_Atom_Count	12
97959	Molecular_Weight	128.21
9859665	Defined_Atom_Stereo_Count	0
115197	Molecular_Weight	74.08
123801	Structure_Complexity	174
2401	TPSA	78.9
7025	Hydrogen_Bond_Acceptor_Count	4
6189	Structure_Complexity	635
9521	Hydrogen_Bond_Acceptor_Count	2
24466	Hydrogen_Bond_Acceptor_Count	4
54961	Rotatable_Bond_Count	5
143061	Structure_Complexity	123
29031	Covalent_Unit_Count	1
44446780	Structure_Complexity	272
6420010	Hydrogen_Bond_Acceptor_Count	8
56857	Defined_Atom_Stereo_Count	0
102452879	Covalent_Unit_Count	1
135492976	Rotatable_Bond_Count	1
85069	Structure_Complexity	439
5351564	Tautomer_Count	1
71300410	Molecular_Weight	557.6
5388880	Molecular_Weight	88.9074508
60196351	Hydrogen_Bond_Acceptor_Count	5
74031	Hydrogen_Bond_Acceptor_Count	2
42642648	Hydrogen_Bond_Acceptor_Count	8
1548942	Isotope_Atom_Count	0
54419	Structure_Complexity	291
171808	Defined_Atom_Stereo_Count	12
3081	Defined_Atom_Stereo_Count	0
71812105	Defined_Atom_Stereo_Count	0
11375816	Exact_Mass	518.4747169
267	Exact_Mass	1193.34142645
12314510	Non-hydrogen_Atom_Count	38
100516	Undefined_Atom_Stereo_Count	0
59184	Isotope_Atom_Count	0
76168	Hydrogen_Bond_Donor_Count	0
13076	Non-hydrogen_Atom_Count	16
446195	Non-hydrogen_Atom_Count	17
17473	Hydrogen_Bond_Acceptor_Count	18
19962896	Mono_Isotopic_Weight	96.068748264
727200	XLogP3-AA	3.6
14717795	Covalent_Unit_Count	1
155292829	Hydrogen_Bond_Donor_Count	6
657237	Non-hydrogen_Atom_Count	20
3446	Undefined_Atom_Stereo_Count	0
25961	Hydrogen_Bond_Donor_Count	2
328164	Hydrogen_Bond_Acceptor_Count	8
42790	Exact_Mass	630.14908
155903168	Hydrogen_Bond_Acceptor_Count	14
129628761	Rotatable_Bond_Count	4
60196296	Defined_Atom_Stereo_Count	0
25199807	Structure_Complexity	103
88332	Hydrogen_Bond_Donor_Count	0
520682	Non-hydrogen_Atom_Count	7
135565471	Hydrogen_Bond_Acceptor_Count	15
21865974	Isotope_Atom_Count	0
700861	Defined_Atom_Stereo_Count	0
5062223	Isotope_Atom_Count	0
11286453	Isotope_Atom_Count	0
53859	Structure_Complexity	416
97538	Exact_Mass	442.11583485
24473	Total_Formal_Charge	0
73238	Defined_Bond_Stereo_Count	0
23678	Undefined_Atom_Stereo_Count	0
72823	Undefined_Bond_Stereo_Count	0
24917007	Hydrogen_Bond_Acceptor_Count	4
17187	Mono_Isotopic_Weight	492.280464
21537133	Mono_Isotopic_Weight	116.047344113
5354043	Total_Formal_Charge	0
17239	Structure_Complexity	312
138474	Undefined_Bond_Stereo_Count	0
22505043	Covalent_Unit_Count	1
198730	Structure_Complexity	273
69807583	Hydrogen_Bond_Acceptor_Count	6
2905	Non-hydrogen_Atom_Count	21
53779803	Isotope_Atom_Count	0
16051988	Defined_Bond_Stereo_Count	0
133059	Covalent_Unit_Count	2
10690	Hydrogen_Bond_Acceptor_Count	7
76579279	Undefined_Bond_Stereo_Count	0
102600809	Hydrogen_Bond_Acceptor_Count	10
175948	Rotatable_Bond_Count	3
16756754	Rotatable_Bond_Count	7
3260420	Hydrogen_Bond_Acceptor_Count	1
124605148	Exact_Mass	665.30474055
71311389	Mono_Isotopic_Weight	257.925853
24995524	Hydrogen_Bond_Acceptor_Count	7
87609775	Defined_Atom_Stereo_Count	2
62705689	Defined_Atom_Stereo_Count	0
45266646	Structure_Complexity	1110
637894	Mono_Isotopic_Weight	98.073164938
9848024	Exact_Mass	480.27231823
63116	XLogP3	2.5
18569	Covalent_Unit_Count	1
6517	Undefined_Bond_Stereo_Count	0
30550	Molecular_Weight	770.6
90993	Tautomer_Count	6
13578	Exact_Mass	105.078978594
39268	Structure_Complexity	436
49867938	TPSA	279
12238859	Defined_Atom_Stereo_Count	0
80483237	Defined_Bond_Stereo_Count	0
23247721	Undefined_Atom_Stereo_Count	0
10887743	Non-hydrogen_Atom_Count	93
71776638	Total_Formal_Charge	0
11372	Hydrogen_Bond_Acceptor_Count	0
96670	TPSA	50.4
92043507	Molecular_Weight	843.1
71541177	Undefined_Atom_Stereo_Count	0
14201285	Hydrogen_Bond_Donor_Count	0
6917859	Total_Formal_Charge	0
656823	Hydrogen_Bond_Donor_Count	3
96805	Undefined_Atom_Stereo_Count	0
5460700	Tautomer_Count	1
3340152	Defined_Atom_Stereo_Count	0
57396041	Exact_Mass	454.33077660
31222	Hydrogen_Bond_Donor_Count	2
71072057	Covalent_Unit_Count	1
5460504	Isotope_Atom_Count	0
19065046	Defined_Bond_Stereo_Count	0
78836	Defined_Bond_Stereo_Count	0
44148640	TPSA	188
15335183	Non-hydrogen_Atom_Count	8
8104	Hydrogen_Bond_Acceptor_Count	1
13643838	Hydrogen_Bond_Acceptor_Count	2
46205733	Undefined_Bond_Stereo_Count	0
16220011	Hydrogen_Bond_Donor_Count	1
16129675	Molecular_Weight	1352.4
54160801	Defined_Bond_Stereo_Count	0
375912	Isotope_Atom_Count	0
10115	XLogP3-AA	11.5
12214987	TPSA	0
24838347	Rotatable_Bond_Count	1
2628	Defined_Bond_Stereo_Count	0
9966051	TPSA	40.6
87349895	TPSA	60.7
446056	Rotatable_Bond_Count	4
98648	Defined_Bond_Stereo_Count	0
86289069	TPSA	383
71482	Molecular_Weight	324.68
22097456	Covalent_Unit_Count	1
12502754	Molecular_Weight	97.12
439262	Structure_Complexity	641
6917941	Hydrogen_Bond_Acceptor_Count	3
12302654	Rotatable_Bond_Count	4
20058737	TPSA	41.1
16119814	Undefined_Atom_Stereo_Count	0
14241402	Hydrogen_Bond_Acceptor_Count	2
3388710	Total_Formal_Charge	0
191510	Hydrogen_Bond_Acceptor_Count	2
9793735	Molecular_Weight	115.17
11908488	Defined_Bond_Stereo_Count	0
28761	Exact_Mass	357.16885622
19888391	Isotope_Atom_Count	0
67797735	Molecular_Weight	339.4
44324	Hydrogen_Bond_Acceptor_Count	1
80837	Hydrogen_Bond_Donor_Count	2
73277	Exact_Mass	113.9984758
61917	Total_Formal_Charge	0
67850	Exact_Mass	401.80256
85864806	Total_Formal_Charge	0
109291	Rotatable_Bond_Count	10
6316	Tautomer_Count	1
6334	TPSA	0
6537495	Non-hydrogen_Atom_Count	11
9	Hydrogen_Bond_Acceptor_Count	9
9959	Hydrogen_Bond_Donor_Count	0
216239	Covalent_Unit_Count	1
20034086	Structure_Complexity	88.3
20605391	Covalent_Unit_Count	1
154525053	Defined_Bond_Stereo_Count	0
444200	Exact_Mass	164.06847348
99147	Defined_Atom_Stereo_Count	0
59791	TPSA	80.6
85867	TPSA	90.8
13346	Hydrogen_Bond_Acceptor_Count	5
129716995	Non-hydrogen_Atom_Count	26
7479	Structure_Complexity	126
16590	Hydrogen_Bond_Acceptor_Count	2
461003	Non-hydrogen_Atom_Count	31
91229160	Isotope_Atom_Count	0
54682536	Rotatable_Bond_Count	4
6918939	Defined_Bond_Stereo_Count	0
3806	Covalent_Unit_Count	1
63093	TPSA	0
6652	Undefined_Atom_Stereo_Count	1
84647648	Total_Formal_Charge	0
21426352	Undefined_Atom_Stereo_Count	1
24768019	Undefined_Atom_Stereo_Count	0
140535901	Covalent_Unit_Count	1
5387838	TPSA	99.9
140531511	Mono_Isotopic_Weight	102.00654193
18540824	Undefined_Bond_Stereo_Count	0
12285873	Structure_Complexity	151
86916	Tautomer_Count	1
88045	Undefined_Bond_Stereo_Count	0
16376	Exact_Mass	113.022526347
10788	Molecular_Weight	162.3
12467556	Covalent_Unit_Count	1
33547	TPSA	101
126480242	Non-hydrogen_Atom_Count	28
5702098	Undefined_Bond_Stereo_Count	0
19810797	Isotope_Atom_Count	0
76373	Non-hydrogen_Atom_Count	8
5200289	Non-hydrogen_Atom_Count	7
53850432	Mono_Isotopic_Weight	114.031694049
834999	Hydrogen_Bond_Acceptor_Count	6
136430	Hydrogen_Bond_Donor_Count	2
479	Non-hydrogen_Atom_Count	18
44119980	Hydrogen_Bond_Donor_Count	5
135436543	Mono_Isotopic_Weight	204.089877630
545127	Structure_Complexity	106
387179	Undefined_Atom_Stereo_Count	0
321	Defined_Bond_Stereo_Count	0
7041	Structure_Complexity	104
20138187	Molecular_Weight	111.11
9802	Exact_Mass	388.06464654
89811	Undefined_Bond_Stereo_Count	0
4436	Non-hydrogen_Atom_Count	16
10018576	Defined_Atom_Stereo_Count	0
63390	Molecular_Weight	295.4
292249	Covalent_Unit_Count	1
165295	TPSA	40.5
5363095	Tautomer_Count	1
21615038	Hydrogen_Bond_Acceptor_Count	4
47765	Undefined_Atom_Stereo_Count	0
140595	TPSA	40.5
10221890	Defined_Atom_Stereo_Count	0
439507	Hydrogen_Bond_Donor_Count	5
11147714	Undefined_Atom_Stereo_Count	0
85645107	Hydrogen_Bond_Acceptor_Count	2
8545	Mono_Isotopic_Weight	260.05321734
236791	Exact_Mass	201.078978594
643208	Defined_Bond_Stereo_Count	0
15413224	Defined_Atom_Stereo_Count	0
65492	Exact_Mass	776.8541
66992840	Total_Formal_Charge	0
5283377	Exact_Mass	236.214015512
91274	Undefined_Atom_Stereo_Count	0
5334356	Hydrogen_Bond_Acceptor_Count	4
159563	Exact_Mass	392.15968852
14194342	XLogP3-AA	0.5
4367	Total_Formal_Charge	0
6108	Exact_Mass	167.02185764
10246505	XLogP3	3.7
165611944	Non-hydrogen_Atom_Count	8
15448870	TPSA	0
69763756	Defined_Atom_Stereo_Count	0
59594915	Hydrogen_Bond_Acceptor_Count	5
9867257	TPSA	66.8
446758	Molecular_Weight	403.5
64647	Total_Formal_Charge	0
44348	Tautomer_Count	1
6917771	Rotatable_Bond_Count	6
535504	Non-hydrogen_Atom_Count	8
12599704	XLogP3-AA	0
10241442	Defined_Atom_Stereo_Count	1
118855925	Mono_Isotopic_Weight	181.06966484
87847445	Non-hydrogen_Atom_Count	8
96034	Molecular_Weight	99.17
11590255	Undefined_Atom_Stereo_Count	0
821	Undefined_Atom_Stereo_Count	24
88720280	Non-hydrogen_Atom_Count	8
67782238	Isotope_Atom_Count	0
61143	Total_Formal_Charge	0
50367	Exact_Mass	305.15618354
54285331	Mono_Isotopic_Weight	96.057514874
41322	Defined_Bond_Stereo_Count	0
59792626	Undefined_Bond_Stereo_Count	0
60814	TPSA	76.2
129009962	Structure_Complexity	3480
25608	Tautomer_Count	1
48783	XLogP3	1.6
2487	Hydrogen_Bond_Acceptor_Count	3
163578456	Total_Formal_Charge	0
3047830	Defined_Atom_Stereo_Count	0
22125	Isotope_Atom_Count	0
67683363	Undefined_Atom_Stereo_Count	0
56635545	Undefined_Bond_Stereo_Count	0
11378454	Undefined_Atom_Stereo_Count	1
94599	XLogP3-AA	4.5
12340	Undefined_Atom_Stereo_Count	0
12313473	Covalent_Unit_Count	1
201734	Undefined_Atom_Stereo_Count	0
285657	Mono_Isotopic_Weight	112.03851076
23663991	Hydrogen_Bond_Donor_Count	5
85104	TPSA	34.1
148539	Exact_Mass	132.0341926
129209	Tautomer_Count	1
16217605	Non-hydrogen_Atom_Count	23
12648672	XLogP3-AA	0.4
5056739	Hydrogen_Bond_Donor_Count	1
4314	Covalent_Unit_Count	1
22024814	TPSA	20.2
27430	Undefined_Bond_Stereo_Count	0
9956222	Molecular_Weight	467.5
565684	Non-hydrogen_Atom_Count	14
66747531	Isotope_Atom_Count	0
47499	Exact_Mass	520.10124741
633526	Mono_Isotopic_Weight	562.35758248
12309462	Undefined_Atom_Stereo_Count	0
131699179	Non-hydrogen_Atom_Count	12
13035	Undefined_Bond_Stereo_Count	0
156323004	Total_Formal_Charge	0
1437838	TPSA	37.4
51762	XLogP3-AA	4.4
2914	Exact_Mass	416.1754371
7157007	Covalent_Unit_Count	1
5288674	Defined_Bond_Stereo_Count	3
9973981	Tautomer_Count	1
1871	Mono_Isotopic_Weight	175.026943022
46933	Hydrogen_Bond_Acceptor_Count	3
70783	Undefined_Bond_Stereo_Count	0
50925625	Isotope_Atom_Count	0
3035240	Rotatable_Bond_Count	3
131400288	Hydrogen_Bond_Acceptor_Count	3
765	Mono_Isotopic_Weight	283.09166853
10217	Molecular_Weight	337.4
132399083	Hydrogen_Bond_Donor_Count	7
121595921	Mono_Isotopic_Weight	868.56604061
17963196	Exact_Mass	541.1204976
5460029	Hydrogen_Bond_Acceptor_Count	5
5281769	Defined_Atom_Stereo_Count	4
54022694	Non-hydrogen_Atom_Count	8
11502	Hydrogen_Bond_Acceptor_Count	0
21547708	Covalent_Unit_Count	1
94217	TPSA	40.5
738033	Undefined_Atom_Stereo_Count	0
611834	Covalent_Unit_Count	7
19974934	XLogP3-AA	2.5
11497836	Total_Formal_Charge	0
58840878	Molecular_Weight	100.16
11474262	Undefined_Bond_Stereo_Count	0
22842006	Isotope_Atom_Count	0
4205685	Defined_Atom_Stereo_Count	0
24814	Undefined_Atom_Stereo_Count	0
6328657	Hydrogen_Bond_Acceptor_Count	13
133053818	Rotatable_Bond_Count	3
123935295	Non-hydrogen_Atom_Count	7
96490	Defined_Atom_Stereo_Count	0
65388	Mono_Isotopic_Weight	171.08820061
24840945	Defined_Bond_Stereo_Count	0
72924	Mono_Isotopic_Weight	139.026943022
10217663	TPSA	77
9937618	Covalent_Unit_Count	3
57927	Defined_Bond_Stereo_Count	0
7048538	Exact_Mass	299.201105100
23667638	Undefined_Atom_Stereo_Count	0
23441	Isotope_Atom_Count	0
54511	Defined_Bond_Stereo_Count	0
51935	Isotope_Atom_Count	0
19935381	Undefined_Bond_Stereo_Count	0
3049771	Non-hydrogen_Atom_Count	12
91369480	Undefined_Atom_Stereo_Count	3
193602	Hydrogen_Bond_Acceptor_Count	3
75989941	Hydrogen_Bond_Acceptor_Count	1
21336123	Isotope_Atom_Count	0
25271812	Isotope_Atom_Count	0
7472	Covalent_Unit_Count	1
25190761	Structure_Complexity	417
89602862	Mono_Isotopic_Weight	113.011292958
102846	Defined_Bond_Stereo_Count	0
8100	Molecular_Weight	229.94
69810334	Structure_Complexity	91
21362	Hydrogen_Bond_Donor_Count	6
123620036	Non-hydrogen_Atom_Count	8
40459111	Isotope_Atom_Count	0
328164	Non-hydrogen_Atom_Count	30
57522038	Rotatable_Bond_Count	7
140442165	Exact_Mass	1201.84136802
22262513	Mono_Isotopic_Weight	99.068413911
20675091	TPSA	32.7
87279996	Hydrogen_Bond_Donor_Count	1
56955180	Undefined_Bond_Stereo_Count	0
54690315	Hydrogen_Bond_Acceptor_Count	4
131674979	Undefined_Bond_Stereo_Count	2
160617	Undefined_Atom_Stereo_Count	0
13050	Hydrogen_Bond_Acceptor_Count	3
153386860	Molecular_Weight	110.15
72142	Isotope_Atom_Count	0
104955	Hydrogen_Bond_Acceptor_Count	4
5236	Mono_Isotopic_Weight	77.00388246
9258	Total_Formal_Charge	0
87479	Hydrogen_Bond_Donor_Count	0
11063784	Isotope_Atom_Count	0
439250	Exact_Mass	136.125200510
96570	Exact_Mass	272.01188512
230	Total_Formal_Charge	0
31492	Structure_Complexity	120
53672	Tautomer_Count	1
60820	Rotatable_Bond_Count	6
6917697	Covalent_Unit_Count	2
56962215	Hydrogen_Bond_Donor_Count	1
53750884	Covalent_Unit_Count	1
16111	Exact_Mass	281.09292838
60196366	Undefined_Bond_Stereo_Count	0
13639661	Molecular_Weight	116.11
2110	TPSA	83.6
19031522	Defined_Atom_Stereo_Count	0
57827330	Exact_Mass	437.11333049
23663969	Defined_Bond_Stereo_Count	0
44454985	Undefined_Bond_Stereo_Count	0
62926	Total_Formal_Charge	0
16220011	Covalent_Unit_Count	1
2736548	Hydrogen_Bond_Acceptor_Count	2
11518241	Undefined_Atom_Stereo_Count	0
41368	Defined_Bond_Stereo_Count	0
441558	Total_Formal_Charge	0
23724817	Rotatable_Bond_Count	12
55286252	Hydrogen_Bond_Acceptor_Count	3
5479537	Covalent_Unit_Count	1
91021644	Total_Formal_Charge	0
39272	Total_Formal_Charge	0
439998	Molecular_Weight	290.27
18759351	Isotope_Atom_Count	0
30493	Mono_Isotopic_Weight	265.110278721
40521	Mono_Isotopic_Weight	335.0724492
18397995	Mono_Isotopic_Weight	645.24801352
12311253	Defined_Bond_Stereo_Count	0
229	Mono_Isotopic_Weight	150.05282342
547790	Rotatable_Bond_Count	2
119081	Mono_Isotopic_Weight	282.13280507
20677	Rotatable_Bond_Count	8
556306	Undefined_Bond_Stereo_Count	0
36457	TPSA	182
9548714	Covalent_Unit_Count	1
856	Defined_Bond_Stereo_Count	0
5325949	TPSA	20.2
152257	Hydrogen_Bond_Donor_Count	1
69253625	Structure_Complexity	86.5
77009	Structure_Complexity	176
3793939	Molecular_Weight	202.00
78759292	Undefined_Atom_Stereo_Count	1
13760528	Molecular_Weight	112.17
69188	Defined_Bond_Stereo_Count	0
131162679	Mono_Isotopic_Weight	117.078978594
2159	Exact_Mass	369.17222752
46199646	Molecular_Weight	520.5
51387014	Rotatable_Bond_Count	7
62662	Mono_Isotopic_Weight	277.960618
71888	TPSA	94.8
5068775	Hydrogen_Bond_Acceptor_Count	2
5280604	Defined_Bond_Stereo_Count	10
16698	Undefined_Bond_Stereo_Count	0
84106846	XLogP3-AA	1.8
92283	Non-hydrogen_Atom_Count	12
9925544	Hydrogen_Bond_Donor_Count	4
67204829	Total_Formal_Charge	0
5121	Defined_Atom_Stereo_Count	0
199758	Non-hydrogen_Atom_Count	23
57928403	Molecular_Weight	326.4
13751	Undefined_Bond_Stereo_Count	0
23667546	Hydrogen_Bond_Donor_Count	1
227430	Non-hydrogen_Atom_Count	18
31170	Undefined_Atom_Stereo_Count	0
5407	Structure_Complexity	602
21253562	Molecular_Weight	96.09
106358	Tautomer_Count	1
122232532	Covalent_Unit_Count	1
81396	Undefined_Atom_Stereo_Count	0
657302	Molecular_Weight	274.25
258	Total_Formal_Charge	0
11520759	Molecular_Weight	489.5
4290	Molecular_Weight	308.33
154731141	Covalent_Unit_Count	2
9892539	Defined_Atom_Stereo_Count	0
80980	Covalent_Unit_Count	1
155346	Hydrogen_Bond_Acceptor_Count	4
41634	Mono_Isotopic_Weight	337.0239443
44644	Defined_Atom_Stereo_Count	0
124486	Hydrogen_Bond_Acceptor_Count	5
12431582	XLogP3-AA	1.6
76398	Non-hydrogen_Atom_Count	7
31373	Defined_Atom_Stereo_Count	0
57270176	Covalent_Unit_Count	1
50023	Structure_Complexity	255
23284	XLogP3-AA	4.7
71449974	Undefined_Atom_Stereo_Count	1
27435	Rotatable_Bond_Count	3
21864560	Molecular_Weight	1213.4
47765	Molecular_Weight	312.39
72761	Hydrogen_Bond_Donor_Count	2
591519	Undefined_Bond_Stereo_Count	0
136838	Structure_Complexity	86.6
44422352	Structure_Complexity	821
12228202	Rotatable_Bond_Count	0
98614	Rotatable_Bond_Count	0
223	Undefined_Bond_Stereo_Count	0
6376436	Structure_Complexity	823
2762809	Defined_Atom_Stereo_Count	0
3717450	Tautomer_Count	1
19962876	Mono_Isotopic_Weight	83.037113783
50990560	Defined_Atom_Stereo_Count	18
133090	Isotope_Atom_Count	0
2653	Undefined_Atom_Stereo_Count	2
517859	Non-hydrogen_Atom_Count	8
11670791	Undefined_Atom_Stereo_Count	0
28697	Molecular_Weight	226.4
65859	Structure_Complexity	212
153241	Exact_Mass	452.16958450
12819963	Rotatable_Bond_Count	0
13696436	Undefined_Bond_Stereo_Count	0
9973	Isotope_Atom_Count	0
142765305	Mono_Isotopic_Weight	109.052763847
53494972	Isotope_Atom_Count	0
441289	Undefined_Atom_Stereo_Count	0
533909	TPSA	35.2
60096125	Defined_Atom_Stereo_Count	0
138107644	Hydrogen_Bond_Donor_Count	5
87322	Isotope_Atom_Count	0
168263	Structure_Complexity	83.5
54265485	Structure_Complexity	86.5
26574	Hydrogen_Bond_Donor_Count	0
6541	Hydrogen_Bond_Acceptor_Count	5
229126	Covalent_Unit_Count	1
21903575	Isotope_Atom_Count	0
164164517	Exact_Mass	99.068413911
291	Molecular_Weight	489.33
6597	Undefined_Atom_Stereo_Count	0
26132	Undefined_Bond_Stereo_Count	0
54530170	Hydrogen_Bond_Donor_Count	1
8691	Molecular_Weight	249.70
10247670	Hydrogen_Bond_Donor_Count	1
71335300	TPSA	12.5
31285	Non-hydrogen_Atom_Count	9
28761	XLogP3-AA	2.2
135492	Total_Formal_Charge	0
16837	Defined_Atom_Stereo_Count	0
6429	Mono_Isotopic_Weight	169.9313180
5659	Structure_Complexity	312
405012	Non-hydrogen_Atom_Count	16
99868	Undefined_Atom_Stereo_Count	1
14640738	Isotope_Atom_Count	0
12291486	XLogP3-AA	2.2
40637217	Isotope_Atom_Count	0
7999	Defined_Bond_Stereo_Count	0
221292	Total_Formal_Charge	0
88808	Non-hydrogen_Atom_Count	21
47721	Defined_Bond_Stereo_Count	0
55245	XLogP3-AA	3.8
54453800	Non-hydrogen_Atom_Count	8
10785	Molecular_Weight	114.14
24526	Molecular_Weight	70.90
31280	Rotatable_Bond_Count	16
71463826	TPSA	60.7
65923	Total_Formal_Charge	0
135977933	Defined_Atom_Stereo_Count	0
140552347	Structure_Complexity	95.3
13609260	Structure_Complexity	78.6
146779553	TPSA	0
3081276	Defined_Atom_Stereo_Count	7
152943	Undefined_Bond_Stereo_Count	0
87605	Molecular_Weight	116.20
75641	Non-hydrogen_Atom_Count	15
10567	Defined_Atom_Stereo_Count	0
154101	Covalent_Unit_Count	1
5077	Rotatable_Bond_Count	5
7080	Non-hydrogen_Atom_Count	18
6611744	Isotope_Atom_Count	0
18952630	Non-hydrogen_Atom_Count	7
71463896	Defined_Bond_Stereo_Count	0
46202081	Defined_Atom_Stereo_Count	0
550642	Total_Formal_Charge	0
156418	Hydrogen_Bond_Acceptor_Count	4
71890	TPSA	76.7
70734	TPSA	58.7
6477971	Hydrogen_Bond_Acceptor_Count	12
19966769	Exact_Mass	100.027277375
23665765	Hydrogen_Bond_Donor_Count	0
164252	Defined_Atom_Stereo_Count	1
5460337	Exact_Mass	202.050418117
17946	XLogP3	2.9
2724505	TPSA	63.3
22419	Undefined_Bond_Stereo_Count	0
53987564	Hydrogen_Bond_Donor_Count	2
17776820	Undefined_Atom_Stereo_Count	2
933147	Total_Formal_Charge	0
98882	Total_Formal_Charge	0
44609731	Non-hydrogen_Atom_Count	30
114739	TPSA	66.8
10275	Undefined_Atom_Stereo_Count	0
67515	Covalent_Unit_Count	1
5816	Undefined_Bond_Stereo_Count	0
212	Hydrogen_Bond_Donor_Count	4
2771758	Tautomer_Count	7
413540	TPSA	15.6
4908365	Undefined_Bond_Stereo_Count	0
3034756	Mono_Isotopic_Weight	344.17360725
56845780	Defined_Atom_Stereo_Count	4
253878	Defined_Atom_Stereo_Count	0
97697	Tautomer_Count	1
34235	Undefined_Atom_Stereo_Count	2
61054	Covalent_Unit_Count	1
6918678	Undefined_Bond_Stereo_Count	0
60810	Hydrogen_Bond_Donor_Count	1
116841944	Defined_Atom_Stereo_Count	0
11832800	Hydrogen_Bond_Acceptor_Count	1
26546	Non-hydrogen_Atom_Count	24
30923	Total_Formal_Charge	0
11105314	Hydrogen_Bond_Acceptor_Count	2
6973628	Covalent_Unit_Count	1
7927	Hydrogen_Bond_Donor_Count	0
225	Hydrogen_Bond_Acceptor_Count	2
854023	Defined_Bond_Stereo_Count	0
24201024	Structure_Complexity	530
441277	Molecular_Weight	321.9
38706	Non-hydrogen_Atom_Count	12
143342009	Structure_Complexity	115
23642301	Structure_Complexity	578
4691	Undefined_Bond_Stereo_Count	0
636398	XLogP3	4.2
22112092	Structure_Complexity	72.5
62576	Hydrogen_Bond_Donor_Count	0
55861	Covalent_Unit_Count	1
165906266	Hydrogen_Bond_Donor_Count	2
6458	Mono_Isotopic_Weight	294.0631547
10200589	Undefined_Bond_Stereo_Count	0
13308	Defined_Atom_Stereo_Count	6
3067270	Hydrogen_Bond_Acceptor_Count	12
118797621	Non-hydrogen_Atom_Count	12
689784	Hydrogen_Bond_Acceptor_Count	7
60988	Isotope_Atom_Count	0
1549778	Structure_Complexity	230
2843	Non-hydrogen_Atom_Count	45
92155	Tautomer_Count	1
19354670	Non-hydrogen_Atom_Count	6
7098630	Covalent_Unit_Count	1
1242943	Hydrogen_Bond_Donor_Count	1
5353466	Hydrogen_Bond_Donor_Count	3
57459433	Hydrogen_Bond_Donor_Count	2
123316507	Mono_Isotopic_Weight	1201.84136802
136589	Hydrogen_Bond_Acceptor_Count	1
16003	TPSA	45.6
705228	Covalent_Unit_Count	1
89374433	Defined_Bond_Stereo_Count	0
619446	Structure_Complexity	318
21314538	Defined_Atom_Stereo_Count	0
8878	Non-hydrogen_Atom_Count	12
11586912	Rotatable_Bond_Count	4
59660022	Mono_Isotopic_Weight	96.057514874
12069	Non-hydrogen_Atom_Count	15
9447938	XLogP3	3.3
14228	Defined_Atom_Stereo_Count	0
633	Rotatable_Bond_Count	23
15460	Hydrogen_Bond_Acceptor_Count	0
7083	Mono_Isotopic_Weight	305.0753464
12136798	Covalent_Unit_Count	1
50128	Defined_Atom_Stereo_Count	0
514067	Isotope_Atom_Count	0
72311	Covalent_Unit_Count	2
9983746	Exact_Mass	254.094294304
80065	TPSA	78.9
12694	Molecular_Weight	127.95
21349800	Hydrogen_Bond_Acceptor_Count	3
54677977	Mono_Isotopic_Weight	270.06161202
60134	Structure_Complexity	533
20644245	Molecular_Weight	98.14
55286482	Non-hydrogen_Atom_Count	8
101610369	Isotope_Atom_Count	0
69536	Molecular_Weight	395.07
4317	Undefined_Bond_Stereo_Count	0
24193	Undefined_Bond_Stereo_Count	0
4196	Defined_Bond_Stereo_Count	0
487	Undefined_Atom_Stereo_Count	0
17806	Exact_Mass	294.25319498
6862	Exact_Mass	186.068079557
96498	Covalent_Unit_Count	1
5655	Hydrogen_Bond_Donor_Count	2
9929799	Covalent_Unit_Count	2
76415	Mono_Isotopic_Weight	308.083729621
44310513	Exact_Mass	391.19296297
22559336	Hydrogen_Bond_Donor_Count	0
3965	TPSA	54.4
36273	Mono_Isotopic_Weight	325.14601278
11564168	Defined_Bond_Stereo_Count	0
64302	Mono_Isotopic_Weight	627.14025
71663	Undefined_Bond_Stereo_Count	2
424	Defined_Atom_Stereo_Count	0
492483	Total_Formal_Charge	0
80487728	Molecular_Weight	114.11
208920	Hydrogen_Bond_Donor_Count	3
133083079	Structure_Complexity	3390
3002820	Defined_Bond_Stereo_Count	1
23681382	Undefined_Atom_Stereo_Count	0
448545	Undefined_Bond_Stereo_Count	0
21924633	Mono_Isotopic_Weight	98.073164938
30541	Isotope_Atom_Count	0
10444765	Mono_Isotopic_Weight	249.172878976
3383	Hydrogen_Bond_Donor_Count	2
3085017	Total_Formal_Charge	0
85626	TPSA	24.7
11370864	Mono_Isotopic_Weight	327.1156697
65049734	Structure_Complexity	111
6693	XLogP3	2.3
51029782	Mono_Isotopic_Weight	401.20630436
996625	Non-hydrogen_Atom_Count	25
9961469	Non-hydrogen_Atom_Count	40
44556162	TPSA	126
30971	Rotatable_Bond_Count	2
11957593	Defined_Atom_Stereo_Count	0
21078422	Molecular_Weight	97.16
118701498	Rotatable_Bond_Count	0
93521	Undefined_Atom_Stereo_Count	0
85538176	Undefined_Atom_Stereo_Count	0
66043	Non-hydrogen_Atom_Count	10
54718618	Non-hydrogen_Atom_Count	32
53470	Isotope_Atom_Count	0
22182162	Total_Formal_Charge	0
13748	Defined_Atom_Stereo_Count	0
7578	Covalent_Unit_Count	1
21452207	Mono_Isotopic_Weight	96.057514874
60921	Structure_Complexity	979
4260354	Isotope_Atom_Count	0
7053	Defined_Atom_Stereo_Count	0
21439	Non-hydrogen_Atom_Count	9
135643052	Hydrogen_Bond_Acceptor_Count	5
9832404	Isotope_Atom_Count	0
44297456	Hydrogen_Bond_Acceptor_Count	9
136710	Rotatable_Bond_Count	2
3342768	Defined_Atom_Stereo_Count	0
127030167	Structure_Complexity	1980
5771	Structure_Complexity	1870
67771108	Defined_Atom_Stereo_Count	0
125110	Total_Formal_Charge	0
12978170	TPSA	0
58737	XLogP3-AA	4.9
106823823	Exact_Mass	116.083729621
91326539	Hydrogen_Bond_Acceptor_Count	0
9863827	Structure_Complexity	645
4456	TPSA	29.5
23103323	Defined_Atom_Stereo_Count	0
13487335	Defined_Atom_Stereo_Count	0
71541278	Covalent_Unit_Count	1
3654	Structure_Complexity	413
126083	Hydrogen_Bond_Acceptor_Count	5
3034278	Molecular_Weight	288.4
9576412	Total_Formal_Charge	0
22391	TPSA	20.3
10866290	Undefined_Bond_Stereo_Count	0
12105	Exact_Mass	120.057514874
98621118	Defined_Atom_Stereo_Count	6
250451	Undefined_Atom_Stereo_Count	0
235700	XLogP3-AA	1.6
11442891	Hydrogen_Bond_Acceptor_Count	6
29656	Defined_Bond_Stereo_Count	0
18715987	Rotatable_Bond_Count	3
670580	Mono_Isotopic_Weight	320.04310506
9246	Isotope_Atom_Count	0
86999	Defined_Atom_Stereo_Count	0
11137092	XLogP3-AA	1.1
92321	Structure_Complexity	336
688573	Undefined_Bond_Stereo_Count	0
135398700	Rotatable_Bond_Count	0
53316710	Exact_Mass	509.31660370
71306478	Undefined_Bond_Stereo_Count	0
135497698	Molecular_Weight	266.68
84063996	Mono_Isotopic_Weight	116.083729621
53801928	Isotope_Atom_Count	0
5463134	Covalent_Unit_Count	1
345	Undefined_Atom_Stereo_Count	0
104747	Defined_Atom_Stereo_Count	0
44407737	Hydrogen_Bond_Donor_Count	1
66760	XLogP3-AA	1.7
12514389	Covalent_Unit_Count	1
529229	Molecular_Weight	118.13
959571	Undefined_Atom_Stereo_Count	0
14491	Molecular_Weight	150.3
664136	Defined_Bond_Stereo_Count	0
138323	Exact_Mass	98.073164938
16307	Undefined_Atom_Stereo_Count	0
20561716	Total_Formal_Charge	0
55285	Defined_Bond_Stereo_Count	0
19892314	Hydrogen_Bond_Acceptor_Count	5
68547	Rotatable_Bond_Count	3
834	Hydrogen_Bond_Acceptor_Count	7
9420	Defined_Bond_Stereo_Count	0
57915	Hydrogen_Bond_Acceptor_Count	8
72401	Covalent_Unit_Count	1
11304743	Molecular_Weight	422.4
192794	Hydrogen_Bond_Acceptor_Count	3
8490	Covalent_Unit_Count	1
179394	Defined_Bond_Stereo_Count	0
54688697	Undefined_Bond_Stereo_Count	0
15132	Non-hydrogen_Atom_Count	11
217048	Undefined_Atom_Stereo_Count	0
135564996	Molecular_Weight	538.6
231360	Total_Formal_Charge	0
11170931	Total_Formal_Charge	0
472	Defined_Atom_Stereo_Count	0
125353406	Covalent_Unit_Count	1
183679	Defined_Atom_Stereo_Count	0
54077	TPSA	83.2
2794133	TPSA	121
12245594	Defined_Atom_Stereo_Count	0
83150	Hydrogen_Bond_Donor_Count	2
54690315	Structure_Complexity	160
62500	Total_Formal_Charge	0
76973265	Undefined_Bond_Stereo_Count	0
9794485	Exact_Mass	185.141578849
1013432	Hydrogen_Bond_Donor_Count	1
128600	Structure_Complexity	481
58082088	Mono_Isotopic_Weight	116.083729621
171075	Defined_Bond_Stereo_Count	0
670820	Non-hydrogen_Atom_Count	21
51030053	Covalent_Unit_Count	1
6580	Rotatable_Bond_Count	1
137530132	Mono_Isotopic_Weight	531.17327
21023678	Rotatable_Bond_Count	0
173	Exact_Mass	187.12084340
1110	TPSA	74.6
6032	Molecular_Weight	484.5
135445749	TPSA	204
22723	Total_Formal_Charge	0
77589	Defined_Atom_Stereo_Count	0
3038505	Mono_Isotopic_Weight	534.27298694
3064224	Hydrogen_Bond_Donor_Count	2
25548	Hydrogen_Bond_Donor_Count	0
19908673	Undefined_Atom_Stereo_Count	0
44571224	Defined_Bond_Stereo_Count	0
115268	Total_Formal_Charge	0
26098	Isotope_Atom_Count	0
103451510	Defined_Bond_Stereo_Count	0
129688356	Total_Formal_Charge	0
18606	Molecular_Weight	144.13
8594	Undefined_Atom_Stereo_Count	0
3346	Non-hydrogen_Atom_Count	16
4454486	XLogP3-AA	2.9
60396	Exact_Mass	165.078978594
5491906	Isotope_Atom_Count	0
96424	Undefined_Bond_Stereo_Count	1
57271697	XLogP3-AA	1.2
123725105	Defined_Atom_Stereo_Count	0
129146	Undefined_Atom_Stereo_Count	0
49243	TPSA	101
24518	Covalent_Unit_Count	3
54378536	Undefined_Atom_Stereo_Count	0
11382	Rotatable_Bond_Count	3
13400857	Isotope_Atom_Count	0
101089158	Hydrogen_Bond_Donor_Count	1
163685	Structure_Complexity	511
53815669	Non-hydrogen_Atom_Count	7
66245	Defined_Bond_Stereo_Count	0
2733	TPSA	38.3
9001	Non-hydrogen_Atom_Count	18
21448982	Exact_Mass	115.026943022
11078406	Rotatable_Bond_Count	2
6448585	Mono_Isotopic_Weight	412.21105539
440113	Isotope_Atom_Count	0
7122	Isotope_Atom_Count	0
9828310	Non-hydrogen_Atom_Count	37
5330175	Structure_Complexity	551
9864202	Total_Formal_Charge	0
3391107	Exact_Mass	306.9966974
3683036	Molecular_Weight	169.16
20055482	Undefined_Atom_Stereo_Count	0
11366953	Total_Formal_Charge	0
8972	Defined_Bond_Stereo_Count	0
80168	Mono_Isotopic_Weight	244.16745924
23677058	Hydrogen_Bond_Donor_Count	1
107977	Isotope_Atom_Count	0
14436067	Molecular_Weight	103.12
30295	TPSA	32.7
35489	Structure_Complexity	384
692450	Covalent_Unit_Count	1
68072	Defined_Atom_Stereo_Count	0
25215	Rotatable_Bond_Count	1
309734	TPSA	29.1
42580057	Molecular_Weight	342.30
10182969	Structure_Complexity	777
65910	Hydrogen_Bond_Acceptor_Count	11
76459	XLogP3	4.2
78597	Isotope_Atom_Count	0
98323	Defined_Bond_Stereo_Count	0
5421897	Undefined_Atom_Stereo_Count	0
5297	Covalent_Unit_Count	1
11332442	Defined_Bond_Stereo_Count	0
751496	Total_Formal_Charge	0
50986209	Covalent_Unit_Count	1
57486971	Undefined_Atom_Stereo_Count	0
76989	Hydrogen_Bond_Acceptor_Count	0
636367	Exact_Mass	193.05863707
38350	Undefined_Atom_Stereo_Count	0
420	Defined_Bond_Stereo_Count	0
6324	Hydrogen_Bond_Donor_Count	0
69270	TPSA	46.3
135529433	Non-hydrogen_Atom_Count	15
59504979	Structure_Complexity	138
3433	Isotope_Atom_Count	0
35949	Hydrogen_Bond_Donor_Count	0
13408099	Mono_Isotopic_Weight	261.0556563
91071011	Covalent_Unit_Count	1
201136	Tautomer_Count	1
154911	Mono_Isotopic_Weight	247.9845081
60196360	Defined_Bond_Stereo_Count	0
13084	Defined_Atom_Stereo_Count	0
10866290	Structure_Complexity	114
61908709	Non-hydrogen_Atom_Count	8
398731	Total_Formal_Charge	0
76168	Exact_Mass	318.0326684
3080938	Tautomer_Count	1
13931173	Isotope_Atom_Count	0
13814319	Structure_Complexity	53.2
11081093	Covalent_Unit_Count	1
14195	Defined_Atom_Stereo_Count	0
11550045	Total_Formal_Charge	0
502272	Structure_Complexity	532
3036222	Hydrogen_Bond_Acceptor_Count	2
438424	Structure_Complexity	571
101080369	Defined_Atom_Stereo_Count	0
442076	Rotatable_Bond_Count	4
285033	Defined_Atom_Stereo_Count	4
5486971	Defined_Atom_Stereo_Count	1
53806232	Isotope_Atom_Count	0
9378	Isotope_Atom_Count	0
6918331	Mono_Isotopic_Weight	432.18854386
681809	Mono_Isotopic_Weight	329.12632271
11196935	Hydrogen_Bond_Acceptor_Count	2
89239	Non-hydrogen_Atom_Count	8
20024	Structure_Complexity	30.6
955	Tautomer_Count	2
3713609	Isotope_Atom_Count	0
6451	Total_Formal_Charge	0
54698175	Tautomer_Count	3
151419	Undefined_Atom_Stereo_Count	0
890070	Rotatable_Bond_Count	3
14569	Undefined_Atom_Stereo_Count	0
292	Undefined_Atom_Stereo_Count	9
60585	Covalent_Unit_Count	2
16129665	Undefined_Bond_Stereo_Count	0
70717	Undefined_Bond_Stereo_Count	0
7825	Defined_Bond_Stereo_Count	0
118924468	Hydrogen_Bond_Donor_Count	5
311438	Undefined_Atom_Stereo_Count	0
3683036	Rotatable_Bond_Count	4
9064	Rotatable_Bond_Count	1
54610537	Covalent_Unit_Count	2
5496540	Hydrogen_Bond_Donor_Count	22
2562	Undefined_Bond_Stereo_Count	0
11225217	Isotope_Atom_Count	0
108199	Hydrogen_Bond_Acceptor_Count	3
51392	Hydrogen_Bond_Acceptor_Count	2
11610	Non-hydrogen_Atom_Count	7
134436906	Defined_Bond_Stereo_Count	0
12059921	Hydrogen_Bond_Acceptor_Count	1
105131	Rotatable_Bond_Count	1
11752	Undefined_Atom_Stereo_Count	0
5224206	Hydrogen_Bond_Donor_Count	0
10621	Covalent_Unit_Count	1
2352168	Undefined_Bond_Stereo_Count	0
123942782	Defined_Atom_Stereo_Count	0
3180	Isotope_Atom_Count	0
6568	XLogP3	0.6
57398253	Molecular_Weight	440.6
53988715	Hydrogen_Bond_Acceptor_Count	3
16687076	Undefined_Bond_Stereo_Count	0
7131616	Hydrogen_Bond_Donor_Count	2
11969781	Rotatable_Bond_Count	7
12228	Undefined_Atom_Stereo_Count	0
15639205	Exact_Mass	104.037448136
53914181	Rotatable_Bond_Count	2
963389	Defined_Atom_Stereo_Count	0
9433	Exact_Mass	420.19819929
74739	Total_Formal_Charge	0
9983746	Rotatable_Bond_Count	3
3752	Molecular_Weight	256.09
32995	Exact_Mass	220.121177757
26070	Exact_Mass	133.089149355
72568	Structure_Complexity	322
443880	TPSA	89.9
55352	Defined_Bond_Stereo_Count	0
59296094	Exact_Mass	480.1564330
18032	Exact_Mass	322.05652664
33184	TPSA	41.1
135522417	Covalent_Unit_Count	1
70217	Defined_Atom_Stereo_Count	0
54078821	Hydrogen_Bond_Acceptor_Count	2
55993	Tautomer_Count	1
9765	Rotatable_Bond_Count	5
70588255	Covalent_Unit_Count	1
68234591	Defined_Atom_Stereo_Count	0
55261	Non-hydrogen_Atom_Count	9
11258980	TPSA	92.3
102135084	Isotope_Atom_Count	0
6438729	Mono_Isotopic_Weight	332.23514488
24721356	Tautomer_Count	970
1519	Undefined_Bond_Stereo_Count	0
9852904	Molecular_Weight	678.6
88043	Rotatable_Bond_Count	1
4695	Total_Formal_Charge	1
5603	Exact_Mass	115.136099547
72200038	Defined_Bond_Stereo_Count	0
8308	Isotope_Atom_Count	0
84715998	Isotope_Atom_Count	0
54472110	Defined_Bond_Stereo_Count	0
57507	Hydrogen_Bond_Donor_Count	1
20387231	Mono_Isotopic_Weight	99.104799419
1550888	Covalent_Unit_Count	1
22817455	Undefined_Bond_Stereo_Count	0
12201380	Hydrogen_Bond_Donor_Count	0
138005	Non-hydrogen_Atom_Count	17
598330	Total_Formal_Charge	0
3628	Total_Formal_Charge	0
55286482	Molecular_Weight	114.10
11263727	Undefined_Bond_Stereo_Count	0
76223588	Mono_Isotopic_Weight	101.084063974
66383	Rotatable_Bond_Count	12
933	TPSA	47.9
86599	Hydrogen_Bond_Donor_Count	0
1993	Undefined_Bond_Stereo_Count	0
1795	Exact_Mass	299.1261359
71683044	Covalent_Unit_Count	1
118210118	Exact_Mass	100.052429494
129692694	Molecular_Weight	110.15
12977	Isotope_Atom_Count	0
44145344	Non-hydrogen_Atom_Count	72
91708	Total_Formal_Charge	0
15273523	Undefined_Atom_Stereo_Count	0
118346510	Defined_Bond_Stereo_Count	0
15942892	Hydrogen_Bond_Donor_Count	1
5365125	Rotatable_Bond_Count	16
20784398	Rotatable_Bond_Count	2
10431444	Mono_Isotopic_Weight	406.11110444
62305	Exact_Mass	520.0471473
3137	Defined_Bond_Stereo_Count	0
131801164	Rotatable_Bond_Count	7
186068	Undefined_Atom_Stereo_Count	0
12495133	Total_Formal_Charge	0
60837	Non-hydrogen_Atom_Count	47
6604557	Defined_Bond_Stereo_Count	0
165363121	Undefined_Bond_Stereo_Count	0
57656729	Undefined_Atom_Stereo_Count	1
88709052	Undefined_Atom_Stereo_Count	2
65675	Undefined_Atom_Stereo_Count	0
499953	Mono_Isotopic_Weight	406.19915329
34327	Hydrogen_Bond_Acceptor_Count	0
5364420	Molecular_Weight	326.5
13772685	Hydrogen_Bond_Acceptor_Count	1
322968	Isotope_Atom_Count	0
20585	TPSA	89.5
157754	Undefined_Atom_Stereo_Count	0
12398389	Isotope_Atom_Count	0
54496696	Defined_Atom_Stereo_Count	0
218360	Isotope_Atom_Count	0
604767	XLogP3-AA	1.7
46780884	Defined_Atom_Stereo_Count	0
11815824	XLogP3-AA	1.5
132274874	Total_Formal_Charge	0
14436067	XLogP3-AA	1
81476	Undefined_Atom_Stereo_Count	0
28369	Covalent_Unit_Count	1
176864	Hydrogen_Bond_Donor_Count	1
46085	Defined_Bond_Stereo_Count	0
20849107	XLogP3	3.4
95145	Undefined_Bond_Stereo_Count	0
72187524	Undefined_Bond_Stereo_Count	0
5460495	Structure_Complexity	90.4
5280451	Structure_Complexity	138
75828	Mono_Isotopic_Weight	265.89008
17242	Rotatable_Bond_Count	9
91322204	Total_Formal_Charge	0
19920	Covalent_Unit_Count	1
96476	Hydrogen_Bond_Acceptor_Count	1
414243	Structure_Complexity	72.8
4015	Molecular_Weight	299.32
23667630	Non-hydrogen_Atom_Count	30
170295	Rotatable_Bond_Count	9
70269	Molecular_Weight	127.10
73030065	Covalent_Unit_Count	2
24802529	Covalent_Unit_Count	1
6444037	Undefined_Atom_Stereo_Count	0
12084878	Exact_Mass	102.068079557
49868370	XLogP3	0.9
69602	Non-hydrogen_Atom_Count	11
16757730	Non-hydrogen_Atom_Count	22
76280	TPSA	23.8
164034646	Mono_Isotopic_Weight	100.063662883
6433547	Defined_Atom_Stereo_Count	0
44586473	Total_Formal_Charge	0
123252943	Molecular_Weight	114.15
55220664	Defined_Atom_Stereo_Count	0
523523	XLogP3-AA	2.3
53494692	XLogP3-AA	2.9
486543	Structure_Complexity	880
65758	XLogP3-AA	3
10384141	XLogP3-AA	1.7
67379186	Hydrogen_Bond_Acceptor_Count	4
25982	Structure_Complexity	75.3
12545984	Non-hydrogen_Atom_Count	7
637939	Hydrogen_Bond_Acceptor_Count	1
68066	TPSA	130
69695	Defined_Bond_Stereo_Count	0
71586929	Rotatable_Bond_Count	3
555949	XLogP3-AA	0.9
227430	Hydrogen_Bond_Donor_Count	0
164512	Isotope_Atom_Count	0
9818287	Covalent_Unit_Count	1
25117126	Defined_Atom_Stereo_Count	0
56962336	Rotatable_Bond_Count	10
292659	Undefined_Atom_Stereo_Count	0
637584	Covalent_Unit_Count	1
71305059	Isotope_Atom_Count	0
86017	Non-hydrogen_Atom_Count	16
71343994	Defined_Atom_Stereo_Count	0
24871329	Exact_Mass	639.8696636
132228	Undefined_Bond_Stereo_Count	0
709156	Hydrogen_Bond_Acceptor_Count	3
15466978	Total_Formal_Charge	0
5364079	Undefined_Bond_Stereo_Count	0
12507	Covalent_Unit_Count	1
135565574	Exact_Mass	547.0233748
16656	Exact_Mass	128.156500638
5052860	Covalent_Unit_Count	1
40466932	Defined_Atom_Stereo_Count	2
2463138	Undefined_Atom_Stereo_Count	0
522731	Defined_Atom_Stereo_Count	0
5967	Non-hydrogen_Atom_Count	42
61865004	Rotatable_Bond_Count	3
89555	Hydrogen_Bond_Donor_Count	0
15811016	Covalent_Unit_Count	3
58093	Molecular_Weight	217.10
71141	Non-hydrogen_Atom_Count	33
87919798	Exact_Mass	106.053098200
3081	Covalent_Unit_Count	1
12672856	Undefined_Atom_Stereo_Count	1
123519634	Non-hydrogen_Atom_Count	8
12539494	Exact_Mass	94.078250319
62827	Isotope_Atom_Count	0
5951	Total_Formal_Charge	0
630	Tautomer_Count	4
10197665	Rotatable_Bond_Count	0
13973072	Total_Formal_Charge	0
18522786	Defined_Bond_Stereo_Count	0
54037464	Undefined_Atom_Stereo_Count	0
36744	Hydrogen_Bond_Acceptor_Count	1
99472	Mono_Isotopic_Weight	316.20384475
656636	Covalent_Unit_Count	1
46164	Isotope_Atom_Count	0
22315763	Covalent_Unit_Count	1
68149181	Defined_Atom_Stereo_Count	0
54477179	Exact_Mass	118.02660867
189003	Non-hydrogen_Atom_Count	12
5535	TPSA	378
10404	Mono_Isotopic_Weight	241.95636425
4141783	Isotope_Atom_Count	0
96238	Mono_Isotopic_Weight	124.088815002
6919014	Structure_Complexity	399
135452521	Undefined_Atom_Stereo_Count	0
285666	Tautomer_Count	5
2763275	Mono_Isotopic_Weight	110.059246208
75103	Structure_Complexity	24.7
9570438	XLogP3-AA	3.8
5280492	Hydrogen_Bond_Donor_Count	3
3037981	Covalent_Unit_Count	1
441407	Non-hydrogen_Atom_Count	30
5246258	Molecular_Weight	108.16
90470	Molecular_Weight	112.13
2282	Rotatable_Bond_Count	10
11231942	Hydrogen_Bond_Acceptor_Count	2
73918	Molecular_Weight	154.25
148127	Undefined_Atom_Stereo_Count	0
638081	Structure_Complexity	121
5271566	Defined_Atom_Stereo_Count	0
17754772	Exact_Mass	306.15929460
590130	Hydrogen_Bond_Acceptor_Count	2
6451325	Defined_Atom_Stereo_Count	4
6603740	Non-hydrogen_Atom_Count	23
5360970	Hydrogen_Bond_Acceptor_Count	4
22310945	Undefined_Bond_Stereo_Count	0
443971	Mono_Isotopic_Weight	216.05108644
71459166	Undefined_Bond_Stereo_Count	0
22843	Undefined_Bond_Stereo_Count	0
5284595	Rotatable_Bond_Count	2
12102501	Molecular_Weight	112.13
516	Defined_Bond_Stereo_Count	0
6603720	Tautomer_Count	4
21659832	Molecular_Weight	117.10
22617237	TPSA	81.5
91667835	Molecular_Weight	415.6
153643637	Defined_Bond_Stereo_Count	0
92023654	Hydrogen_Bond_Donor_Count	7
13611195	Mono_Isotopic_Weight	108.093900383
129317846	Defined_Bond_Stereo_Count	0
10683	Tautomer_Count	2
37865	Non-hydrogen_Atom_Count	21
24490	Tautomer_Count	1
24818	Hydrogen_Bond_Acceptor_Count	0
58423153	Tautomer_Count	3
53860785	Molecular_Weight	117.15
65856	Hydrogen_Bond_Acceptor_Count	4
6378383	Undefined_Atom_Stereo_Count	0
45085421	Structure_Complexity	101
44521017	Structure_Complexity	427
138394518	Covalent_Unit_Count	1
54688683	Molecular_Weight	626.7
65871	TPSA	113
42070	Isotope_Atom_Count	0
66603137	Exact_Mass	110.073164938
619387	Defined_Bond_Stereo_Count	0
50981	Total_Formal_Charge	0
10342	Undefined_Bond_Stereo_Count	0
9548816	TPSA	102
95202	Hydrogen_Bond_Acceptor_Count	4
102063302	Isotope_Atom_Count	0
33558	Undefined_Bond_Stereo_Count	0
20977	XLogP3-AA	0.5
3446	Hydrogen_Bond_Acceptor_Count	3
72199539	XLogP3-AA	4.4
15629	Covalent_Unit_Count	1
54901	Defined_Bond_Stereo_Count	0
133268492	Total_Formal_Charge	0
16323	Undefined_Bond_Stereo_Count	0
6064	Hydrogen_Bond_Donor_Count	2
65877	Hydrogen_Bond_Donor_Count	1
44392161	Non-hydrogen_Atom_Count	34
139906410	Rotatable_Bond_Count	1
9818231	Hydrogen_Bond_Donor_Count	1
443101	Undefined_Atom_Stereo_Count	0
10138259	Hydrogen_Bond_Acceptor_Count	6
135926580	Covalent_Unit_Count	1
15413224	Hydrogen_Bond_Donor_Count	3
987917	Undefined_Atom_Stereo_Count	0
1549026	Structure_Complexity	233
16058752	Defined_Bond_Stereo_Count	0
17354	Defined_Bond_Stereo_Count	0
1551553	Hydrogen_Bond_Acceptor_Count	4
51357128	Hydrogen_Bond_Donor_Count	1
15529	Defined_Bond_Stereo_Count	0
6136	Defined_Bond_Stereo_Count	0
13642201	Hydrogen_Bond_Donor_Count	1
67633081	Non-hydrogen_Atom_Count	8
90208	Non-hydrogen_Atom_Count	8
1422	Defined_Atom_Stereo_Count	0
21014417	Total_Formal_Charge	0
11263478	Molecular_Weight	110.15
5770	Hydrogen_Bond_Donor_Count	1
6059	Undefined_Atom_Stereo_Count	0
72199540	Rotatable_Bond_Count	15
446355	Mono_Isotopic_Weight	209.06880783
192154	Hydrogen_Bond_Donor_Count	0
148007841	Undefined_Bond_Stereo_Count	0
27368	Undefined_Atom_Stereo_Count	1
4336361	Non-hydrogen_Atom_Count	22
32413	Undefined_Atom_Stereo_Count	0
10027781	Covalent_Unit_Count	1
82755	Total_Formal_Charge	0
11593706	Hydrogen_Bond_Acceptor_Count	5
20979505	Structure_Complexity	132
163646941	Exact_Mass	101.084063974
402035	Hydrogen_Bond_Donor_Count	0
19385647	Hydrogen_Bond_Acceptor_Count	2
160757343	Undefined_Atom_Stereo_Count	2
91016264	Structure_Complexity	173
11303	Isotope_Atom_Count	0
27423	Undefined_Bond_Stereo_Count	0
8153	Rotatable_Bond_Count	11
66602654	Non-hydrogen_Atom_Count	8
9806063	Covalent_Unit_Count	4
123205882	Defined_Bond_Stereo_Count	0
10931394	Defined_Bond_Stereo_Count	0
634423	Structure_Complexity	835
165367979	Rotatable_Bond_Count	12
8006	Hydrogen_Bond_Acceptor_Count	0
855556	Non-hydrogen_Atom_Count	20
11227182	Undefined_Atom_Stereo_Count	0
130025161	Total_Formal_Charge	0
8809	XLogP3-AA	4.6
12576852	Molecular_Weight	112.13
6180	Undefined_Atom_Stereo_Count	1
11953804	Covalent_Unit_Count	1
3731	Rotatable_Bond_Count	10
517	Undefined_Atom_Stereo_Count	4
14500	Hydrogen_Bond_Donor_Count	1
6853	Hydrogen_Bond_Acceptor_Count	0
20162	Total_Formal_Charge	0
197281	Total_Formal_Charge	0
168870	Exact_Mass	659.29888458
18392	Structure_Complexity	98.5
20116902	Undefined_Atom_Stereo_Count	2
22281319	Isotope_Atom_Count	0
5386	Isotope_Atom_Count	0
13361618	Hydrogen_Bond_Donor_Count	1
1376	Total_Formal_Charge	0
83975	Structure_Complexity	639
6356	Covalent_Unit_Count	1
11974215	Exact_Mass	511.22309724
431249	Structure_Complexity	668
57185798	Isotope_Atom_Count	0
162883447	TPSA	272
9087	Total_Formal_Charge	0
303830	Total_Formal_Charge	0
32451	Defined_Atom_Stereo_Count	0
72392	Tautomer_Count	1
6917779	Molecular_Weight	246.35
146156882	Defined_Atom_Stereo_Count	5
55784	Rotatable_Bond_Count	5
53992	Undefined_Bond_Stereo_Count	0
89312617	Non-hydrogen_Atom_Count	7
8477	Rotatable_Bond_Count	2
59296010	Non-hydrogen_Atom_Count	33
3081078	Hydrogen_Bond_Acceptor_Count	2
40466858	Hydrogen_Bond_Donor_Count	1
85695	Undefined_Bond_Stereo_Count	0
67916	Undefined_Atom_Stereo_Count	0
20333380	Rotatable_Bond_Count	0
140956	Non-hydrogen_Atom_Count	13
86171	Undefined_Bond_Stereo_Count	0
24066917	Exact_Mass	223.157228913
2887	Structure_Complexity	1270
25203400	Structure_Complexity	84.7
372	Total_Formal_Charge	0
2723598	Defined_Bond_Stereo_Count	0
571	Isotope_Atom_Count	0
16748289	XLogP3-AA	2.4
141225356	Rotatable_Bond_Count	8
2762809	Hydrogen_Bond_Donor_Count	1
97865	Defined_Atom_Stereo_Count	0
25563891	Undefined_Bond_Stereo_Count	0
129691409	Hydrogen_Bond_Donor_Count	3
53518	Hydrogen_Bond_Acceptor_Count	6
29124	Hydrogen_Bond_Acceptor_Count	4
10048011	Structure_Complexity	552
93104	Defined_Atom_Stereo_Count	0
21680724	Undefined_Bond_Stereo_Count	0
22643188	Total_Formal_Charge	0
3141	Defined_Atom_Stereo_Count	0
595230	Non-hydrogen_Atom_Count	12
71587831	Undefined_Bond_Stereo_Count	0
67050751	Exact_Mass	102.079312947
501728	Defined_Atom_Stereo_Count	7
124201618	Defined_Atom_Stereo_Count	5
44144	Undefined_Bond_Stereo_Count	0
3037	Rotatable_Bond_Count	2
20470622	Defined_Atom_Stereo_Count	0
24715	Isotope_Atom_Count	0
162236685	Defined_Bond_Stereo_Count	0
54680695	Tautomer_Count	8
21484	Isotope_Atom_Count	0
4822	Rotatable_Bond_Count	0
21996040	Exact_Mass	114.104465066
44560080	Total_Formal_Charge	0
56846351	Total_Formal_Charge	0
53724680	TPSA	12
448071	Undefined_Atom_Stereo_Count	0
135718449	Defined_Atom_Stereo_Count	0
13315542	Defined_Atom_Stereo_Count	0
25099474	Molecular_Weight	361.4
44560911	Isotope_Atom_Count	0
2724054	Mono_Isotopic_Weight	408.19501140
9543026	Molecular_Weight	821.6
439498	Non-hydrogen_Atom_Count	11
3955344	Rotatable_Bond_Count	1
132281459	Defined_Bond_Stereo_Count	0
21720414	Exact_Mass	112.088815002
15981292	Undefined_Atom_Stereo_Count	0
13107533	Defined_Atom_Stereo_Count	0
75987	Defined_Bond_Stereo_Count	0
60769	TPSA	67.9
12435	Defined_Bond_Stereo_Count	0
5879	Isotope_Atom_Count	0
72370	Undefined_Bond_Stereo_Count	0
54765302	Exact_Mass	375.15513817
25056	Covalent_Unit_Count	1
220705	Exact_Mass	85.052763847
63404	Isotope_Atom_Count	0
146159501	Defined_Atom_Stereo_Count	1
68653619	Undefined_Bond_Stereo_Count	0
123195542	Structure_Complexity	74.2
147686610	Covalent_Unit_Count	1
6918242	Total_Formal_Charge	0
37274	Defined_Atom_Stereo_Count	0
68027	Exact_Mass	237.86273
16760207	Structure_Complexity	361
721395	Molecular_Weight	262.26
165412951	Covalent_Unit_Count	1
22450283	Isotope_Atom_Count	0
463694	Mono_Isotopic_Weight	272.07970687
6449939	Total_Formal_Charge	0
439998	Isotope_Atom_Count	0
86429	Rotatable_Bond_Count	5
11350631	Molecular_Weight	418.7
5524	Molecular_Weight	215.29
12452075	Mono_Isotopic_Weight	94.041864811
37049	Molecular_Weight	342.5
6335986	Hydrogen_Bond_Acceptor_Count	11
6992041	TPSA	160
152413	Molecular_Weight	582.0
78148	Mono_Isotopic_Weight	81.057849228
54582799	Structure_Complexity	267
39521	Undefined_Bond_Stereo_Count	0
5281250	Mono_Isotopic_Weight	1044.88736218
89159	Covalent_Unit_Count	1
11370864	Tautomer_Count	1
82418997	Hydrogen_Bond_Donor_Count	0
53420268	Hydrogen_Bond_Donor_Count	0
25008593	Rotatable_Bond_Count	7
11073219	Structure_Complexity	1340
25069561	Undefined_Atom_Stereo_Count	0
6442928	Mono_Isotopic_Weight	408.15326573
637927	Mono_Isotopic_Weight	88.052429494
2061	Covalent_Unit_Count	1
62669683	Defined_Bond_Stereo_Count	0
21608699	Molecular_Weight	290.4
40781	Exact_Mass	309.993027
8630	Tautomer_Count	1
107561	Non-hydrogen_Atom_Count	11
170327	XLogP3-AA	7.7
11418570	TPSA	283
104955	Non-hydrogen_Atom_Count	28
40361	Structure_Complexity	287
18139	Undefined_Bond_Stereo_Count	0
5466139	Undefined_Atom_Stereo_Count	0
61185	Molecular_Weight	214.34
4771	Undefined_Bond_Stereo_Count	0
67108207	Molecular_Weight	316.82
78979	XLogP3-AA	3
92231	Covalent_Unit_Count	1
16732313	Undefined_Bond_Stereo_Count	0
6704	XLogP3	3.2
10402760	Defined_Bond_Stereo_Count	0
123868	Non-hydrogen_Atom_Count	10
60574	Isotope_Atom_Count	0
705877	Non-hydrogen_Atom_Count	25
5363097	Isotope_Atom_Count	0
9376	Rotatable_Bond_Count	5
4002	Hydrogen_Bond_Acceptor_Count	3
101938021	Undefined_Atom_Stereo_Count	0
123642549	Total_Formal_Charge	0
6436658	Exact_Mass	1000.2835107
10197650	Tautomer_Count	1
84598	Rotatable_Bond_Count	0
2187	Isotope_Atom_Count	0
410214	Undefined_Atom_Stereo_Count	0
141010	Defined_Bond_Stereo_Count	0
46835340	Total_Formal_Charge	0
135445761	Hydrogen_Bond_Donor_Count	1
46455	Total_Formal_Charge	0
24842	Undefined_Atom_Stereo_Count	0
73894	Molecular_Weight	86.013
9850430	Defined_Bond_Stereo_Count	0
23724935	Structure_Complexity	447
23675747	Hydrogen_Bond_Acceptor_Count	4
22833547	Exact_Mass	398.99676
71716733	Rotatable_Bond_Count	6
630227	Covalent_Unit_Count	1
9935274	Total_Formal_Charge	0
53326032	XLogP3-AA	1.8
13029605	Covalent_Unit_Count	1
11574	TPSA	0
1123	Total_Formal_Charge	0
22091090	Undefined_Bond_Stereo_Count	0
27200	Covalent_Unit_Count	1
14445624	Exact_Mass	113.058911855
24946105	TPSA	108
19083156	TPSA	97.2
23488	Exact_Mass	181.089149355
512138	Isotope_Atom_Count	0
6757	Covalent_Unit_Count	1
24729360	Defined_Atom_Stereo_Count	4
33353	Rotatable_Bond_Count	5
14079	Mono_Isotopic_Weight	109.052763847
22038	Undefined_Atom_Stereo_Count	2
131853715	Mono_Isotopic_Weight	113.084063974
5280608	XLogP3-AA	0.6
441371	Structure_Complexity	1550
60196379	TPSA	94.8
70692444	Molecular_Weight	291.5
3381	Defined_Bond_Stereo_Count	0
139584807	Defined_Bond_Stereo_Count	1
201734	Hydrogen_Bond_Acceptor_Count	3
663894	Structure_Complexity	667
5283321	Undefined_Bond_Stereo_Count	0
55288133	Defined_Bond_Stereo_Count	0
18868	Hydrogen_Bond_Donor_Count	1
12729	Mono_Isotopic_Weight	212.177630004
12272373	Hydrogen_Bond_Donor_Count	0
43667	Molecular_Weight	214.31
8778	Exact_Mass	266.15518048
5280460	Molecular_Weight	192.17
17771	Molecular_Weight	421.75
54581775	Defined_Atom_Stereo_Count	0
3440	Total_Formal_Charge	0
11073348	Exact_Mass	97.052763847
70480850	Structure_Complexity	68.9
146160332	Undefined_Atom_Stereo_Count	4
208922	Rotatable_Bond_Count	4
12289749	Defined_Atom_Stereo_Count	0
90393	Exact_Mass	283.157228913
46783812	Covalent_Unit_Count	5
91751	Defined_Bond_Stereo_Count	0
137203329	Hydrogen_Bond_Donor_Count	2
33778657	Hydrogen_Bond_Acceptor_Count	4
10991489	Total_Formal_Charge	0
405741	Molecular_Weight	300.4
21680713	Structure_Complexity	634
66683200	Rotatable_Bond_Count	1
10986305	Hydrogen_Bond_Acceptor_Count	3
64648	Total_Formal_Charge	0
13379958	Covalent_Unit_Count	1
17132	Non-hydrogen_Atom_Count	13
76398	Structure_Complexity	82.2
126977538	Molecular_Weight	112.13
59296099	Non-hydrogen_Atom_Count	32
45874	Hydrogen_Bond_Donor_Count	0
163640634	Defined_Bond_Stereo_Count	0
213043	Rotatable_Bond_Count	5
66082	Total_Formal_Charge	0
519112	Mono_Isotopic_Weight	600.14924298
52993227	Mono_Isotopic_Weight	651.146144
9949648	Covalent_Unit_Count	1
72142	Rotatable_Bond_Count	5
1547484	XLogP3	5.8
3041255	Hydrogen_Bond_Donor_Count	2
72589	Non-hydrogen_Atom_Count	18
13661819	Non-hydrogen_Atom_Count	7
6271	Undefined_Bond_Stereo_Count	0
2082	Isotope_Atom_Count	0
3516	Undefined_Bond_Stereo_Count	0
62275	Isotope_Atom_Count	0
24835641	Hydrogen_Bond_Donor_Count	8
132263855	Non-hydrogen_Atom_Count	23
141315890	Undefined_Bond_Stereo_Count	0
23647685	TPSA	186
445715	Total_Formal_Charge	0
62328	Rotatable_Bond_Count	4
34533	Rotatable_Bond_Count	3
137212229	Defined_Bond_Stereo_Count	0
15475283	Undefined_Atom_Stereo_Count	0
93519	Total_Formal_Charge	0
54372438	XLogP3-AA	0.3
825877	Undefined_Bond_Stereo_Count	0
281459	Defined_Atom_Stereo_Count	0
13527	Structure_Complexity	57.4
3018793	Covalent_Unit_Count	1
23843	TPSA	52.5
129854350	Mono_Isotopic_Weight	110.048012819
1525	Hydrogen_Bond_Acceptor_Count	11
2075	Undefined_Bond_Stereo_Count	0
96772	TPSA	163
48758	Total_Formal_Charge	0
1222	Structure_Complexity	271
25254	Isotope_Atom_Count	0
21157625	Hydrogen_Bond_Donor_Count	0
172313	Mono_Isotopic_Weight	339.99604987
77751	XLogP3-AA	2.9
33630	Mono_Isotopic_Weight	523.1701330
1969	Tautomer_Count	1
16051995	Non-hydrogen_Atom_Count	53
51051629	Undefined_Bond_Stereo_Count	0
13422580	Defined_Atom_Stereo_Count	18
17480032	Structure_Complexity	313
73672	Non-hydrogen_Atom_Count	24
197344	Structure_Complexity	388
644109	Covalent_Unit_Count	1
35908	TPSA	41.6
7875	Total_Formal_Charge	0
30097	Rotatable_Bond_Count	4
9335	Covalent_Unit_Count	1
433902	Rotatable_Bond_Count	13
39230	XLogP3	4.5
45190	Total_Formal_Charge	0
136648	Tautomer_Count	1
29976098	Rotatable_Bond_Count	0
6567	Rotatable_Bond_Count	1
6082	Defined_Bond_Stereo_Count	0
4517	XLogP3-AA	0.2
22580	Hydrogen_Bond_Donor_Count	3
34230	Tautomer_Count	1
31075	Non-hydrogen_Atom_Count	22
9868	Non-hydrogen_Atom_Count	5
34633	Isotope_Atom_Count	0
23657874	Defined_Bond_Stereo_Count	0
60150330	TPSA	63.3
19787479	TPSA	17.1
12023383	Exact_Mass	102.068079557
22137188	Total_Formal_Charge	0
9877	Mono_Isotopic_Weight	147.9902769
181978	Covalent_Unit_Count	3
60926	Structure_Complexity	749
154544	Tautomer_Count	19
17520	Undefined_Bond_Stereo_Count	0
70687254	Undefined_Bond_Stereo_Count	0
18952320	Total_Formal_Charge	0
67292089	Non-hydrogen_Atom_Count	35
6597	Non-hydrogen_Atom_Count	6
6791	XLogP3	2.1
6708461	Hydrogen_Bond_Acceptor_Count	16
19736124	Defined_Atom_Stereo_Count	0
12295224	Total_Formal_Charge	0
76487	Undefined_Atom_Stereo_Count	0
91759533	Isotope_Atom_Count	0
436520	XLogP3-AA	8.7
963715	Hydrogen_Bond_Donor_Count	1
446400	XLogP3-AA	6.8
5311023	XLogP3-AA	2.5
25199890	Hydrogen_Bond_Acceptor_Count	14
135013065	Defined_Atom_Stereo_Count	0
6917700	XLogP3-AA	1.8
5376733	Rotatable_Bond_Count	4
17994055	Structure_Complexity	77.7
86811394	Defined_Bond_Stereo_Count	0
58516110	Total_Formal_Charge	1
7677	Defined_Bond_Stereo_Count	0
13392742	Undefined_Atom_Stereo_Count	0
10309899	Isotope_Atom_Count	0
71512	TPSA	26.3
45073437	Hydrogen_Bond_Acceptor_Count	2
16220188	Non-hydrogen_Atom_Count	29
3002120	XLogP3-AA	2.7
15786916	Non-hydrogen_Atom_Count	3
136920818	Hydrogen_Bond_Acceptor_Count	3
10460	Tautomer_Count	1
688323	Exact_Mass	238.204513457
5464344	Hydrogen_Bond_Acceptor_Count	7
33944	Tautomer_Count	1
21218	Defined_Atom_Stereo_Count	0
13568501	Non-hydrogen_Atom_Count	8
92321	Hydrogen_Bond_Acceptor_Count	4
30815	Mono_Isotopic_Weight	169.0294416
137347880	Undefined_Bond_Stereo_Count	0
601577	Tautomer_Count	3
25001849	Structure_Complexity	623
135566032	Exact_Mass	718.24612074
93193	Molecular_Weight	128.17
91884833	Structure_Complexity	688
17572266	Covalent_Unit_Count	1
11624518	XLogP3-AA	3.9
5076	Undefined_Bond_Stereo_Count	0
123135747	Structure_Complexity	905
6914273	Mono_Isotopic_Weight	314.06511943
86305	Rotatable_Bond_Count	5
14336	Mono_Isotopic_Weight	243.98876
74411	Structure_Complexity	462
148195	Structure_Complexity	790
95763	Rotatable_Bond_Count	1
23931	Total_Formal_Charge	0
5284534	TPSA	183
25102936	Defined_Bond_Stereo_Count	0
154734215	Hydrogen_Bond_Acceptor_Count	11
10510829	Hydrogen_Bond_Donor_Count	1
2807869	Mono_Isotopic_Weight	224.00780523
150986	Structure_Complexity	616
123611	Hydrogen_Bond_Acceptor_Count	52
136582	Non-hydrogen_Atom_Count	7
70652	Rotatable_Bond_Count	4
11688573	Undefined_Atom_Stereo_Count	0
443879	Molecular_Weight	325.5
548521	XLogP3-AA	0.4
5242388	Structure_Complexity	114
528612	Non-hydrogen_Atom_Count	8
19736100	Exact_Mass	140.00827326
216247	Covalent_Unit_Count	1
13710569	Molecular_Weight	80.13
55255285	Undefined_Atom_Stereo_Count	1
5361192	Rotatable_Bond_Count	9
12385064	Non-hydrogen_Atom_Count	8
89446525	Structure_Complexity	180
166592	TPSA	166
4752	Non-hydrogen_Atom_Count	55
71583051	Structure_Complexity	614
165339206	Undefined_Atom_Stereo_Count	0
29959	Molecular_Weight	211.15
71464587	Structure_Complexity	517
10409	Undefined_Atom_Stereo_Count	0
9845622	Mono_Isotopic_Weight	431.15801676
16217248	Mono_Isotopic_Weight	115.099714038
6004	Undefined_Atom_Stereo_Count	0
7172	Mono_Isotopic_Weight	167.094628657
91400094	Rotatable_Bond_Count	6
70697627	Defined_Bond_Stereo_Count	0
29761	Defined_Atom_Stereo_Count	0
54239389	Molecular_Weight	114.17
443939	TPSA	206
59768	Tautomer_Count	1
54455096	Hydrogen_Bond_Acceptor_Count	2
648601	Mono_Isotopic_Weight	257.10519334
5193	Undefined_Atom_Stereo_Count	1
12556661	Hydrogen_Bond_Acceptor_Count	0
444006	Isotope_Atom_Count	0
63312	Undefined_Bond_Stereo_Count	0
2736145	Non-hydrogen_Atom_Count	11
57939635	Undefined_Atom_Stereo_Count	0
53297383	Structure_Complexity	300
12762328	Defined_Bond_Stereo_Count	0
57541295	Defined_Atom_Stereo_Count	2
54321	Rotatable_Bond_Count	4
19846	Covalent_Unit_Count	1
15982149	XLogP3-AA	0.2
92136216	Hydrogen_Bond_Acceptor_Count	14
7182	Defined_Atom_Stereo_Count	0
159550	Defined_Atom_Stereo_Count	0
659218	TPSA	80.7
9808	Rotatable_Bond_Count	1
8722	Undefined_Bond_Stereo_Count	0
3795601	TPSA	35.9
25011728	Molecular_Weight	419.8
55008	Rotatable_Bond_Count	26
70697255	Rotatable_Bond_Count	17
668621	Rotatable_Bond_Count	3
137207	Covalent_Unit_Count	1
24848375	Structure_Complexity	466
18736159	Non-hydrogen_Atom_Count	8
70697352	Total_Formal_Charge	0
44596	Molecular_Weight	129.24
15016062	Exact_Mass	278.14528450
984465	Structure_Complexity	798
57417192	TPSA	231
12508224	Hydrogen_Bond_Acceptor_Count	1
129627774	Mono_Isotopic_Weight	1033.54575866
10103118	Covalent_Unit_Count	1
11419335	Mono_Isotopic_Weight	441.20524173
135882	Non-hydrogen_Atom_Count	18
135430945	Defined_Bond_Stereo_Count	0
21779240	Undefined_Atom_Stereo_Count	0
12011	Defined_Bond_Stereo_Count	0
687044	Defined_Atom_Stereo_Count	1
1167	Total_Formal_Charge	0
71140	TPSA	47.3
10345790	Molecular_Weight	498.3
31233	Defined_Bond_Stereo_Count	0
135484646	Hydrogen_Bond_Acceptor_Count	2
26623	TPSA	0
3035405	Exact_Mass	1212.68532087
521863	Exact_Mass	120.00674260
3527810	Undefined_Bond_Stereo_Count	0
44719547	TPSA	53.7
74080	Mono_Isotopic_Weight	106.053098200
631271	Hydrogen_Bond_Donor_Count	2
70693584	Isotope_Atom_Count	0
75868	Undefined_Bond_Stereo_Count	0
5248373	Mono_Isotopic_Weight	114.115698455
22385	Covalent_Unit_Count	1
7945	Isotope_Atom_Count	0
16213080	Rotatable_Bond_Count	5
53346491	Hydrogen_Bond_Acceptor_Count	4
57782	Structure_Complexity	390
142966	Molecular_Weight	68.07
5284419	Molecular_Weight	624.6
91824766	Exact_Mass	1552.86266557
9918559	Non-hydrogen_Atom_Count	35
7540	Molecular_Weight	310.3
5225092	Undefined_Bond_Stereo_Count	0
6437371	Total_Formal_Charge	1
88332	Defined_Atom_Stereo_Count	0
3793749	Defined_Bond_Stereo_Count	0
135459889	Mono_Isotopic_Weight	167.02051497
68013637	Exact_Mass	342.11621151
131428459	Rotatable_Bond_Count	1
9556529	Non-hydrogen_Atom_Count	30
135436542	Total_Formal_Charge	0
90728924	Undefined_Atom_Stereo_Count	0
448025	Covalent_Unit_Count	1
130027214	Total_Formal_Charge	0
812042	Rotatable_Bond_Count	5
165675	Undefined_Atom_Stereo_Count	0
31173	Rotatable_Bond_Count	0
5484735	Defined_Atom_Stereo_Count	2
683	Rotatable_Bond_Count	6
101316975	TPSA	135
5206	XLogP3-AA	2.8
90208	Tautomer_Count	2
14988399	TPSA	26
13813927	Defined_Atom_Stereo_Count	0
74828	XLogP3-AA	1.6
11500273	Non-hydrogen_Atom_Count	20
656644	Isotope_Atom_Count	0
12097317	TPSA	26.3
42768	Hydrogen_Bond_Acceptor_Count	9
70276605	Isotope_Atom_Count	0
8579	TPSA	49.3
38910	Undefined_Atom_Stereo_Count	0
77999	Hydrogen_Bond_Donor_Count	1
12885796	Undefined_Bond_Stereo_Count	0
114812	Total_Formal_Charge	0
14297145	Non-hydrogen_Atom_Count	16
18447	Hydrogen_Bond_Donor_Count	1
21655019	Exact_Mass	84.032362755
53473572	Covalent_Unit_Count	1
535857	Mono_Isotopic_Weight	110.048012819
2487	Undefined_Atom_Stereo_Count	3
6450807	Hydrogen_Bond_Acceptor_Count	4
90476206	Tautomer_Count	23
73174	Non-hydrogen_Atom_Count	17
69672	Defined_Bond_Stereo_Count	0
57952	Non-hydrogen_Atom_Count	28
3790	Covalent_Unit_Count	1
23077956	TPSA	68.2
650572	Structure_Complexity	490
104747	Molecular_Weight	312.25
92043261	Structure_Complexity	117
12769202	Molecular_Weight	113.11
51375035	Covalent_Unit_Count	1
25271977	Covalent_Unit_Count	1
137685	Molecular_Weight	112.17
14066	Structure_Complexity	59.1
11519069	TPSA	29.5
8901	Mono_Isotopic_Weight	96.057514874
57057991	Molecular_Weight	116.11
23939	Rotatable_Bond_Count	0
3742	Undefined_Bond_Stereo_Count	0
91176619	Defined_Bond_Stereo_Count	0
667466	Isotope_Atom_Count	0
224167	Non-hydrogen_Atom_Count	21
82162	Structure_Complexity	190
12242802	Undefined_Bond_Stereo_Count	0
69020	Defined_Atom_Stereo_Count	0
153623425	Structure_Complexity	150
55434	Exact_Mass	324.17568590
11560414	Total_Formal_Charge	0
539829	Mono_Isotopic_Weight	222.08920892
54007	Non-hydrogen_Atom_Count	21
453131	Rotatable_Bond_Count	3
136378	Defined_Bond_Stereo_Count	0
60238	XLogP3-AA	1.1
124708040	Molecular_Weight	342.30
137018	XLogP3-AA	1.5
123934238	Hydrogen_Bond_Donor_Count	1
6437380	XLogP3-AA	8.7
102171995	Structure_Complexity	385
18343309	Molecular_Weight	155.2
59277756	Structure_Complexity	58.1
5360516	XLogP3	2.9
56682313	Hydrogen_Bond_Acceptor_Count	5
137635	Defined_Atom_Stereo_Count	0
23533635	Structure_Complexity	99.8
409438	Molecular_Weight	166.18
3054741	Defined_Bond_Stereo_Count	0
13783	TPSA	127
123995	Total_Formal_Charge	0
65864	TPSA	220
13507024	XLogP3-AA	2.7
96430	Defined_Bond_Stereo_Count	0
23723057	Undefined_Bond_Stereo_Count	0
70374	Non-hydrogen_Atom_Count	16
70060	Molecular_Weight	320.16
11916	Non-hydrogen_Atom_Count	11
23038090	Structure_Complexity	85.4
650201	TPSA	116
10614	Covalent_Unit_Count	1
2743	Hydrogen_Bond_Donor_Count	1
68072	Hydrogen_Bond_Donor_Count	3
643681	Structure_Complexity	490
9543528	Exact_Mass	160.09218630
117717938	Defined_Atom_Stereo_Count	1
14671573	Rotatable_Bond_Count	0
4143	Hydrogen_Bond_Acceptor_Count	5
6440557	Rotatable_Bond_Count	7
66369	Tautomer_Count	1
81358402	Structure_Complexity	96.6
27981	Hydrogen_Bond_Acceptor_Count	4
147594753	Total_Formal_Charge	0
131709225	Mono_Isotopic_Weight	908.38775915
5665	Isotope_Atom_Count	0
51082	Undefined_Atom_Stereo_Count	0
119489	TPSA	45.4
72429	Undefined_Bond_Stereo_Count	0
60044711	Isotope_Atom_Count	0
6905	Total_Formal_Charge	0
5310985	Non-hydrogen_Atom_Count	23
99930	Tautomer_Count	1
11137890	Isotope_Atom_Count	0
27402	TPSA	44.5
56668950	Covalent_Unit_Count	1
440274	Molecular_Weight	183.21
94176	Hydrogen_Bond_Acceptor_Count	4
3878	Mono_Isotopic_Weight	255.0078506
157690	TPSA	143
118210311	Mono_Isotopic_Weight	110.011627311
17778639	Isotope_Atom_Count	0
12986	TPSA	0
134688093	Isotope_Atom_Count	0
24838347	Structure_Complexity	187
34515	Isotope_Atom_Count	0
11546350	Total_Formal_Charge	0
74209	Rotatable_Bond_Count	15
115034	Isotope_Atom_Count	0
9106	Total_Formal_Charge	0
46224600	Hydrogen_Bond_Donor_Count	18
219081	Structure_Complexity	615
23080684	Covalent_Unit_Count	1
11640390	Exact_Mass	421.19026037
6918509	Undefined_Bond_Stereo_Count	0
38360	Exact_Mass	193.146664230
69462477	Defined_Atom_Stereo_Count	0
123212370	Rotatable_Bond_Count	2
94617	Isotope_Atom_Count	0
29976	Covalent_Unit_Count	3
454155	XLogP3-AA	6.1
54581904	Covalent_Unit_Count	1
64459	Non-hydrogen_Atom_Count	20
23700188	Undefined_Atom_Stereo_Count	0
11573	Hydrogen_Bond_Donor_Count	0
11957572	Defined_Bond_Stereo_Count	0
54143259	Non-hydrogen_Atom_Count	7
6324671	Hydrogen_Bond_Acceptor_Count	12
146487258	Structure_Complexity	92.5
152643	Hydrogen_Bond_Donor_Count	1
15046	Hydrogen_Bond_Acceptor_Count	1
5475158	TPSA	57.6
118435360	Structure_Complexity	676
60196304	Undefined_Atom_Stereo_Count	2
5460294	TPSA	108
24878	Non-hydrogen_Atom_Count	28
10702	Defined_Bond_Stereo_Count	0
14743344	Covalent_Unit_Count	1
6604472	Total_Formal_Charge	0
101306862	Defined_Atom_Stereo_Count	6
4011	Covalent_Unit_Count	1
18372143	Structure_Complexity	109
52999	Exact_Mass	381.07430439
15547703	Rotatable_Bond_Count	10
4092621	Hydrogen_Bond_Acceptor_Count	3
53441735	Undefined_Bond_Stereo_Count	0
8422	Molecular_Weight	202.21
352114	Defined_Atom_Stereo_Count	0
7043900	Undefined_Atom_Stereo_Count	0
13198341	Exact_Mass	120.078644241
22643	TPSA	35.1
16497	Non-hydrogen_Atom_Count	11
129856110	Structure_Complexity	665
54585642	Non-hydrogen_Atom_Count	24
68714	Defined_Bond_Stereo_Count	0
81226	Exact_Mass	119.02185764
91661	XLogP3-AA	4.2
18604	Exact_Mass	212.214015512
292925	Undefined_Atom_Stereo_Count	0
3894573	Defined_Atom_Stereo_Count	0
11320921	Non-hydrogen_Atom_Count	8
6433266	Structure_Complexity	343
11969465	TPSA	79.3
10569	Isotope_Atom_Count	0
24849168	Undefined_Atom_Stereo_Count	1
10197702	Undefined_Atom_Stereo_Count	0
4107	Undefined_Atom_Stereo_Count	1
81421	Defined_Bond_Stereo_Count	0
638793	Exact_Mass	1181.57302551
433294	Total_Formal_Charge	0
11257	Rotatable_Bond_Count	3
65823	Tautomer_Count	1
71751164	Undefined_Atom_Stereo_Count	0
102362828	Non-hydrogen_Atom_Count	41
638097	Undefined_Atom_Stereo_Count	0
61832	Isotope_Atom_Count	0
92546	Exact_Mass	224.07970687
444183	Hydrogen_Bond_Donor_Count	4
5282415	Undefined_Bond_Stereo_Count	0
53737519	Covalent_Unit_Count	1
135398517	Molecular_Weight	176.17
66969	Tautomer_Count	1
3831985	Exact_Mass	440.23583084
81263	Mono_Isotopic_Weight	156.151415257
5259916	Defined_Atom_Stereo_Count	0
49862626	Defined_Atom_Stereo_Count	0
86691500	Undefined_Bond_Stereo_Count	0
5353510	TPSA	201
24916869	Total_Formal_Charge	1
123178849	Hydrogen_Bond_Donor_Count	0
10155136	Undefined_Atom_Stereo_Count	0
58126	Hydrogen_Bond_Donor_Count	1
323	Defined_Bond_Stereo_Count	0
581206	XLogP3-AA	2.1
9570438	Hydrogen_Bond_Donor_Count	2
66586067	Structure_Complexity	316
6917698	Exact_Mass	465.1830623
1474853	Undefined_Bond_Stereo_Count	0
44517781	Structure_Complexity	134
12531	Rotatable_Bond_Count	14
139291703	Hydrogen_Bond_Donor_Count	14
13072114	Structure_Complexity	274
54261087	Covalent_Unit_Count	1
704245	Hydrogen_Bond_Acceptor_Count	4
11029805	Isotope_Atom_Count	0
4369233	Total_Formal_Charge	0
45138674	XLogP3-AA	4.6
9958230	XLogP3-AA	2.4
5359371	Total_Formal_Charge	0
6610296	TPSA	279
61247	Non-hydrogen_Atom_Count	7
44560772	XLogP3-AA	1.5
22553	Exact_Mass	201.0920418
398516	Non-hydrogen_Atom_Count	27
80293	TPSA	46.2
90019226	Hydrogen_Bond_Acceptor_Count	3
138107	Non-hydrogen_Atom_Count	6
13598032	Hydrogen_Bond_Donor_Count	0
170832	Mono_Isotopic_Weight	259.157228913
77442653	Defined_Atom_Stereo_Count	0
12559164	TPSA	0
164877	Isotope_Atom_Count	0
8333	Covalent_Unit_Count	1
72573106	TPSA	58.3
86278352	Tautomer_Count	12
54580795	Isotope_Atom_Count	0
80473	Tautomer_Count	3
93573	Undefined_Bond_Stereo_Count	0
148362624	XLogP3-AA	0.9
56841934	Total_Formal_Charge	0
46919879	Non-hydrogen_Atom_Count	34
13743295	Rotatable_Bond_Count	0
122239	Defined_Bond_Stereo_Count	0
193290	Isotope_Atom_Count	0
9995236	Undefined_Bond_Stereo_Count	0
68149181	Hydrogen_Bond_Donor_Count	1
6857473	Defined_Atom_Stereo_Count	5
12277679	Rotatable_Bond_Count	2
533909	Isotope_Atom_Count	0
101254310	Rotatable_Bond_Count	1
7249	Structure_Complexity	90.6
145705935	Non-hydrogen_Atom_Count	56
12471	Exact_Mass	194.940932
14974	TPSA	228
71356	Molecular_Weight	275.31
10206	Structure_Complexity	994
15790	Isotope_Atom_Count	0
21800	Total_Formal_Charge	0
6809	Molecular_Weight	147.13
10396821	Exact_Mass	116.047344113
5702220	Exact_Mass	411.97395
139025123	Hydrogen_Bond_Donor_Count	8
10975417	Undefined_Atom_Stereo_Count	1
136837	Undefined_Bond_Stereo_Count	0
9853710	Molecular_Weight	774.9
8809	Defined_Bond_Stereo_Count	0
6442177	XLogP3-AA	5.9
2570	Undefined_Bond_Stereo_Count	0
64423	Covalent_Unit_Count	2
21996	TPSA	15.6
95162411	Isotope_Atom_Count	0
197148	Undefined_Atom_Stereo_Count	0
53393586	Hydrogen_Bond_Acceptor_Count	16
58840878	Mono_Isotopic_Weight	100.100048391
30690	TPSA	97.2
11647679	Defined_Atom_Stereo_Count	0
69086581	Total_Formal_Charge	0
11655511	Non-hydrogen_Atom_Count	33
104838	Hydrogen_Bond_Donor_Count	3
14120372	Undefined_Atom_Stereo_Count	0
19016	Non-hydrogen_Atom_Count	10
11010340	Hydrogen_Bond_Donor_Count	2
56954881	Total_Formal_Charge	0
129744573	Molecular_Weight	111.10
76318728	Undefined_Atom_Stereo_Count	1
9821945	Defined_Atom_Stereo_Count	0
9939152	Rotatable_Bond_Count	2
88154	Hydrogen_Bond_Donor_Count	3
91666323	Exact_Mass	216.02459690
7732	Defined_Atom_Stereo_Count	0
10257882	Structure_Complexity	1060
144841571	Hydrogen_Bond_Acceptor_Count	2
5356787	Non-hydrogen_Atom_Count	15
1562	Hydrogen_Bond_Acceptor_Count	4
4160	Hydrogen_Bond_Donor_Count	1
5311167	Total_Formal_Charge	0
199480	Rotatable_Bond_Count	8
203911	Rotatable_Bond_Count	2
44237243	Hydrogen_Bond_Donor_Count	2
4961823	Hydrogen_Bond_Donor_Count	1
19819	Defined_Atom_Stereo_Count	0
53320169	Covalent_Unit_Count	1
16213080	Molecular_Weight	500.12
9953732	Non-hydrogen_Atom_Count	30
163698895	Molecular_Weight	114.15
13235329	TPSA	0
680036	Total_Formal_Charge	0
56846609	Non-hydrogen_Atom_Count	20
55288363	Hydrogen_Bond_Donor_Count	1
65422334	Non-hydrogen_Atom_Count	8
64992139	Hydrogen_Bond_Donor_Count	1
12556217	Structure_Complexity	103
92668	XLogP3-AA	5
31344	XLogP3-AA	0
123698	Covalent_Unit_Count	2
5280883	Hydrogen_Bond_Acceptor_Count	6
721456	Covalent_Unit_Count	1
12367599	Covalent_Unit_Count	1
54394679	Defined_Bond_Stereo_Count	0
10410468	Covalent_Unit_Count	1
9568077	Defined_Bond_Stereo_Count	1
44338784	Undefined_Bond_Stereo_Count	0
21868524	Hydrogen_Bond_Donor_Count	14
2733	Isotope_Atom_Count	0
10301	Hydrogen_Bond_Acceptor_Count	2
83884	Defined_Atom_Stereo_Count	5
16219954	TPSA	36
61347	Hydrogen_Bond_Acceptor_Count	1
5051	Rotatable_Bond_Count	11
66755	Exact_Mass	138.068079557
3758	Covalent_Unit_Count	1
16134408	Non-hydrogen_Atom_Count	140
62343	Hydrogen_Bond_Acceptor_Count	2
91087911	Rotatable_Bond_Count	1
19083156	Isotope_Atom_Count	0
687034	Covalent_Unit_Count	1
117781134	Non-hydrogen_Atom_Count	14
148431	Defined_Bond_Stereo_Count	0
7475	Isotope_Atom_Count	0
6441385	XLogP3	5.5
70689830	Isotope_Atom_Count	0
5282219	Hydrogen_Bond_Acceptor_Count	6
520998	Exact_Mass	99.104799419
11670	XLogP3-AA	1.5
70403801	Structure_Complexity	260
25164108	Isotope_Atom_Count	0
10290744	Undefined_Bond_Stereo_Count	0
11634725	Defined_Atom_Stereo_Count	1
56679000	Isotope_Atom_Count	0
7265	Hydrogen_Bond_Donor_Count	2
69132	Total_Formal_Charge	0
13807	Exact_Mass	442.22564282
9882972	TPSA	84.6
25114553	Structure_Complexity	665
11963557	Undefined_Bond_Stereo_Count	0
20713453	Non-hydrogen_Atom_Count	8
69301	Exact_Mass	168.078644241
27519	Covalent_Unit_Count	1
102470202	TPSA	264
19470	Exact_Mass	114.079312947
12653319	Molecular_Weight	117.15
9330	Non-hydrogen_Atom_Count	24
3461	Structure_Complexity	426
21648	XLogP3-AA	1.5
24891699	Undefined_Atom_Stereo_Count	0
89143843	Covalent_Unit_Count	1
21180	Molecular_Weight	234.36
22313123	Structure_Complexity	297
22166430	Covalent_Unit_Count	1
19754146	Structure_Complexity	245
11051613	Undefined_Bond_Stereo_Count	0
317681	Defined_Bond_Stereo_Count	0
102399	Non-hydrogen_Atom_Count	34
89651175	XLogP3-AA	0.6
24978538	TPSA	170
548521	TPSA	71.3
91499493	Exact_Mass	98.073164938
962	Molecular_Weight	18.015
87784	Mono_Isotopic_Weight	161.058911855
21699428	Exact_Mass	109.052763847
130147045	Hydrogen_Bond_Donor_Count	1
54584292	Total_Formal_Charge	0
17779	Mono_Isotopic_Weight	112.125200510
25084151	Covalent_Unit_Count	2
14202705	Isotope_Atom_Count	0
71459117	Hydrogen_Bond_Donor_Count	1
779179	Non-hydrogen_Atom_Count	25
90916291	Undefined_Atom_Stereo_Count	4
519	Rotatable_Bond_Count	7
52885	Hydrogen_Bond_Acceptor_Count	3
37271	Mono_Isotopic_Weight	237.10010796
512984	XLogP3-AA	2.9
10775	Total_Formal_Charge	0
6993205	Undefined_Atom_Stereo_Count	0
544613	Hydrogen_Bond_Acceptor_Count	2
10898663	Undefined_Atom_Stereo_Count	1
19065710	Undefined_Atom_Stereo_Count	1
11253490	Covalent_Unit_Count	1
9577221	XLogP3-AA	3.2
1013376	Hydrogen_Bond_Donor_Count	3
24967621	Rotatable_Bond_Count	7
123452939	Total_Formal_Charge	0
1892	Hydrogen_Bond_Donor_Count	1
86912	Structure_Complexity	256
11986122	Mono_Isotopic_Weight	230.003015
5699	Defined_Atom_Stereo_Count	0
253186	Hydrogen_Bond_Donor_Count	1
40998	Mono_Isotopic_Weight	409.1422784
89054492	Undefined_Bond_Stereo_Count	0
76140	Hydrogen_Bond_Donor_Count	0
7083	Non-hydrogen_Atom_Count	20
19010362	Covalent_Unit_Count	1
7717	Mono_Isotopic_Weight	283.2066777
23539668	Mono_Isotopic_Weight	387.21062441
2355	Non-hydrogen_Atom_Count	16
3776755	Defined_Bond_Stereo_Count	0
120738	Rotatable_Bond_Count	4
1310	Isotope_Atom_Count	0
9846339	Undefined_Atom_Stereo_Count	0
20269	Mono_Isotopic_Weight	242.92582
13201	Covalent_Unit_Count	1
441207	Isotope_Atom_Count	0
12152	Covalent_Unit_Count	1
737769	Molecular_Weight	324.4
18506428	Mono_Isotopic_Weight	118.062994177
11317883	Total_Formal_Charge	0
123704170	XLogP3-AA	2.3
70509	Exact_Mass	217.93787
158032	TPSA	45.8
992	Total_Formal_Charge	0
7632	Non-hydrogen_Atom_Count	12
9961192	Total_Formal_Charge	0
68002	Defined_Atom_Stereo_Count	0
8557	Covalent_Unit_Count	1
7483	XLogP3	2
3060	Covalent_Unit_Count	1
4184	Exact_Mass	264.162648646
20253250	Molecular_Weight	114.14
44393	Exact_Mass	280.125200510
534114	Mono_Isotopic_Weight	98.036779430
33400	Non-hydrogen_Atom_Count	20
11115995	Covalent_Unit_Count	1
249502	Structure_Complexity	127
21450089	TPSA	9.2
153668204	Isotope_Atom_Count	0
19357220	Undefined_Atom_Stereo_Count	1
62280	Rotatable_Bond_Count	15
4942	Total_Formal_Charge	0
67688	Hydrogen_Bond_Donor_Count	0
71450115	Mono_Isotopic_Weight	583.16818
628370	Undefined_Atom_Stereo_Count	0
71824	Molecular_Weight	128.22
165413019	Exact_Mass	268.08076950
192154	Defined_Atom_Stereo_Count	7
21786118	Covalent_Unit_Count	1
3032576	Molecular_Weight	324.4
171227	Covalent_Unit_Count	2
12673086	Isotope_Atom_Count	0
23690449	Structure_Complexity	334
543880	TPSA	9.2
60196296	Molecular_Weight	292.5
18356755	Defined_Bond_Stereo_Count	0
20169	Defined_Bond_Stereo_Count	0
9946953	Non-hydrogen_Atom_Count	24
9548810	Structure_Complexity	140
57403815	Total_Formal_Charge	0
69657541	Structure_Complexity	124
6829	Non-hydrogen_Atom_Count	15
54411340	Covalent_Unit_Count	1
45488107	Covalent_Unit_Count	1
26574	Defined_Atom_Stereo_Count	0
60196441	Mono_Isotopic_Weight	613.21753896
11667893	Undefined_Atom_Stereo_Count	0
5351564	Undefined_Bond_Stereo_Count	0
447980	Structure_Complexity	306
5282192	Hydrogen_Bond_Acceptor_Count	6
95566291	Exact_Mass	416.32904526
68870	Rotatable_Bond_Count	8
65953	Undefined_Atom_Stereo_Count	1
56663314	Mono_Isotopic_Weight	511.1290284
8383	Hydrogen_Bond_Donor_Count	0
4887	Total_Formal_Charge	0
4044	Defined_Bond_Stereo_Count	0
52942478	Hydrogen_Bond_Acceptor_Count	6
6971033	Rotatable_Bond_Count	2
101218360	Molecular_Weight	83.09
54510058	Molecular_Weight	99.13
139590596	Non-hydrogen_Atom_Count	36
48469	Molecular_Weight	222.24
91010248	XLogP3-AA	3.4
123805	TPSA	380
14082	Tautomer_Count	1
8069	Structure_Complexity	42.8
135511839	Isotope_Atom_Count	0
24775	Total_Formal_Charge	0
8954	Hydrogen_Bond_Donor_Count	2
51948	Mono_Isotopic_Weight	297.18143228
123481823	Covalent_Unit_Count	1
56669107	XLogP3-AA	1
11338127	Undefined_Bond_Stereo_Count	0
9734	Mono_Isotopic_Weight	159.97484710
5273569	TPSA	76
146049044	Structure_Complexity	96.3
22398442	Non-hydrogen_Atom_Count	8
16669	Non-hydrogen_Atom_Count	14
54677674	Isotope_Atom_Count	0
8424	Total_Formal_Charge	0
16213640	Defined_Bond_Stereo_Count	0
8217	XLogP3	10
59774	Defined_Bond_Stereo_Count	0
56682411	Structure_Complexity	406
443879	Undefined_Atom_Stereo_Count	0
75821	Covalent_Unit_Count	1
24721009	Exact_Mass	280.1706265
12309464	Hydrogen_Bond_Donor_Count	0
89054492	Hydrogen_Bond_Acceptor_Count	2
65790	Defined_Bond_Stereo_Count	0
5488579	Total_Formal_Charge	0
8457	Exact_Mass	234.9706065
90471707	Defined_Atom_Stereo_Count	1
146558401	Defined_Bond_Stereo_Count	0
123800109	Undefined_Atom_Stereo_Count	5
681950	Molecular_Weight	257.33
123555270	Total_Formal_Charge	0
57402653	Isotope_Atom_Count	0
14320623	XLogP3-AA	2
130957284	Hydrogen_Bond_Acceptor_Count	2
93011	TPSA	37.4
1711973	XLogP3	5.5
53846435	Covalent_Unit_Count	1
6947362	Undefined_Bond_Stereo_Count	0
392622	Total_Formal_Charge	0
5311053	Undefined_Atom_Stereo_Count	0
53944814	Mono_Isotopic_Weight	102.031694049
75066	Undefined_Atom_Stereo_Count	0
23310226	Hydrogen_Bond_Donor_Count	0
954444	Mono_Isotopic_Weight	291.0581549
5388961	Structure_Complexity	638
23665765	Defined_Atom_Stereo_Count	0
135484551	Isotope_Atom_Count	0
5899068	Tautomer_Count	1
137699406	Exact_Mass	842.51400504
11104792	Defined_Bond_Stereo_Count	0
5284566	Hydrogen_Bond_Donor_Count	1
337100	Molecular_Weight	109.09
37968	Defined_Bond_Stereo_Count	0
681	Molecular_Weight	153.18
54133029	Defined_Atom_Stereo_Count	0
53470	TPSA	40.5
119096114	Undefined_Bond_Stereo_Count	0
5462	Molecular_Weight	628.7
73952881	Structure_Complexity	516
9798547	Hydrogen_Bond_Donor_Count	1
13454	Mono_Isotopic_Weight	261.06709375
1381	TPSA	74.2
9909202	Defined_Atom_Stereo_Count	9
37247	Covalent_Unit_Count	1
7419	Tautomer_Count	3
22238266	Hydrogen_Bond_Donor_Count	1
5257187	Mono_Isotopic_Weight	266.165722651
5497195	Defined_Bond_Stereo_Count	1
25803	Hydrogen_Bond_Donor_Count	2
21242473	Molecular_Weight	97.08
14465	Undefined_Atom_Stereo_Count	0
145391309	Covalent_Unit_Count	1
136634	TPSA	1
3151	Defined_Atom_Stereo_Count	0
67330085	Exact_Mass	526.14461000
20658615	Exact_Mass	112.052429494
102059894	Undefined_Bond_Stereo_Count	0
67809	Defined_Bond_Stereo_Count	0
9953769	Mono_Isotopic_Weight	417.20524173
80675	Hydrogen_Bond_Donor_Count	3
96420	Exact_Mass	165.090211983
68740	Molecular_Weight	272.09
12208403	Hydrogen_Bond_Acceptor_Count	4
447153	Total_Formal_Charge	0
118104	Structure_Complexity	109
134694358	Defined_Atom_Stereo_Count	4
12647544	Hydrogen_Bond_Acceptor_Count	2
135589409	Hydrogen_Bond_Donor_Count	1
16217248	Total_Formal_Charge	0
3498	Hydrogen_Bond_Acceptor_Count	4
102102472	Non-hydrogen_Atom_Count	33
5327131	Undefined_Atom_Stereo_Count	0
67268	Defined_Atom_Stereo_Count	0
57369982	Exact_Mass	301.13940568
72068	Undefined_Atom_Stereo_Count	0
133687060	Mono_Isotopic_Weight	327.202608250
6419725	Molecular_Weight	536.9
67529	Defined_Atom_Stereo_Count	0
101684738	Covalent_Unit_Count	1
10282265	Isotope_Atom_Count	0
439156	Defined_Bond_Stereo_Count	0
36921	Isotope_Atom_Count	0
9793707	Molecular_Weight	102.09
102503853	Defined_Bond_Stereo_Count	0
543879	Hydrogen_Bond_Acceptor_Count	1
76704897	Undefined_Bond_Stereo_Count	0
4343483	Mono_Isotopic_Weight	109.9926871
43226	Covalent_Unit_Count	1
5702293	Covalent_Unit_Count	2
91696191	Mono_Isotopic_Weight	260.01604
6603828	Rotatable_Bond_Count	9
44345559	Rotatable_Bond_Count	6
53678373	Undefined_Bond_Stereo_Count	0
4179	Isotope_Atom_Count	0
446715	Defined_Bond_Stereo_Count	0
28871	Isotope_Atom_Count	0
422	Hydrogen_Bond_Acceptor_Count	10
9816	Undefined_Bond_Stereo_Count	0
4277	Covalent_Unit_Count	1
21284699	Hydrogen_Bond_Acceptor_Count	2
162883452	Rotatable_Bond_Count	6
89578803	Undefined_Atom_Stereo_Count	3
107744	Defined_Bond_Stereo_Count	0
53507	XLogP3	3.9
9883149	Molecular_Weight	310.30
66117	Undefined_Atom_Stereo_Count	0
53324426	Total_Formal_Charge	0
57396953	Hydrogen_Bond_Acceptor_Count	7
50896	Rotatable_Bond_Count	6
14086017	Isotope_Atom_Count	0
65106	Total_Formal_Charge	0
541623	Mono_Isotopic_Weight	117.078978594
24244	Isotope_Atom_Count	0
13570060	Mono_Isotopic_Weight	138.068079557
87519	Tautomer_Count	1
44144829	Total_Formal_Charge	0
146156428	Undefined_Bond_Stereo_Count	0
60196390	Non-hydrogen_Atom_Count	19
10964	Rotatable_Bond_Count	2
444005	Defined_Atom_Stereo_Count	0
3033968	Undefined_Bond_Stereo_Count	0
30487	Defined_Bond_Stereo_Count	0
156422	Hydrogen_Bond_Donor_Count	2
78609	Undefined_Atom_Stereo_Count	0
11063784	Defined_Atom_Stereo_Count	2
69340339	Defined_Bond_Stereo_Count	0
7242	Hydrogen_Bond_Acceptor_Count	1
16240	Exact_Mass	173.141578849
13728	Covalent_Unit_Count	1
27655	Mono_Isotopic_Weight	151.9876363
3736298	Defined_Bond_Stereo_Count	0
19159	Covalent_Unit_Count	1
77531	TPSA	25.8
16656	XLogP3-AA	4.5
59966641	Exact_Mass	416.32904526
10628031	Non-hydrogen_Atom_Count	45
5256574	Isotope_Atom_Count	0
5488036	Hydrogen_Bond_Acceptor_Count	11
40430269	Hydrogen_Bond_Donor_Count	4
2894	Covalent_Unit_Count	1
86369	Hydrogen_Bond_Donor_Count	1
11954009	Tautomer_Count	105
18936148	Isotope_Atom_Count	0
142952	Structure_Complexity	107
31952	Non-hydrogen_Atom_Count	12
108313	Hydrogen_Bond_Donor_Count	0
9578	TPSA	0
56841655	TPSA	275
17894357	Hydrogen_Bond_Acceptor_Count	4
53389	Mono_Isotopic_Weight	321.220497874
61523	Mono_Isotopic_Weight	164.120115130
20890	Structure_Complexity	153
20767638	Hydrogen_Bond_Acceptor_Count	1
165574	Molecular_Weight	82.10
107166	Hydrogen_Bond_Donor_Count	0
71721420	Covalent_Unit_Count	1
231040	Defined_Atom_Stereo_Count	0
6433091	Undefined_Atom_Stereo_Count	2
16683028	Isotope_Atom_Count	0
8872	Molecular_Weight	170.25
70662473	Rotatable_Bond_Count	16
39940	Structure_Complexity	384
519275	Total_Formal_Charge	0
25512	Non-hydrogen_Atom_Count	6
89374436	Undefined_Bond_Stereo_Count	0
135554441	Total_Formal_Charge	0
71541293	Defined_Atom_Stereo_Count	1
24144	Molecular_Weight	388.5
72551	Tautomer_Count	2
84068	Undefined_Atom_Stereo_Count	19
122672143	Non-hydrogen_Atom_Count	8
25076512	Mono_Isotopic_Weight	1633.77700666
7263	Covalent_Unit_Count	1
9954410	Hydrogen_Bond_Donor_Count	1
9548602	TPSA	136
30199	Rotatable_Bond_Count	0
123628	Defined_Bond_Stereo_Count	0
5289531	Molecular_Weight	612.8
18363526	Rotatable_Bond_Count	0
12285869	Exact_Mass	180.06338810
268473	Isotope_Atom_Count	0
23519621	Undefined_Bond_Stereo_Count	0
75840	Hydrogen_Bond_Donor_Count	2
31242	Structure_Complexity	72.6
6999977	Covalent_Unit_Count	1
8351	Undefined_Atom_Stereo_Count	0
6049	Hydrogen_Bond_Acceptor_Count	10
90473076	Isotope_Atom_Count	1
70447	Defined_Bond_Stereo_Count	0
56069	Non-hydrogen_Atom_Count	29
32413	Hydrogen_Bond_Acceptor_Count	3
14417	Non-hydrogen_Atom_Count	26
17804394	Structure_Complexity	76.8
67184	Defined_Bond_Stereo_Count	0
64658	Covalent_Unit_Count	2
139942026	Hydrogen_Bond_Acceptor_Count	1
74496	Total_Formal_Charge	0
18725	XLogP3	10.4
7746	Covalent_Unit_Count	1
524643	Non-hydrogen_Atom_Count	7
318	Exact_Mass	992.513202
70694813	Isotope_Atom_Count	0
11374	Covalent_Unit_Count	1
45282362	Undefined_Bond_Stereo_Count	0
56626310	Exact_Mass	226.110613074
7123	XLogP3	3.3
123610848	TPSA	27.1
66137	TPSA	0
6506	XLogP3-AA	0.1
14273	Hydrogen_Bond_Acceptor_Count	2
413487	Undefined_Bond_Stereo_Count	0
78422631	Defined_Atom_Stereo_Count	0
39042	Non-hydrogen_Atom_Count	25
39223	Exact_Mass	313.0416773
55290897	Undefined_Atom_Stereo_Count	0
123519634	Undefined_Atom_Stereo_Count	4
121207368	TPSA	29.1
71081	Hydrogen_Bond_Donor_Count	0
3000479	Undefined_Bond_Stereo_Count	0
3396	Covalent_Unit_Count	1
968951	Defined_Atom_Stereo_Count	0
8480	Hydrogen_Bond_Acceptor_Count	4
14405863	Hydrogen_Bond_Donor_Count	1
13009112	XLogP3-AA	0.5
147126464	Structure_Complexity	117
18641	XLogP3-AA	7.2
2723598	Hydrogen_Bond_Donor_Count	3
81184	TPSA	15.6
28506	Mono_Isotopic_Weight	212.094963011
9268	Tautomer_Count	1
262752	Structure_Complexity	267
56982924	Hydrogen_Bond_Donor_Count	1
3464	Total_Formal_Charge	0
19868	Exact_Mass	176.094963011
21721513	Structure_Complexity	147
796280	Defined_Atom_Stereo_Count	1
8272	Molecular_Weight	670.0
11833	Defined_Atom_Stereo_Count	0
135491830	Mono_Isotopic_Weight	327.18681496
658645	Defined_Bond_Stereo_Count	0
7503	Hydrogen_Bond_Donor_Count	0
6380	Undefined_Bond_Stereo_Count	0
122361733	TPSA	198
5362858	Covalent_Unit_Count	1
18402	Hydrogen_Bond_Acceptor_Count	2
54307	Tautomer_Count	5
15723	Defined_Atom_Stereo_Count	0
18142	Undefined_Atom_Stereo_Count	0
4294	Hydrogen_Bond_Donor_Count	4
2130	Rotatable_Bond_Count	0
1616	Non-hydrogen_Atom_Count	14
98051220	Molecular_Weight	364.9
80245	Mono_Isotopic_Weight	54.0469501914
9916489	Structure_Complexity	880
62389905	Molecular_Weight	99.17
61229	XLogP3	0.8
75354	Covalent_Unit_Count	1
117963	Structure_Complexity	321
10355	Exact_Mass	141.078978594
85991	Defined_Bond_Stereo_Count	0
54525629	Undefined_Atom_Stereo_Count	0
6857537	Tautomer_Count	1
118104	Isotope_Atom_Count	0
87869	Exact_Mass	288.0444070
562634	XLogP3-AA	3.3
66057	Defined_Atom_Stereo_Count	0
13559474	Isotope_Atom_Count	0
54341391	Exact_Mass	94.078250319
112680	Isotope_Atom_Count	0
26130	TPSA	62.8
24815904	TPSA	80.4
12231382	Exact_Mass	114.104465066
18757800	Molecular_Weight	147.17
6950274	Undefined_Atom_Stereo_Count	0
139024568	Total_Formal_Charge	0
18008584	Exact_Mass	99.104799419
68499424	Defined_Bond_Stereo_Count	0
5736	Mono_Isotopic_Weight	331.0797631
10630456	Mono_Isotopic_Weight	112.063662883
20054868	TPSA	380
705715	Structure_Complexity	381
8027	XLogP3	0.7
185	Rotatable_Bond_Count	5
3205	Molecular_Weight	478.6
67439664	Undefined_Atom_Stereo_Count	0
21850	Total_Formal_Charge	0
12704953	Hydrogen_Bond_Donor_Count	2
29675	Rotatable_Bond_Count	16
4060	Defined_Bond_Stereo_Count	0
12278591	Covalent_Unit_Count	1
398116	Isotope_Atom_Count	0
107706	Rotatable_Bond_Count	9
16218644	Defined_Atom_Stereo_Count	0
68023775	XLogP3-AA	1
5284382	Rotatable_Bond_Count	0
5054	Exact_Mass	110.036779430
524236	Non-hydrogen_Atom_Count	8
9889366	Exact_Mass	438.16469979
57504473	Total_Formal_Charge	0
84614	Defined_Bond_Stereo_Count	0
80690	Total_Formal_Charge	0
93771	TPSA	188
3172	Isotope_Atom_Count	0
23654	Non-hydrogen_Atom_Count	11
158638	Exact_Mass	195.01024758
46911863	Molecular_Weight	377.3
67713	Rotatable_Bond_Count	1
3071	Covalent_Unit_Count	1
247974	Hydrogen_Bond_Acceptor_Count	3
6127	TPSA	0
2759	XLogP3-AA	1.5
5279171	Undefined_Bond_Stereo_Count	0
67621	Structure_Complexity	209
22477643	Non-hydrogen_Atom_Count	8
83123	Non-hydrogen_Atom_Count	14
11181836	Non-hydrogen_Atom_Count	48
12243	Covalent_Unit_Count	1
156	Mono_Isotopic_Weight	136.074896272
72860	TPSA	9.2
445070	Hydrogen_Bond_Acceptor_Count	1
9549303	XLogP3-AA	4.5
60196382	Hydrogen_Bond_Donor_Count	0
453307	XLogP3-AA	1.6
140979598	Hydrogen_Bond_Donor_Count	0
75531	Non-hydrogen_Atom_Count	14
11266523	Undefined_Bond_Stereo_Count	0
16492	Undefined_Bond_Stereo_Count	0
638278	Hydrogen_Bond_Donor_Count	3
20827794	Defined_Bond_Stereo_Count	0
132157	TPSA	85.2
3034022	Defined_Bond_Stereo_Count	2
516871	Hydrogen_Bond_Acceptor_Count	2
32924	Structure_Complexity	126
11675152	Isotope_Atom_Count	0
84975	Hydrogen_Bond_Acceptor_Count	2
64948	Molecular_Weight	254.29
647840	Structure_Complexity	378
5641	Exact_Mass	89.047678466
77949	Defined_Bond_Stereo_Count	0
73604	TPSA	123
678081	Total_Formal_Charge	0
11040632	Hydrogen_Bond_Donor_Count	0
2977	Hydrogen_Bond_Donor_Count	1
53317121	Hydrogen_Bond_Donor_Count	0
19952	Covalent_Unit_Count	1
95559	Undefined_Atom_Stereo_Count	1
219357	Undefined_Bond_Stereo_Count	0
9815689	Hydrogen_Bond_Acceptor_Count	3
118505252	Defined_Atom_Stereo_Count	0
18380130	Molecular_Weight	116.12
165754425	Defined_Bond_Stereo_Count	0
25563891	Mono_Isotopic_Weight	241.110278721
12217497	TPSA	17.1
61208	Defined_Atom_Stereo_Count	0
4596	Defined_Bond_Stereo_Count	0
78973	Total_Formal_Charge	0
3081992	Undefined_Atom_Stereo_Count	0
69370	Non-hydrogen_Atom_Count	8
82045	Exact_Mass	315.27734404
69222	Undefined_Bond_Stereo_Count	0
6365696	Exact_Mass	280.240230259
9960616	Defined_Bond_Stereo_Count	0
93146	Covalent_Unit_Count	1
9549213	Tautomer_Count	3
40512	Defined_Atom_Stereo_Count	0
12242809	Hydrogen_Bond_Acceptor_Count	1
56669107	Undefined_Bond_Stereo_Count	0
60574	Rotatable_Bond_Count	5
10555	Covalent_Unit_Count	1
448071	Mono_Isotopic_Weight	84.093900383
36679	Covalent_Unit_Count	1
56842108	Rotatable_Bond_Count	5
12285878	Tautomer_Count	1
11757806	Rotatable_Bond_Count	11
6978	Structure_Complexity	155
5282546	Covalent_Unit_Count	1
20708	Mono_Isotopic_Weight	291.2692779
17725	Hydrogen_Bond_Acceptor_Count	1
10034581	Hydrogen_Bond_Donor_Count	1
104870	Tautomer_Count	2
69744	Exact_Mass	212.0392780
92768	Defined_Atom_Stereo_Count	0
130545	Hydrogen_Bond_Acceptor_Count	4
46591	Covalent_Unit_Count	1
6450173	Hydrogen_Bond_Acceptor_Count	19
5311341	Defined_Atom_Stereo_Count	4
92374	Structure_Complexity	189
92043320	Molecular_Weight	788.9
132471895	Isotope_Atom_Count	0
78423410	Hydrogen_Bond_Donor_Count	2
8427	Structure_Complexity	210
69341160	Covalent_Unit_Count	1
6169	Defined_Atom_Stereo_Count	5
88970	Mono_Isotopic_Weight	279.14705815
16692	Molecular_Weight	403.7
91438571	Molecular_Weight	105.14
79474	Undefined_Bond_Stereo_Count	0
690109	Rotatable_Bond_Count	1
9871074	XLogP3-AA	3.7
726	Hydrogen_Bond_Donor_Count	9
5288101	Hydrogen_Bond_Donor_Count	3
674879	Exact_Mass	273.09358328
44345361	Defined_Bond_Stereo_Count	0
12889418	Exact_Mass	204.11234441
13349549	Isotope_Atom_Count	0
5717	Total_Formal_Charge	0
19045124	Undefined_Bond_Stereo_Count	0
9934492	Hydrogen_Bond_Acceptor_Count	13
6441388	Undefined_Atom_Stereo_Count	0
12082259	Undefined_Bond_Stereo_Count	0
39425	Mono_Isotopic_Weight	249.139173551
19774759	Rotatable_Bond_Count	1
904	Hydrogen_Bond_Acceptor_Count	1
12735	Undefined_Bond_Stereo_Count	0
4259	Undefined_Atom_Stereo_Count	2
71727581	Total_Formal_Charge	0
79414	Molecular_Weight	160.21
10219408	Defined_Atom_Stereo_Count	0
54848	Defined_Bond_Stereo_Count	0
3033673	Rotatable_Bond_Count	5
10133	Structure_Complexity	605
9552081	Non-hydrogen_Atom_Count	60
9548590	Isotope_Atom_Count	0
154731141	Non-hydrogen_Atom_Count	17
25271790	Rotatable_Bond_Count	7
69948495	Non-hydrogen_Atom_Count	8
164576789	Isotope_Atom_Count	0
993	Rotatable_Bond_Count	1
154578334	Undefined_Atom_Stereo_Count	1
11773	Hydrogen_Bond_Acceptor_Count	0
261501	Covalent_Unit_Count	2
9472	Undefined_Bond_Stereo_Count	0
8225	Tautomer_Count	1
43801121	XLogP3-AA	0.7
154518370	Covalent_Unit_Count	1
48918	Total_Formal_Charge	0
84081255	Isotope_Atom_Count	0
53998308	Structure_Complexity	86.1
44246529	Undefined_Atom_Stereo_Count	2
6971097	Defined_Bond_Stereo_Count	0
15817396	Non-hydrogen_Atom_Count	8
81836	Total_Formal_Charge	0
10881	Defined_Bond_Stereo_Count	0
6917793	Defined_Bond_Stereo_Count	0
33929	Defined_Atom_Stereo_Count	0
57515976	Hydrogen_Bond_Donor_Count	2
31260	Isotope_Atom_Count	0
13018409	Rotatable_Bond_Count	0
90429111	Hydrogen_Bond_Acceptor_Count	3
5464190	Undefined_Bond_Stereo_Count	0
9327	Exact_Mass	614.36207672
45488107	Structure_Complexity	722
68530	Total_Formal_Charge	0
54196	Rotatable_Bond_Count	8
6560	Hydrogen_Bond_Acceptor_Count	1
316890	Defined_Atom_Stereo_Count	0
53847404	Total_Formal_Charge	0
138322	Hydrogen_Bond_Donor_Count	0
71648	XLogP3	1.3
13757192	Rotatable_Bond_Count	2
15446403	Hydrogen_Bond_Acceptor_Count	1
170366	Defined_Bond_Stereo_Count	0
5208	Rotatable_Bond_Count	3
14066	Non-hydrogen_Atom_Count	7
8814	Isotope_Atom_Count	0
2769	Structure_Complexity	581
54120934	Total_Formal_Charge	0
10154007	Structure_Complexity	64
5417	Defined_Bond_Stereo_Count	0
20571541	Rotatable_Bond_Count	3
894278	Covalent_Unit_Count	1
25720	Hydrogen_Bond_Donor_Count	3
73619	Undefined_Bond_Stereo_Count	1
65773	Defined_Bond_Stereo_Count	0
20806292	Undefined_Bond_Stereo_Count	0
54685524	Rotatable_Bond_Count	5
590130	Undefined_Atom_Stereo_Count	2
56834579	TPSA	121
1810	Exact_Mass	261.0516336
10987215	Isotope_Atom_Count	0
6872	Mono_Isotopic_Weight	213.078978594
74097	Total_Formal_Charge	0
6413529	Defined_Bond_Stereo_Count	2
67050751	Rotatable_Bond_Count	1
68260836	Undefined_Atom_Stereo_Count	2
59296077	Defined_Bond_Stereo_Count	0
140765	Defined_Atom_Stereo_Count	0
22505043	Defined_Atom_Stereo_Count	0
9897412	Molecular_Weight	843.1
8710	Hydrogen_Bond_Donor_Count	0
8599	Structure_Complexity	583
17195	Undefined_Bond_Stereo_Count	0
6989253	Hydrogen_Bond_Acceptor_Count	2
687818	Structure_Complexity	448
179383	TPSA	33.4
10887841	Total_Formal_Charge	0
37	Tautomer_Count	2
15422	Hydrogen_Bond_Donor_Count	1
79474	Hydrogen_Bond_Acceptor_Count	2
11029807	Covalent_Unit_Count	1
4633	Rotatable_Bond_Count	11
136649	Mono_Isotopic_Weight	108.093900383
12868192	TPSA	24.7
69017	Defined_Bond_Stereo_Count	0
97982	Undefined_Bond_Stereo_Count	0
11260561	Undefined_Atom_Stereo_Count	0
31265	Hydrogen_Bond_Acceptor_Count	2
106757	Isotope_Atom_Count	0
107649	Undefined_Atom_Stereo_Count	0
54292763	Isotope_Atom_Count	0
268370	Molecular_Weight	324.4
12401	Tautomer_Count	1
18506421	Isotope_Atom_Count	0
87870897	Non-hydrogen_Atom_Count	8
5319754	Rotatable_Bond_Count	2
64402	Covalent_Unit_Count	1
12223113	XLogP3-AA	2.8
31326	Hydrogen_Bond_Acceptor_Count	5
572065	Isotope_Atom_Count	0
71622	Undefined_Bond_Stereo_Count	0
20764676	Non-hydrogen_Atom_Count	8
12301251	Isotope_Atom_Count	0
362	XLogP3-AA	0.8
6917984	Hydrogen_Bond_Donor_Count	3
1973	Structure_Complexity	564
198061	XLogP3-AA	3.5
155008	Exact_Mass	556.13694696
138477	Undefined_Bond_Stereo_Count	0
57396150	Molecular_Weight	462.6
19422150	Undefined_Atom_Stereo_Count	1
620984	Structure_Complexity	252
627386	Molecular_Weight	402.04
136219153	Molecular_Weight	394.9
70060	TPSA	75.4
23690449	Tautomer_Count	2
134158849	Molecular_Weight	423.4
145130580	Exact_Mass	96.057514874
7712	Mono_Isotopic_Weight	162.068079557
12309466	Hydrogen_Bond_Donor_Count	0
63303	Total_Formal_Charge	1
6710664	Total_Formal_Charge	0
71742706	Covalent_Unit_Count	1
6449939	Hydrogen_Bond_Acceptor_Count	18
9867605	Isotope_Atom_Count	0
66683197	Undefined_Atom_Stereo_Count	1
208920	Exact_Mass	620.38656014
135445750	Total_Formal_Charge	1
62425	Undefined_Atom_Stereo_Count	0
11018	Non-hydrogen_Atom_Count	25
59296099	Isotope_Atom_Count	0
92131820	Undefined_Bond_Stereo_Count	0
11018	Exact_Mass	340.19126869
419223	Covalent_Unit_Count	1
86775	TPSA	20.2
102233552	Undefined_Bond_Stereo_Count	0
92366	Defined_Atom_Stereo_Count	1
115358	Covalent_Unit_Count	1
9244	Exact_Mass	84.057514874
36302	Defined_Atom_Stereo_Count	0
14218	Hydrogen_Bond_Acceptor_Count	4
54676228	Molecular_Weight	331.3
16219464	Non-hydrogen_Atom_Count	36
2943	Hydrogen_Bond_Acceptor_Count	4
23724556	Total_Formal_Charge	0
154016567	Molecular_Weight	111.10
122534114	Undefined_Bond_Stereo_Count	0
129822315	Undefined_Atom_Stereo_Count	1
20656	Total_Formal_Charge	0
14794988	XLogP3-AA	0.8
22385728	Hydrogen_Bond_Acceptor_Count	1
129853863	Rotatable_Bond_Count	14
74180	Non-hydrogen_Atom_Count	20
3866	Covalent_Unit_Count	1
136730	Hydrogen_Bond_Acceptor_Count	3
57399909	XLogP3-AA	5.2
8141	Hydrogen_Bond_Donor_Count	0
396765	Total_Formal_Charge	0
139977	Undefined_Bond_Stereo_Count	0
60121	Undefined_Atom_Stereo_Count	0
8705	Tautomer_Count	6
34148	Hydrogen_Bond_Donor_Count	0
91668194	Undefined_Atom_Stereo_Count	0
11088	Defined_Atom_Stereo_Count	0
162268759	Undefined_Bond_Stereo_Count	0
163285965	Isotope_Atom_Count	0
74141	TPSA	75.7
69319	Undefined_Bond_Stereo_Count	0
221881	Isotope_Atom_Count	0
26318	Hydrogen_Bond_Acceptor_Count	0
6401	Covalent_Unit_Count	1
20253	Non-hydrogen_Atom_Count	13
44576048	XLogP3-AA	4.7
51	Molecular_Weight	146.10
6564	Covalent_Unit_Count	1
84647649	Defined_Bond_Stereo_Count	0
133687818	Structure_Complexity	1020
653473	Defined_Atom_Stereo_Count	0
284024	Isotope_Atom_Count	0
20798615	Defined_Bond_Stereo_Count	0
595230	Hydrogen_Bond_Acceptor_Count	2
10920542	Isotope_Atom_Count	0
24977371	Molecular_Weight	112.17
40854	Molecular_Weight	315.3
5486998	Tautomer_Count	3
13574480	Isotope_Atom_Count	0
87743	Molecular_Weight	378.25
82	Tautomer_Count	1
77022	Mono_Isotopic_Weight	193.93410
2736567	Mono_Isotopic_Weight	113.047678466
253602	XLogP3-AA	0.9
192435	Defined_Atom_Stereo_Count	10
98053103	XLogP3-AA	2.8
40973	Isotope_Atom_Count	0
25058126	Covalent_Unit_Count	1
57504266	Mono_Isotopic_Weight	452.1363662
11966095	Non-hydrogen_Atom_Count	85
6436138	Defined_Atom_Stereo_Count	0
5256574	Mono_Isotopic_Weight	152.01903862
306211	Defined_Bond_Stereo_Count	0
23700	Undefined_Atom_Stereo_Count	0
18698	Tautomer_Count	2
23684339	Defined_Bond_Stereo_Count	0
32743	TPSA	37.3
15335183	Hydrogen_Bond_Acceptor_Count	2
120095	XLogP3-AA	1
450	Total_Formal_Charge	0
151318	Defined_Atom_Stereo_Count	0
127998	Hydrogen_Bond_Donor_Count	1
9399	Hydrogen_Bond_Acceptor_Count	6
21285	Isotope_Atom_Count	0
46257	Exact_Mass	201.0920418
21520336	Molecular_Weight	309.62
720561	Non-hydrogen_Atom_Count	14
5363269	Undefined_Atom_Stereo_Count	0
19065601	Isotope_Atom_Count	0
35970	Hydrogen_Bond_Acceptor_Count	4
27982	Hydrogen_Bond_Acceptor_Count	3
595926	Hydrogen_Bond_Acceptor_Count	1
64737	Undefined_Bond_Stereo_Count	0
65902	XLogP3-AA	3.4
6140	Defined_Atom_Stereo_Count	1
442461	Covalent_Unit_Count	1
5081	TPSA	78.8
2795218	Rotatable_Bond_Count	1
61833	Rotatable_Bond_Count	0
13181	Rotatable_Bond_Count	3
71397	Total_Formal_Charge	0
22819	Non-hydrogen_Atom_Count	10
68858	Covalent_Unit_Count	1
33958	Hydrogen_Bond_Donor_Count	2
79123	XLogP3-AA	1.8
5169	Covalent_Unit_Count	1
7619	Non-hydrogen_Atom_Count	16
6432236	Hydrogen_Bond_Acceptor_Count	0
146675242	Undefined_Bond_Stereo_Count	1
1883	Defined_Bond_Stereo_Count	0
535188	Isotope_Atom_Count	0
60335	Defined_Bond_Stereo_Count	0
56765705	Hydrogen_Bond_Acceptor_Count	1
17849680	TPSA	44.6
11564467	Undefined_Bond_Stereo_Count	0
61948	Mono_Isotopic_Weight	263.88977
169371	Undefined_Bond_Stereo_Count	0
6919055	Hydrogen_Bond_Acceptor_Count	3
9821174	Defined_Atom_Stereo_Count	2
12598	Undefined_Bond_Stereo_Count	0
91488	Molecular_Weight	412.4
11926	Total_Formal_Charge	0
54586720	Undefined_Bond_Stereo_Count	0
145705978	Molecular_Weight	1106.1
3938007	Total_Formal_Charge	1
22321577	XLogP3-AA	3.4
21455617	Structure_Complexity	66.7
82718360	Undefined_Bond_Stereo_Count	0
117045887	Isotope_Atom_Count	0
70754	Total_Formal_Charge	0
14341511	Non-hydrogen_Atom_Count	8
57229732	Exact_Mass	116.058577502
225564	TPSA	20.2
123979022	Non-hydrogen_Atom_Count	8
279451	Defined_Atom_Stereo_Count	0
30541	Molecular_Weight	277.4
21466713	Undefined_Atom_Stereo_Count	0
56218	Defined_Atom_Stereo_Count	0
83363	XLogP3	6.2
12551763	Molecular_Weight	110.16
99058	Undefined_Bond_Stereo_Count	0
16958	Structure_Complexity	200
90437	Hydrogen_Bond_Acceptor_Count	6
20679542	Non-hydrogen_Atom_Count	8
4686862	Hydrogen_Bond_Acceptor_Count	6
16219944	Hydrogen_Bond_Acceptor_Count	11
408714	Total_Formal_Charge	0
19094	Undefined_Bond_Stereo_Count	0
69602	Molecular_Weight	153.18
71957	Defined_Atom_Stereo_Count	2
6483	Rotatable_Bond_Count	26
443130	Structure_Complexity	328
65647	Undefined_Bond_Stereo_Count	0
12363	Hydrogen_Bond_Donor_Count	0
71462102	TPSA	62.2
41428	Non-hydrogen_Atom_Count	14
17652	Hydrogen_Bond_Donor_Count	1
14298876	Covalent_Unit_Count	1
58746	Mono_Isotopic_Weight	413.19294
60936	TPSA	146
19543	Isotope_Atom_Count	0
90127780	Undefined_Bond_Stereo_Count	0
11843834	Isotope_Atom_Count	0
35922	XLogP3-AA	3.3
71353	Defined_Bond_Stereo_Count	0
119525	Defined_Atom_Stereo_Count	0
45270802	Isotope_Atom_Count	0
11790	Total_Formal_Charge	0
10351656	Mono_Isotopic_Weight	100.100048391
808817	Undefined_Bond_Stereo_Count	0
153668824	XLogP3-AA	0.1
99058	Hydrogen_Bond_Acceptor_Count	9
59177	Non-hydrogen_Atom_Count	17
151170	Defined_Atom_Stereo_Count	0
133556498	Structure_Complexity	896
8077	Hydrogen_Bond_Acceptor_Count	2
5311236	Tautomer_Count	3
60196441	XLogP3-AA	6.5
1582	Undefined_Bond_Stereo_Count	0
86132	Covalent_Unit_Count	1
12175949	Defined_Bond_Stereo_Count	0
10493936	Isotope_Atom_Count	0
130554248	Exact_Mass	110.073164938
89216	Total_Formal_Charge	0
18952320	Structure_Complexity	74.1
10387485	Mono_Isotopic_Weight	423.92292
53346496	Defined_Bond_Stereo_Count	0
126624267	Mono_Isotopic_Weight	342.11621151
142034647	Total_Formal_Charge	0
8793	Structure_Complexity	171
66901	Defined_Atom_Stereo_Count	0
69020	Covalent_Unit_Count	1
5003	Hydrogen_Bond_Donor_Count	4
16219385	Hydrogen_Bond_Acceptor_Count	6
49827815	Isotope_Atom_Count	0
57393451	XLogP3-AA	4.5
14072	Structure_Complexity	26.5
138404353	Structure_Complexity	1700
11658655	Rotatable_Bond_Count	1
5283853	Structure_Complexity	637
67249135	Hydrogen_Bond_Donor_Count	1
10196758	Hydrogen_Bond_Acceptor_Count	11
44395166	Covalent_Unit_Count	1
5367785	TPSA	26.3
83050	Isotope_Atom_Count	0
31204	Structure_Complexity	316
5363097	Defined_Bond_Stereo_Count	1
705672	Molecular_Weight	348.4
15450	Covalent_Unit_Count	1
67248272	Hydrogen_Bond_Acceptor_Count	2
11979781	Rotatable_Bond_Count	22
5281727	Non-hydrogen_Atom_Count	19
76966897	Mono_Isotopic_Weight	1608.51510
640180	Defined_Atom_Stereo_Count	0
11503972	Defined_Atom_Stereo_Count	2
34340	Exact_Mass	179.073499291
323180	Undefined_Atom_Stereo_Count	0
7291	Exact_Mass	108.02450067
101544	Exact_Mass	323.05185141
23688957	Covalent_Unit_Count	2
24826799	Total_Formal_Charge	0
14819	Defined_Bond_Stereo_Count	0
446067	Defined_Atom_Stereo_Count	0
20470206	Mono_Isotopic_Weight	108.093900383
24181457	Covalent_Unit_Count	2
122669	Total_Formal_Charge	0
30479	Hydrogen_Bond_Donor_Count	1
28183	Structure_Complexity	340
3180466	Defined_Atom_Stereo_Count	0
56836326	Undefined_Bond_Stereo_Count	0
130029088	Defined_Bond_Stereo_Count	0
5486705	Rotatable_Bond_Count	8
102435360	Molecular_Weight	111.10
10953453	XLogP3-AA	0.4
46241268	XLogP3-AA	2.7
5284580	Undefined_Atom_Stereo_Count	1
78739	Hydrogen_Bond_Acceptor_Count	2
8528	Undefined_Atom_Stereo_Count	0
86811213	XLogP3-AA	0.9
16779	Non-hydrogen_Atom_Count	22
3515	Covalent_Unit_Count	1
60196346	Molecular_Weight	432.5
22459	Non-hydrogen_Atom_Count	6
84567	Structure_Complexity	245
69661	Undefined_Bond_Stereo_Count	0
62380	Undefined_Bond_Stereo_Count	0
68078	Isotope_Atom_Count	0
57392610	Total_Formal_Charge	0
10184774	Structure_Complexity	731
68747277	Structure_Complexity	686
87664346	Undefined_Bond_Stereo_Count	0
45484851	TPSA	60.7
9808828	Rotatable_Bond_Count	7
135923569	Defined_Atom_Stereo_Count	0
10672195	Hydrogen_Bond_Acceptor_Count	4
44134877	Molecular_Weight	958.9
83445	Structure_Complexity	290
11550876	Hydrogen_Bond_Donor_Count	1
12376	XLogP3-AA	0
75868	Hydrogen_Bond_Acceptor_Count	5
447297	Defined_Bond_Stereo_Count	0
60196398	Total_Formal_Charge	0
66601	TPSA	54.4
62485	Undefined_Atom_Stereo_Count	0
3610	Rotatable_Bond_Count	5
442882	Covalent_Unit_Count	1
21896450	Total_Formal_Charge	0
13558	Rotatable_Bond_Count	4
18736933	Defined_Bond_Stereo_Count	0
14022509	XLogP3	1.1
3092	TPSA	135
25223	Covalent_Unit_Count	1
6917754	Tautomer_Count	1
4369502	Defined_Atom_Stereo_Count	1
42153	Structure_Complexity	247
80302	Defined_Bond_Stereo_Count	0
23617236	Covalent_Unit_Count	2
5384876	Defined_Atom_Stereo_Count	0
28332	Undefined_Atom_Stereo_Count	0
50914976	Undefined_Bond_Stereo_Count	0
16683023	Undefined_Bond_Stereo_Count	0
12068	TPSA	118
11126188	Defined_Bond_Stereo_Count	0
11804695	Covalent_Unit_Count	1
131634423	Molecular_Weight	395.3
56829049	Rotatable_Bond_Count	0
9868950	Molecular_Weight	425.6
62413	Isotope_Atom_Count	0
56603728	Hydrogen_Bond_Acceptor_Count	5
25273227	XLogP3-AA	2.7
131705644	Total_Formal_Charge	0
45479834	Tautomer_Count	3
55250	Undefined_Bond_Stereo_Count	0
71453618	XLogP3-AA	4.2
13567	Undefined_Atom_Stereo_Count	0
38101	Structure_Complexity	261
6436015	Defined_Bond_Stereo_Count	2
107879	Defined_Atom_Stereo_Count	0
950	Defined_Bond_Stereo_Count	0
3263	Undefined_Bond_Stereo_Count	0
12305	XLogP3-AA	1.8
94343	Hydrogen_Bond_Donor_Count	0
58863788	Defined_Bond_Stereo_Count	0
12313523	Defined_Atom_Stereo_Count	5
66840	Structure_Complexity	206
14751894	Rotatable_Bond_Count	1
9327	Undefined_Atom_Stereo_Count	0
11000531	Rotatable_Bond_Count	2
4288	Defined_Atom_Stereo_Count	0
62943	Tautomer_Count	1
156963344	TPSA	85.2
3884	Isotope_Atom_Count	0
2863	Undefined_Atom_Stereo_Count	6
53814	Hydrogen_Bond_Donor_Count	1
14720269	Tautomer_Count	1
15027187	TPSA	38.7
92600	TPSA	74.6
2933256	Isotope_Atom_Count	0
852933	XLogP3-AA	2.2
12265	Undefined_Atom_Stereo_Count	0
12521030	Mono_Isotopic_Weight	223.98509127
12933282	Total_Formal_Charge	0
5328791	Rotatable_Bond_Count	2
54375073	Defined_Atom_Stereo_Count	0
8705	Undefined_Bond_Stereo_Count	0
14578458	Structure_Complexity	74.5
84363	Undefined_Atom_Stereo_Count	0
94960	Rotatable_Bond_Count	1
123143	Isotope_Atom_Count	0
25201614	XLogP3-AA	0.7
99404	Hydrogen_Bond_Acceptor_Count	1
14457	Non-hydrogen_Atom_Count	15
123966800	Rotatable_Bond_Count	0
23677974	Isotope_Atom_Count	0
185498	Structure_Complexity	0
9844225	Mono_Isotopic_Weight	405.1343006
11954350	Isotope_Atom_Count	0
9793703	Hydrogen_Bond_Donor_Count	3
10532551	Exact_Mass	678.26494143
292465	Covalent_Unit_Count	1
118121642	Hydrogen_Bond_Acceptor_Count	2
19864017	Tautomer_Count	3
24872560	Isotope_Atom_Count	0
87979966	Exact_Mass	116.047344113
3575	Defined_Bond_Stereo_Count	0
13516406	Structure_Complexity	61.5
11957587	Non-hydrogen_Atom_Count	62
11651149	Covalent_Unit_Count	1
35781	Defined_Atom_Stereo_Count	0
54676884	Undefined_Atom_Stereo_Count	2
9082	Isotope_Atom_Count	0
70684298	Defined_Atom_Stereo_Count	0
451239	Exact_Mass	140.93938
123223196	Structure_Complexity	103
9262	XLogP3-AA	0
70258	Defined_Bond_Stereo_Count	0
185902	Non-hydrogen_Atom_Count	27
88800	Undefined_Bond_Stereo_Count	0
6028462	Structure_Complexity	72
45380893	Undefined_Atom_Stereo_Count	0
300166	Rotatable_Bond_Count	2
5078	Defined_Atom_Stereo_Count	0
78014	Total_Formal_Charge	0
21778241	Total_Formal_Charge	0
2698	Isotope_Atom_Count	0
737	Structure_Complexity	414
79314	TPSA	60.2
66623496	Hydrogen_Bond_Donor_Count	0
25151504	Defined_Atom_Stereo_Count	3
44453028	Structure_Complexity	814
5503	Hydrogen_Bond_Donor_Count	2
143670559	Isotope_Atom_Count	0
71305059	Defined_Atom_Stereo_Count	2
17473	Defined_Atom_Stereo_Count	9
24870668	XLogP3-AA	2.1
100965141	Undefined_Atom_Stereo_Count	0
78704	Non-hydrogen_Atom_Count	14
44563146	Mono_Isotopic_Weight	372.15101554
6207	Undefined_Bond_Stereo_Count	0
6914282	Hydrogen_Bond_Donor_Count	3
93291	Defined_Bond_Stereo_Count	0
36688490	Covalent_Unit_Count	1
5359464	Hydrogen_Bond_Donor_Count	0
74361	Rotatable_Bond_Count	5
68127236	Hydrogen_Bond_Acceptor_Count	2
6696	Molecular_Weight	309.16
8133	XLogP3	0.8
140719461	Covalent_Unit_Count	1
222572	Mono_Isotopic_Weight	364.157563266
20111961	TPSA	38.8
662877	Defined_Atom_Stereo_Count	0
71430	Structure_Complexity	438
98043898	Isotope_Atom_Count	0
455733	Exact_Mass	262.168127949
57077234	Mono_Isotopic_Weight	112.088815002
279451	TPSA	41.1
146265392	TPSA	46.5
8909	Undefined_Atom_Stereo_Count	0
53315792	Exact_Mass	722.16942885
17184	Exact_Mass	387.13517331
11228183	Molecular_Weight	813.4
11612445	Covalent_Unit_Count	1
67948733	Rotatable_Bond_Count	3
247771	Rotatable_Bond_Count	3
53315110	Non-hydrogen_Atom_Count	18
119097373	Hydrogen_Bond_Donor_Count	1
18988	Defined_Bond_Stereo_Count	0
22833331	Undefined_Atom_Stereo_Count	1
67258371	Exact_Mass	112.00951931
65872	Hydrogen_Bond_Donor_Count	1
4098	Hydrogen_Bond_Acceptor_Count	4
85705001	Rotatable_Bond_Count	0
136729	XLogP3-AA	3.8
2579	Total_Formal_Charge	0
3166	Defined_Atom_Stereo_Count	0
53473572	Non-hydrogen_Atom_Count	36
153623425	Hydrogen_Bond_Acceptor_Count	2
123265201	Exact_Mass	114.104465066
397	Structure_Complexity	205
77918	Structure_Complexity	130
55710	Isotope_Atom_Count	0
23863720	Exact_Mass	923.48784986
24866867	Covalent_Unit_Count	1
12431744	Defined_Atom_Stereo_Count	0
6321253	Hydrogen_Bond_Acceptor_Count	2
91756366	Isotope_Atom_Count	0
185199	Defined_Bond_Stereo_Count	0
59045964	Structure_Complexity	74.9
164116	Covalent_Unit_Count	1
5128450	Covalent_Unit_Count	1
439186	Total_Formal_Charge	0
89737	Undefined_Bond_Stereo_Count	0
699683	Mono_Isotopic_Weight	347.12699141
694674	Covalent_Unit_Count	1
134085	Covalent_Unit_Count	1
46911864	Defined_Bond_Stereo_Count	2
9865421	Total_Formal_Charge	0
84647654	Mono_Isotopic_Weight	111.068413911
53316380	TPSA	61.6
11860544	Rotatable_Bond_Count	1
5743186	Undefined_Bond_Stereo_Count	0
11636182	Undefined_Bond_Stereo_Count	0
16078	Rotatable_Bond_Count	4
79422	Isotope_Atom_Count	0
53511	Total_Formal_Charge	0
5352982	Molecular_Weight	254.41
6951123	Exact_Mass	145.110278721
118379	Hydrogen_Bond_Donor_Count	3
23663407	Rotatable_Bond_Count	4
70680969	Hydrogen_Bond_Acceptor_Count	7
17912	Isotope_Atom_Count	0
49858377	Structure_Complexity	566
8442	Rotatable_Bond_Count	10
89930457	Molecular_Weight	114.19
7048611	Isotope_Atom_Count	0
452126	TPSA	114
110635	Hydrogen_Bond_Acceptor_Count	4
14892	TPSA	40
154526012	Hydrogen_Bond_Acceptor_Count	2
627951	Total_Formal_Charge	0
12381281	Defined_Bond_Stereo_Count	0
17907809	TPSA	69.6
3659	Non-hydrogen_Atom_Count	36
146157141	Defined_Atom_Stereo_Count	1
124204086	Defined_Bond_Stereo_Count	0
13791578	Structure_Complexity	84.2
46780289	Rotatable_Bond_Count	3
76537	Hydrogen_Bond_Acceptor_Count	2
522731	Hydrogen_Bond_Donor_Count	0
518733	Total_Formal_Charge	0
4183883	Rotatable_Bond_Count	2
149164080	Mono_Isotopic_Weight	98.073164938
70694812	Non-hydrogen_Atom_Count	18
154067559	Exact_Mass	84.021129366
87426124	Isotope_Atom_Count	0
15558642	Rotatable_Bond_Count	5
1222	Covalent_Unit_Count	1
6394935	Defined_Atom_Stereo_Count	0
9890377	Total_Formal_Charge	0
53651707	Hydrogen_Bond_Acceptor_Count	3
441558	TPSA	18.5
19993425	Mono_Isotopic_Weight	102.068079557
57394609	Non-hydrogen_Atom_Count	30
19502	Mono_Isotopic_Weight	112.125200510
63686	Tautomer_Count	5
6437840	Tautomer_Count	2
5709759	Tautomer_Count	1
85032	Undefined_Bond_Stereo_Count	0
829	Non-hydrogen_Atom_Count	8
520769	Undefined_Bond_Stereo_Count	0
23653	XLogP3-AA	0.9
56036	Covalent_Unit_Count	1
158536	Defined_Bond_Stereo_Count	0
528143	Hydrogen_Bond_Donor_Count	0
90781811	Defined_Atom_Stereo_Count	3
22628	Rotatable_Bond_Count	1
179668	TPSA	49.3
150558758	Defined_Bond_Stereo_Count	0
11338033	Defined_Atom_Stereo_Count	0
22082547	Structure_Complexity	77.7
696925	Total_Formal_Charge	0
702289	Defined_Bond_Stereo_Count	0
14608354	Exact_Mass	491.03766135
3710788	Covalent_Unit_Count	1
87963836	Undefined_Bond_Stereo_Count	0
156963402	Exact_Mass	838.29831089
2747	Molecular_Weight	262.3
86067	Tautomer_Count	1
4195	Undefined_Bond_Stereo_Count	0
47294	Rotatable_Bond_Count	3
135546482	Rotatable_Bond_Count	2
16205480	Defined_Bond_Stereo_Count	0
17754007	Covalent_Unit_Count	1
104805	Defined_Bond_Stereo_Count	0
16399850	Hydrogen_Bond_Donor_Count	1
2463138	Rotatable_Bond_Count	2
44353367	Exact_Mass	344.0119330
56670034	TPSA	74.7
58420727	Mono_Isotopic_Weight	422.36670574
114849	Mono_Isotopic_Weight	131.069476538
6852167	Total_Formal_Charge	0
135476784	Rotatable_Bond_Count	2
3520	Hydrogen_Bond_Donor_Count	3
3085106	Molecular_Weight	564.0
675526	Mono_Isotopic_Weight	286.0639685
36858	Defined_Atom_Stereo_Count	0
8194	XLogP3-AA	4.9
5139	Defined_Bond_Stereo_Count	0
7040	Non-hydrogen_Atom_Count	13
12462	Undefined_Atom_Stereo_Count	0
12317358	Structure_Complexity	152
33032	TPSA	101
626738	Exact_Mass	297.189277932
43499891	Undefined_Bond_Stereo_Count	0
14563	XLogP3-AA	3.4
7510	Hydrogen_Bond_Acceptor_Count	2
83247	Defined_Atom_Stereo_Count	0
224243	Undefined_Atom_Stereo_Count	2
36565	Covalent_Unit_Count	1
70374	Undefined_Atom_Stereo_Count	0
68914546	Covalent_Unit_Count	2
57401205	Mono_Isotopic_Weight	462.14607235
23255624	Defined_Atom_Stereo_Count	3
5736	Hydrogen_Bond_Acceptor_Count	3
19065601	Molecular_Weight	248.17
3052762	Molecular_Weight	367.9
54776248	Undefined_Atom_Stereo_Count	0
10887868	Hydrogen_Bond_Acceptor_Count	2
5319249	Isotope_Atom_Count	0
91820207	Exact_Mass	1578.658339
7190	Non-hydrogen_Atom_Count	16
58054368	Structure_Complexity	911
443372	Hydrogen_Bond_Acceptor_Count	4
15983549	Molecular_Weight	454.5
10309114	TPSA	111
3580	Undefined_Bond_Stereo_Count	6
74918	Non-hydrogen_Atom_Count	15
11953895	Tautomer_Count	1
34274	Molecular_Weight	360.2
15367	Defined_Atom_Stereo_Count	0
124524089	TPSA	272
70681	Mono_Isotopic_Weight	277.2536278
21702858	Isotope_Atom_Count	0
30065	Defined_Atom_Stereo_Count	0
23656215	Non-hydrogen_Atom_Count	31
100915014	Structure_Complexity	207
22965788	Structure_Complexity	101
9908268	Defined_Atom_Stereo_Count	0
18463	XLogP3-AA	1.1
21630	Tautomer_Count	1
50309	Tautomer_Count	3
161122	Molecular_Weight	137.12
3055957	Molecular_Weight	101.19
10935	Molecular_Weight	97.07
227244	Rotatable_Bond_Count	0
12729	Total_Formal_Charge	0
33363	Non-hydrogen_Atom_Count	20
81890	Molecular_Weight	88.15
12338	Molecular_Weight	88.15
68600	Defined_Atom_Stereo_Count	2
9699	Exact_Mass	133.090292168
643981	Defined_Bond_Stereo_Count	0
28660	Rotatable_Bond_Count	1
69908	TPSA	17.1
9264	Undefined_Atom_Stereo_Count	0
6424	Isotope_Atom_Count	0
61444	Covalent_Unit_Count	9
162918373	Total_Formal_Charge	0
45085421	Molecular_Weight	132.23
123309341	Rotatable_Bond_Count	0
16138	Non-hydrogen_Atom_Count	28
44413	Tautomer_Count	1
66811197	Covalent_Unit_Count	1
6604155	Hydrogen_Bond_Acceptor_Count	12
13728	Hydrogen_Bond_Donor_Count	0
41386	Hydrogen_Bond_Donor_Count	1
11633038	Non-hydrogen_Atom_Count	30
135659064	Undefined_Atom_Stereo_Count	1
5287573	Defined_Atom_Stereo_Count	0
11120	Structure_Complexity	92.6
123801229	TPSA	29.1
54682507	Undefined_Bond_Stereo_Count	0
233208	Mono_Isotopic_Weight	85.052763847
9827294	Undefined_Bond_Stereo_Count	0
141008392	Total_Formal_Charge	0
90943885	TPSA	0
9543026	Non-hydrogen_Atom_Count	52
6399027	Structure_Complexity	140
69591	Hydrogen_Bond_Acceptor_Count	1
192794	Undefined_Atom_Stereo_Count	0
444655	Exact_Mass	121.076573296
21650627	Undefined_Atom_Stereo_Count	1
635186	Isotope_Atom_Count	0
23663412	Non-hydrogen_Atom_Count	41
9420	Mono_Isotopic_Weight	591.1839706
17475	TPSA	29.1
12432039	Mono_Isotopic_Weight	82.053098200
70276990	Undefined_Atom_Stereo_Count	0
57458936	Defined_Bond_Stereo_Count	0
76229	Hydrogen_Bond_Donor_Count	1
6021893	Undefined_Bond_Stereo_Count	0
82028	Non-hydrogen_Atom_Count	13
6324604	Mono_Isotopic_Weight	457.1880675
3462	XLogP3-AA	4.2
94381	TPSA	58.2
20056950	Mono_Isotopic_Weight	440.16000488
28858	Undefined_Bond_Stereo_Count	0
23385871	Hydrogen_Bond_Acceptor_Count	1
11643980	Non-hydrogen_Atom_Count	11
10239891	Hydrogen_Bond_Donor_Count	4
99721706	Isotope_Atom_Count	0
7098663	Undefined_Atom_Stereo_Count	0
13927379	Rotatable_Bond_Count	4
131664136	Defined_Atom_Stereo_Count	0
7095	Structure_Complexity	100
564996	Defined_Atom_Stereo_Count	0
156395	Defined_Bond_Stereo_Count	0
60285	Undefined_Bond_Stereo_Count	0
14510872	Defined_Bond_Stereo_Count	0
7411	Covalent_Unit_Count	1
5462508	XLogP3	0.3
23666879	Non-hydrogen_Atom_Count	37
5702698	Rotatable_Bond_Count	5
14478661	Structure_Complexity	72.5
141543352	XLogP3-AA	1.1
68392349	Exact_Mass	109.089149355
71357579	Isotope_Atom_Count	0
75103	Undefined_Atom_Stereo_Count	0
95043	Defined_Bond_Stereo_Count	0
76223462	Undefined_Atom_Stereo_Count	1
67246787	Hydrogen_Bond_Donor_Count	1
44349928	Defined_Atom_Stereo_Count	0
90102662	Total_Formal_Charge	0
519449	Tautomer_Count	1
14714336	Non-hydrogen_Atom_Count	8
91557	Exact_Mass	505.01648202
73246	Hydrogen_Bond_Donor_Count	4
10287037	Total_Formal_Charge	0
2734227	Isotope_Atom_Count	0
10079	Undefined_Atom_Stereo_Count	0
3078	Covalent_Unit_Count	1
49865703	Hydrogen_Bond_Donor_Count	2
68604	Covalent_Unit_Count	1
10176126	Molecular_Weight	115.17
3541	Isotope_Atom_Count	0
9884029	Defined_Bond_Stereo_Count	1
11979741	Structure_Complexity	2530
11658655	Structure_Complexity	245
45408	Isotope_Atom_Count	0
704314	Rotatable_Bond_Count	4
77274	Rotatable_Bond_Count	6
32205	Total_Formal_Charge	0
91195806	XLogP3-AA	2.1
6473883	Structure_Complexity	1300
166560	Rotatable_Bond_Count	0
69488652	Hydrogen_Bond_Donor_Count	0
61510	Isotope_Atom_Count	0
94740	XLogP3-AA	2.2
6440511	Undefined_Atom_Stereo_Count	0
137727	Exact_Mass	78.0469501914
13315542	Hydrogen_Bond_Donor_Count	0
5324	Isotope_Atom_Count	0
23709629	Isotope_Atom_Count	0
12768628	Hydrogen_Bond_Acceptor_Count	1
15439198	Non-hydrogen_Atom_Count	7
54258707	Rotatable_Bond_Count	2
148557	Total_Formal_Charge	0
23615703	Isotope_Atom_Count	0
129890070	Hydrogen_Bond_Donor_Count	0
472202	Rotatable_Bond_Count	2
439778	Mono_Isotopic_Weight	84.021129366
69334897	Total_Formal_Charge	0
14930392	Rotatable_Bond_Count	2
13301951	Isotope_Atom_Count	0
119097373	Covalent_Unit_Count	1
134688669	Exact_Mass	628.26723285
70267	Exact_Mass	123.068413911
67443	TPSA	25.1
135398638	Undefined_Bond_Stereo_Count	0
44590516	Undefined_Atom_Stereo_Count	1
69085357	Rotatable_Bond_Count	4
140672839	Hydrogen_Bond_Donor_Count	0
5282229	TPSA	101
8515	Structure_Complexity	343
93074	Exact_Mass	101.084063974
59270	Molecular_Weight	402.3
547678	Mono_Isotopic_Weight	116.047344113
14381189	Defined_Bond_Stereo_Count	0
9340	Molecular_Weight	286.8
2718	TPSA	39.2
15364	Structure_Complexity	177
54585	Molecular_Weight	357.32
78759292	Rotatable_Bond_Count	1
56668819	Hydrogen_Bond_Donor_Count	1
267571	Rotatable_Bond_Count	2
6433117	Exact_Mass	392.20999276
4698	XLogP3-AA	3.6
4472	Undefined_Bond_Stereo_Count	0
656832	Structure_Complexity	432
10129912	Undefined_Atom_Stereo_Count	0
10102486	Total_Formal_Charge	2
46174049	TPSA	12.5
140442165	Non-hydrogen_Atom_Count	85
137349207	Mono_Isotopic_Weight	363.13830499
11100989	Defined_Atom_Stereo_Count	0
104866516	Hydrogen_Bond_Acceptor_Count	2
67191927	Defined_Bond_Stereo_Count	0
20516966	Defined_Bond_Stereo_Count	0
20056743	Non-hydrogen_Atom_Count	26
13007	Isotope_Atom_Count	0
23019	Undefined_Bond_Stereo_Count	0
6375	Structure_Complexity	27.5
25116186	TPSA	114
54530170	Defined_Atom_Stereo_Count	0
18736159	Undefined_Atom_Stereo_Count	0
4173129	Mono_Isotopic_Weight	403.12939671
24848330	Total_Formal_Charge	1
122415	Defined_Bond_Stereo_Count	0
23349	Hydrogen_Bond_Acceptor_Count	1
518818	Total_Formal_Charge	0
60121	XLogP3-AA	2.9
11309506	Molecular_Weight	86.14
11851	Undefined_Atom_Stereo_Count	0
124554638	Exact_Mass	416.32904526
69413	Tautomer_Count	1
87870867	Covalent_Unit_Count	1
23444	Hydrogen_Bond_Donor_Count	2
8272	Covalent_Unit_Count	1
5281065	Tautomer_Count	1
14	Rotatable_Bond_Count	13
439791	Molecular_Weight	102.18
15420544	Molecular_Weight	254.28
35329	Non-hydrogen_Atom_Count	39
30664	Structure_Complexity	36.9
29739	Mono_Isotopic_Weight	296.16237386
64466	Molecular_Weight	295.4
23532160	Hydrogen_Bond_Donor_Count	1
15951509	Total_Formal_Charge	0
15291	TPSA	39.2
122404566	XLogP3-AA	5.4
90941530	Defined_Atom_Stereo_Count	0
72302	Total_Formal_Charge	0
4173327	Undefined_Bond_Stereo_Count	0
16682935	Mono_Isotopic_Weight	352.997587
62240	Total_Formal_Charge	0
135403803	TPSA	131
21777	Undefined_Atom_Stereo_Count	1
68705	Undefined_Bond_Stereo_Count	0
10537	Hydrogen_Bond_Donor_Count	1
11535547	Hydrogen_Bond_Acceptor_Count	2
39066	XLogP3-AA	5.2
842	Defined_Atom_Stereo_Count	0
16212118	Defined_Bond_Stereo_Count	0
165579	Exact_Mass	711.24803078
1434	Total_Formal_Charge	0
548678	Non-hydrogen_Atom_Count	8
439950	Defined_Atom_Stereo_Count	0
99807	Rotatable_Bond_Count	7
133268464	Isotope_Atom_Count	0
13826	Mono_Isotopic_Weight	118.04907545
17873276	Isotope_Atom_Count	0
57393918	Mono_Isotopic_Weight	389.9996542
2769656	Covalent_Unit_Count	1
129009603	Undefined_Bond_Stereo_Count	0
14705467	Molecular_Weight	110.15
148184759	Exact_Mass	97.089149355
19373541	Undefined_Bond_Stereo_Count	0
85518914	XLogP3-AA	0.1
88901652	TPSA	38.7
141379122	Total_Formal_Charge	0
9356	Hydrogen_Bond_Donor_Count	5
2546	Undefined_Atom_Stereo_Count	2
3497012	Undefined_Atom_Stereo_Count	0
135492	Covalent_Unit_Count	1
629	Mono_Isotopic_Weight	423.18663154
37888454	TPSA	107
12450	Hydrogen_Bond_Donor_Count	0
71515466	Hydrogen_Bond_Donor_Count	19
90408860	Undefined_Atom_Stereo_Count	0
13544016	TPSA	23.6
14402033	Hydrogen_Bond_Acceptor_Count	4
19259	Total_Formal_Charge	0
141167	Non-hydrogen_Atom_Count	6
3325	Hydrogen_Bond_Donor_Count	4
378443	Undefined_Atom_Stereo_Count	1
123298319	Covalent_Unit_Count	1
609844	Defined_Bond_Stereo_Count	0
91500	Structure_Complexity	10
23749	TPSA	140
55466	Structure_Complexity	631
41632	Non-hydrogen_Atom_Count	20
153000	Molecular_Weight	99.09
153373905	Hydrogen_Bond_Acceptor_Count	1
2296	Molecular_Weight	491.5
224241	Total_Formal_Charge	0
6993809	Undefined_Atom_Stereo_Count	0
7496	Non-hydrogen_Atom_Count	20
66304	Undefined_Bond_Stereo_Count	0
7048703	Exact_Mass	650.7901
88305	Covalent_Unit_Count	1
138107201	Structure_Complexity	756
163829	Tautomer_Count	1001
28207	Tautomer_Count	3
9994296	Undefined_Bond_Stereo_Count	0
447227	Molecular_Weight	276.35
53759539	Exact_Mass	270.08652358
442549	Hydrogen_Bond_Donor_Count	2
135414248	Structure_Complexity	643
123535886	Defined_Atom_Stereo_Count	0
122172945	Exact_Mass	1201.84136802
3050408	Structure_Complexity	836
12533146	TPSA	20.2
20681276	Structure_Complexity	107
86673	Total_Formal_Charge	0
11149862	Rotatable_Bond_Count	3
119025724	Exact_Mass	909.93464
12869962	Total_Formal_Charge	0
5034	Non-hydrogen_Atom_Count	21
44383	Structure_Complexity	544
56207	Exact_Mass	421.1004755
69347707	Covalent_Unit_Count	1
6471	Isotope_Atom_Count	0
13450484	Non-hydrogen_Atom_Count	8
46889118	Molecular_Weight	281.31
10219406	Isotope_Atom_Count	0
23616857	Defined_Bond_Stereo_Count	0
21041053	Covalent_Unit_Count	1
6921	Hydrogen_Bond_Acceptor_Count	3
71304	Defined_Bond_Stereo_Count	0
21100	Molecular_Weight	197.23
186003	Isotope_Atom_Count	0
130993429	Non-hydrogen_Atom_Count	8
83976	Rotatable_Bond_Count	10
7	Defined_Bond_Stereo_Count	0
23663973	Isotope_Atom_Count	0
79069	Non-hydrogen_Atom_Count	8
25007799	TPSA	110
56834575	Hydrogen_Bond_Acceptor_Count	7
59347	Exact_Mass	241.0869564
44342925	TPSA	23.5
66813453	Undefined_Bond_Stereo_Count	0
24194514	Exact_Mass	415.2026549
54608508	Defined_Bond_Stereo_Count	2
7714	Hydrogen_Bond_Donor_Count	0
21331	Rotatable_Bond_Count	1
129010089	Defined_Atom_Stereo_Count	15
186100	Rotatable_Bond_Count	4
424747	Hydrogen_Bond_Acceptor_Count	3
60196410	Undefined_Atom_Stereo_Count	0
64758	Rotatable_Bond_Count	19
98053103	Undefined_Bond_Stereo_Count	0
6432709	Total_Formal_Charge	0
23324969	Hydrogen_Bond_Acceptor_Count	0
23691019	Hydrogen_Bond_Donor_Count	0
9260	Exact_Mass	80.037448136
71361084	Molecular_Weight	114.08
124040753	XLogP3	1.4
4915	Structure_Complexity	210
62328	Undefined_Bond_Stereo_Count	0
32446	Molecular_Weight	357.9
36795	TPSA	30.5
211202	Undefined_Bond_Stereo_Count	0
12590456	Non-hydrogen_Atom_Count	7
520667	Total_Formal_Charge	0
119097556	Undefined_Bond_Stereo_Count	0
86399	Total_Formal_Charge	0
71151	Total_Formal_Charge	0
5958	Non-hydrogen_Atom_Count	16
2795222	XLogP3	0.3
435360	Rotatable_Bond_Count	1
90813484	Hydrogen_Bond_Acceptor_Count	2
68956	Defined_Atom_Stereo_Count	0
521324	Total_Formal_Charge	0
66099	Tautomer_Count	10
11729	Structure_Complexity	61.8
12386899	Structure_Complexity	122
44241626	Molecular_Weight	499.9
123835510	Hydrogen_Bond_Acceptor_Count	3
354785	Total_Formal_Charge	0
73376	Undefined_Bond_Stereo_Count	0
4845	Total_Formal_Charge	0
145996525	Total_Formal_Charge	0
699165	Non-hydrogen_Atom_Count	16
57707	Isotope_Atom_Count	0
85568	Structure_Complexity	158
447864	Exact_Mass	269.09241742
36687804	Undefined_Bond_Stereo_Count	0
5311027	TPSA	89.8
26117	Defined_Bond_Stereo_Count	0
3433	Defined_Bond_Stereo_Count	0
93922	Isotope_Atom_Count	0
6481	Covalent_Unit_Count	1
14257662	Isotope_Atom_Count	0
5379102	TPSA	29.1
21638785	Undefined_Atom_Stereo_Count	0
54075	TPSA	83.2
101598330	Mono_Isotopic_Weight	1111.64166516
10240772	Molecular_Weight	101.10
15228410	Structure_Complexity	96.7
2366	Mono_Isotopic_Weight	136.100048391
10104496	Defined_Atom_Stereo_Count	0
90220053	Rotatable_Bond_Count	0
54193461	Hydrogen_Bond_Donor_Count	0
9865554	Molecular_Weight	397.4
44521019	Non-hydrogen_Atom_Count	30
5366074	Undefined_Bond_Stereo_Count	0
2032313	Isotope_Atom_Count	0
44474	Undefined_Atom_Stereo_Count	2
70693116	Non-hydrogen_Atom_Count	31
56846609	XLogP3-AA	2.5
33625	Non-hydrogen_Atom_Count	26
13222108	Undefined_Bond_Stereo_Count	0
70190	Defined_Bond_Stereo_Count	0
9864154	TPSA	74.8
409746	Undefined_Bond_Stereo_Count	0
11622909	Hydrogen_Bond_Donor_Count	1
5359353	Structure_Complexity	536
53731118	Hydrogen_Bond_Donor_Count	2
156595875	Hydrogen_Bond_Acceptor_Count	18
1981	Defined_Bond_Stereo_Count	0
102678	Exact_Mass	580.4222973
180504	Non-hydrogen_Atom_Count	27
8907	Tautomer_Count	1
409474	Mono_Isotopic_Weight	283.157228913
53885557	Isotope_Atom_Count	0
712078	Total_Formal_Charge	0
146170507	Undefined_Atom_Stereo_Count	0
10134310	Exact_Mass	379.12019195
7756	Exact_Mass	115.099714038
634423	Hydrogen_Bond_Acceptor_Count	12
154809859	Undefined_Bond_Stereo_Count	1
484990	Structure_Complexity	377
5480230	Defined_Bond_Stereo_Count	0
7807	Hydrogen_Bond_Donor_Count	1
53869954	Isotope_Atom_Count	0
14502976	Undefined_Bond_Stereo_Count	0
66577114	Structure_Complexity	1650
12431567	Exact_Mass	98.073164938
441328	Rotatable_Bond_Count	4
21715653	Hydrogen_Bond_Donor_Count	0
60202781	Mono_Isotopic_Weight	700.39751874
2218	Covalent_Unit_Count	1
41625	Defined_Bond_Stereo_Count	0
115355	Covalent_Unit_Count	1
127036660	Molecular_Weight	355.6
44602409	Total_Formal_Charge	0
15439202	Undefined_Atom_Stereo_Count	2
68129	Mono_Isotopic_Weight	112.016043985
5932	Tautomer_Count	5
67278	Tautomer_Count	1
107879	Hydrogen_Bond_Acceptor_Count	8
12820525	Non-hydrogen_Atom_Count	7
54433749	Non-hydrogen_Atom_Count	7
25010738	Non-hydrogen_Atom_Count	30
15677238	Undefined_Bond_Stereo_Count	0
6527064	Molecular_Weight	634.5
71602803	XLogP3-AA	2.7
283242	XLogP3	2.1
12867748	Undefined_Bond_Stereo_Count	0
545093	Rotatable_Bond_Count	1
2190	Undefined_Atom_Stereo_Count	0
5648	Undefined_Atom_Stereo_Count	2
98472	Hydrogen_Bond_Acceptor_Count	6
493570	Structure_Complexity	680
15457	Structure_Complexity	43.3
46631	Total_Formal_Charge	0
23662264	Mono_Isotopic_Weight	217.906892
154269	XLogP3	3.3
53346592	TPSA	55.5
4093	Undefined_Bond_Stereo_Count	0
74576	Hydrogen_Bond_Donor_Count	0
28674	Exact_Mass	99.043261792
3845	Undefined_Bond_Stereo_Count	0
69158971	Hydrogen_Bond_Acceptor_Count	3
95890	Hydrogen_Bond_Acceptor_Count	1
6427097	Hydrogen_Bond_Donor_Count	0
138190	TPSA	20.2
6983	Total_Formal_Charge	0
70688569	Molecular_Weight	385.4
3513	Molecular_Weight	387.7
7090	Total_Formal_Charge	0
6401	Hydrogen_Bond_Donor_Count	0
3777	TPSA	83.8
544137	Non-hydrogen_Atom_Count	8
102197490	Structure_Complexity	2680
6427	Rotatable_Bond_Count	1
20056682	Hydrogen_Bond_Acceptor_Count	10
10082421	Hydrogen_Bond_Donor_Count	1
22728753	Covalent_Unit_Count	1
19816186	Structure_Complexity	107
71253	Mono_Isotopic_Weight	382.16747650
25183872	Hydrogen_Bond_Acceptor_Count	4
9819356	Non-hydrogen_Atom_Count	26
24229456	Mono_Isotopic_Weight	108.032362755
103023	Undefined_Atom_Stereo_Count	3
699570	Hydrogen_Bond_Acceptor_Count	4
92965	TPSA	20.3
102601886	TPSA	269
57363	Non-hydrogen_Atom_Count	27
941102	Defined_Bond_Stereo_Count	0
11349505	Structure_Complexity	315
19438210	Structure_Complexity	74.1
44176376	Non-hydrogen_Atom_Count	33
11715	Molecular_Weight	136.98
50989726	Isotope_Atom_Count	0
85382	Undefined_Atom_Stereo_Count	0
80009	Rotatable_Bond_Count	0
227112	Hydrogen_Bond_Donor_Count	2
8870	Defined_Bond_Stereo_Count	0
44348524	TPSA	60.7
76035516	Defined_Bond_Stereo_Count	0
68868	Covalent_Unit_Count	1
133268492	Exact_Mass	733.52411623
9554198	Covalent_Unit_Count	1
8906	XLogP3	7.2
27982	Rotatable_Bond_Count	2
7745	Non-hydrogen_Atom_Count	7
668418	Total_Formal_Charge	0
5360991	Hydrogen_Bond_Acceptor_Count	12
6956382	Defined_Atom_Stereo_Count	1
18079	Isotope_Atom_Count	0
21987892	Hydrogen_Bond_Donor_Count	0
91857355	Mono_Isotopic_Weight	342.11621151
185620	Non-hydrogen_Atom_Count	14
25612	Mono_Isotopic_Weight	156.151415257
80365	Mono_Isotopic_Weight	129.115364102
135444498	Molecular_Weight	152.19
91809622	Rotatable_Bond_Count	10
8151	Non-hydrogen_Atom_Count	9
13643838	Undefined_Bond_Stereo_Count	0
10407503	Rotatable_Bond_Count	4
22420437	Defined_Atom_Stereo_Count	0
358	Undefined_Bond_Stereo_Count	0
23418	Mono_Isotopic_Weight	274.14297583
101148	Covalent_Unit_Count	1
11249084	Rotatable_Bond_Count	6
526362	Mono_Isotopic_Weight	323.87854
14459015	Undefined_Atom_Stereo_Count	0
12066	Undefined_Bond_Stereo_Count	0
445248	Undefined_Atom_Stereo_Count	0
117783900	Undefined_Atom_Stereo_Count	3
3296738	Undefined_Bond_Stereo_Count	0
150679	Defined_Atom_Stereo_Count	0
53322382	Mono_Isotopic_Weight	268.07355886
115234	Molecular_Weight	500.8
71416	Hydrogen_Bond_Donor_Count	1
25164000	Covalent_Unit_Count	1
5288217	Undefined_Atom_Stereo_Count	0
34498	Undefined_Bond_Stereo_Count	0
9872634	Covalent_Unit_Count	1
116701091	Hydrogen_Bond_Donor_Count	2
968688	Hydrogen_Bond_Donor_Count	0
44454	Undefined_Bond_Stereo_Count	0
57327016	Exact_Mass	784.27781479
16051951	Defined_Atom_Stereo_Count	9
228005	Undefined_Atom_Stereo_Count	0
10307853	Total_Formal_Charge	0
13493719	Structure_Complexity	45.3
25209	Defined_Atom_Stereo_Count	0
11946	Exact_Mass	174.042927438
14251	TPSA	0
135398744	Defined_Atom_Stereo_Count	0
123314224	Undefined_Bond_Stereo_Count	0
61056	Exact_Mass	186.198365449
125134	Mono_Isotopic_Weight	588.96109
2829715	Hydrogen_Bond_Donor_Count	10
98047	Hydrogen_Bond_Donor_Count	1
253881	Tautomer_Count	1
123451	Total_Formal_Charge	0
45700	Hydrogen_Bond_Acceptor_Count	6
6322	Molecular_Weight	174.20
75534860	Isotope_Atom_Count	0
6604087	Hydrogen_Bond_Donor_Count	2
130845868	Structure_Complexity	96.7
637939	Undefined_Atom_Stereo_Count	0
8313	Exact_Mass	353.848008
63650	Exact_Mass	603.16337
69336	Exact_Mass	99.032028402
12295391	Covalent_Unit_Count	1
88440820	Non-hydrogen_Atom_Count	7
19801	Mono_Isotopic_Weight	154.135765193
65898	Tautomer_Count	10
136120826	Isotope_Atom_Count	0
12256033	Undefined_Bond_Stereo_Count	0
150718	Exact_Mass	292.121177757
36209	Hydrogen_Bond_Acceptor_Count	0
46843057	XLogP3-AA	4
15431	Hydrogen_Bond_Donor_Count	0
44190553	Molecular_Weight	280.37
18986489	Hydrogen_Bond_Donor_Count	2
14270	Undefined_Atom_Stereo_Count	0
129849349	Rotatable_Bond_Count	1
5353923	Hydrogen_Bond_Donor_Count	1
287983	Mono_Isotopic_Weight	85.089149355
53896476	Defined_Bond_Stereo_Count	0
75771	Non-hydrogen_Atom_Count	10
8249	Rotatable_Bond_Count	4
60572	Total_Formal_Charge	0
11382	Structure_Complexity	480
118946	Undefined_Atom_Stereo_Count	0
135391139	Molecular_Weight	785.9
19659	Defined_Atom_Stereo_Count	0
102239071	Exact_Mass	75.001473
23694214	Hydrogen_Bond_Donor_Count	2
11907	Isotope_Atom_Count	0
38971	Non-hydrogen_Atom_Count	29
8934	Molecular_Weight	319.2
3036640	Hydrogen_Bond_Acceptor_Count	11
6983	Hydrogen_Bond_Donor_Count	0
45488116	Isotope_Atom_Count	0
16048558	Hydrogen_Bond_Acceptor_Count	3
5201	Defined_Atom_Stereo_Count	0
6434112	Hydrogen_Bond_Donor_Count	3
4847	Undefined_Atom_Stereo_Count	0
1235	Hydrogen_Bond_Acceptor_Count	2
5282045	Non-hydrogen_Atom_Count	55
643209	Mono_Isotopic_Weight	121.052763847
78452	Tautomer_Count	1
24854	Exact_Mass	109.9002962
649230	Exact_Mass	424.16343649
6141	Molecular_Weight	340.3
210328	Undefined_Atom_Stereo_Count	0
16757521	Defined_Atom_Stereo_Count	5
14843146	Total_Formal_Charge	0
3052777	Mono_Isotopic_Weight	373.0384821
2082	Structure_Complexity	291
135564980	Molecular_Weight	348.4
91263754	Molecular_Weight	108.18
7567598	Total_Formal_Charge	0
73653033	Hydrogen_Bond_Donor_Count	1
23421180	Hydrogen_Bond_Donor_Count	1
46451	Molecular_Weight	221.29
541660	Covalent_Unit_Count	1
8095	Undefined_Bond_Stereo_Count	0
139084136	Total_Formal_Charge	0
13611196	XLogP3-AA	2.1
23677960	TPSA	81.6
4086	TPSA	72.7
125702	Defined_Bond_Stereo_Count	0
274070	Hydrogen_Bond_Donor_Count	1
137727	Rotatable_Bond_Count	1
154517172	Rotatable_Bond_Count	1
10180201	Structure_Complexity	567
44134844	Hydrogen_Bond_Acceptor_Count	31
5408	Rotatable_Bond_Count	0
70807	TPSA	75.2
40463608	Molecular_Weight	115.13
49792792	Structure_Complexity	415
61530	Undefined_Atom_Stereo_Count	6
121207282	Structure_Complexity	155
91582439	Isotope_Atom_Count	0
657309	Isotope_Atom_Count	0
9964078	Rotatable_Bond_Count	1
9832498	Total_Formal_Charge	0
546717	Covalent_Unit_Count	2
84029	TPSA	183
16210995	TPSA	74.4
4166882	Undefined_Bond_Stereo_Count	0
31186	Undefined_Atom_Stereo_Count	0
123314224	Hydrogen_Bond_Acceptor_Count	2
132594558	Isotope_Atom_Count	0
9593	Undefined_Bond_Stereo_Count	0
23674739	Defined_Atom_Stereo_Count	0
25024304	Structure_Complexity	690
84912	Tautomer_Count	1
72466	Structure_Complexity	2660
20759	XLogP3-AA	0.5
99050	Exact_Mass	325.215412493
34936	Undefined_Atom_Stereo_Count	0
12444299	TPSA	144
156580566	TPSA	125
91855653	Defined_Bond_Stereo_Count	0
5352833	TPSA	20.2
70016	Structure_Complexity	179
1291	Isotope_Atom_Count	0
123653016	Molecular_Weight	98.14
22759544	Hydrogen_Bond_Donor_Count	2
20543	Exact_Mass	456.045747
20652880	Hydrogen_Bond_Donor_Count	2
68557	Exact_Mass	557.29082182
79790	XLogP3-AA	3.5
21493122	Rotatable_Bond_Count	2
129628421	Rotatable_Bond_Count	16
66719	Hydrogen_Bond_Acceptor_Count	2
162636	Non-hydrogen_Atom_Count	11
2734162	Rotatable_Bond_Count	3
122639	Tautomer_Count	36
192925	Hydrogen_Bond_Acceptor_Count	1
12318317	Exact_Mass	131.073499291
492976	Total_Formal_Charge	0
26375	Molecular_Weight	128.25
39526	Isotope_Atom_Count	0
14223	Undefined_Bond_Stereo_Count	0
3213	Isotope_Atom_Count	0
71496458	XLogP3-AA	3.7
5885030	Non-hydrogen_Atom_Count	26
6456015	Hydrogen_Bond_Acceptor_Count	9
76444	Hydrogen_Bond_Donor_Count	1
122445050	TPSA	116
129691409	Defined_Bond_Stereo_Count	0
13029	Defined_Atom_Stereo_Count	0
11254	Mono_Isotopic_Weight	86.036779430
54012932	Molecular_Weight	172.22
123909	Undefined_Atom_Stereo_Count	1
443874	Defined_Atom_Stereo_Count	3
88464430	Hydrogen_Bond_Donor_Count	2
66124	Defined_Atom_Stereo_Count	1
6918283	Defined_Bond_Stereo_Count	0
162839	Defined_Atom_Stereo_Count	0
3744	Mono_Isotopic_Weight	189.078978594
96490	Defined_Bond_Stereo_Count	0
70545463	Defined_Atom_Stereo_Count	0
81233	Rotatable_Bond_Count	5
10249057	Isotope_Atom_Count	0
26560	XLogP3-AA	4.1
91302105	Hydrogen_Bond_Acceptor_Count	2
25008	Structure_Complexity	83.4
31411	Rotatable_Bond_Count	4
156428	Undefined_Bond_Stereo_Count	1
154354742	Undefined_Bond_Stereo_Count	0
70695634	Undefined_Bond_Stereo_Count	0
20772203	Non-hydrogen_Atom_Count	8
6367080	Total_Formal_Charge	1
121271792	Molecular_Weight	386.4
78916	Mono_Isotopic_Weight	449.0657594
46205407	Hydrogen_Bond_Donor_Count	4
9908783	Undefined_Bond_Stereo_Count	0
5293	Defined_Atom_Stereo_Count	0
10240761	Defined_Bond_Stereo_Count	0
101603227	Non-hydrogen_Atom_Count	52
87119	Structure_Complexity	372
154809629	Undefined_Atom_Stereo_Count	0
449593	Rotatable_Bond_Count	4
198429	TPSA	163
4940	XLogP3	4.8
12672	Undefined_Bond_Stereo_Count	0
11485656	Mono_Isotopic_Weight	375.14953838
16759310	Undefined_Bond_Stereo_Count	0
71449859	TPSA	114
40855	Isotope_Atom_Count	0
125449602	Exact_Mass	114.068079557
91768	Hydrogen_Bond_Acceptor_Count	8
10442	Undefined_Bond_Stereo_Count	0
44310852	TPSA	64.1
123816	Undefined_Bond_Stereo_Count	1
68903	Total_Formal_Charge	0
399895	Molecular_Weight	271.31
124823	Mono_Isotopic_Weight	274.04536905
7410	XLogP3	1.6
129864959	Hydrogen_Bond_Acceptor_Count	2
89822	Isotope_Atom_Count	0
9855350	Non-hydrogen_Atom_Count	101
25208	Hydrogen_Bond_Donor_Count	0
7886	Structure_Complexity	158
21118222	Defined_Atom_Stereo_Count	1
54587759	Mono_Isotopic_Weight	337.12265492
91556	TPSA	63.6
16555	Defined_Bond_Stereo_Count	0
5388510	Defined_Atom_Stereo_Count	0
3078952	Structure_Complexity	189
37968	Non-hydrogen_Atom_Count	29
136203056	Molecular_Weight	100.12
37248	Molecular_Weight	292.0
123841971	Non-hydrogen_Atom_Count	7
112239	Covalent_Unit_Count	1
9385	Hydrogen_Bond_Donor_Count	0
15376592	TPSA	9.2
91497205	Hydrogen_Bond_Donor_Count	1
9955951	Isotope_Atom_Count	0
52944340	Undefined_Bond_Stereo_Count	0
33838	Mono_Isotopic_Weight	240.968878
82162	Covalent_Unit_Count	1
108938	Defined_Bond_Stereo_Count	0
10313457	Total_Formal_Charge	0
54184524	Hydrogen_Bond_Donor_Count	1
154701779	Isotope_Atom_Count	0
123923329	Mono_Isotopic_Weight	284.271530387
10574415	Undefined_Atom_Stereo_Count	0
10417847	Defined_Bond_Stereo_Count	0
75581	Rotatable_Bond_Count	0
21547072	XLogP3-AA	0.9
21998212	Exact_Mass	101.047678466
55653	Molecular_Weight	263.16
66063	Hydrogen_Bond_Acceptor_Count	2
92839	Undefined_Bond_Stereo_Count	0
17834171	Covalent_Unit_Count	1
471895	Structure_Complexity	752
9960	Defined_Bond_Stereo_Count	0
3010347	Structure_Complexity	194
82479	Defined_Bond_Stereo_Count	0
19266	Structure_Complexity	207
70774	Non-hydrogen_Atom_Count	11
8628	Molecular_Weight	207.64
21883050	Hydrogen_Bond_Donor_Count	1
7491	Structure_Complexity	157
6852128	Undefined_Atom_Stereo_Count	0
135407175	Hydrogen_Bond_Acceptor_Count	7
49436	Structure_Complexity	259
3055171	Total_Formal_Charge	0
192630	Total_Formal_Charge	0
16990	Defined_Bond_Stereo_Count	0
74454	Isotope_Atom_Count	0
154731207	TPSA	191
15561185	Covalent_Unit_Count	1
20379467	Hydrogen_Bond_Acceptor_Count	3
25023853	Defined_Bond_Stereo_Count	0
140249	Defined_Bond_Stereo_Count	0
159772	Undefined_Bond_Stereo_Count	0
18377	Rotatable_Bond_Count	5
2736548	Undefined_Bond_Stereo_Count	0
543	Hydrogen_Bond_Acceptor_Count	6
23080859	Hydrogen_Bond_Acceptor_Count	2
78295	Structure_Complexity	229
45358055	Defined_Atom_Stereo_Count	4
5960	Defined_Atom_Stereo_Count	1
6219	Rotatable_Bond_Count	8
71963842	Structure_Complexity	2330
154517194	Molecular_Weight	111.18
129849	Hydrogen_Bond_Acceptor_Count	4
6540277	Undefined_Bond_Stereo_Count	0
18402	Rotatable_Bond_Count	4
145705978	Undefined_Bond_Stereo_Count	0
6515	Undefined_Bond_Stereo_Count	0
79865794	Rotatable_Bond_Count	0
547995	Non-hydrogen_Atom_Count	7
21658180	Non-hydrogen_Atom_Count	73
116161184	Isotope_Atom_Count	0
25917	Defined_Bond_Stereo_Count	0
2459	Hydrogen_Bond_Donor_Count	4
5130673	Defined_Bond_Stereo_Count	0
21702770	XLogP3-AA	0.1
158032	Molecular_Weight	223.23
107905	Total_Formal_Charge	0
6860	Hydrogen_Bond_Acceptor_Count	0
17076	Tautomer_Count	1
163727	Isotope_Atom_Count	0
513955	Mono_Isotopic_Weight	653.32470541
133633	Molecular_Weight	340.8
129010364	Molecular_Weight	665.7
84292	Isotope_Atom_Count	0
21158562	TPSA	87
19266	Isotope_Atom_Count	0
59850618	Total_Formal_Charge	0
154138519	Non-hydrogen_Atom_Count	7
7651	Isotope_Atom_Count	0
10629256	Undefined_Bond_Stereo_Count	0
25318	Tautomer_Count	1
14294923	Hydrogen_Bond_Donor_Count	1
444008	Mono_Isotopic_Weight	312.208930132
23662389	Mono_Isotopic_Weight	361.03445057
90993	Mono_Isotopic_Weight	244.121177757
14585707	Undefined_Atom_Stereo_Count	3
118513932	Non-hydrogen_Atom_Count	30
22981451	Covalent_Unit_Count	1
62465	Mono_Isotopic_Weight	152.083729621
85862	TPSA	52
46861584	XLogP3-AA	4
164513759	Molecular_Weight	114.10
248703	Total_Formal_Charge	0
65490	Covalent_Unit_Count	1
81120	Undefined_Bond_Stereo_Count	0
458645	Total_Formal_Charge	1
5951	Covalent_Unit_Count	1
75919	Total_Formal_Charge	0
13311902	Non-hydrogen_Atom_Count	7
971023	Rotatable_Bond_Count	6
77302	XLogP3-AA	1.3
129743136	XLogP3-AA	0.1
138062	Total_Formal_Charge	0
97724	Structure_Complexity	158
154522078	Defined_Atom_Stereo_Count	0
123239743	Non-hydrogen_Atom_Count	8
21941690	Rotatable_Bond_Count	0
107800	Tautomer_Count	2
2877	Structure_Complexity	330
20766	Hydrogen_Bond_Donor_Count	0
323180	Hydrogen_Bond_Acceptor_Count	3
366248	Hydrogen_Bond_Acceptor_Count	4
13035	Exact_Mass	141.151749610
53234134	Non-hydrogen_Atom_Count	45
465069	Hydrogen_Bond_Donor_Count	0
39665	Isotope_Atom_Count	0
43226	XLogP3	3.6
62158	Exact_Mass	242.09027155
78145	Hydrogen_Bond_Acceptor_Count	3
3517	Total_Formal_Charge	0
9938420	Mono_Isotopic_Weight	590.23497872
13000487	Non-hydrogen_Atom_Count	1
4553	Undefined_Atom_Stereo_Count	0
9218	Defined_Atom_Stereo_Count	0
16699	XLogP3-AA	0.3
7858	Hydrogen_Bond_Acceptor_Count	1
140672839	Structure_Complexity	853
84647683	Undefined_Atom_Stereo_Count	0
1476655	XLogP3-AA	1.5
5288252	Total_Formal_Charge	0
118248246	Covalent_Unit_Count	1
52141942	Non-hydrogen_Atom_Count	8
10275789	XLogP3-AA	3.8
409	XLogP3-AA	0.7
20262675	Structure_Complexity	131
9855476	Structure_Complexity	154
17860	Tautomer_Count	1
99478	Defined_Bond_Stereo_Count	0
443408	XLogP3	3.6
18622352	XLogP3-AA	0.3
5636	Defined_Bond_Stereo_Count	0
79196	XLogP3-AA	0
10909515	Molecular_Weight	107.11
21566834	Exact_Mass	113.058911855
161930	Total_Formal_Charge	0
93841	Exact_Mass	258.15795719
46830487	TPSA	56.7
112412	TPSA	50.9
641001	Undefined_Bond_Stereo_Count	0
58143010	Undefined_Atom_Stereo_Count	0
46202081	Defined_Bond_Stereo_Count	0
67850	Structure_Complexity	134
443495	Undefined_Atom_Stereo_Count	0
13538	Covalent_Unit_Count	1
20220682	Hydrogen_Bond_Acceptor_Count	2
72929	Exact_Mass	136.063662883
78960	Hydrogen_Bond_Donor_Count	0
26738	Molecular_Weight	368.5
88525	Undefined_Atom_Stereo_Count	0
10534631	Hydrogen_Bond_Donor_Count	1
521076	Covalent_Unit_Count	1
5765	TPSA	37.3
12877	Undefined_Atom_Stereo_Count	0
72187569	Structure_Complexity	557
17820196	Defined_Atom_Stereo_Count	0
15558252	Defined_Bond_Stereo_Count	0
6324668	TPSA	190
58490287	Defined_Atom_Stereo_Count	0
7285	Hydrogen_Bond_Donor_Count	0
17842350	TPSA	28.7
55604	Hydrogen_Bond_Acceptor_Count	7
44299	Undefined_Atom_Stereo_Count	0
966	Defined_Bond_Stereo_Count	0
161094262	Total_Formal_Charge	0
18512474	Defined_Bond_Stereo_Count	0
163613625	Defined_Bond_Stereo_Count	0
148241675	Hydrogen_Bond_Donor_Count	2
13611188	Rotatable_Bond_Count	0
94314	TPSA	50.6
439518	Hydrogen_Bond_Acceptor_Count	9
6748	Rotatable_Bond_Count	0
14500	Defined_Atom_Stereo_Count	0
9322	Exact_Mass	57.97514518
15575641	TPSA	41.6
14106	Undefined_Bond_Stereo_Count	0
66119	Structure_Complexity	44.8
151117	Hydrogen_Bond_Acceptor_Count	7
53940530	Mono_Isotopic_Weight	112.052429494
7369	Mono_Isotopic_Weight	175.9698783
442372	Hydrogen_Bond_Acceptor_Count	5
136880	Covalent_Unit_Count	1
125	XLogP3	0.2
136237946	Isotope_Atom_Count	0
75518	TPSA	20.2
6779	Defined_Bond_Stereo_Count	0
234105	Structure_Complexity	724
894327	XLogP3-AA	2.9
136183446	Undefined_Bond_Stereo_Count	0
179338	Defined_Bond_Stereo_Count	0
101671175	Covalent_Unit_Count	1
16682930	Hydrogen_Bond_Donor_Count	0
12303424	TPSA	58.6
140979598	Defined_Atom_Stereo_Count	0
72506564	Isotope_Atom_Count	0
11530695	Tautomer_Count	3
6417	Defined_Bond_Stereo_Count	0
14281432	Rotatable_Bond_Count	1
2811	Undefined_Atom_Stereo_Count	0
611370	Covalent_Unit_Count	1
24762	Undefined_Atom_Stereo_Count	0
3082754	Undefined_Bond_Stereo_Count	0
9804302	Molecular_Weight	460.6
5368053	Hydrogen_Bond_Acceptor_Count	5
2724537	Exact_Mass	73.089149355
9793848	Rotatable_Bond_Count	3
2106900	Undefined_Atom_Stereo_Count	0
10415	XLogP3-AA	2.8
131843960	Rotatable_Bond_Count	4
7842	Defined_Atom_Stereo_Count	0
634	Undefined_Atom_Stereo_Count	3
165574	Undefined_Atom_Stereo_Count	2
11040632	Defined_Atom_Stereo_Count	0
15982149	Structure_Complexity	905
74356	Total_Formal_Charge	0
5240	Hydrogen_Bond_Donor_Count	1
34134	Hydrogen_Bond_Donor_Count	1
60148207	Undefined_Atom_Stereo_Count	0
36190	Hydrogen_Bond_Donor_Count	0
24892840	Exact_Mass	446.1472106
38254	Undefined_Bond_Stereo_Count	0
7611	Structure_Complexity	11.6
23982	Mono_Isotopic_Weight	157.92411
89248	Defined_Atom_Stereo_Count	0
12285877	Undefined_Atom_Stereo_Count	0
68583	Molecular_Weight	505.7
99129	XLogP3-AA	0.1
54688706	Tautomer_Count	168
556172	Defined_Bond_Stereo_Count	0
533460	Mono_Isotopic_Weight	71.073499291
7483	Molecular_Weight	152.15
87468122	Covalent_Unit_Count	1
160435	Rotatable_Bond_Count	0
9926842	Undefined_Atom_Stereo_Count	0
9942228	Covalent_Unit_Count	2
20972	Hydrogen_Bond_Acceptor_Count	2
3365553	Exact_Mass	87.068413911
2775103	Mono_Isotopic_Weight	222.01399312
91169276	Defined_Atom_Stereo_Count	0
18324177	Non-hydrogen_Atom_Count	7
83803459	Undefined_Bond_Stereo_Count	0
88093945	Defined_Atom_Stereo_Count	4
169986	Undefined_Atom_Stereo_Count	0
53395259	Tautomer_Count	14
12543	Undefined_Bond_Stereo_Count	0
274082	Exact_Mass	548.12131415
19845539	Hydrogen_Bond_Acceptor_Count	3
22314	Structure_Complexity	437
21908476	Hydrogen_Bond_Donor_Count	1
11073348	Hydrogen_Bond_Donor_Count	2
74989	Defined_Atom_Stereo_Count	0
701186	Mono_Isotopic_Weight	304.0614700
68986	Hydrogen_Bond_Donor_Count	1
10307849	XLogP3-AA	0.8
53441735	TPSA	38.1
54900	Non-hydrogen_Atom_Count	35
15927	Covalent_Unit_Count	2
339213	Defined_Atom_Stereo_Count	0
153685445	Exact_Mass	95.073499291
4114	Undefined_Bond_Stereo_Count	0
117846599	Total_Formal_Charge	0
18711468	Mono_Isotopic_Weight	96.093900383
3081358	TPSA	84.9
123888456	Defined_Atom_Stereo_Count	0
143946	Hydrogen_Bond_Donor_Count	0
71737801	Undefined_Bond_Stereo_Count	0
449488	Rotatable_Bond_Count	0
46871657	Covalent_Unit_Count	1
46206977	Mono_Isotopic_Weight	411.14953838
2227	Hydrogen_Bond_Donor_Count	4
129681809	Mono_Isotopic_Weight	223.10558726
28187	Non-hydrogen_Atom_Count	14
14143522	Defined_Bond_Stereo_Count	0
251070	TPSA	52.6
53316396	Defined_Atom_Stereo_Count	0
518700	Defined_Bond_Stereo_Count	0
2863945	Defined_Bond_Stereo_Count	0
5362449	Hydrogen_Bond_Acceptor_Count	2
9371	Defined_Atom_Stereo_Count	0
57100887	Exact_Mass	87.068413911
10058	Total_Formal_Charge	0
40903	Structure_Complexity	763
5375177	Hydrogen_Bond_Acceptor_Count	2
12309466	TPSA	54.7
98930	Undefined_Atom_Stereo_Count	1
5484286	XLogP3	3
66144	TPSA	43.4
138756229	Hydrogen_Bond_Donor_Count	2
13006129	Non-hydrogen_Atom_Count	22
7789	XLogP3	6.5
131801471	Non-hydrogen_Atom_Count	457
18403043	Molecular_Weight	499.5
24746982	XLogP3-AA	3.3
10197646	Rotatable_Bond_Count	0
44560080	Covalent_Unit_Count	1
8099	Exact_Mass	240.05936535
20914	TPSA	81.9
4329	TPSA	303
137184495	Undefined_Bond_Stereo_Count	0
441364	Covalent_Unit_Count	2
4469994	Covalent_Unit_Count	1
20072996	Hydrogen_Bond_Donor_Count	2
33802	Tautomer_Count	1
50516	Hydrogen_Bond_Donor_Count	1
130388990	TPSA	29.5
68947	Molecular_Weight	322.9
59772	Molecular_Weight	413.5
68604	Hydrogen_Bond_Donor_Count	0
57072308	Hydrogen_Bond_Donor_Count	1
9794159	Defined_Bond_Stereo_Count	0
20864	Covalent_Unit_Count	1
31497	Molecular_Weight	235.28
6331075	Total_Formal_Charge	0
123662875	Undefined_Bond_Stereo_Count	0
3033821	XLogP3-AA	2.4
87357201	Structure_Complexity	291
58376229	TPSA	29.5
86999	Defined_Bond_Stereo_Count	0
6432236	Undefined_Atom_Stereo_Count	0
449435	Rotatable_Bond_Count	8
60575	Hydrogen_Bond_Donor_Count	0
157350	Rotatable_Bond_Count	0
153241	Molecular_Weight	452.5
96281	TPSA	146
2734228	Undefined_Atom_Stereo_Count	0
11542775	Defined_Atom_Stereo_Count	0
135398003	Hydrogen_Bond_Acceptor_Count	3
54	Isotope_Atom_Count	0
51051642	Isotope_Atom_Count	0
24972883	Mono_Isotopic_Weight	98.073164938
14257662	Molecular_Weight	1040.2
71681009	Defined_Atom_Stereo_Count	0
4790	Molecular_Weight	260.4
60196351	Structure_Complexity	340
12734569	Molecular_Weight	112.17
54758035	Covalent_Unit_Count	1
86017	Hydrogen_Bond_Acceptor_Count	4
10931233	Hydrogen_Bond_Acceptor_Count	27
444514	Total_Formal_Charge	0
194383	Isotope_Atom_Count	0
3532561	Total_Formal_Charge	0
334657	Undefined_Atom_Stereo_Count	0
15290	Total_Formal_Charge	0
29936	TPSA	0
66599893	Tautomer_Count	15
12001831	TPSA	97.3
5884629	Exact_Mass	904.44565070
90066559	Structure_Complexity	63.1
5459958	Mono_Isotopic_Weight	159.06573383
165	Molecular_Weight	172.16
144456	Rotatable_Bond_Count	2
179338	Defined_Atom_Stereo_Count	0
13925	XLogP3-AA	4.4
24367	Tautomer_Count	2
241793	XLogP3-AA	0.5
708857	Covalent_Unit_Count	1
10898949	Hydrogen_Bond_Donor_Count	2
2734673	Defined_Atom_Stereo_Count	0
18218196	Covalent_Unit_Count	1
4274588	Defined_Bond_Stereo_Count	0
11969542	Mono_Isotopic_Weight	442.23553880
16219042	Hydrogen_Bond_Acceptor_Count	2
9102	Hydrogen_Bond_Donor_Count	0
11528340	Molecular_Weight	118.13
97983	Undefined_Atom_Stereo_Count	0
436543	TPSA	3.2
18612333	Hydrogen_Bond_Acceptor_Count	0
7738	Mono_Isotopic_Weight	138.068079557
151093	Undefined_Atom_Stereo_Count	0
73433376	Non-hydrogen_Atom_Count	7
12110098	Rotatable_Bond_Count	2
20592404	Defined_Atom_Stereo_Count	0
19380118	Defined_Atom_Stereo_Count	0
6434622	Non-hydrogen_Atom_Count	29
99807	Total_Formal_Charge	0
165411832	Hydrogen_Bond_Acceptor_Count	14
14355861	Undefined_Atom_Stereo_Count	0
31246	Tautomer_Count	2
56682312	XLogP3-AA	3.2
428	Hydrogen_Bond_Acceptor_Count	2
11962267	Defined_Atom_Stereo_Count	0
135052535	Total_Formal_Charge	0
4640670	Hydrogen_Bond_Acceptor_Count	6
21058180	Undefined_Bond_Stereo_Count	0
21824035	Rotatable_Bond_Count	0
402871	Defined_Bond_Stereo_Count	0
8394	Covalent_Unit_Count	1
31068	Undefined_Atom_Stereo_Count	1
136247302	Defined_Bond_Stereo_Count	0
86461	Undefined_Atom_Stereo_Count	0
148816436	Defined_Atom_Stereo_Count	0
11269	Mono_Isotopic_Weight	114.140850574
517327	Defined_Bond_Stereo_Count	0
439210	Exact_Mass	211.953380
439282	Undefined_Bond_Stereo_Count	0
5040	XLogP3-AA	6
123286573	XLogP3-AA	0.1
153818183	Molecular_Weight	324.3
12194	Molecular_Weight	116.16
10256668	TPSA	0
168870	Structure_Complexity	1210
445461	Hydrogen_Bond_Donor_Count	9
61674	Total_Formal_Charge	0
1550694	Molecular_Weight	360.5
57272093	TPSA	26.3
73720	Molecular_Weight	166.29
9238	Defined_Atom_Stereo_Count	0
193581	Exact_Mass	108.05349212
248271	Total_Formal_Charge	0
227085	Rotatable_Bond_Count	2
102601371	Defined_Bond_Stereo_Count	0
444234	TPSA	29.9
5249080	Hydrogen_Bond_Donor_Count	0
5358751	Rotatable_Bond_Count	5
100937012	Isotope_Atom_Count	0
6509870	Covalent_Unit_Count	1
83517	Tautomer_Count	1
53692307	TPSA	39.2
136649153	Non-hydrogen_Atom_Count	15
29746	Molecular_Weight	182.30
87329230	Defined_Bond_Stereo_Count	0
5447	Mono_Isotopic_Weight	122.04015073
60803	TPSA	58.3
8166	TPSA	17.1
5283748	XLogP3-AA	5
133611945	Undefined_Bond_Stereo_Count	0
72200722	Isotope_Atom_Count	0
101526739	Exact_Mass	940.42049858
20807398	XLogP3-AA	6.7
22833502	Mono_Isotopic_Weight	289.920654
10784	Undefined_Bond_Stereo_Count	0
53432675	Covalent_Unit_Count	4
11404337	Rotatable_Bond_Count	2
77173	Molecular_Weight	580.9
3440	Covalent_Unit_Count	1
6444353	Mono_Isotopic_Weight	385.0878830
87870897	Undefined_Atom_Stereo_Count	0
57656833	Isotope_Atom_Count	0
21552514	TPSA	50.1
137547	Mono_Isotopic_Weight	84.021129366
105026	Undefined_Bond_Stereo_Count	0
82148	Undefined_Bond_Stereo_Count	0
3034278	Total_Formal_Charge	0
53837146	Rotatable_Bond_Count	3
47628	Isotope_Atom_Count	0
18004304	Hydrogen_Bond_Acceptor_Count	3
24865999	Undefined_Atom_Stereo_Count	0
164608	Total_Formal_Charge	0
119499	Non-hydrogen_Atom_Count	13
197	Undefined_Atom_Stereo_Count	4
91216087	Undefined_Atom_Stereo_Count	2
22344	Rotatable_Bond_Count	0
58463204	Molecular_Weight	108.18
131750179	Molecular_Weight	1109.3
139595999	Undefined_Atom_Stereo_Count	3
5282474	Non-hydrogen_Atom_Count	35
622236	XLogP3-AA	4.5
6552009	Defined_Bond_Stereo_Count	0
93171	Hydrogen_Bond_Donor_Count	0
56623654	Covalent_Unit_Count	1
9852746	Defined_Atom_Stereo_Count	0
6365	Hydrogen_Bond_Acceptor_Count	0
71457010	Hydrogen_Bond_Acceptor_Count	5
13485	Exact_Mass	368.04095237
2153	Structure_Complexity	267
53393621	Molecular_Weight	364.9
30692	Exact_Mass	237.96931172
439353	Hydrogen_Bond_Acceptor_Count	6
167724	Tautomer_Count	1
8042	Hydrogen_Bond_Acceptor_Count	2
4898	Hydrogen_Bond_Acceptor_Count	6
136725	Total_Formal_Charge	0
10263	Defined_Bond_Stereo_Count	0
10364560	XLogP3-AA	2
12320138	Exact_Mass	112.052429494
14586	XLogP3	4.3
18343309	Structure_Complexity	118
12364760	Hydrogen_Bond_Acceptor_Count	1
12468302	Exact_Mass	97.052763847
6437377	Defined_Bond_Stereo_Count	1
13010228	Molecular_Weight	98.10
91589206	Rotatable_Bond_Count	1
520942	TPSA	9.2
12809444	Mono_Isotopic_Weight	179.058243149
8052	Molecular_Weight	116.16
1246103	TPSA	36.4
10419153	Rotatable_Bond_Count	3
13961743	Rotatable_Bond_Count	5
9421	Total_Formal_Charge	0
721395	Hydrogen_Bond_Acceptor_Count	5
3043606	Tautomer_Count	1
5228468	Total_Formal_Charge	0
84733	Defined_Atom_Stereo_Count	0
89338	Total_Formal_Charge	0
122236791	Hydrogen_Bond_Donor_Count	1
9918381	Total_Formal_Charge	0
67511	Tautomer_Count	1
1982	Rotatable_Bond_Count	3
12242918	Mono_Isotopic_Weight	24.064197125
71680844	Undefined_Atom_Stereo_Count	1
54929	Rotatable_Bond_Count	6
9731	Non-hydrogen_Atom_Count	8
8310	Isotope_Atom_Count	0
5357179	Undefined_Atom_Stereo_Count	0
12882458	Undefined_Bond_Stereo_Count	0
9934643	Non-hydrogen_Atom_Count	34
140751	Hydrogen_Bond_Acceptor_Count	1
116842253	Exact_Mass	109.089149355
14740383	Mono_Isotopic_Weight	98.073164938
10080906	Molecular_Weight	176.22
12316	Tautomer_Count	1
706485	Rotatable_Bond_Count	3
131841462	Isotope_Atom_Count	0
5282387	Molecular_Weight	370.59
72741173	Hydrogen_Bond_Donor_Count	1
9834478	Hydrogen_Bond_Donor_Count	3
354520	Defined_Bond_Stereo_Count	0
6321424	XLogP3-AA	4.1
2733928	Covalent_Unit_Count	2
17841522	Total_Formal_Charge	0
547686	Molecular_Weight	117.15
66587064	Hydrogen_Bond_Donor_Count	2
53673	Structure_Complexity	191
20357	Molecular_Weight	172.26
87809064	Undefined_Atom_Stereo_Count	0
1758	Structure_Complexity	356
24762228	Defined_Atom_Stereo_Count	2
36750	Molecular_Weight	341.4
78179	Isotope_Atom_Count	0
14107712	Non-hydrogen_Atom_Count	20
91298633	Undefined_Bond_Stereo_Count	0
693315	Structure_Complexity	354
10949	Molecular_Weight	125.13
7848	Non-hydrogen_Atom_Count	4
66895	Molecular_Weight	291.33
16122553	Covalent_Unit_Count	1
137716	Undefined_Atom_Stereo_Count	0
5890	Isotope_Atom_Count	0
44558536	Mono_Isotopic_Weight	373.1808568
107751	Undefined_Bond_Stereo_Count	0
20591068	Undefined_Atom_Stereo_Count	2
76004	Total_Formal_Charge	0
17981364	TPSA	66.7
21670825	Defined_Atom_Stereo_Count	5
24916760	Covalent_Unit_Count	1
77890	TPSA	26
82148	Hydrogen_Bond_Acceptor_Count	2
3000241	Undefined_Atom_Stereo_Count	2
68602	Defined_Bond_Stereo_Count	0
94495	Undefined_Bond_Stereo_Count	0
58806244	Isotope_Atom_Count	0
81166	Exact_Mass	199.06669983
83818	Total_Formal_Charge	0
12138	Total_Formal_Charge	0
89843393	Isotope_Atom_Count	0
12363	Defined_Atom_Stereo_Count	0
41245	Mono_Isotopic_Weight	318.230728204
11286501	Defined_Bond_Stereo_Count	0
15221251	Rotatable_Bond_Count	1
77378	Defined_Bond_Stereo_Count	0
8894	Total_Formal_Charge	0
135413545	Molecular_Weight	579.1
3917956	Molecular_Weight	201.00
2467	TPSA	48
95162412	Structure_Complexity	382
89390979	Defined_Atom_Stereo_Count	0
101260859	Total_Formal_Charge	0
16133793	Covalent_Unit_Count	1
13236258	Total_Formal_Charge	0
8388	Covalent_Unit_Count	1
19883311	Molecular_Weight	102.14
89076189	Undefined_Atom_Stereo_Count	0
12400909	Exact_Mass	92.026214747
14057	TPSA	37.3
55287849	Hydrogen_Bond_Donor_Count	2
4604180	Rotatable_Bond_Count	8
13785328	Molecular_Weight	384.5
57548589	Hydrogen_Bond_Donor_Count	0
449281	Covalent_Unit_Count	1
13329881	Tautomer_Count	1
69885	Undefined_Bond_Stereo_Count	0
78131	Covalent_Unit_Count	1
13472	Defined_Atom_Stereo_Count	5
18445434	Isotope_Atom_Count	0
96356	Covalent_Unit_Count	1
96281	Structure_Complexity	550
28936	Mono_Isotopic_Weight	425.94662
6603693	Exact_Mass	446.11140092
544180	Defined_Bond_Stereo_Count	0
4973027	Isotope_Atom_Count	0
77050711	Undefined_Bond_Stereo_Count	0
88051007	Covalent_Unit_Count	1
85669790	XLogP3-AA	1.7
9841075	Isotope_Atom_Count	0
47909	Undefined_Bond_Stereo_Count	1
6419965	Mono_Isotopic_Weight	370.11985760
53484283	Hydrogen_Bond_Acceptor_Count	2
111206	Structure_Complexity	55
70355	Covalent_Unit_Count	1
72402	Mono_Isotopic_Weight	363.12190603
11366954	Molecular_Weight	97.12
10191021	Isotope_Atom_Count	0
1457	Isotope_Atom_Count	0
98511	Rotatable_Bond_Count	2
6603836	Undefined_Bond_Stereo_Count	0
85595	Undefined_Atom_Stereo_Count	0
91822	Undefined_Bond_Stereo_Count	0
24191	Defined_Bond_Stereo_Count	0
62695	Undefined_Bond_Stereo_Count	0
16154490	Exact_Mass	1663.4923528
123359989	Hydrogen_Bond_Donor_Count	2
640759	Molecular_Weight	131.17
57505377	Rotatable_Bond_Count	2
6818	Molecular_Weight	334.4
24884361	Mono_Isotopic_Weight	184.219100893
143852	Structure_Complexity	91.2
1798	Non-hydrogen_Atom_Count	14
54394834	Rotatable_Bond_Count	7
123237074	XLogP3-AA	1.1
572852	Total_Formal_Charge	0
54595898	Isotope_Atom_Count	0
748	Mono_Isotopic_Weight	387.04062148
18442682	Hydrogen_Bond_Acceptor_Count	1
7158	Undefined_Atom_Stereo_Count	1
71460924	Exact_Mass	525.2030488
85922476	Molecular_Weight	110.15
135446210	Defined_Bond_Stereo_Count	0
6457	Mono_Isotopic_Weight	260.120115130
6971096	Covalent_Unit_Count	1
454	Hydrogen_Bond_Acceptor_Count	1
137994	Structure_Complexity	159
5080759	Mono_Isotopic_Weight	230.094294304
71434160	Rotatable_Bond_Count	6
135398559	Hydrogen_Bond_Acceptor_Count	10
8667	Undefined_Bond_Stereo_Count	0
461	Hydrogen_Bond_Donor_Count	0
75274	XLogP3-AA	0.5
59216333	Mono_Isotopic_Weight	111.043261792
2803	Exact_Mass	229.0173527
56955282	Isotope_Atom_Count	0
9945927	Rotatable_Bond_Count	5
18936580	TPSA	21.3
509864	Structure_Complexity	554
32123	Undefined_Bond_Stereo_Count	0
6918314	XLogP3-AA	4
59894	Defined_Bond_Stereo_Count	0
24848325	Isotope_Atom_Count	0
99382	Mono_Isotopic_Weight	227.94360
478809	Covalent_Unit_Count	1
53384934	Hydrogen_Bond_Donor_Count	7
136674	Total_Formal_Charge	0
14181658	Mono_Isotopic_Weight	487.22782765
10288	TPSA	60.7
36185	Undefined_Atom_Stereo_Count	0
1549778	Undefined_Bond_Stereo_Count	0
15774823	Hydrogen_Bond_Donor_Count	0
129679806	Total_Formal_Charge	0
19425	Mono_Isotopic_Weight	80.037448136
41505	TPSA	105
3548	Total_Formal_Charge	0
82472	Undefined_Atom_Stereo_Count	0
444635	Hydrogen_Bond_Acceptor_Count	9
12599698	Defined_Bond_Stereo_Count	0
70129	Structure_Complexity	139
66	Exact_Mass	161.9639201
156519226	Isotope_Atom_Count	0
15016080	TPSA	48.9
14146220	Isotope_Atom_Count	0
5464262	Covalent_Unit_Count	4
23571381	Non-hydrogen_Atom_Count	8
131748870	Molecular_Weight	69.86
21863610	Covalent_Unit_Count	1
52942212	Hydrogen_Bond_Donor_Count	1
574495	Undefined_Atom_Stereo_Count	12
2227	Rotatable_Bond_Count	5
55276371	Tautomer_Count	1
12740462	Total_Formal_Charge	0
71987	Non-hydrogen_Atom_Count	18
86965	Covalent_Unit_Count	1
135673987	Covalent_Unit_Count	1
98493	Defined_Atom_Stereo_Count	0
5323984	XLogP3-AA	1.1
21753162	TPSA	55.6
129861481	Rotatable_Bond_Count	0
9898619	XLogP3-AA	0.6
23167053	TPSA	59
12049	Tautomer_Count	1
509554	Non-hydrogen_Atom_Count	27
118142807	Mono_Isotopic_Weight	126.042927438
129905275	Hydrogen_Bond_Donor_Count	4
9888075	Mono_Isotopic_Weight	415.19948764
55993	Mono_Isotopic_Weight	238.146998583
100984821	Hydrogen_Bond_Donor_Count	5
688930	Exact_Mass	286.0396719
443942	Rotatable_Bond_Count	4
8280	XLogP3-AA	0.8
135398733	Defined_Atom_Stereo_Count	0
8680	Undefined_Bond_Stereo_Count	0
138496	TPSA	50.8
74353448	Mono_Isotopic_Weight	556.18755704
824060	TPSA	71.9
54742254	Tautomer_Count	26
70851	Defined_Atom_Stereo_Count	0
10208	Undefined_Bond_Stereo_Count	0
19077552	TPSA	23.5
22832	Structure_Complexity	1640
13738268	Hydrogen_Bond_Donor_Count	0
65909	Hydrogen_Bond_Donor_Count	1
74339141	Isotope_Atom_Count	0
9953769	Non-hydrogen_Atom_Count	31
55255930	TPSA	12
10202381	Exact_Mass	421.23409708
1108	Non-hydrogen_Atom_Count	17
3035914	Total_Formal_Charge	0
888374	Non-hydrogen_Atom_Count	15
54572303	Rotatable_Bond_Count	2
74195	Non-hydrogen_Atom_Count	20
345367	Total_Formal_Charge	0
61585	XLogP3-AA	5
15973	Mono_Isotopic_Weight	357.11134135
3455	Exact_Mass	450.24826997
2723922	Total_Formal_Charge	0
5487427	Exact_Mass	392.09902553
118984457	Undefined_Atom_Stereo_Count	0
13342	Non-hydrogen_Atom_Count	59
1302	Total_Formal_Charge	0
139078440	Defined_Bond_Stereo_Count	0
5001396	Defined_Atom_Stereo_Count	0
439811	Isotope_Atom_Count	0
9048	Total_Formal_Charge	0
24728612	Molecular_Weight	776.6
668531	Non-hydrogen_Atom_Count	19
15535737	Hydrogen_Bond_Acceptor_Count	2
16533	Molecular_Weight	476.6
17129	Hydrogen_Bond_Donor_Count	0
21956312	Structure_Complexity	98.6
18374068	Hydrogen_Bond_Acceptor_Count	5
5729	Molecular_Weight	233.19
12387212	Structure_Complexity	54.9
9812772	Non-hydrogen_Atom_Count	8
69986	Total_Formal_Charge	0
21856472	Undefined_Bond_Stereo_Count	0
3264839	Total_Formal_Charge	0
60924	Hydrogen_Bond_Acceptor_Count	4
19028568	Isotope_Atom_Count	0
26383	Hydrogen_Bond_Donor_Count	1
9574101	Structure_Complexity	731
54726192	Defined_Bond_Stereo_Count	0
5793	Molecular_Weight	180.16
4930	Isotope_Atom_Count	0
63991	Molecular_Weight	533.5
23665410	Undefined_Atom_Stereo_Count	2
24825265	Structure_Complexity	746
565674	Mono_Isotopic_Weight	180.151415257
56972736	Structure_Complexity	105
3003791	Rotatable_Bond_Count	2
140120	Mono_Isotopic_Weight	113.022526347
11194306	TPSA	29.1
341	Defined_Atom_Stereo_Count	0
630689	Molecular_Weight	336.4
14815788	Total_Formal_Charge	0
16733194	Defined_Atom_Stereo_Count	0
7850	Tautomer_Count	1
5311181	Isotope_Atom_Count	0
6435335	Undefined_Bond_Stereo_Count	0
15442507	XLogP3-AA	0.7
24465	Mono_Isotopic_Weight	247.930592
135697	Exact_Mass	112.016043985
14909256	Covalent_Unit_Count	1
5359853	Defined_Atom_Stereo_Count	0
13213307	Total_Formal_Charge	0
112214	Molecular_Weight	114.10
145994868	TPSA	1390
657087	Isotope_Atom_Count	0
519539	Defined_Bond_Stereo_Count	0
236146	TPSA	23.8
53741494	Undefined_Bond_Stereo_Count	0
71112644	Total_Formal_Charge	0
64813	Hydrogen_Bond_Donor_Count	0
446495	Isotope_Atom_Count	0
96316	XLogP3-AA	0.5
20759	Exact_Mass	150.068079557
2490	Isotope_Atom_Count	0
843190	Hydrogen_Bond_Acceptor_Count	3
73415798	Covalent_Unit_Count	3
55651	Defined_Bond_Stereo_Count	0
1217	Undefined_Bond_Stereo_Count	0
46244453	Hydrogen_Bond_Donor_Count	1
87402170	Isotope_Atom_Count	0
11523	XLogP3-AA	3.8
7658	Hydrogen_Bond_Acceptor_Count	2
21040078	Hydrogen_Bond_Donor_Count	1
3034645	Non-hydrogen_Atom_Count	8
25195346	Exact_Mass	478.29439109
80320	XLogP3-AA	1.4
4118151	Structure_Complexity	292
436482	Non-hydrogen_Atom_Count	14
52291	Hydrogen_Bond_Donor_Count	1
74470	Defined_Bond_Stereo_Count	0
6436061	Exact_Mass	246.06405680
23677989	Hydrogen_Bond_Donor_Count	6
11787	Molecular_Weight	178.61
518944	Rotatable_Bond_Count	1
3661	Structure_Complexity	353
13443454	Undefined_Bond_Stereo_Count	0
567118	TPSA	64.9
82452	Undefined_Bond_Stereo_Count	0
169110	Undefined_Bond_Stereo_Count	0
159952	Structure_Complexity	196
969472	Undefined_Atom_Stereo_Count	0
91984	Undefined_Bond_Stereo_Count	0
97006	Tautomer_Count	2
15287	Covalent_Unit_Count	1
9855476	Hydrogen_Bond_Acceptor_Count	3
439210	Isotope_Atom_Count	0
135408752	Mono_Isotopic_Weight	440.07905542
79484	Structure_Complexity	171
45358014	Total_Formal_Charge	0
129747104	Hydrogen_Bond_Donor_Count	0
14123398	Exact_Mass	320.23514488
466	Exact_Mass	260.02971899
43102	Undefined_Atom_Stereo_Count	0
14373	Total_Formal_Charge	0
11091073	TPSA	60.7
18954572	Molecular_Weight	98.10
70686982	Molecular_Weight	514.0
136504	Defined_Bond_Stereo_Count	0
16741878	Isotope_Atom_Count	0
65280	Molecular_Weight	295.32
5363167	Covalent_Unit_Count	1
43179	TPSA	20.2
162990685	Defined_Atom_Stereo_Count	14
793266	Total_Formal_Charge	0
905	Undefined_Bond_Stereo_Count	0
87825887	Hydrogen_Bond_Donor_Count	0
129009953	Hydrogen_Bond_Acceptor_Count	7
11937	Defined_Bond_Stereo_Count	0
44630475	Mono_Isotopic_Weight	399.06814
57467550	Covalent_Unit_Count	1
88402732	Undefined_Bond_Stereo_Count	0
5283731	Total_Formal_Charge	0
6917662	Rotatable_Bond_Count	3
135491830	Isotope_Atom_Count	0
52943923	Covalent_Unit_Count	1
123861	Defined_Bond_Stereo_Count	0
67497	Exact_Mass	184.03467143
12681848	Mono_Isotopic_Weight	296.17360725
18357	Tautomer_Count	8
5311027	Mono_Isotopic_Weight	415.27225866
448265	Rotatable_Bond_Count	0
2734161	Hydrogen_Bond_Acceptor_Count	1
9090	Undefined_Atom_Stereo_Count	0
13337173	Exact_Mass	112.088815002
3282	Undefined_Atom_Stereo_Count	0
71455276	Hydrogen_Bond_Donor_Count	1
10703	Total_Formal_Charge	0
56643420	Hydrogen_Bond_Acceptor_Count	4
99828	Non-hydrogen_Atom_Count	15
4886	Undefined_Bond_Stereo_Count	0
13355	Rotatable_Bond_Count	1
7904	Covalent_Unit_Count	1
134925337	Total_Formal_Charge	0
122316	Defined_Bond_Stereo_Count	0
15689273	Undefined_Bond_Stereo_Count	0
16796	Covalent_Unit_Count	1
1310	Defined_Bond_Stereo_Count	0
67277	Undefined_Atom_Stereo_Count	0
543562	Defined_Bond_Stereo_Count	0
55910	Non-hydrogen_Atom_Count	18
10691662	Molecular_Weight	388.4
498158	Covalent_Unit_Count	1
296464	Defined_Bond_Stereo_Count	0
77679	Exact_Mass	841.477361
154404053	Defined_Atom_Stereo_Count	0
6252910	Hydrogen_Bond_Acceptor_Count	8
70686982	Rotatable_Bond_Count	6
518900	Undefined_Atom_Stereo_Count	0
15748	XLogP3-AA	2.5
12754	TPSA	0
21537113	Isotope_Atom_Count	0
83079	Covalent_Unit_Count	1
2422	Covalent_Unit_Count	1
285129	Defined_Bond_Stereo_Count	0
78174	Isotope_Atom_Count	0
16958	Defined_Bond_Stereo_Count	0
13083754	Molecular_Weight	112.17
1189	Rotatable_Bond_Count	2
87216	Hydrogen_Bond_Acceptor_Count	8
6173	Rotatable_Bond_Count	2
71608540	Defined_Atom_Stereo_Count	2
11321106	Total_Formal_Charge	0
11408688	Defined_Bond_Stereo_Count	0
11681509	TPSA	83.8
53316394	Non-hydrogen_Atom_Count	22
20928	Undefined_Bond_Stereo_Count	0
69337	Tautomer_Count	5
84647682	Undefined_Atom_Stereo_Count	3
75779	Undefined_Bond_Stereo_Count	0
2797779	XLogP3-AA	0.3
16685	Hydrogen_Bond_Acceptor_Count	1
6414	Exact_Mass	294.74279
57035514	Rotatable_Bond_Count	1
11212948	Exact_Mass	444.06121838
48491	Rotatable_Bond_Count	10
129785733	Structure_Complexity	96.3
70687387	Isotope_Atom_Count	0
23436	Exact_Mass	204.0341926
95434	Defined_Atom_Stereo_Count	0
20498	Non-hydrogen_Atom_Count	10
19031167	Defined_Bond_Stereo_Count	0
25127	Exact_Mass	193.110278721
68503	Mono_Isotopic_Weight	183.98876
12953697	Covalent_Unit_Count	1
90431674	Hydrogen_Bond_Donor_Count	1
122903	Isotope_Atom_Count	0
19089767	Undefined_Bond_Stereo_Count	0
38911	Molecular_Weight	268.35
84351	Molecular_Weight	82.10
11111	Mono_Isotopic_Weight	307.06267708
156412638	Molecular_Weight	110.12
5928432	Molecular_Weight	372.5
19540	Tautomer_Count	1
6918078	Hydrogen_Bond_Donor_Count	4
9918581	Hydrogen_Bond_Donor_Count	4
15406	Undefined_Bond_Stereo_Count	0
5362456	Mono_Isotopic_Weight	271.157228913
520296	Undefined_Atom_Stereo_Count	1
16064	Non-hydrogen_Atom_Count	17
52942447	XLogP3-AA	4.4
118437609	Mono_Isotopic_Weight	115.063328530
3415	Undefined_Bond_Stereo_Count	0
11152667	Molecular_Weight	362.4
69270	Non-hydrogen_Atom_Count	10
4977	Hydrogen_Bond_Donor_Count	1
69677	Rotatable_Bond_Count	0
86764	Isotope_Atom_Count	0
54980	Structure_Complexity	323
2267	Defined_Atom_Stereo_Count	0
11789150	Hydrogen_Bond_Acceptor_Count	1
5351811	TPSA	65
131750205	Exact_Mass	1103.80140071
117291	TPSA	52.6
10395255	Defined_Bond_Stereo_Count	1
5281670	Structure_Complexity	488
9903853	Undefined_Atom_Stereo_Count	0
13245702	Rotatable_Bond_Count	0
14677	Molecular_Weight	296.4
146671703	TPSA	240
6923346	Undefined_Bond_Stereo_Count	0
42599603	Non-hydrogen_Atom_Count	29
14839575	Non-hydrogen_Atom_Count	17
6240	Covalent_Unit_Count	2
2485	Undefined_Bond_Stereo_Count	0
5284349	Rotatable_Bond_Count	7
81263	Covalent_Unit_Count	1
66579015	Total_Formal_Charge	0
5746387	XLogP3	0.9
122403016	Mono_Isotopic_Weight	6507.0413833
18644925	Total_Formal_Charge	0
60155182	Hydrogen_Bond_Donor_Count	0
6249	Covalent_Unit_Count	1
98097	Hydrogen_Bond_Donor_Count	0
6135	Undefined_Atom_Stereo_Count	1
65800	Defined_Bond_Stereo_Count	0
8907	Exact_Mass	298.287180451
9246	Structure_Complexity	70.2
4812	Undefined_Bond_Stereo_Count	1
5702220	Total_Formal_Charge	0
62354	Non-hydrogen_Atom_Count	44
6603759	Undefined_Bond_Stereo_Count	0
9574343	Defined_Bond_Stereo_Count	1
409471	Isotope_Atom_Count	0
53424410	Rotatable_Bond_Count	1
68928	Undefined_Atom_Stereo_Count	1
88169351	Covalent_Unit_Count	1
71454296	Non-hydrogen_Atom_Count	34
84927	Tautomer_Count	1
92443	TPSA	75.6
573592	Non-hydrogen_Atom_Count	8
45029742	Tautomer_Count	693
15293	Exact_Mass	158.130679813
8917	Hydrogen_Bond_Acceptor_Count	1
39056	Mono_Isotopic_Weight	295.157228913
45052197	Hydrogen_Bond_Acceptor_Count	0
9915	Molecular_Weight	294.4
669570	XLogP3-AA	3.7
22465468	Hydrogen_Bond_Donor_Count	1
153996	Non-hydrogen_Atom_Count	44
522251	Isotope_Atom_Count	0
13653	Defined_Bond_Stereo_Count	0
71777654	Structure_Complexity	151
18506437	Undefined_Bond_Stereo_Count	0
6473741	Total_Formal_Charge	0
101872950	Hydrogen_Bond_Acceptor_Count	2
134551	Hydrogen_Bond_Acceptor_Count	6
12705073	Undefined_Bond_Stereo_Count	0
3073200	Defined_Atom_Stereo_Count	0
55285488	Non-hydrogen_Atom_Count	7
44564218	Hydrogen_Bond_Donor_Count	2
13473	Hydrogen_Bond_Acceptor_Count	2
347	Mono_Isotopic_Weight	286.10525291
699165	Undefined_Atom_Stereo_Count	0
5462309	Defined_Atom_Stereo_Count	0
71460733	TPSA	103
24848201	Defined_Bond_Stereo_Count	0
49836020	Exact_Mass	806.42908786
2800647	Defined_Atom_Stereo_Count	0
949296	Molecular_Weight	344.5
24825250	Rotatable_Bond_Count	6
3777650	Isotope_Atom_Count	0
12365604	Tautomer_Count	2
526950	Defined_Atom_Stereo_Count	0
48419	Non-hydrogen_Atom_Count	24
59791	Undefined_Bond_Stereo_Count	0
23684896	Hydrogen_Bond_Donor_Count	1
441307	Exact_Mass	372.1815851
52949466	Defined_Bond_Stereo_Count	0
380611	Defined_Atom_Stereo_Count	0
75372	TPSA	9.2
16750094	Mono_Isotopic_Weight	372.15862589
4008	TPSA	117
41092	Defined_Atom_Stereo_Count	0
14146878	Mono_Isotopic_Weight	113.084063974
251070	Molecular_Weight	188.22
71459117	Defined_Atom_Stereo_Count	0
994871	Non-hydrogen_Atom_Count	37
137553932	Mono_Isotopic_Weight	354.15646954
133640194	Non-hydrogen_Atom_Count	17
85531465	Undefined_Bond_Stereo_Count	0
21595404	Hydrogen_Bond_Acceptor_Count	3
70697507	Isotope_Atom_Count	0
92879	Rotatable_Bond_Count	6
4560140	Rotatable_Bond_Count	2
10059810	Rotatable_Bond_Count	2
40100	Total_Formal_Charge	0
2735309	Mono_Isotopic_Weight	115.063328530
17318	Exact_Mass	248.10800027
13601	Rotatable_Bond_Count	0
54192233	Total_Formal_Charge	0
3375	Isotope_Atom_Count	0
20187	Rotatable_Bond_Count	6
118578546	Defined_Atom_Stereo_Count	0
92020576	Exact_Mass	146.05790880
25007064	Defined_Bond_Stereo_Count	0
4930	Hydrogen_Bond_Donor_Count	2
101630689	Total_Formal_Charge	0
11681509	Covalent_Unit_Count	1
129679777	Non-hydrogen_Atom_Count	3
968609	Hydrogen_Bond_Donor_Count	0
22344257	XLogP3-AA	0.4
39503	TPSA	42
68171	Molecular_Weight	382.7
130429734	Covalent_Unit_Count	1
158340	Tautomer_Count	1
95400	Molecular_Weight	186.29
60196293	Exact_Mass	372.1404692
65546	Mono_Isotopic_Weight	151.099714038
9953590	TPSA	82.2
91971361	Hydrogen_Bond_Donor_Count	1
527633	Isotope_Atom_Count	0
68993193	Exact_Mass	228.089877630
24871744	Hydrogen_Bond_Donor_Count	1
670359	Isotope_Atom_Count	0
216265	Rotatable_Bond_Count	10
85779440	XLogP3-AA	0.1
46174070	Exact_Mass	1352.5732147
16070111	Covalent_Unit_Count	1
6433288	TPSA	57.9
385	Undefined_Bond_Stereo_Count	0
2787	Covalent_Unit_Count	1
5359541	Covalent_Unit_Count	1
130285	Total_Formal_Charge	0
439202	Hydrogen_Bond_Donor_Count	4
637511	Structure_Complexity	121
72257	Covalent_Unit_Count	1
14069104	Undefined_Atom_Stereo_Count	2
11549937	Rotatable_Bond_Count	9
118984456	Defined_Bond_Stereo_Count	0
54561872	Defined_Atom_Stereo_Count	0
7241	Defined_Atom_Stereo_Count	0
12200971	XLogP3-AA	0.3
44480399	Defined_Atom_Stereo_Count	0
138402870	Non-hydrogen_Atom_Count	77
96405	Molecular_Weight	147.15
125889	Exact_Mass	159.125928785
109016492	Isotope_Atom_Count	0
11061169	Exact_Mass	621.2273454
11652865	Rotatable_Bond_Count	2
23661960	Structure_Complexity	108
91618345	Undefined_Bond_Stereo_Count	0
12905096	Rotatable_Bond_Count	1
9570639	Molecular_Weight	388.6
92043424	Undefined_Atom_Stereo_Count	21
13696436	Isotope_Atom_Count	0
91683	Non-hydrogen_Atom_Count	22
20230230	Non-hydrogen_Atom_Count	8
87248	Defined_Bond_Stereo_Count	0
13844108	TPSA	17.1
86747	Exact_Mass	412.370516150
1605	Isotope_Atom_Count	0
5284607	Rotatable_Bond_Count	14
10333656	Total_Formal_Charge	0
129670580	Defined_Atom_Stereo_Count	0
9201	Hydrogen_Bond_Acceptor_Count	0
12353957	Undefined_Atom_Stereo_Count	2
6992041	Exact_Mass	278.96977556
5464186	Defined_Bond_Stereo_Count	0
45857	Defined_Atom_Stereo_Count	0
17132	Isotope_Atom_Count	0
521207	Isotope_Atom_Count	0
55479	Non-hydrogen_Atom_Count	15
34458	Defined_Bond_Stereo_Count	0
15752274	Total_Formal_Charge	0
155817681	Mono_Isotopic_Weight	88.039853434
85933717	Hydrogen_Bond_Donor_Count	2
534324	Exact_Mass	110.073164938
174174	Molecular_Weight	289.4
123271707	Covalent_Unit_Count	1
68304261	Mono_Isotopic_Weight	482.0597731
148676572	Non-hydrogen_Atom_Count	8
44338785	Non-hydrogen_Atom_Count	36
56679001	Hydrogen_Bond_Donor_Count	2
6842999	Hydrogen_Bond_Donor_Count	0
20435525	Total_Formal_Charge	1
157955	Defined_Bond_Stereo_Count	0
9849490	Isotope_Atom_Count	0
78012803	Covalent_Unit_Count	1
116841780	Mono_Isotopic_Weight	109.089149355
75412563	Non-hydrogen_Atom_Count	11
192711	Defined_Atom_Stereo_Count	0
519946	Undefined_Atom_Stereo_Count	0
87321867	Rotatable_Bond_Count	1
18414702	Total_Formal_Charge	0
25042	Covalent_Unit_Count	1
117926	Tautomer_Count	1
56945145	Undefined_Atom_Stereo_Count	1
22086042	Isotope_Atom_Count	0
7156	Hydrogen_Bond_Acceptor_Count	2
67811115	Hydrogen_Bond_Acceptor_Count	2
8058	Undefined_Bond_Stereo_Count	0
117266253	Total_Formal_Charge	0
56658438	Covalent_Unit_Count	1
85979179	Exact_Mass	83.037113783
129885959	Hydrogen_Bond_Donor_Count	6
562767	Undefined_Atom_Stereo_Count	1
49863385	Non-hydrogen_Atom_Count	47
3228	Hydrogen_Bond_Acceptor_Count	6
10568	Non-hydrogen_Atom_Count	6
17787271	Undefined_Bond_Stereo_Count	0
74370	Structure_Complexity	1030
638116	Hydrogen_Bond_Acceptor_Count	1
68162	Tautomer_Count	1
65894	Rotatable_Bond_Count	3
11339	Undefined_Bond_Stereo_Count	0
147097491	Hydrogen_Bond_Donor_Count	0
24763199	Mono_Isotopic_Weight	379.0854322
10438	Hydrogen_Bond_Donor_Count	0
15657909	Undefined_Bond_Stereo_Count	0
2971	TPSA	52.6
2609	Total_Formal_Charge	0
14083582	Exact_Mass	114.068079557
4313918	Isotope_Atom_Count	0
96807	Defined_Atom_Stereo_Count	1
20134602	Covalent_Unit_Count	1
12798	Covalent_Unit_Count	1
140118553	Undefined_Atom_Stereo_Count	0
12332146	Undefined_Bond_Stereo_Count	0
977	TPSA	34.1
516	Structure_Complexity	388
54078821	Molecular_Weight	212.24
155354	Isotope_Atom_Count	0
198236	Undefined_Atom_Stereo_Count	0
57938	Total_Formal_Charge	0
275784	Rotatable_Bond_Count	6
8078	Defined_Atom_Stereo_Count	0
66384	Hydrogen_Bond_Donor_Count	0
6766	Defined_Bond_Stereo_Count	0
42985	Hydrogen_Bond_Acceptor_Count	6
134826704	Defined_Bond_Stereo_Count	0
15078	Hydrogen_Bond_Donor_Count	3
23090608	Defined_Atom_Stereo_Count	0
8262	Undefined_Bond_Stereo_Count	0
65612	Mono_Isotopic_Weight	354.17658463
20276	Structure_Complexity	71.4
150868	Isotope_Atom_Count	0
92974077	Hydrogen_Bond_Acceptor_Count	3
11727234	XLogP3-AA	3
12262514	Exact_Mass	251.188529040
81770	Molecular_Weight	102.18
172309	XLogP3-AA	3
443154	Structure_Complexity	1190
46224572	Structure_Complexity	482
3034658	Rotatable_Bond_Count	1
131204	Total_Formal_Charge	0
62165	Mono_Isotopic_Weight	324.302830514
135398655	TPSA	307
3529	Isotope_Atom_Count	0
39765	Tautomer_Count	1
512289	Hydrogen_Bond_Donor_Count	1
25137869	Non-hydrogen_Atom_Count	41
450503	Rotatable_Bond_Count	1
132980806	Non-hydrogen_Atom_Count	93
104799	Exact_Mass	315.0750854
89318	Undefined_Bond_Stereo_Count	0
31515	TPSA	92.9
5375048	Rotatable_Bond_Count	2
6604902	Defined_Bond_Stereo_Count	0
99027	Covalent_Unit_Count	1
71541098	Hydrogen_Bond_Donor_Count	0
139449	Hydrogen_Bond_Donor_Count	0
8356	Mono_Isotopic_Weight	302.98712935
13166770	Undefined_Bond_Stereo_Count	0
13715986	Molecular_Weight	118.13
56704	Covalent_Unit_Count	2
23082568	Molecular_Weight	259.17
45495	Non-hydrogen_Atom_Count	28
564206	Exact_Mass	92.037448136
11283	Rotatable_Bond_Count	8
164164617	Hydrogen_Bond_Donor_Count	3
120231	Structure_Complexity	213
968498	TPSA	77.5
26964	Defined_Bond_Stereo_Count	0
36054	Non-hydrogen_Atom_Count	13
62277	TPSA	154
121231162	TPSA	146
3916	Isotope_Atom_Count	0
14200416	Mono_Isotopic_Weight	114.104465066
65019	Exact_Mass	126.115698455
938021	Defined_Atom_Stereo_Count	1
83644	Isotope_Atom_Count	0
49248	Defined_Bond_Stereo_Count	0
96381	Total_Formal_Charge	0
8033	Rotatable_Bond_Count	3
714458	Structure_Complexity	537
119196	Undefined_Bond_Stereo_Count	0
9805430	Defined_Atom_Stereo_Count	4
3003141	Isotope_Atom_Count	0
11972	TPSA	49.3
16733482	Hydrogen_Bond_Donor_Count	4
10675	Hydrogen_Bond_Donor_Count	1
11955716	Defined_Atom_Stereo_Count	0
441921	Hydrogen_Bond_Acceptor_Count	18
9831415	Structure_Complexity	425
123673485	TPSA	23.8
57396607	Molecular_Weight	465.5
5284513	Mono_Isotopic_Weight	326.18819469
7989	Isotope_Atom_Count	0
53249535	Exact_Mass	364.16343649
71584930	Undefined_Atom_Stereo_Count	0
2168	Rotatable_Bond_Count	6
24490	Hydrogen_Bond_Acceptor_Count	6
93205	Molecular_Weight	385.4
83970	Undefined_Atom_Stereo_Count	0
3081938	Non-hydrogen_Atom_Count	16
11977753	Molecular_Weight	469.5
343	Total_Formal_Charge	0
115236	Undefined_Atom_Stereo_Count	0
124744577	Covalent_Unit_Count	1
242722	Non-hydrogen_Atom_Count	8
40666	Hydrogen_Bond_Donor_Count	1
123865	TPSA	248
59508	Exact_Mass	390.34843804
21770	TPSA	17.8
53785673	Defined_Atom_Stereo_Count	0
19816937	Hydrogen_Bond_Donor_Count	2
45076013	Mono_Isotopic_Weight	116.04081944
85585524	Exact_Mass	111.068413911
278600	Non-hydrogen_Atom_Count	7
164513337	Hydrogen_Bond_Acceptor_Count	6
51003564	Molecular_Weight	256.30
59473233	Exact_Mass	411.18075832
121596705	TPSA	92.8
444795	Total_Formal_Charge	0
11523	Isotope_Atom_Count	0
118669896	Mono_Isotopic_Weight	112.088815002
34328	TPSA	64.3
380929	Total_Formal_Charge	0
61892972	Exact_Mass	99.104799419
424893	TPSA	128
156252	Undefined_Atom_Stereo_Count	0
254320	Rotatable_Bond_Count	3
78347	Mono_Isotopic_Weight	448.09787611
131704	Mono_Isotopic_Weight	414.13146766
440141	Tautomer_Count	3
15951416	Defined_Bond_Stereo_Count	0
447202	Defined_Atom_Stereo_Count	7
945090	Defined_Atom_Stereo_Count	0
53774272	Defined_Bond_Stereo_Count	0
460603	Mono_Isotopic_Weight	496.34031496
3308	Defined_Bond_Stereo_Count	0
549168	Structure_Complexity	146
129675901	Structure_Complexity	226
55285315	Exact_Mass	125.07014524
67513158	Undefined_Atom_Stereo_Count	0
16132767	Molecular_Weight	1132.1
9275	Structure_Complexity	260
10693	Hydrogen_Bond_Donor_Count	1
4528	XLogP3-AA	2.6
13647	Undefined_Atom_Stereo_Count	0
442021	Non-hydrogen_Atom_Count	29
33919	Isotope_Atom_Count	0
30951	Undefined_Bond_Stereo_Count	0
30699	Mono_Isotopic_Weight	423.05587762
142101289	Hydrogen_Bond_Acceptor_Count	3
56949966	Total_Formal_Charge	0
32243	TPSA	166
6436219	Hydrogen_Bond_Acceptor_Count	6
94357	Isotope_Atom_Count	0
93019	Hydrogen_Bond_Donor_Count	0
20483595	Mono_Isotopic_Weight	106.053098200
17877642	Total_Formal_Charge	0
7917	Rotatable_Bond_Count	2
67005	TPSA	91.6
636	Hydrogen_Bond_Donor_Count	3
42613186	Isotope_Atom_Count	0
101304	Non-hydrogen_Atom_Count	18
61341	Total_Formal_Charge	0
15415	Undefined_Atom_Stereo_Count	1
94865124	Covalent_Unit_Count	1
250096	Covalent_Unit_Count	1
67239	Structure_Complexity	529
3374	Molecular_Weight	261.25
946372	Undefined_Atom_Stereo_Count	0
5280754	Mono_Isotopic_Weight	1201.84136802
119716	Rotatable_Bond_Count	6
16211941	Non-hydrogen_Atom_Count	12
11346	Hydrogen_Bond_Acceptor_Count	3
47167	Covalent_Unit_Count	1
54686350	Isotope_Atom_Count	0
12749319	Isotope_Atom_Count	0
7917	Isotope_Atom_Count	0
76263	Rotatable_Bond_Count	4
40478	Hydrogen_Bond_Donor_Count	0
2665	Molecular_Weight	466.6
5288588	Molecular_Weight	298.8
81255	Defined_Bond_Stereo_Count	0
3081383	Defined_Atom_Stereo_Count	5
5283335	Defined_Atom_Stereo_Count	0
136041721	Hydrogen_Bond_Donor_Count	4
69663	Total_Formal_Charge	0
62080	Mono_Isotopic_Weight	292.18858861
601293	XLogP3	2.9
369219	TPSA	20.3
18338555	Rotatable_Bond_Count	1
89926	Defined_Atom_Stereo_Count	0
71771	Non-hydrogen_Atom_Count	23
22221737	Undefined_Atom_Stereo_Count	0
4912932	XLogP3-AA	0.2
81313	Exact_Mass	148.109944368
15032799	TPSA	9.2
2775510	Isotope_Atom_Count	0
20739	Non-hydrogen_Atom_Count	10
6918248	Tautomer_Count	2
71433133	Undefined_Atom_Stereo_Count	1
90486	Non-hydrogen_Atom_Count	16
2887	Undefined_Bond_Stereo_Count	1
557171	Total_Formal_Charge	0
146684433	Total_Formal_Charge	0
123831	Defined_Bond_Stereo_Count	0
109016492	Hydrogen_Bond_Donor_Count	2
54186	Hydrogen_Bond_Acceptor_Count	4
3009	Defined_Atom_Stereo_Count	0
4298216	Non-hydrogen_Atom_Count	6
8689	Hydrogen_Bond_Acceptor_Count	3
12285886	Rotatable_Bond_Count	1
9984	Isotope_Atom_Count	0
45120378	XLogP3-AA	1.1
21951770	Exact_Mass	111.05449518
72871	Structure_Complexity	192
66261	Hydrogen_Bond_Donor_Count	0
71719928	TPSA	260
1815	Covalent_Unit_Count	1
4507	Tautomer_Count	5
23642301	TPSA	44.7
564996	Hydrogen_Bond_Donor_Count	0
5324278	Molecular_Weight	87.12
3694035	Exact_Mass	107.048347172
56675699	XLogP3-AA	3.7
98306	Undefined_Atom_Stereo_Count	0
5284506	Hydrogen_Bond_Donor_Count	0
6918284	Structure_Complexity	2080
454647	Molecular_Weight	435.5
610479	Non-hydrogen_Atom_Count	18
23677829	Isotope_Atom_Count	0
12456033	Hydrogen_Bond_Donor_Count	0
5363355	Mono_Isotopic_Weight	333.0548008
439215	Exact_Mass	194.04265265
243575	Exact_Mass	119.058243149
11662332	Rotatable_Bond_Count	8
135410344	Hydrogen_Bond_Acceptor_Count	6
208902	Undefined_Atom_Stereo_Count	0
4807	Total_Formal_Charge	0
564184	TPSA	47.6
5200289	TPSA	54.7
90225710	Hydrogen_Bond_Donor_Count	0
954767	Rotatable_Bond_Count	4
95391	TPSA	26.3
23663939	Exact_Mass	634.21385422
69845357	Undefined_Atom_Stereo_Count	1
19390240	Rotatable_Bond_Count	3
73465	Covalent_Unit_Count	1
17904790	Non-hydrogen_Atom_Count	7
12576851	Covalent_Unit_Count	1
22463764	Rotatable_Bond_Count	1
67462786	Undefined_Atom_Stereo_Count	0
54393307	Hydrogen_Bond_Donor_Count	0
9823887	Molecular_Weight	428.4
57190391	Isotope_Atom_Count	7
3068840	Molecular_Weight	387.9
5923	TPSA	86.7
4274	XLogP3-AA	0.5
14281432	Non-hydrogen_Atom_Count	7
5283736	Hydrogen_Bond_Donor_Count	3
16224	XLogP3	4.2
2842	Undefined_Atom_Stereo_Count	5
14454	Hydrogen_Bond_Acceptor_Count	1
453251	Defined_Atom_Stereo_Count	0
19155	Mono_Isotopic_Weight	82.9983460
808	TPSA	389
92703	Isotope_Atom_Count	0
24901144	Structure_Complexity	644
17166	Undefined_Atom_Stereo_Count	0
11705608	Defined_Atom_Stereo_Count	0
54477	Defined_Atom_Stereo_Count	1
13430321	Structure_Complexity	76.8
24906321	Defined_Atom_Stereo_Count	0
95659	Covalent_Unit_Count	1
3638	Defined_Bond_Stereo_Count	0
20129993	Exact_Mass	103.099714038
83535	Hydrogen_Bond_Acceptor_Count	7
6445091	Undefined_Atom_Stereo_Count	0
123462301	Mono_Isotopic_Weight	86.084398327
17595	Exact_Mass	113.084063974
2226	Covalent_Unit_Count	1
61539	Covalent_Unit_Count	1
115034	TPSA	62.2
46228852	Hydrogen_Bond_Acceptor_Count	7
7093102	Structure_Complexity	145
11100989	Hydrogen_Bond_Donor_Count	0
15629522	Hydrogen_Bond_Acceptor_Count	2
123336	Undefined_Bond_Stereo_Count	0
6010	Hydrogen_Bond_Donor_Count	1
11018809	Mono_Isotopic_Weight	95.037113783
101534	Hydrogen_Bond_Donor_Count	2
3033769	Non-hydrogen_Atom_Count	22
163652705	Hydrogen_Bond_Donor_Count	1
79297905	Undefined_Bond_Stereo_Count	0
20393	Defined_Atom_Stereo_Count	0
7608	Hydrogen_Bond_Donor_Count	1
135889896	Defined_Bond_Stereo_Count	5
44413	Undefined_Bond_Stereo_Count	0
66597	Undefined_Atom_Stereo_Count	0
11954319	Covalent_Unit_Count	2
4513	Defined_Atom_Stereo_Count	0
74663	Defined_Bond_Stereo_Count	0
447405	TPSA	125
153970	Defined_Atom_Stereo_Count	4
5284632	XLogP3-AA	4.4
96943	Rotatable_Bond_Count	0
57370084	Hydrogen_Bond_Donor_Count	8
11198626	TPSA	71
12412266	Hydrogen_Bond_Donor_Count	0
67979331	Defined_Atom_Stereo_Count	0
578771	Total_Formal_Charge	0
1051	Structure_Complexity	292
512289	Covalent_Unit_Count	1
19905962	Non-hydrogen_Atom_Count	8
54020544	Mono_Isotopic_Weight	99.032028402
49381	Undefined_Atom_Stereo_Count	0
51987	TPSA	29.1
74168	TPSA	38
12529661	Undefined_Atom_Stereo_Count	0
154132	Molecular_Weight	355.3
31013	Non-hydrogen_Atom_Count	16
129747104	XLogP3-AA	0.2
13616	Defined_Atom_Stereo_Count	0
67247796	Exact_Mass	360.12224039
96129	Undefined_Atom_Stereo_Count	0
9365	Total_Formal_Charge	0
85999939	Undefined_Bond_Stereo_Count	0
19016	Tautomer_Count	1
100681	Exact_Mass	356.10083623
135398604	Hydrogen_Bond_Acceptor_Count	10
1698	Isotope_Atom_Count	0
165286	Defined_Atom_Stereo_Count	0
44755151	Undefined_Atom_Stereo_Count	0
54978	Non-hydrogen_Atom_Count	22
16021	TPSA	20.2
17038	Isotope_Atom_Count	0
398632	Rotatable_Bond_Count	2
4390	Tautomer_Count	1
6456015	TPSA	172
19933060	Structure_Complexity	60.5
7528	Hydrogen_Bond_Donor_Count	1
28284151	Covalent_Unit_Count	1
136642	Undefined_Atom_Stereo_Count	0
1426	Non-hydrogen_Atom_Count	22
70435	Structure_Complexity	8
73537	Defined_Atom_Stereo_Count	2
582251	Non-hydrogen_Atom_Count	6
5281706	Defined_Bond_Stereo_Count	0
145994627	XLogP3-AA	2.3
10329304	Hydrogen_Bond_Donor_Count	0
25127713	Rotatable_Bond_Count	6
54610537	Hydrogen_Bond_Acceptor_Count	4
54767229	Hydrogen_Bond_Acceptor_Count	5
25127	Total_Formal_Charge	0
543909	Defined_Atom_Stereo_Count	0
16412	Defined_Bond_Stereo_Count	0
83971	Hydrogen_Bond_Donor_Count	6
6526396	Isotope_Atom_Count	0
15301	Defined_Bond_Stereo_Count	0
5373773	Hydrogen_Bond_Donor_Count	0
51066536	Defined_Atom_Stereo_Count	2
36383	XLogP3-AA	0.4
122404566	Defined_Atom_Stereo_Count	14
9860424	Exact_Mass	277.10759338
94910	Exact_Mass	226.0760574
71312102	Tautomer_Count	6
1033	Non-hydrogen_Atom_Count	52
445936	Undefined_Bond_Stereo_Count	0
135887832	Hydrogen_Bond_Acceptor_Count	14
161105	Non-hydrogen_Atom_Count	1
69885	Non-hydrogen_Atom_Count	13
3078439	Molecular_Weight	1127.3
92979	Undefined_Atom_Stereo_Count	0
6918508	Mono_Isotopic_Weight	387.1374495
70068	Undefined_Atom_Stereo_Count	0
141407440	Non-hydrogen_Atom_Count	8
10628031	Defined_Atom_Stereo_Count	8
71374162	Undefined_Bond_Stereo_Count	1
148546155	TPSA	64.9
521486	Covalent_Unit_Count	1
125286695	Undefined_Bond_Stereo_Count	0
12559	Hydrogen_Bond_Donor_Count	6
44814423	TPSA	109
166548151	Mono_Isotopic_Weight	107.073499291
11423559	Rotatable_Bond_Count	2
16079005	Isotope_Atom_Count	0
6604902	Molecular_Weight	465.9
15881135	Covalent_Unit_Count	1
247673	Molecular_Weight	545.5
12705044	Molecular_Weight	104.15
688691	Undefined_Bond_Stereo_Count	0
93335	Rotatable_Bond_Count	5
53395198	Covalent_Unit_Count	2
1486	Non-hydrogen_Atom_Count	13
120737	Hydrogen_Bond_Donor_Count	1
19130	Undefined_Atom_Stereo_Count	0
638380	Defined_Atom_Stereo_Count	0
98265	Rotatable_Bond_Count	3
92363	Rotatable_Bond_Count	1
24458	Mono_Isotopic_Weight	125.872641
44413	TPSA	57.5
17963334	Molecular_Weight	526.5
60196406	Hydrogen_Bond_Donor_Count	3
2551	Covalent_Unit_Count	1
12091	Total_Formal_Charge	0
54757630	Rotatable_Bond_Count	8
14500805	Mono_Isotopic_Weight	314.199428076
21895922	Defined_Atom_Stereo_Count	0
10087661	XLogP3-AA	6.1
154536664	Exact_Mass	97.089149355
77077	Molecular_Weight	176.66
12375523	Molecular_Weight	100.16
54187438	TPSA	26
6917852	Rotatable_Bond_Count	6
18368760	Exact_Mass	116.083729621
31288	Exact_Mass	204.13615911
177084	Isotope_Atom_Count	0
14142596	Defined_Bond_Stereo_Count	0
3590	Hydrogen_Bond_Acceptor_Count	2
15673	Hydrogen_Bond_Donor_Count	0
55285230	Non-hydrogen_Atom_Count	8
3229	Mono_Isotopic_Weight	320.12846858
24866519	Hydrogen_Bond_Donor_Count	3
71584285	Exact_Mass	412.15691181
67602	Undefined_Bond_Stereo_Count	0
6439420	Total_Formal_Charge	0
61024	Rotatable_Bond_Count	9
139024568	Hydrogen_Bond_Donor_Count	7
12634652	Undefined_Bond_Stereo_Count	0
77408	Defined_Bond_Stereo_Count	0
98086793	Structure_Complexity	418
87410	Rotatable_Bond_Count	8
2796	Undefined_Atom_Stereo_Count	0
71191	Isotope_Atom_Count	0
131632500	Covalent_Unit_Count	1
57238241	Rotatable_Bond_Count	1
376375	Covalent_Unit_Count	1
68503813	Rotatable_Bond_Count	0
41574	TPSA	69.6
10558611	Total_Formal_Charge	0
11226684	Total_Formal_Charge	0
19499	Exact_Mass	86.036779430
78352	Total_Formal_Charge	0
529197	Covalent_Unit_Count	1
42609791	Molecular_Weight	741.4
17996772	Isotope_Atom_Count	0
56890	Molecular_Weight	271.4
13586830	Covalent_Unit_Count	1
19879775	XLogP3-AA	2.1
3363	Defined_Bond_Stereo_Count	0
18924614	Total_Formal_Charge	0
5488036	Covalent_Unit_Count	5
12894	Exact_Mass	267.06776246
88007	Undefined_Atom_Stereo_Count	0
534959	TPSA	20.2
754219	Mono_Isotopic_Weight	304.19509159
573470	Undefined_Atom_Stereo_Count	0
642156	Hydrogen_Bond_Acceptor_Count	1
193147	Isotope_Atom_Count	0
50891	Hydrogen_Bond_Acceptor_Count	0
61918	XLogP3-AA	0.6
15967	Molecular_Weight	277.4
22108	Isotope_Atom_Count	0
45356230	Mono_Isotopic_Weight	320.177630004
71389631	Molecular_Weight	108.14
1756	Mono_Isotopic_Weight	187.038176411
21879777	XLogP3-AA	1.1
99521	Hydrogen_Bond_Donor_Count	2
67611425	XLogP3-AA	1
638071	Isotope_Atom_Count	0
57016034	Covalent_Unit_Count	1
5319249	Molecular_Weight	342.30
5359541	Non-hydrogen_Atom_Count	7
136305611	Non-hydrogen_Atom_Count	8
5307	Hydrogen_Bond_Donor_Count	3
83884	Mono_Isotopic_Weight	311.12163125
80530	Undefined_Bond_Stereo_Count	0
49756	Tautomer_Count	1
6160	Mono_Isotopic_Weight	289.18419255
59910362	Defined_Atom_Stereo_Count	0
5311497	Defined_Bond_Stereo_Count	0
78913	Mono_Isotopic_Weight	110.073164938
25975	Rotatable_Bond_Count	0
129633772	Covalent_Unit_Count	1
73946427	Defined_Bond_Stereo_Count	2
54760	XLogP3-AA	2.3
20390093	Hydrogen_Bond_Donor_Count	0
7020237	Undefined_Atom_Stereo_Count	0
10333	Exact_Mass	124.052429494
67214459	Isotope_Atom_Count	0
692791	Defined_Atom_Stereo_Count	1
72941511	Non-hydrogen_Atom_Count	31
667448	Molecular_Weight	324.4
77191	Hydrogen_Bond_Donor_Count	0
11355455	Hydrogen_Bond_Donor_Count	0
88091	TPSA	20.2
104048363	Total_Formal_Charge	0
60814	Molecular_Weight	412.9
133268468	Undefined_Bond_Stereo_Count	0
119205	Molecular_Weight	358.4
121396	Exact_Mass	190.05897142
107217	Undefined_Bond_Stereo_Count	0
537142	Defined_Atom_Stereo_Count	0
53657	Undefined_Atom_Stereo_Count	0
5280581	Defined_Atom_Stereo_Count	0
6419	Covalent_Unit_Count	1
5125	Exact_Mass	314.09616600
162990683	Molecular_Weight	665.7
1470715	Defined_Bond_Stereo_Count	0
5379102	Total_Formal_Charge	0
57136075	Total_Formal_Charge	0
5284619	Rotatable_Bond_Count	11
59227	Non-hydrogen_Atom_Count	22
101254314	Undefined_Atom_Stereo_Count	0
2122	Hydrogen_Bond_Acceptor_Count	8
15110788	Mono_Isotopic_Weight	100.052429494
13791	Molecular_Weight	356.5
54429344	Structure_Complexity	135
15214552	Isotope_Atom_Count	0
53425533	Hydrogen_Bond_Acceptor_Count	3
9281	Hydrogen_Bond_Donor_Count	0
3295	Hydrogen_Bond_Acceptor_Count	6
22762494	Undefined_Atom_Stereo_Count	0
65327	Non-hydrogen_Atom_Count	21
44310838	Hydrogen_Bond_Acceptor_Count	7
73952881	Exact_Mass	658.40354761
146571	Isotope_Atom_Count	0
117791079	Exact_Mass	176.03208797
868	Mono_Isotopic_Weight	88.016043985
57768583	Hydrogen_Bond_Donor_Count	1
2933256	Defined_Bond_Stereo_Count	0
3783514	Hydrogen_Bond_Acceptor_Count	3
18471709	Undefined_Atom_Stereo_Count	1
137580	Rotatable_Bond_Count	1
14127	Isotope_Atom_Count	0
14765771	TPSA	49.8
1271	TPSA	101
78553	Exact_Mass	215.96083
129631271	Hydrogen_Bond_Donor_Count	2
11804701	Structure_Complexity	97
89116579	Non-hydrogen_Atom_Count	8
23056	Isotope_Atom_Count	0
151129985	Hydrogen_Bond_Acceptor_Count	3
21991095	Undefined_Bond_Stereo_Count	0
7608	Covalent_Unit_Count	1
32816	Isotope_Atom_Count	0
31767	Isotope_Atom_Count	0
92337	Molecular_Weight	244.26
26868	Structure_Complexity	331
30265	Total_Formal_Charge	0
23581946	Hydrogen_Bond_Acceptor_Count	6
123751374	Exact_Mass	1201.84136802
1293762	Undefined_Bond_Stereo_Count	0
102198498	Defined_Atom_Stereo_Count	0
11519069	Exact_Mass	507.17729
561193	XLogP3-AA	1.3
5315659	Non-hydrogen_Atom_Count	23
4627807	Defined_Atom_Stereo_Count	0
105426927	Total_Formal_Charge	0
330740	Hydrogen_Bond_Acceptor_Count	6
5587	Covalent_Unit_Count	1
12671579	Molecular_Weight	118.13
62165	Defined_Atom_Stereo_Count	0
58516110	Covalent_Unit_Count	1
24900813	Hydrogen_Bond_Donor_Count	5
19918	Undefined_Atom_Stereo_Count	0
146352	Undefined_Atom_Stereo_Count	0
44417326	Undefined_Atom_Stereo_Count	2
195432	Rotatable_Bond_Count	8
24958200	Undefined_Atom_Stereo_Count	0
6950	Undefined_Atom_Stereo_Count	1
3806	Structure_Complexity	280
10493732	Rotatable_Bond_Count	9
17259	Exact_Mass	156.115029749
415984	Defined_Bond_Stereo_Count	0
9926832	XLogP3-AA	2.9
56949517	Exact_Mass	433.16132606
69442897	Total_Formal_Charge	0
751826	Rotatable_Bond_Count	2
15186998	XLogP3-AA	0.3
108835	Rotatable_Bond_Count	3
133025	Undefined_Bond_Stereo_Count	0
10176082	TPSA	3
25006686	Defined_Atom_Stereo_Count	0
661093	Isotope_Atom_Count	0
90581	Non-hydrogen_Atom_Count	6
101921	Defined_Bond_Stereo_Count	0
68321730	Hydrogen_Bond_Acceptor_Count	4
327044	Defined_Bond_Stereo_Count	0
67615000	Total_Formal_Charge	0
520405	Structure_Complexity	51.9
136882	Hydrogen_Bond_Donor_Count	0
142290	Total_Formal_Charge	0
72424	Rotatable_Bond_Count	20
10176115	Defined_Bond_Stereo_Count	0
251070	Tautomer_Count	1
398679	Defined_Bond_Stereo_Count	0
4914117	Hydrogen_Bond_Acceptor_Count	6
527559	Undefined_Atom_Stereo_Count	0
3564	Molecular_Weight	214.26
11717001	Hydrogen_Bond_Acceptor_Count	5
8176	Isotope_Atom_Count	0
17912027	Non-hydrogen_Atom_Count	7
7848	Undefined_Bond_Stereo_Count	0
146465392	Defined_Atom_Stereo_Count	0
196445	Tautomer_Count	4
220820	Isotope_Atom_Count	0
94190	Undefined_Atom_Stereo_Count	0
98181812	Structure_Complexity	415
3354132	Covalent_Unit_Count	1
71453559	Mono_Isotopic_Weight	379.20082506
126968498	Defined_Bond_Stereo_Count	0
67763	Isotope_Atom_Count	0
95292	Defined_Atom_Stereo_Count	0
11194304	Structure_Complexity	72.9
9665	Covalent_Unit_Count	1
2789	Undefined_Atom_Stereo_Count	0
59496876	Rotatable_Bond_Count	1
12275055	Rotatable_Bond_Count	0
57331769	Covalent_Unit_Count	1
590	Undefined_Atom_Stereo_Count	0
3383476	Hydrogen_Bond_Acceptor_Count	12
5289247	Undefined_Bond_Stereo_Count	0
68700720	Structure_Complexity	66.7
23665765	Defined_Bond_Stereo_Count	0
98341	Tautomer_Count	4
18730044	Hydrogen_Bond_Donor_Count	0
21870	Undefined_Bond_Stereo_Count	1
2460	Mono_Isotopic_Weight	469.13624974
66837179	Total_Formal_Charge	0
23675081	Tautomer_Count	11
44578617	Undefined_Atom_Stereo_Count	0
71242808	TPSA	52.6
53846435	Hydrogen_Bond_Donor_Count	3
24478	Isotope_Atom_Count	0
5839	TPSA	91.7
12302648	Hydrogen_Bond_Donor_Count	8
8025	Covalent_Unit_Count	1
5353431	Non-hydrogen_Atom_Count	14
48103	Undefined_Bond_Stereo_Count	0
6452753	Defined_Bond_Stereo_Count	0
36565	Defined_Atom_Stereo_Count	0
14679813	Rotatable_Bond_Count	7
61968	Isotope_Atom_Count	0
30858	Structure_Complexity	113
44237	Defined_Bond_Stereo_Count	0
53420035	TPSA	58.2
224244	Hydrogen_Bond_Donor_Count	0
12276	Non-hydrogen_Atom_Count	10
23663979	Exact_Mass	371.09157152
585785	Defined_Atom_Stereo_Count	0
3870203	Covalent_Unit_Count	1
6919144	TPSA	40.2
12481	Hydrogen_Bond_Donor_Count	1
136102	Tautomer_Count	1
594	Covalent_Unit_Count	1
11105655	Exact_Mass	159.9749636
12609619	Undefined_Bond_Stereo_Count	0
21868524	Structure_Complexity	918
4708	Structure_Complexity	433
2569	Molecular_Weight	321.33
5332	Structure_Complexity	376
97627066	Covalent_Unit_Count	1
24199313	Mono_Isotopic_Weight	678.132686
12962854	Rotatable_Bond_Count	4
16738693	Total_Formal_Charge	0
66827	Molecular_Weight	121.93
22157549	Mono_Isotopic_Weight	389.0711249
49971	XLogP3	1.7
48613	Mono_Isotopic_Weight	394.28315770
7432	Undefined_Atom_Stereo_Count	0
83086	Mono_Isotopic_Weight	75.032028402
5259916	Structure_Complexity	134
8266	Molecular_Weight	388.8
60196316	Mono_Isotopic_Weight	386.2124913
52940883	Exact_Mass	355.11323305
131704314	Defined_Atom_Stereo_Count	1
54608508	Covalent_Unit_Count	1
13380150	Covalent_Unit_Count	1
91471800	TPSA	56.2
13245088	Mono_Isotopic_Weight	114.068079557
5702160	Structure_Complexity	469
68153	Defined_Atom_Stereo_Count	0
78225435	Hydrogen_Bond_Donor_Count	3
524670	TPSA	0
5053558	XLogP3-AA	0.1
234735	Total_Formal_Charge	0
65513	Rotatable_Bond_Count	2
12921732	Mono_Isotopic_Weight	82.041864811
2265	Total_Formal_Charge	0
24946105	Covalent_Unit_Count	1
21330	Defined_Atom_Stereo_Count	0
449435	XLogP3-AA	1.5
14677	Structure_Complexity	339
9846078	Exact_Mass	440.17360725
49865920	Covalent_Unit_Count	1
2777312	Undefined_Atom_Stereo_Count	1
57284788	Undefined_Atom_Stereo_Count	1
44560574	Mono_Isotopic_Weight	422.10824754
17779919	Defined_Bond_Stereo_Count	0
26447	TPSA	17.1
6027	Defined_Bond_Stereo_Count	0
12817963	Total_Formal_Charge	0
79004	Structure_Complexity	23.6
8703	Mono_Isotopic_Weight	151.099714038
25791439	Hydrogen_Bond_Donor_Count	5
659009	Defined_Bond_Stereo_Count	0
5284347	Hydrogen_Bond_Donor_Count	2
240	Undefined_Bond_Stereo_Count	0
159603835	TPSA	40.9
875202	Covalent_Unit_Count	1
5289295	Total_Formal_Charge	0
5462077	Non-hydrogen_Atom_Count	19
95609	Undefined_Bond_Stereo_Count	0
23554324	Total_Formal_Charge	0
1247	Hydrogen_Bond_Donor_Count	1
91557	Undefined_Atom_Stereo_Count	0
34769	XLogP3-AA	0.5
141103237	Exact_Mass	116.083729621
102483	Tautomer_Count	1
36400	Defined_Bond_Stereo_Count	0
130804	Rotatable_Bond_Count	8
11969781	Molecular_Weight	643.6
53870064	Mono_Isotopic_Weight	115.063328530
1201	Defined_Atom_Stereo_Count	0
492767	Exact_Mass	333.1066465
72207351	Defined_Atom_Stereo_Count	0
91326539	Undefined_Atom_Stereo_Count	0
37839	Isotope_Atom_Count	0
1854	Isotope_Atom_Count	0
118984450	Molecular_Weight	5808
154489025	XLogP3-AA	0.2
124298532	Structure_Complexity	382
11769408	Exact_Mass	195.125928785
91429	Rotatable_Bond_Count	4
10209	Exact_Mass	174.068079557
3019	XLogP3	1.2
14051	Hydrogen_Bond_Donor_Count	6
36688241	Covalent_Unit_Count	1
121207425	Defined_Atom_Stereo_Count	0
82419	Rotatable_Bond_Count	1
5284442	XLogP3-AA	4
11254352	Hydrogen_Bond_Donor_Count	6
58213457	Molecular_Weight	342.30
1716	Total_Formal_Charge	0
163668741	Total_Formal_Charge	0
4826	Exact_Mass	245.16404563
11008198	Hydrogen_Bond_Donor_Count	0
44033	TPSA	16.6
135403832	Defined_Atom_Stereo_Count	1
13418386	Molecular_Weight	112.17
1942902	Rotatable_Bond_Count	5
11065	Non-hydrogen_Atom_Count	22
81415113	Hydrogen_Bond_Acceptor_Count	1
293676	Defined_Atom_Stereo_Count	0
11643846	Structure_Complexity	2330
37114	Defined_Bond_Stereo_Count	0
4366	TPSA	114
5352461	Hydrogen_Bond_Acceptor_Count	2
6591	Structure_Complexity	26.5
166581	Defined_Atom_Stereo_Count	0
102506015	TPSA	77.6
9793727	Molecular_Weight	112.13
16759177	Non-hydrogen_Atom_Count	26
160876	Total_Formal_Charge	1
44556162	Exact_Mass	676.30972162
3081459	Hydrogen_Bond_Donor_Count	0
21650627	Structure_Complexity	122
54757474	XLogP3-AA	4.7
88153493	Undefined_Bond_Stereo_Count	0
15526206	Non-hydrogen_Atom_Count	8
9547261	Defined_Bond_Stereo_Count	3
5280490	Defined_Atom_Stereo_Count	0
9868037	Isotope_Atom_Count	0
57473636	TPSA	20.3
75471	XLogP3-AA	0.9
439192	Hydrogen_Bond_Acceptor_Count	6
92915	Total_Formal_Charge	0
66030	Structure_Complexity	182
53249491	Isotope_Atom_Count	0
2706	Undefined_Atom_Stereo_Count	4
25171662	Defined_Bond_Stereo_Count	0
13331108	Defined_Atom_Stereo_Count	0
19604274	TPSA	67.4
544627	Covalent_Unit_Count	1
70691154	XLogP3-AA	3.3
8283	Covalent_Unit_Count	1
5282131	Undefined_Atom_Stereo_Count	0
162642814	Total_Formal_Charge	0
69102	Rotatable_Bond_Count	0
444493	Molecular_Weight	809.6
133568304	XLogP3-AA	6.4
10233356	Non-hydrogen_Atom_Count	45
16480	Structure_Complexity	146
11711078	Non-hydrogen_Atom_Count	26
12389186	Molecular_Weight	86.09
60575	Defined_Atom_Stereo_Count	0
20912	TPSA	23.8
7124	Molecular_Weight	173.17
163263	Undefined_Bond_Stereo_Count	0
23974	Molecular_Weight	140.116
23087	Exact_Mass	153.078978594
65109	Hydrogen_Bond_Donor_Count	2
36920	Isotope_Atom_Count	0
232326	Defined_Atom_Stereo_Count	0
74448	Hydrogen_Bond_Donor_Count	0
3032910	TPSA	63.6
11151622	Mono_Isotopic_Weight	329.12632271
153884978	Mono_Isotopic_Weight	113.058911855
346695	Hydrogen_Bond_Acceptor_Count	2
25159190	XLogP3-AA	0.5
1811	Hydrogen_Bond_Donor_Count	2
73513	Isotope_Atom_Count	0
18622352	Rotatable_Bond_Count	1
28523	Hydrogen_Bond_Acceptor_Count	22
87700	Total_Formal_Charge	0
53396299	Defined_Atom_Stereo_Count	0
128913	Covalent_Unit_Count	1
7999	Molecular_Weight	288.70
21684469	Isotope_Atom_Count	0
167297	Molecular_Weight	660.7
2724055	Structure_Complexity	232
10219398	Structure_Complexity	160
55286629	Mono_Isotopic_Weight	96.068748264
42648	Total_Formal_Charge	0
6723	Isotope_Atom_Count	0
2724951	Hydrogen_Bond_Acceptor_Count	2
130114929	Undefined_Bond_Stereo_Count	0
253602	Undefined_Bond_Stereo_Count	0
41185	Isotope_Atom_Count	0
547785	Rotatable_Bond_Count	3
261501	Mono_Isotopic_Weight	261.06709375
24181805	Non-hydrogen_Atom_Count	28
68976065	Covalent_Unit_Count	1
11040652	Exact_Mass	111.068413911
8515	Isotope_Atom_Count	0
71467	Isotope_Atom_Count	0
83619503	Undefined_Bond_Stereo_Count	0
23667546	Defined_Atom_Stereo_Count	3
6386307	Molecular_Weight	354.5
24868270	Undefined_Bond_Stereo_Count	0
167495	Isotope_Atom_Count	0
62305	Non-hydrogen_Atom_Count	34
101342681	Rotatable_Bond_Count	9
24180717	TPSA	68.7
5460294	Hydrogen_Bond_Donor_Count	1
2913	Undefined_Atom_Stereo_Count	0
24066	TPSA	88.2
11048	Hydrogen_Bond_Donor_Count	0
5281894	Defined_Bond_Stereo_Count	0
10709065	Covalent_Unit_Count	1
82458	XLogP3-AA	5.9
44418576	Defined_Bond_Stereo_Count	0
25014810	Hydrogen_Bond_Acceptor_Count	4
5311308	Molecular_Weight	301.77
12639	Defined_Atom_Stereo_Count	0
5280953	Covalent_Unit_Count	1
5323984	Undefined_Bond_Stereo_Count	0
71311337	Hydrogen_Bond_Donor_Count	1
15558642	Hydrogen_Bond_Donor_Count	2
133109195	Structure_Complexity	1150
117406	Rotatable_Bond_Count	3
17424	Mono_Isotopic_Weight	276.00774492
91302186	Defined_Atom_Stereo_Count	0
7045654	Total_Formal_Charge	1
96090	Mono_Isotopic_Weight	111.048427358
18442760	XLogP3-AA	0.9
21331354	Non-hydrogen_Atom_Count	8
25001849	Covalent_Unit_Count	1
146468	Non-hydrogen_Atom_Count	14
87220078	Hydrogen_Bond_Donor_Count	0
20936	Undefined_Bond_Stereo_Count	0
526739	TPSA	35.5
12899069	Total_Formal_Charge	0
25935	Undefined_Atom_Stereo_Count	0
53405	Exact_Mass	426.1921498
12497562	Hydrogen_Bond_Acceptor_Count	1
10337	Defined_Atom_Stereo_Count	0
6921	Undefined_Atom_Stereo_Count	0
136591997	Non-hydrogen_Atom_Count	7
13445099	Non-hydrogen_Atom_Count	8
3129049	Undefined_Bond_Stereo_Count	0
28343	Tautomer_Count	1
10822	Hydrogen_Bond_Acceptor_Count	1
137895	Defined_Atom_Stereo_Count	0
328397	Structure_Complexity	85.4
16736547	Isotope_Atom_Count	0
64164	Covalent_Unit_Count	1
45256108	Rotatable_Bond_Count	3
6429	Defined_Atom_Stereo_Count	0
11007841	Hydrogen_Bond_Donor_Count	0
21031	Covalent_Unit_Count	1
13799	TPSA	165
7371	TPSA	62.8
5372405	Molecular_Weight	281.31
8030	Molecular_Weight	84.14
962	Isotope_Atom_Count	0
250716	TPSA	105
76217	Undefined_Bond_Stereo_Count	0
20055036	Non-hydrogen_Atom_Count	27
10742787	Hydrogen_Bond_Donor_Count	4
10987299	Undefined_Atom_Stereo_Count	0
30177	Undefined_Bond_Stereo_Count	1
54688689	Undefined_Atom_Stereo_Count	1
10083884	Defined_Atom_Stereo_Count	1
8305	Structure_Complexity	400
5497195	Defined_Atom_Stereo_Count	2
656575	Isotope_Atom_Count	0
129830033	Isotope_Atom_Count	0
142882	Hydrogen_Bond_Donor_Count	1
20270668	Total_Formal_Charge	0
19992510	Mono_Isotopic_Weight	112.088815002
3073200	Covalent_Unit_Count	1
11979606	Undefined_Bond_Stereo_Count	0
4913256	Undefined_Atom_Stereo_Count	0
73425700	TPSA	97.3
562	Hydrogen_Bond_Acceptor_Count	4
433	Undefined_Atom_Stereo_Count	1
156618179	Mono_Isotopic_Weight	342.11621151
140898864	Non-hydrogen_Atom_Count	8
123298319	Defined_Atom_Stereo_Count	0
24867851	Hydrogen_Bond_Donor_Count	1
130147045	Covalent_Unit_Count	1
10108830	TPSA	91.4
442965	Tautomer_Count	1
13440628	Mono_Isotopic_Weight	115.063328530
9999	XLogP3	0.1
1483	TPSA	20.2
20503852	Covalent_Unit_Count	1
87612217	Hydrogen_Bond_Donor_Count	1
6473973	Non-hydrogen_Atom_Count	47
123467456	Structure_Complexity	72.9
22481042	Isotope_Atom_Count	0
873	Hydrogen_Bond_Donor_Count	2
581	Defined_Atom_Stereo_Count	0
8164	TPSA	26.3
15432	TPSA	159
3017336	Molecular_Weight	114.14
14833	Total_Formal_Charge	0
60552	Molecular_Weight	148.54
76960246	Mono_Isotopic_Weight	449.059366
96359	Tautomer_Count	1
69347707	Defined_Atom_Stereo_Count	0
6537	XLogP3-AA	8.9
551	Isotope_Atom_Count	0
692	XLogP3-AA	2.3
72474	Hydrogen_Bond_Donor_Count	2
2741	XLogP3	1.6
44472831	Undefined_Bond_Stereo_Count	0
6951123	TPSA	49.3
90208	XLogP3-AA	1.1
67403	Undefined_Atom_Stereo_Count	0
13900354	Total_Formal_Charge	0
10046404	Non-hydrogen_Atom_Count	29
1674	TPSA	0
165363453	Isotope_Atom_Count	1
59259660	Rotatable_Bond_Count	3
12298	Defined_Bond_Stereo_Count	0
14831302	Rotatable_Bond_Count	2
18506429	Defined_Atom_Stereo_Count	0
22392829	Undefined_Bond_Stereo_Count	0
5284613	Non-hydrogen_Atom_Count	38
165345	Hydrogen_Bond_Donor_Count	1
25271829	Structure_Complexity	287
7203	Undefined_Atom_Stereo_Count	0
441333	Defined_Atom_Stereo_Count	0
723025	Hydrogen_Bond_Donor_Count	0
10599	Hydrogen_Bond_Donor_Count	1
22224160	Structure_Complexity	151
20807398	Rotatable_Bond_Count	20
537236	Undefined_Bond_Stereo_Count	0
16700308	Covalent_Unit_Count	1
6433272	Mono_Isotopic_Weight	925.50349992
10986	Structure_Complexity	25.5
15982533	Defined_Atom_Stereo_Count	0
54675783	TPSA	165
16638	Rotatable_Bond_Count	4
54608115	Mono_Isotopic_Weight	2163.9515005
58937356	Total_Formal_Charge	0
8262	Non-hydrogen_Atom_Count	13
637969	Structure_Complexity	30.9
90488850	Undefined_Bond_Stereo_Count	1
12233709	Exact_Mass	112.088815002
2178	Total_Formal_Charge	1
20522198	Undefined_Bond_Stereo_Count	0
44395101	Defined_Atom_Stereo_Count	0
55	Defined_Atom_Stereo_Count	0
9900	Non-hydrogen_Atom_Count	26
16259	Tautomer_Count	1
66769579	Exact_Mass	97.052763847
6443013	Non-hydrogen_Atom_Count	21
57952	Molecular_Weight	380.4
6389	Defined_Atom_Stereo_Count	0
22975832	Covalent_Unit_Count	1
73330464	TPSA	90
11334	Exact_Mass	161.9639201
44251605	Molecular_Weight	320.4
80108978	Molecular_Weight	112.13
21322	Tautomer_Count	2
67641738	Non-hydrogen_Atom_Count	12
23668479	Exact_Mass	482.11162741
71158	Isotope_Atom_Count	0
448991	Isotope_Atom_Count	0
85968590	Non-hydrogen_Atom_Count	7
18447	TPSA	40
17820196	Hydrogen_Bond_Donor_Count	0
126011	Tautomer_Count	1
89089	Structure_Complexity	325
145627882	Defined_Bond_Stereo_Count	0
34763	Defined_Bond_Stereo_Count	0
701518	Covalent_Unit_Count	1
15660	Exact_Mass	210.209598838
62946	Hydrogen_Bond_Donor_Count	2
577	Exact_Mass	342.14002096
71587201	Undefined_Atom_Stereo_Count	0
81364	Isotope_Atom_Count	0
12310951	Exact_Mass	363.872766
9387	Undefined_Bond_Stereo_Count	0
2882	Undefined_Atom_Stereo_Count	0
5367415	Non-hydrogen_Atom_Count	6
137735	Undefined_Atom_Stereo_Count	0
53304446	Undefined_Atom_Stereo_Count	0
440053	Total_Formal_Charge	0
534094	Rotatable_Bond_Count	1
123672484	Hydrogen_Bond_Donor_Count	0
10254	Defined_Atom_Stereo_Count	0
5485193	Structure_Complexity	619
123671885	Covalent_Unit_Count	1
682	Molecular_Weight	195.17
9864	Defined_Atom_Stereo_Count	0
46437	TPSA	29.1
13788048	Structure_Complexity	520
93577	Tautomer_Count	1
138375	Non-hydrogen_Atom_Count	7
657381	Non-hydrogen_Atom_Count	26
613365	Defined_Atom_Stereo_Count	0
62737	Non-hydrogen_Atom_Count	28
4278	Mono_Isotopic_Weight	172.09602564
824784	XLogP3-AA	4.5
102821	Defined_Atom_Stereo_Count	0
8134	Tautomer_Count	1
19731	Non-hydrogen_Atom_Count	45
63954	Exact_Mass	415.09906259
134338399	Mono_Isotopic_Weight	108.032362755
22149470	Mono_Isotopic_Weight	100.100048391
79037	Structure_Complexity	99.1
18241	Undefined_Bond_Stereo_Count	0
162349	Total_Formal_Charge	0
71117	Molecular_Weight	346.4
84075989	Non-hydrogen_Atom_Count	8
14421	Undefined_Bond_Stereo_Count	0
6386647	TPSA	41.8
9812763	Defined_Bond_Stereo_Count	0
11957587	Molecular_Weight	875.1
11593	Structure_Complexity	106
73755062	Defined_Bond_Stereo_Count	6
29685	Mono_Isotopic_Weight	341.13755610
10113978	Hydrogen_Bond_Donor_Count	2
46840946	Rotatable_Bond_Count	6
59850618	XLogP3-AA	2.2
6658	TPSA	26.3
84221363	Defined_Atom_Stereo_Count	0
157882	Hydrogen_Bond_Donor_Count	1
31416	Rotatable_Bond_Count	4
3025961	Undefined_Atom_Stereo_Count	0
56927919	Undefined_Atom_Stereo_Count	3
216269	Mono_Isotopic_Weight	424.13042228
6440900	Exact_Mass	156.04225873
91739	Tautomer_Count	1
56949747	Exact_Mass	417.20524173
188914	Defined_Bond_Stereo_Count	0
91543	XLogP3-AA	2.2
20232410	Molecular_Weight	113.11
12449	Exact_Mass	482.22392874
693802	Isotope_Atom_Count	0
53232607	Molecular_Weight	465.5
12326432	Structure_Complexity	91.7
32592	Undefined_Bond_Stereo_Count	0
44310710	Covalent_Unit_Count	1
4721	Isotope_Atom_Count	0
200213	Total_Formal_Charge	0
18520896	Molecular_Weight	124.10
8006	XLogP3-AA	1.9
21617086	Non-hydrogen_Atom_Count	8
57564	Defined_Bond_Stereo_Count	0
548282	Isotope_Atom_Count	0
613589	Tautomer_Count	1
53798643	Isotope_Atom_Count	0
13808253	Molecular_Weight	100.12
266052	Defined_Bond_Stereo_Count	0
9954083	XLogP3	4.5
9962911	Undefined_Atom_Stereo_Count	1
7092	Structure_Complexity	220
87605	Defined_Atom_Stereo_Count	0
11094545	Covalent_Unit_Count	1
10887853	Covalent_Unit_Count	1
12266719	Defined_Bond_Stereo_Count	0
12257	Defined_Atom_Stereo_Count	0
19658	Undefined_Bond_Stereo_Count	0
456255	Undefined_Bond_Stereo_Count	0
9874875	Hydrogen_Bond_Donor_Count	1
54384029	Rotatable_Bond_Count	0
81831	Mono_Isotopic_Weight	229.06200837
15272297	Undefined_Atom_Stereo_Count	0
25512	Defined_Atom_Stereo_Count	0
5275508	Structure_Complexity	342
139771583	Defined_Atom_Stereo_Count	0
86287524	Covalent_Unit_Count	1
21311941	Defined_Bond_Stereo_Count	0
24901211	Mono_Isotopic_Weight	493.20352765
22160812	Defined_Atom_Stereo_Count	0
69046	Hydrogen_Bond_Donor_Count	2
162343997	Defined_Atom_Stereo_Count	0
5353584	Covalent_Unit_Count	1
7038	Mono_Isotopic_Weight	183.068413911
87481476	Isotope_Atom_Count	0
721861	Non-hydrogen_Atom_Count	14
23379007	Total_Formal_Charge	0
50901	TPSA	68.9
439196	Isotope_Atom_Count	0
79964	Defined_Bond_Stereo_Count	0
6597	Hydrogen_Bond_Donor_Count	1
57249823	XLogP3-AA	1.1
121904	Covalent_Unit_Count	1
437289	Structure_Complexity	604
7757	Structure_Complexity	106
56627	Molecular_Weight	510.3
35136	Rotatable_Bond_Count	1
10197643	Exact_Mass	103.063328530
643209	Covalent_Unit_Count	1
90725416	Structure_Complexity	1830
12656861	Rotatable_Bond_Count	0
11105314	Exact_Mass	97.052763847
60937	Total_Formal_Charge	0
297691	Molecular_Weight	337.2
134694358	Defined_Bond_Stereo_Count	0
11750	Rotatable_Bond_Count	1
86439	Non-hydrogen_Atom_Count	29
4453511	Defined_Atom_Stereo_Count	0
8283	Mono_Isotopic_Weight	220.182715385
72199432	Hydrogen_Bond_Donor_Count	4
8722	TPSA	72.7
20396384	Hydrogen_Bond_Donor_Count	1
13040867	Rotatable_Bond_Count	0
54681908	Undefined_Bond_Stereo_Count	0
882889	XLogP3-AA	5
350825	Undefined_Atom_Stereo_Count	0
123964	Tautomer_Count	32
10737	TPSA	20.3
68013637	Hydrogen_Bond_Donor_Count	8
611370	TPSA	67.2
10942338	Exact_Mass	86.036779430
18941761	Covalent_Unit_Count	1
68015385	Isotope_Atom_Count	0
7067874	Defined_Atom_Stereo_Count	5
71300410	Defined_Bond_Stereo_Count	0
45488115	Defined_Bond_Stereo_Count	0
16102853	Defined_Atom_Stereo_Count	1
3061720	Total_Formal_Charge	0
12441598	Mono_Isotopic_Weight	116.083729621
72390	Molecular_Weight	147.15
13798887	Defined_Atom_Stereo_Count	3
5282165	Undefined_Bond_Stereo_Count	0
67233382	Exact_Mass	367.12560926
4820	Covalent_Unit_Count	1
4278	Total_Formal_Charge	0
2735932	Total_Formal_Charge	0
24821094	Exact_Mass	440.19607403
120	Total_Formal_Charge	0
12704941	Isotope_Atom_Count	0
7017101	Molecular_Weight	124.14
1449	Molecular_Weight	280.4
85843728	Hydrogen_Bond_Acceptor_Count	2
9839657	Rotatable_Bond_Count	3
11950726	Isotope_Atom_Count	0
9823293	TPSA	54
69091	Defined_Atom_Stereo_Count	0
82740	TPSA	317
269842	Structure_Complexity	362
57514051	Isotope_Atom_Count	0
53643991	Undefined_Bond_Stereo_Count	0
129010338	Exact_Mass	416.32904526
5228468	Structure_Complexity	85.3
68741375	Undefined_Bond_Stereo_Count	0
64466	Tautomer_Count	3
11	Total_Formal_Charge	0
54740489	Molecular_Weight	390.31
54870	Rotatable_Bond_Count	2
135398508	Defined_Bond_Stereo_Count	0
11482181	Defined_Bond_Stereo_Count	0
32345	Covalent_Unit_Count	1
5702243	Structure_Complexity	1370
129651417	Exact_Mass	163.0188769
11643	Hydrogen_Bond_Acceptor_Count	1
5466987	Structure_Complexity	808
11073377	Undefined_Bond_Stereo_Count	0
16154490	Hydrogen_Bond_Acceptor_Count	31
5360315	Isotope_Atom_Count	0
56640146	TPSA	113
54581	TPSA	106
89197	Mono_Isotopic_Weight	111.068413911
164282	Covalent_Unit_Count	1
86076173	Exact_Mass	96.057514874
6060	Isotope_Atom_Count	0
115817	Molecular_Weight	413.3
6438372	Covalent_Unit_Count	1
303547	TPSA	43.1
5935	Molecular_Weight	192.5
4062	Exact_Mass	246.173213330
657250	Hydrogen_Bond_Acceptor_Count	14
57465876	Defined_Atom_Stereo_Count	0
336423	Defined_Atom_Stereo_Count	0
9928397	Hydrogen_Bond_Donor_Count	1
99143	Undefined_Atom_Stereo_Count	0
69333926	Molecular_Weight	108.10
57224326	Hydrogen_Bond_Acceptor_Count	1
12705074	Rotatable_Bond_Count	2
123867503	Total_Formal_Charge	0
9985199	Hydrogen_Bond_Donor_Count	3
246511	Molecular_Weight	271.35
49862690	Hydrogen_Bond_Acceptor_Count	5
67707714	Mono_Isotopic_Weight	114.068079557
388136	Isotope_Atom_Count	0
101692378	Undefined_Atom_Stereo_Count	3
194774	Undefined_Atom_Stereo_Count	0
1434	Covalent_Unit_Count	1
735319	XLogP3-AA	3.5
90695524	Structure_Complexity	124
11440492	Total_Formal_Charge	0
3674	Molecular_Weight	311.3
37250	Hydrogen_Bond_Donor_Count	0
55300028	Hydrogen_Bond_Acceptor_Count	1
19127	Molecular_Weight	265.35
4871	Non-hydrogen_Atom_Count	31
118086727	Exact_Mass	116.083729621
128600	Defined_Bond_Stereo_Count	0
44571222	Mono_Isotopic_Weight	455.21328145
1227	XLogP3-AA	0.3
14985552	Exact_Mass	107.073499291
150175	Total_Formal_Charge	0
75427	Rotatable_Bond_Count	5
14792	Mono_Isotopic_Weight	39.9799563
656954	Exact_Mass	271.06447134
77016	Hydrogen_Bond_Acceptor_Count	4
124222212	Rotatable_Bond_Count	3
102004607	Molecular_Weight	1229.3
24183644	Undefined_Atom_Stereo_Count	0
53479	Non-hydrogen_Atom_Count	14
162247	Mono_Isotopic_Weight	116.131348519
21145	TPSA	0
43704	TPSA	98.4
66624275	Defined_Bond_Stereo_Count	0
6603720	Hydrogen_Bond_Acceptor_Count	3
12460	TPSA	12.5
12150354	Structure_Complexity	46.8
19161	Defined_Atom_Stereo_Count	0
21864432	Mono_Isotopic_Weight	173.00861288
141427445	Isotope_Atom_Count	0
61259	Hydrogen_Bond_Acceptor_Count	1
738952	Total_Formal_Charge	0
10701806	Defined_Bond_Stereo_Count	0
36303	XLogP3-AA	3.2
5361309	Defined_Bond_Stereo_Count	1
548945	XLogP3-AA	3.5
11029889	TPSA	83.6
4961971	Non-hydrogen_Atom_Count	7
39688	Total_Formal_Charge	0
16114404	Undefined_Atom_Stereo_Count	0
86380	Defined_Atom_Stereo_Count	0
10013505	Tautomer_Count	3
145948323	Exact_Mass	958.55145317
3074	Undefined_Bond_Stereo_Count	0
23525993	Rotatable_Bond_Count	3
4839	Rotatable_Bond_Count	6
58781694	Defined_Bond_Stereo_Count	0
222757	Exact_Mass	376.20384475
9961766	Hydrogen_Bond_Acceptor_Count	9
85824359	Structure_Complexity	80
26534	Defined_Bond_Stereo_Count	0
8682	TPSA	93.8
129876172	Undefined_Atom_Stereo_Count	0
52918127	Hydrogen_Bond_Donor_Count	1
7314	Exact_Mass	358.11112613
70624	Rotatable_Bond_Count	1
44370729	Mono_Isotopic_Weight	237.07832714
7495	Total_Formal_Charge	0
3924	Defined_Bond_Stereo_Count	0
6474640	Hydrogen_Bond_Donor_Count	7
3388301	Molecular_Weight	220.03
58481202	Molecular_Weight	342.30
91746262	Exact_Mass	342.11621151
31331	Defined_Bond_Stereo_Count	0
129870262	Hydrogen_Bond_Acceptor_Count	2
40466957	Total_Formal_Charge	0
56683653	Defined_Atom_Stereo_Count	0
98685	Undefined_Bond_Stereo_Count	0
11369	TPSA	26
13469816	Covalent_Unit_Count	1
10953432	XLogP3-AA	0.6
594781	Isotope_Atom_Count	0
11137427	Rotatable_Bond_Count	3
59125088	Molecular_Weight	182.16
695341	Rotatable_Bond_Count	3
62708	Undefined_Bond_Stereo_Count	0
693050	Undefined_Bond_Stereo_Count	0
4744	Total_Formal_Charge	0
16050552	Exact_Mass	395.25727730
23662389	Structure_Complexity	670
176407	Hydrogen_Bond_Acceptor_Count	8
70763	Exact_Mass	142.135765193
35935	Covalent_Unit_Count	1
70383887	Defined_Atom_Stereo_Count	0
185682	Molecular_Weight	83.09
135423438	Non-hydrogen_Atom_Count	40
6956334	Isotope_Atom_Count	0
76988	Undefined_Bond_Stereo_Count	0
156391	Isotope_Atom_Count	0
40870	Mono_Isotopic_Weight	283.1139201
16748289	Molecular_Weight	318.3
6990	Structure_Complexity	155
69561	Total_Formal_Charge	0
16129682	Total_Formal_Charge	0
139444	Exact_Mass	108.093900383
4845	Covalent_Unit_Count	1
88495127	Exact_Mass	122.00376522
57395974	Exact_Mass	442.33077660
128882	Undefined_Bond_Stereo_Count	0
28125489	Non-hydrogen_Atom_Count	17
688217	Defined_Atom_Stereo_Count	1
61627	Non-hydrogen_Atom_Count	10
5324808	Isotope_Atom_Count	0
2442	Exact_Mass	375.99727
144402393	Total_Formal_Charge	0
138125	Hydrogen_Bond_Acceptor_Count	0
4816	Covalent_Unit_Count	1
175967	Structure_Complexity	627
102402827	Defined_Atom_Stereo_Count	9
43436578	Total_Formal_Charge	0
88586	Defined_Atom_Stereo_Count	0
67248938	XLogP3-AA	3
14020433	Hydrogen_Bond_Acceptor_Count	2
13049377	Exact_Mass	114.068079557
3797	Defined_Bond_Stereo_Count	0
12401	Structure_Complexity	123
5362376	Mono_Isotopic_Weight	444.1485709
73707356	TPSA	145
91486	Mono_Isotopic_Weight	301.298079487
69110	Hydrogen_Bond_Donor_Count	0
72732196	Structure_Complexity	89.7
13624608	Exact_Mass	189.053826475
363121	TPSA	99
13539	Defined_Bond_Stereo_Count	0
4021	Mono_Isotopic_Weight	174.079312947
5284459	Defined_Atom_Stereo_Count	0
3086674	Structure_Complexity	414
53346592	Exact_Mass	103.063328530
13087266	Hydrogen_Bond_Acceptor_Count	1
17769	Tautomer_Count	1
75355757	TPSA	33
4544	Isotope_Atom_Count	0
45488116	Defined_Bond_Stereo_Count	0
7807	Defined_Atom_Stereo_Count	0
9882105	Covalent_Unit_Count	1
149784	Hydrogen_Bond_Donor_Count	2
36976	Non-hydrogen_Atom_Count	19
413534	Rotatable_Bond_Count	4
6451285	Covalent_Unit_Count	1
51299	Non-hydrogen_Atom_Count	13
57131946	Exact_Mass	180.115029749
3058754	Defined_Bond_Stereo_Count	0
67279	Defined_Atom_Stereo_Count	0
5464200	Rotatable_Bond_Count	9
26533	Total_Formal_Charge	0
13613	Hydrogen_Bond_Acceptor_Count	3
92839	TPSA	29.5
7559	Non-hydrogen_Atom_Count	11
54678407	Covalent_Unit_Count	1
68510675	Hydrogen_Bond_Donor_Count	2
56955285	Isotope_Atom_Count	0
4911	TPSA	83.1
3483	Rotatable_Bond_Count	0
52654	Non-hydrogen_Atom_Count	18
92942	Undefined_Bond_Stereo_Count	0
53077	Defined_Atom_Stereo_Count	2
89759930	Defined_Atom_Stereo_Count	0
41867	Hydrogen_Bond_Acceptor_Count	12
21911205	Defined_Atom_Stereo_Count	0
158144361	TPSA	40.5
22135	Isotope_Atom_Count	0
26710	Defined_Bond_Stereo_Count	0
148197	Defined_Bond_Stereo_Count	0
20821286	Defined_Bond_Stereo_Count	0
22058225	TPSA	126
22836365	Molecular_Weight	181.15
76152	Structure_Complexity	87.1
68845	Hydrogen_Bond_Donor_Count	1
2778339	Undefined_Atom_Stereo_Count	0
70106	Hydrogen_Bond_Donor_Count	0
18742	Defined_Bond_Stereo_Count	0
8783	Undefined_Bond_Stereo_Count	0
54840	Structure_Complexity	237
20387242	TPSA	12.2
53237541	TPSA	68
158366227	Defined_Bond_Stereo_Count	0
12061944	Non-hydrogen_Atom_Count	8
94317	Structure_Complexity	86.6
449013	Total_Formal_Charge	0
10496	Structure_Complexity	357
339496	Mono_Isotopic_Weight	279.92326
10466286	Defined_Atom_Stereo_Count	0
85945952	Defined_Bond_Stereo_Count	0
13023574	Hydrogen_Bond_Donor_Count	3
44402	Tautomer_Count	3
74049	Mono_Isotopic_Weight	113.084063974
1549016	Isotope_Atom_Count	0
287291	TPSA	74.6
10715	Undefined_Bond_Stereo_Count	0
709430	Mono_Isotopic_Weight	267.09291458
5463858	Molecular_Weight	303.35
11850899	Non-hydrogen_Atom_Count	24
141738	Rotatable_Bond_Count	2
271553	Hydrogen_Bond_Donor_Count	1
60789	Defined_Atom_Stereo_Count	1
55288167	Structure_Complexity	74.1
11804701	Defined_Bond_Stereo_Count	0
19425	Molecular_Weight	80.09
121731	XLogP3-AA	2.1
319701	Hydrogen_Bond_Acceptor_Count	5
12233	Hydrogen_Bond_Acceptor_Count	1
94647	Defined_Bond_Stereo_Count	0
4695	TPSA	132
30318	Defined_Atom_Stereo_Count	0
3386966	Undefined_Bond_Stereo_Count	0
457928	TPSA	101
2256	Undefined_Atom_Stereo_Count	0
3241	Molecular_Weight	249.31
18101	Total_Formal_Charge	0
94744	Defined_Atom_Stereo_Count	0
6338	Hydrogen_Bond_Donor_Count	0
12459572	Covalent_Unit_Count	1
70692775	Undefined_Bond_Stereo_Count	0
96029	Undefined_Atom_Stereo_Count	0
9375	Exact_Mass	206.141913202
9855548	Undefined_Bond_Stereo_Count	0
54071	Structure_Complexity	197
79608	Defined_Bond_Stereo_Count	0
7090	Covalent_Unit_Count	1
19067957	Total_Formal_Charge	0
5352728	TPSA	75.9
30190	Exact_Mass	414.161979940
7058	Undefined_Atom_Stereo_Count	0
790	Covalent_Unit_Count	1
20140	Hydrogen_Bond_Donor_Count	1
19490	TPSA	26.3
16404350	Molecular_Weight	1202.6
119476	Isotope_Atom_Count	0
9960389	Molecular_Weight	603.1
91759534	Non-hydrogen_Atom_Count	14
59736263	TPSA	63.8
56670167	Rotatable_Bond_Count	4
3084101	Mono_Isotopic_Weight	309.714777
14899645	Exact_Mass	216.151415257
23676225	Structure_Complexity	682
45714	Rotatable_Bond_Count	1
6427044	Structure_Complexity	2070
2995	TPSA	15.3
1083	Total_Formal_Charge	0
101613952	Defined_Bond_Stereo_Count	0
456362	Covalent_Unit_Count	2
2353	TPSA	40.8
32281	Undefined_Atom_Stereo_Count	3
89402065	Exact_Mass	111.043261792
68901306	Covalent_Unit_Count	1
402827	Hydrogen_Bond_Acceptor_Count	9
12502857	Non-hydrogen_Atom_Count	7
16318	Molecular_Weight	498.6
10290744	Isotope_Atom_Count	0
43116	Exact_Mass	851.37752882
147895	TPSA	231
144793800	Mono_Isotopic_Weight	102.079312947
179	Molecular_Weight	88.11
56430	Structure_Complexity	87.9
54960	Total_Formal_Charge	0
67465	Tautomer_Count	4
54325138	Hydrogen_Bond_Donor_Count	1
146755429	Covalent_Unit_Count	1
12425338	Molecular_Weight	114.19
444913	Non-hydrogen_Atom_Count	66
6674	Mono_Isotopic_Weight	402.24062418
710649	Molecular_Weight	318.4
141704	Isotope_Atom_Count	0
8847	Total_Formal_Charge	0
2688	Non-hydrogen_Atom_Count	20
9796440	Structure_Complexity	34.6
74859	Defined_Bond_Stereo_Count	0
43184	Covalent_Unit_Count	2
56339	Structure_Complexity	547
3155	Hydrogen_Bond_Acceptor_Count	2
31736	Structure_Complexity	320
60688467	Exact_Mass	97.089149355
430795	Isotope_Atom_Count	0
25013898	Undefined_Atom_Stereo_Count	3
12398	Covalent_Unit_Count	1
77314	Undefined_Atom_Stereo_Count	0
73233	Defined_Bond_Stereo_Count	0
153067665	Covalent_Unit_Count	1
12706145	Mono_Isotopic_Weight	112.088815002
164610	Isotope_Atom_Count	0
9109	Tautomer_Count	1
8794	Mono_Isotopic_Weight	117.057849228
13019052	Rotatable_Bond_Count	6
61018	Isotope_Atom_Count	0
2536	Molecular_Weight	398.4
17855362	Non-hydrogen_Atom_Count	6
15493437	Structure_Complexity	101
24839546	Mono_Isotopic_Weight	420.13550766
90444	Total_Formal_Charge	0
12389611	Non-hydrogen_Atom_Count	8
7486	Defined_Bond_Stereo_Count	0
66942740	Hydrogen_Bond_Donor_Count	1
138753050	TPSA	145
31368	Defined_Bond_Stereo_Count	0
11669987	TPSA	88
3971	Molecular_Weight	306.4
85500	Non-hydrogen_Atom_Count	26
13559279	Rotatable_Bond_Count	3
19494	Hydrogen_Bond_Acceptor_Count	2
62275	Hydrogen_Bond_Acceptor_Count	4
21864369	Tautomer_Count	970
91593	Hydrogen_Bond_Donor_Count	0
7361	Hydrogen_Bond_Acceptor_Count	2
90935301	Defined_Bond_Stereo_Count	0
9830667	Mono_Isotopic_Weight	629.32470541
9905875	Exact_Mass	338.11879497
3086677	Covalent_Unit_Count	1
87288706	Undefined_Bond_Stereo_Count	0
3858	Isotope_Atom_Count	0
87653	XLogP3-AA	0.3
5496539	Total_Formal_Charge	1
12933420	Covalent_Unit_Count	1
68553	Undefined_Bond_Stereo_Count	0
40390	Covalent_Unit_Count	2
5460887	Hydrogen_Bond_Acceptor_Count	9
75516	Total_Formal_Charge	0
59392023	Hydrogen_Bond_Donor_Count	2
10307853	Covalent_Unit_Count	1
11446306	Non-hydrogen_Atom_Count	8
135347950	Hydrogen_Bond_Donor_Count	1
25014653	TPSA	768
10689555	XLogP3	1
13311642	Mono_Isotopic_Weight	102.068079557
90827926	TPSA	9.2
129652979	Exact_Mass	98.036779430
13799	Molecular_Weight	448.5
68979856	Defined_Bond_Stereo_Count	0
14512801	Isotope_Atom_Count	0
44120020	Defined_Bond_Stereo_Count	0
5288149	Undefined_Atom_Stereo_Count	0
20243737	Hydrogen_Bond_Acceptor_Count	1
129474	Exact_Mass	291.18344366
21096	Structure_Complexity	151
14084036	Covalent_Unit_Count	1
78644	Covalent_Unit_Count	1
20429663	Rotatable_Bond_Count	1
14577976	Undefined_Bond_Stereo_Count	0
457801	Exact_Mass	414.386166214
10935908	Molecular_Weight	313.4
8205	Undefined_Bond_Stereo_Count	0
122501	Non-hydrogen_Atom_Count	12
69293	Non-hydrogen_Atom_Count	15
11625425	Hydrogen_Bond_Acceptor_Count	10
96092	Undefined_Bond_Stereo_Count	0
1437838	Mono_Isotopic_Weight	345.0931846
185902	Rotatable_Bond_Count	5
87595695	Molecular_Weight	100.16
5001396	Hydrogen_Bond_Donor_Count	0
139637653	Covalent_Unit_Count	1
38971	Hydrogen_Bond_Donor_Count	2
4409	XLogP3	3.1
5121	Molecular_Weight	283.19
71709	Defined_Atom_Stereo_Count	0
118984411	Exact_Mass	405.14323607
141096113	Mono_Isotopic_Weight	116.083729621
5330790	Tautomer_Count	5
1222	Hydrogen_Bond_Donor_Count	3
17994055	Undefined_Atom_Stereo_Count	0
213021	TPSA	52.3
54340209	Covalent_Unit_Count	1
5343	Defined_Atom_Stereo_Count	0
947275	Isotope_Atom_Count	0
21594228	Tautomer_Count	1
105426996	Covalent_Unit_Count	1
57750369	Defined_Atom_Stereo_Count	0
20220679	Molecular_Weight	114.14
135876149	Undefined_Atom_Stereo_Count	0
9466	Structure_Complexity	131
44205240	Exact_Mass	371.11644398
589863	Hydrogen_Bond_Donor_Count	0
574613	Molecular_Weight	113.09
479503	TPSA	94.8
78075	XLogP3-AA	3.3
24870	Isotope_Atom_Count	0
6972	Undefined_Atom_Stereo_Count	0
135544356	Hydrogen_Bond_Acceptor_Count	16
88191	Undefined_Bond_Stereo_Count	0
5003096	TPSA	67.4
16768425	XLogP3-AA	0.9
151258	Tautomer_Count	1
17234	Defined_Bond_Stereo_Count	0
4476692	Undefined_Atom_Stereo_Count	3
19828862	Isotope_Atom_Count	0
10006	Total_Formal_Charge	0
13245716	Undefined_Bond_Stereo_Count	0
136502787	Defined_Bond_Stereo_Count	0
135408763	Defined_Bond_Stereo_Count	0
84552	XLogP3-AA	0.8
12146	XLogP3-AA	1.9
129710762	TPSA	59.1
8998	Hydrogen_Bond_Acceptor_Count	4
13045210	Undefined_Bond_Stereo_Count	0
67000	Non-hydrogen_Atom_Count	11
13109	XLogP3	3.3
2804997	XLogP3-AA	5.5
22087370	Defined_Atom_Stereo_Count	0
77241	Undefined_Bond_Stereo_Count	0
10975431	Molecular_Weight	108.14
60195905	Undefined_Bond_Stereo_Count	0
22386270	TPSA	44.3
51029603	Hydrogen_Bond_Donor_Count	0
135779804	Rotatable_Bond_Count	4
20230230	Undefined_Atom_Stereo_Count	0
71583603	Structure_Complexity	558
32897	Undefined_Bond_Stereo_Count	0
88481085	Mono_Isotopic_Weight	424.37925923
20515773	TPSA	46.3
9894291	Total_Formal_Charge	0
5702159	Defined_Bond_Stereo_Count	0
360901	Mono_Isotopic_Weight	534.15259702
177976	Undefined_Atom_Stereo_Count	1
53977611	Non-hydrogen_Atom_Count	7
10225191	Undefined_Atom_Stereo_Count	0
144895707	Hydrogen_Bond_Acceptor_Count	0
142243302	Undefined_Bond_Stereo_Count	0
18980923	Non-hydrogen_Atom_Count	7
712967	XLogP3-AA	3.6
57031203	XLogP3-AA	0.2
7335	Covalent_Unit_Count	1
78361	Undefined_Atom_Stereo_Count	0
60144418	Defined_Atom_Stereo_Count	0
569599	Mono_Isotopic_Weight	284.06194880
2279	Covalent_Unit_Count	1
6433427	Defined_Atom_Stereo_Count	0
12656387	Hydrogen_Bond_Acceptor_Count	2
15942892	Molecular_Weight	343.32
10438	Defined_Atom_Stereo_Count	0
19426425	Covalent_Unit_Count	1
893563	Exact_Mass	335.12699141
22563961	Covalent_Unit_Count	1
20330	Defined_Bond_Stereo_Count	0
129671452	Structure_Complexity	122
5288365	Non-hydrogen_Atom_Count	18
7993	Rotatable_Bond_Count	3
24759094	Non-hydrogen_Atom_Count	32
25975	Exact_Mass	126.9353597
55290587	XLogP3-AA	0.6
11045	Covalent_Unit_Count	1
10180799	Defined_Bond_Stereo_Count	0
24199050	Covalent_Unit_Count	1
39617	Rotatable_Bond_Count	3
17797813	Total_Formal_Charge	0
8246	Covalent_Unit_Count	2
12036651	Rotatable_Bond_Count	5
118209675	XLogP3-AA	0.2
71309128	TPSA	110
2093	Hydrogen_Bond_Acceptor_Count	0
4206565	XLogP3	2.3
3713298	XLogP3	0.9
799	Undefined_Bond_Stereo_Count	0
9862646	Mono_Isotopic_Weight	337.17902698
53846435	Exact_Mass	416.32904526
85912645	Molecular_Weight	98.10
157787142	Defined_Bond_Stereo_Count	0
192155	Rotatable_Bond_Count	7
15580	Molecular_Weight	277.14
3793	Structure_Complexity	1120
101526	Undefined_Atom_Stereo_Count	0
3074827	Undefined_Atom_Stereo_Count	0
145707274	Hydrogen_Bond_Donor_Count	1
11094575	Hydrogen_Bond_Donor_Count	1
9835303	Undefined_Atom_Stereo_Count	0
11634725	Defined_Bond_Stereo_Count	0
2905	Mono_Isotopic_Weight	291.18344366
1139	Molecular_Weight	322.21
12	Defined_Bond_Stereo_Count	0
97995	Molecular_Weight	140.22
260809	Hydrogen_Bond_Acceptor_Count	3
34927	Undefined_Bond_Stereo_Count	0
22157803	Molecular_Weight	114.14
61489	TPSA	177
9133	Mono_Isotopic_Weight	203.073499291
76979151	Exact_Mass	117.078978594
88638	Hydrogen_Bond_Donor_Count	2
26058	Exact_Mass	170.203450829
126968519	Undefined_Atom_Stereo_Count	1
16129703	Molecular_Weight	6963
74889149	Defined_Atom_Stereo_Count	0
110968	Undefined_Atom_Stereo_Count	1
154214	Rotatable_Bond_Count	4
29088	Undefined_Atom_Stereo_Count	0
91933514	Hydrogen_Bond_Donor_Count	27
140152057	Defined_Atom_Stereo_Count	0
9627	Rotatable_Bond_Count	0
23163355	Isotope_Atom_Count	0
2127	Defined_Atom_Stereo_Count	0
190550	TPSA	38
2759227	Covalent_Unit_Count	1
70691981	Mono_Isotopic_Weight	491.21686904
15271	Tautomer_Count	1
11796	XLogP3	3
102366731	Undefined_Bond_Stereo_Count	0
9915	Hydrogen_Bond_Acceptor_Count	2
71584056	Undefined_Bond_Stereo_Count	0
56120	Defined_Atom_Stereo_Count	0
76704897	Isotope_Atom_Count	0
1142	Rotatable_Bond_Count	23
46781844	Tautomer_Count	1
8612	Total_Formal_Charge	0
101658	Rotatable_Bond_Count	2
87877	Hydrogen_Bond_Acceptor_Count	1
124409111	Mono_Isotopic_Weight	342.11621151
5361848	Rotatable_Bond_Count	5
7774	Molecular_Weight	228.28
3700118	Rotatable_Bond_Count	0
25015412	Molecular_Weight	518.6
69440016	TPSA	121
2085	XLogP3	3.2
6544	Exact_Mass	138.104465066
13871	Undefined_Bond_Stereo_Count	0
53806072	Undefined_Bond_Stereo_Count	0
410875	XLogP3-AA	3.5
151896	Defined_Bond_Stereo_Count	0
4924	Exact_Mass	219.02319428
9841	Mono_Isotopic_Weight	120.05865769
7525	XLogP3	0
86336697	Rotatable_Bond_Count	1
3966	Defined_Atom_Stereo_Count	0
12717	Undefined_Bond_Stereo_Count	0
18430468	Structure_Complexity	2
103544	Isotope_Atom_Count	0
71309503	Hydrogen_Bond_Acceptor_Count	6
126969108	Exact_Mass	868.56604061
89283371	Molecular_Weight	111.14
5284391	Undefined_Bond_Stereo_Count	0
12860067	Total_Formal_Charge	0
54106053	Hydrogen_Bond_Donor_Count	0
1052	Isotope_Atom_Count	0
12300006	XLogP3-AA	1.6
9939627	Rotatable_Bond_Count	21
2321753	Undefined_Atom_Stereo_Count	0
448972	Mono_Isotopic_Weight	433.1316954
135472946	Total_Formal_Charge	0
63976	Mono_Isotopic_Weight	358.14297583
57445155	Undefined_Atom_Stereo_Count	0
192826	Isotope_Atom_Count	0
85859899	TPSA	26.3
105166	Non-hydrogen_Atom_Count	1
16627	Defined_Atom_Stereo_Count	0
5057599	Defined_Bond_Stereo_Count	0
156614059	Structure_Complexity	112
2734118	Hydrogen_Bond_Acceptor_Count	0
31657	Undefined_Bond_Stereo_Count	1
9195	Undefined_Bond_Stereo_Count	0
398654	XLogP3-AA	0.5
4974205	Defined_Atom_Stereo_Count	0
9570071	Covalent_Unit_Count	1
22138130	Covalent_Unit_Count	1
54490	XLogP3	2.5
16091082	Defined_Atom_Stereo_Count	0
6673	Rotatable_Bond_Count	0
20674	Hydrogen_Bond_Acceptor_Count	4
200742	Isotope_Atom_Count	0
28837	Defined_Atom_Stereo_Count	0
10184529	Molecular_Weight	483.5
7940	Hydrogen_Bond_Acceptor_Count	3
163578456	Exact_Mass	115.063328530
11786594	TPSA	132
12275548	Undefined_Atom_Stereo_Count	0
135476784	Isotope_Atom_Count	0
398671	Covalent_Unit_Count	1
49865495	XLogP3-AA	1.8
6918457	XLogP3-AA	3.2
154496863	TPSA	190
22242539	Mono_Isotopic_Weight	116.071153562
6934	TPSA	88.8
83949	Hydrogen_Bond_Acceptor_Count	13
12452048	Mono_Isotopic_Weight	112.088815002
54280	Total_Formal_Charge	0
447569	Molecular_Weight	131.13
45278337	Exact_Mass	421.28983728
98458	Rotatable_Bond_Count	1
11829356	Defined_Bond_Stereo_Count	0
9849313	Mono_Isotopic_Weight	476.24099641
62333	Covalent_Unit_Count	1
221493	Rotatable_Bond_Count	4
11954292	Rotatable_Bond_Count	28
2376	Undefined_Bond_Stereo_Count	0
164610	Hydrogen_Bond_Donor_Count	2
6786	Defined_Atom_Stereo_Count	0
45467	Structure_Complexity	288
231931	Defined_Atom_Stereo_Count	0
173058	Hydrogen_Bond_Donor_Count	0
8257	XLogP3-AA	0.8
202877	Exact_Mass	256.0240655
30945	Hydrogen_Bond_Donor_Count	0
9963516	TPSA	60.7
95416	Hydrogen_Bond_Acceptor_Count	3
156232886	Covalent_Unit_Count	1
9805635	Total_Formal_Charge	0
7415	Exact_Mass	127.136099547
23519621	Isotope_Atom_Count	0
24426	Total_Formal_Charge	0
81093	Undefined_Bond_Stereo_Count	0
9500	Covalent_Unit_Count	1
4990	Hydrogen_Bond_Donor_Count	2
14231	Total_Formal_Charge	0
144731084	Hydrogen_Bond_Donor_Count	1
167451	Mono_Isotopic_Weight	383.1167324
7050	Defined_Bond_Stereo_Count	0
145913182	Total_Formal_Charge	0
86677009	Total_Formal_Charge	0
12814873	Hydrogen_Bond_Donor_Count	1
60714	Rotatable_Bond_Count	5
713	Rotatable_Bond_Count	0
591773	TPSA	83.8
91444	Non-hydrogen_Atom_Count	11
117059122	Mono_Isotopic_Weight	288.0521937
137698364	Isotope_Atom_Count	0
4568	Isotope_Atom_Count	0
7567277	Molecular_Weight	202.2
17188	Tautomer_Count	13
71464652	Hydrogen_Bond_Donor_Count	2
3717	Undefined_Bond_Stereo_Count	0
131664126	Defined_Atom_Stereo_Count	0
70681777	Undefined_Bond_Stereo_Count	0
9808844	Rotatable_Bond_Count	6
12942137	Mono_Isotopic_Weight	301.298079487
10770	Molecular_Weight	261.36
6335986	Molecular_Weight	427.5
18698713	Molecular_Weight	100.12
89770232	Hydrogen_Bond_Acceptor_Count	11
24883860	Rotatable_Bond_Count	20
57586319	Defined_Bond_Stereo_Count	0
57625	Undefined_Bond_Stereo_Count	0
5330213	TPSA	76.6
70606126	XLogP3-AA	0.7
57136075	Molecular_Weight	97.16
2754342	Undefined_Bond_Stereo_Count	0
154824784	Defined_Bond_Stereo_Count	0
1141	Tautomer_Count	1
90471707	Defined_Bond_Stereo_Count	0
101870	Defined_Atom_Stereo_Count	0
55263172	Hydrogen_Bond_Acceptor_Count	3
49865971	Undefined_Atom_Stereo_Count	0
3104	Undefined_Atom_Stereo_Count	4
441073	Tautomer_Count	1
56843898	Exact_Mass	418.013115
92337	Defined_Bond_Stereo_Count	0
19919696	Structure_Complexity	131
19871	Hydrogen_Bond_Acceptor_Count	1
8723	Mono_Isotopic_Weight	88.088815002
119583	Non-hydrogen_Atom_Count	42
6917793	TPSA	176
3474	Structure_Complexity	467
969488	Undefined_Atom_Stereo_Count	0
5479529	Undefined_Bond_Stereo_Count	0
1000	TPSA	46.2
13627570	Mono_Isotopic_Weight	116.058577502
73665	TPSA	47.4
118115	Defined_Bond_Stereo_Count	0
4268635	Mono_Isotopic_Weight	152.0392780
148135776	Structure_Complexity	121
11240515	Exact_Mass	101.084063974
95848	Rotatable_Bond_Count	7
49867926	Defined_Atom_Stereo_Count	0
7405	Undefined_Bond_Stereo_Count	0
6343	TPSA	1
17358	Molecular_Weight	146.06
71397987	TPSA	38.7
85708088	Defined_Bond_Stereo_Count	0
13764	Mono_Isotopic_Weight	275.05422040
19707	Defined_Atom_Stereo_Count	0
29025	XLogP3-AA	1.6
12268623	Structure_Complexity	122
88255060	Hydrogen_Bond_Acceptor_Count	6
60878	Non-hydrogen_Atom_Count	35
128549	Tautomer_Count	1
31246	TPSA	17.1
9859	Defined_Atom_Stereo_Count	0
12241264	Defined_Atom_Stereo_Count	2
273032	Hydrogen_Bond_Donor_Count	2
23063800	Molecular_Weight	111.15
138813	Molecular_Weight	96.13
54467044	Undefined_Atom_Stereo_Count	1
27119	Undefined_Atom_Stereo_Count	0
9962735	Total_Formal_Charge	0
9918460	Exact_Mass	747.47822867
264090	TPSA	51.8
37864	Defined_Atom_Stereo_Count	0
27566	Exact_Mass	252.126263138
12372	Total_Formal_Charge	0
22508510	Non-hydrogen_Atom_Count	8
5092	Rotatable_Bond_Count	4
97617	Rotatable_Bond_Count	0
16158473	Hydrogen_Bond_Donor_Count	52
135673987	Mono_Isotopic_Weight	270.06090343
33934	Non-hydrogen_Atom_Count	28
20382009	Defined_Atom_Stereo_Count	0
104974	Mono_Isotopic_Weight	551.2106328
124894599	Hydrogen_Bond_Donor_Count	7
12301054	TPSA	20.2
12399560	XLogP3-AA	3.1
165993043	Isotope_Atom_Count	0
10250	Rotatable_Bond_Count	0
91172822	Undefined_Bond_Stereo_Count	2
87359450	Defined_Bond_Stereo_Count	0
71713793	Hydrogen_Bond_Acceptor_Count	4
44310651	Molecular_Weight	423.5
72200670	Undefined_Bond_Stereo_Count	0
46228852	TPSA	135
21619272	Defined_Atom_Stereo_Count	0
5281614	Undefined_Bond_Stereo_Count	0
3213	Structure_Complexity	342
87962	Undefined_Atom_Stereo_Count	0
737804	Defined_Bond_Stereo_Count	0
854150	Isotope_Atom_Count	0
16492	Isotope_Atom_Count	0
71902	Defined_Atom_Stereo_Count	5
115149	Exact_Mass	586.16864101
54270986	Molecular_Weight	340.3
16976	Hydrogen_Bond_Acceptor_Count	3
5284452	Exact_Mass	338.06378202
84398	Rotatable_Bond_Count	2
64964	Hydrogen_Bond_Donor_Count	4
106951	Defined_Bond_Stereo_Count	0
5284441	Undefined_Atom_Stereo_Count	1
4872633	Isotope_Atom_Count	0
131954773	Defined_Atom_Stereo_Count	6
143694905	Undefined_Bond_Stereo_Count	0
68466	Undefined_Atom_Stereo_Count	0
64054	Defined_Bond_Stereo_Count	0
7617	Covalent_Unit_Count	1
16401027	Total_Formal_Charge	0
12559	Hydrogen_Bond_Acceptor_Count	16
33176	TPSA	68.5
12891182	Rotatable_Bond_Count	0
57441994	Undefined_Atom_Stereo_Count	0
4205687	Undefined_Atom_Stereo_Count	0
56619338	Molecular_Weight	170.08
10084648	Total_Formal_Charge	0
37910	Defined_Bond_Stereo_Count	0
88273595	Hydrogen_Bond_Donor_Count	1
11480401	Undefined_Bond_Stereo_Count	0
73895	Hydrogen_Bond_Acceptor_Count	3
69452237	Structure_Complexity	503
61534	Mono_Isotopic_Weight	91.940821
250074	Mono_Isotopic_Weight	166.062994177
45488121	Exact_Mass	422.15543222
46171	Tautomer_Count	1
443379	Structure_Complexity	490
5462222	Non-hydrogen_Atom_Count	1
20041648	Hydrogen_Bond_Donor_Count	1
44119980	Undefined_Bond_Stereo_Count	0
165491	Mono_Isotopic_Weight	665.10096317
2754342	Hydrogen_Bond_Acceptor_Count	2
716315	Structure_Complexity	187
87140770	Total_Formal_Charge	0
71309905	Covalent_Unit_Count	1
5311057	Undefined_Atom_Stereo_Count	0
152986859	Covalent_Unit_Count	1
12820038	Undefined_Atom_Stereo_Count	0
1302	Mono_Isotopic_Weight	230.094294304
10008	Covalent_Unit_Count	1
70399533	Molecular_Weight	112.13
82343	Mono_Isotopic_Weight	405.245649993
2997881	Isotope_Atom_Count	0
11463	Undefined_Atom_Stereo_Count	0
18727537	Hydrogen_Bond_Donor_Count	0
126011	Mono_Isotopic_Weight	390.16785316
12302681	Hydrogen_Bond_Acceptor_Count	11
13176	Exact_Mass	92.062600255
12402550	Hydrogen_Bond_Acceptor_Count	1
194	Undefined_Bond_Stereo_Count	0
447634	Isotope_Atom_Count	0
20695916	Structure_Complexity	70.8
10665	Undefined_Bond_Stereo_Count	0
57396149	Rotatable_Bond_Count	7
9555	Non-hydrogen_Atom_Count	31
178024	Defined_Bond_Stereo_Count	0
59834563	Mono_Isotopic_Weight	372.16985928
57474	Defined_Bond_Stereo_Count	0
164946793	Rotatable_Bond_Count	24
9964076	Defined_Bond_Stereo_Count	0
548185	Non-hydrogen_Atom_Count	8
8386	Undefined_Bond_Stereo_Count	0
68986	Defined_Atom_Stereo_Count	0
5287	Mono_Isotopic_Weight	464.29265975
23519852	Undefined_Bond_Stereo_Count	0
6427135	Non-hydrogen_Atom_Count	11
7370	Covalent_Unit_Count	1
123133975	Defined_Atom_Stereo_Count	11
21067	Isotope_Atom_Count	0
285666	Hydrogen_Bond_Donor_Count	3
12977	TPSA	38.7
534204	Non-hydrogen_Atom_Count	7
398721	Non-hydrogen_Atom_Count	20
79005	Hydrogen_Bond_Acceptor_Count	1
8528	Exact_Mass	335.17327290
44590445	Mono_Isotopic_Weight	466.19040013
4923	Total_Formal_Charge	0
13356643	XLogP3-AA	0.4
134695353	Non-hydrogen_Atom_Count	12
139044268	Non-hydrogen_Atom_Count	24
114612	Undefined_Atom_Stereo_Count	0
17845026	Total_Formal_Charge	0
12968	Undefined_Bond_Stereo_Count	0
4224798	Isotope_Atom_Count	0
545093	Exact_Mass	86.073164938
93858	Defined_Atom_Stereo_Count	0
40469377	Non-hydrogen_Atom_Count	29
12735	Isotope_Atom_Count	0
90730816	Mono_Isotopic_Weight	83.073499291
101010	Exact_Mass	160.09218630
528407	TPSA	26
124744577	XLogP3-AA	2.1
15293	Defined_Bond_Stereo_Count	0
44310710	Hydrogen_Bond_Donor_Count	0
96807	Hydrogen_Bond_Donor_Count	1
6950273	Covalent_Unit_Count	1
14025	Mono_Isotopic_Weight	280.13421502
108068	XLogP3-AA	2.3
71117	Undefined_Atom_Stereo_Count	0
6605255	Mono_Isotopic_Weight	424.2680412
19892314	Defined_Bond_Stereo_Count	0
2734931	XLogP3-AA	1.1
204109	Mono_Isotopic_Weight	381.08349271
17805735	Defined_Atom_Stereo_Count	0
456718	Undefined_Bond_Stereo_Count	0
3058746	Molecular_Weight	341.8
92463	XLogP3-AA	2.1
23675341	Molecular_Weight	477.5
284	Isotope_Atom_Count	0
23663403	Structure_Complexity	525
1553	Total_Formal_Charge	0
26310	Hydrogen_Bond_Donor_Count	0
6409633	Mono_Isotopic_Weight	101.047678466
16132416	Total_Formal_Charge	0
81472	Undefined_Atom_Stereo_Count	0
859897	Undefined_Bond_Stereo_Count	0
25130088	Mono_Isotopic_Weight	462.27432435
9909054	Isotope_Atom_Count	0
68081017	TPSA	20.2
6529	Molecular_Weight	368.4
71300392	Structure_Complexity	453
3589	Rotatable_Bond_Count	0
139033724	Defined_Atom_Stereo_Count	31
22273548	Covalent_Unit_Count	1
1848	Covalent_Unit_Count	1
78318119	Undefined_Bond_Stereo_Count	0
2653	Isotope_Atom_Count	0
20378091	Isotope_Atom_Count	0
3400822	Mono_Isotopic_Weight	172.128341792
717	Hydrogen_Bond_Acceptor_Count	9
282	Covalent_Unit_Count	1
71439018	Covalent_Unit_Count	4
23680530	Hydrogen_Bond_Donor_Count	2
198707	Defined_Bond_Stereo_Count	0
159968	Defined_Atom_Stereo_Count	0
101808860	XLogP3-AA	0.3
11237963	Exact_Mass	535.38862582
8296	Undefined_Bond_Stereo_Count	0
24763202	Hydrogen_Bond_Donor_Count	0
6451325	Hydrogen_Bond_Donor_Count	5
43517	Non-hydrogen_Atom_Count	21
15370743	Isotope_Atom_Count	0
718618	Hydrogen_Bond_Acceptor_Count	4
5370664	Rotatable_Bond_Count	3
102106219	Hydrogen_Bond_Acceptor_Count	4
91561252	Mono_Isotopic_Weight	112.088815002
73386890	Total_Formal_Charge	0
6509979	Molecular_Weight	810.4
10917	Hydrogen_Bond_Donor_Count	1
21987892	Molecular_Weight	206.35
11640298	Hydrogen_Bond_Acceptor_Count	5
19823	Hydrogen_Bond_Acceptor_Count	7
135018	Structure_Complexity	460
123880197	Non-hydrogen_Atom_Count	8
7055551	XLogP3-AA	2.9
161929	Hydrogen_Bond_Acceptor_Count	1
656440	Structure_Complexity	579
141174518	Undefined_Bond_Stereo_Count	0
6456014	Non-hydrogen_Atom_Count	32
153519852	Undefined_Atom_Stereo_Count	1
356	Molecular_Weight	114.23
512984	Hydrogen_Bond_Acceptor_Count	5
38642	Mono_Isotopic_Weight	487.28349205
214321	Isotope_Atom_Count	0
11640298	Isotope_Atom_Count	0
79089	Mono_Isotopic_Weight	112.03467143
78579	Defined_Atom_Stereo_Count	0
71988	Isotope_Atom_Count	0
130122663	Mono_Isotopic_Weight	109.052763847
12701401	Exact_Mass	112.088815002
69260946	XLogP3-AA	3.6
78916	Non-hydrogen_Atom_Count	30
61828	Mono_Isotopic_Weight	239.93012
6821	Mono_Isotopic_Weight	255.08954328
79691	Defined_Bond_Stereo_Count	0
45359105	TPSA	62.3
150718	Defined_Atom_Stereo_Count	0
135409452	Hydrogen_Bond_Acceptor_Count	3
1517	Non-hydrogen_Atom_Count	38
153976605	TPSA	49.3
23667636	Isotope_Atom_Count	1
35785	Hydrogen_Bond_Donor_Count	0
17986197	Defined_Bond_Stereo_Count	0
138115739	Covalent_Unit_Count	4
133478	Isotope_Atom_Count	0
50878565	Molecular_Weight	452.5
86592	Non-hydrogen_Atom_Count	10
10525838	Structure_Complexity	617
4973027	Defined_Bond_Stereo_Count	0
11078406	Defined_Bond_Stereo_Count	0
132421	Hydrogen_Bond_Acceptor_Count	3
11149677	Covalent_Unit_Count	3
21998472	Non-hydrogen_Atom_Count	15
87293	Molecular_Weight	193.24
9957535	TPSA	79.9
15001198	Undefined_Bond_Stereo_Count	0
25115964	Rotatable_Bond_Count	5
60196431	Non-hydrogen_Atom_Count	23
70333	Defined_Atom_Stereo_Count	0
54929	Total_Formal_Charge	0
18998026	TPSA	66.2
118892880	Undefined_Atom_Stereo_Count	0
74616	Isotope_Atom_Count	0
55290327	Covalent_Unit_Count	1
668390	XLogP3-AA	2
138471783	Rotatable_Bond_Count	3
119828	Hydrogen_Bond_Acceptor_Count	5
9843089	Hydrogen_Bond_Acceptor_Count	8
475	Non-hydrogen_Atom_Count	15
155487763	Molecular_Weight	1027.2
129631779	Hydrogen_Bond_Donor_Count	4
3000668	Molecular_Weight	305.4
31247	Mono_Isotopic_Weight	114.068079557
5194	Isotope_Atom_Count	0
63992	Mono_Isotopic_Weight	496.1699750
3082393	Rotatable_Bond_Count	10
12400354	Structure_Complexity	103
520190	Molecular_Weight	290.5
3015167	Non-hydrogen_Atom_Count	34
306862	XLogP3-AA	5.7
52921770	Hydrogen_Bond_Acceptor_Count	2
10351658	Defined_Atom_Stereo_Count	0
7555	Covalent_Unit_Count	1
22902239	Rotatable_Bond_Count	0
5225	Defined_Atom_Stereo_Count	0
54126628	Defined_Atom_Stereo_Count	0
60196435	Molecular_Weight	419.4
8477	TPSA	100
42601552	Non-hydrogen_Atom_Count	57
401234	Total_Formal_Charge	0
19985227	Hydrogen_Bond_Donor_Count	1
9865223	Total_Formal_Charge	0
589	Molecular_Weight	143.18
81668	Defined_Bond_Stereo_Count	0
14782	TPSA	17.1
109014	Mono_Isotopic_Weight	170.084398327
18779923	XLogP3	0.3
11979956	TPSA	719
13519	Covalent_Unit_Count	1
22762494	Structure_Complexity	40.8
5746387	Defined_Bond_Stereo_Count	0
57978852	Total_Formal_Charge	0
162639137	Hydrogen_Bond_Acceptor_Count	8
133635911	Hydrogen_Bond_Acceptor_Count	17
66634681	Rotatable_Bond_Count	1
16219471	Non-hydrogen_Atom_Count	22
314533	Covalent_Unit_Count	1
136836	Structure_Complexity	63.1
29359	Total_Formal_Charge	0
93125	Isotope_Atom_Count	0
55289472	Undefined_Atom_Stereo_Count	0
539061	Isotope_Atom_Count	0
31508	Rotatable_Bond_Count	2
110968	Structure_Complexity	52.5
57402652	Exact_Mass	349.0339557
19741	XLogP3	0.8
9425	Undefined_Bond_Stereo_Count	0
6215	Total_Formal_Charge	0
123618563	Mono_Isotopic_Weight	108.093900383
2734236	Structure_Complexity	93.3
129508	Non-hydrogen_Atom_Count	26
9855476	Undefined_Atom_Stereo_Count	0
85979179	XLogP3-AA	0.7
25209	Defined_Bond_Stereo_Count	0
7537	Rotatable_Bond_Count	0
9086	Mono_Isotopic_Weight	75.068413911
596	Exact_Mass	243.08552052
219071	Rotatable_Bond_Count	6
91528	TPSA	80.9
19044091	Non-hydrogen_Atom_Count	7
7714	Molecular_Weight	184.27
90488786	Hydrogen_Bond_Acceptor_Count	16
122222714	Undefined_Atom_Stereo_Count	2
37142	Non-hydrogen_Atom_Count	20
316249	Defined_Atom_Stereo_Count	0
76714	XLogP3-AA	1
12319	Hydrogen_Bond_Acceptor_Count	1
234237	Undefined_Atom_Stereo_Count	1
10046162	Undefined_Atom_Stereo_Count	0
13018787	TPSA	93
15174929	Exact_Mass	404.19473662
57406911	Total_Formal_Charge	0
20626699	Undefined_Atom_Stereo_Count	0
446596	Rotatable_Bond_Count	17
15570	Rotatable_Bond_Count	0
71152	Covalent_Unit_Count	1
54688694	Isotope_Atom_Count	0
139637653	Non-hydrogen_Atom_Count	7
104143	TPSA	99
18314506	Undefined_Bond_Stereo_Count	0
2021	Undefined_Bond_Stereo_Count	0
54377545	TPSA	21.6
21513403	Undefined_Bond_Stereo_Count	0
95978	TPSA	26.3
2408	Exact_Mass	312.0665554
10197646	Covalent_Unit_Count	1
27304	TPSA	135
12602	XLogP3-AA	1.5
274418	Undefined_Atom_Stereo_Count	2
64758	Isotope_Atom_Count	0
88908088	Hydrogen_Bond_Donor_Count	0
21998248	Structure_Complexity	212
28308	Isotope_Atom_Count	0
130025741	TPSA	17.1
21908889	Exact_Mass	121.03750770
9925	Tautomer_Count	2
53846423	Hydrogen_Bond_Donor_Count	3
25137854	Mono_Isotopic_Weight	375.1965069
16218636	Undefined_Atom_Stereo_Count	0
25512	Covalent_Unit_Count	1
91473751	Undefined_Bond_Stereo_Count	0
236212	XLogP3-AA	1
11309477	TPSA	9.2
17171354	Exact_Mass	114.079312947
61325	Structure_Complexity	193
91267	Isotope_Atom_Count	0
666418	Exact_Mass	180.07211956
72200877	Rotatable_Bond_Count	7
929262	Rotatable_Bond_Count	0
8330	Rotatable_Bond_Count	0
74339141	Defined_Bond_Stereo_Count	0
53425533	TPSA	52.3
155113	Mono_Isotopic_Weight	259.878782
667684	Structure_Complexity	247
935	Hydrogen_Bond_Donor_Count	0
536124	Structure_Complexity	111
87401	Exact_Mass	351.87688
683214	XLogP3-AA	2.1
16395512	Hydrogen_Bond_Acceptor_Count	16
32283	Isotope_Atom_Count	0
10391	Tautomer_Count	2
95162410	Total_Formal_Charge	0
62329	Non-hydrogen_Atom_Count	21
10772937	Tautomer_Count	1
17549	Hydrogen_Bond_Donor_Count	2
400189	Undefined_Atom_Stereo_Count	1
11970126	Total_Formal_Charge	0
86083878	Undefined_Bond_Stereo_Count	0
222757	TPSA	46.5
80009	Non-hydrogen_Atom_Count	7
44562738	Undefined_Atom_Stereo_Count	0
46934729	Defined_Atom_Stereo_Count	0
53315818	Hydrogen_Bond_Acceptor_Count	3
94527	Isotope_Atom_Count	0
135438601	Tautomer_Count	9
80900	Covalent_Unit_Count	1
70484261	Defined_Atom_Stereo_Count	0
6453608	Tautomer_Count	1
129827902	Covalent_Unit_Count	8
129629387	Total_Formal_Charge	0
8054	Hydrogen_Bond_Donor_Count	0
56841603	Total_Formal_Charge	0
137967119	Exact_Mass	208.03476767
71587637	Hydrogen_Bond_Acceptor_Count	4
58014	Molecular_Weight	432.4
89418505	Undefined_Bond_Stereo_Count	0
1382059	Rotatable_Bond_Count	1
6426773	Undefined_Bond_Stereo_Count	0
9689	Covalent_Unit_Count	1
91041862	Isotope_Atom_Count	0
11095	Hydrogen_Bond_Acceptor_Count	6
10391	Rotatable_Bond_Count	4
48754	Total_Formal_Charge	0
18150	Molecular_Weight	120.58
98491	Non-hydrogen_Atom_Count	17
516910	Isotope_Atom_Count	0
4912932	Covalent_Unit_Count	1
118360420	Total_Formal_Charge	0
88794	Total_Formal_Charge	0
3792939	Rotatable_Bond_Count	0
657378	Total_Formal_Charge	0
9049	TPSA	80
22386	Mono_Isotopic_Weight	88.088815002
139585999	TPSA	115
10310138	Isotope_Atom_Count	0
86751	Exact_Mass	158.167065321
6866	TPSA	12.9
11108673	Structure_Complexity	431
5152	Total_Formal_Charge	0
74231	Defined_Bond_Stereo_Count	0
1548885	Covalent_Unit_Count	1
1235	Undefined_Bond_Stereo_Count	0
12420192	Total_Formal_Charge	0
53465918	Molecular_Weight	410.5
3037233	Non-hydrogen_Atom_Count	32
71333816	Isotope_Atom_Count	0
3054	TPSA	40.5
7843	Total_Formal_Charge	0
908617	Undefined_Bond_Stereo_Count	0
10256440	Hydrogen_Bond_Acceptor_Count	9
17348	Rotatable_Bond_Count	1
11953897	Molecular_Weight	1323.2
447956	XLogP3-AA	1.4
11481426	Defined_Bond_Stereo_Count	0
25231140	Total_Formal_Charge	0
27689	Isotope_Atom_Count	0
6603836	Molecular_Weight	523.7
9864154	Hydrogen_Bond_Acceptor_Count	6
101671175	Defined_Atom_Stereo_Count	6
135860757	TPSA	76.5
703047	Undefined_Atom_Stereo_Count	0
80230	Molecular_Weight	160.14
3721	Hydrogen_Bond_Donor_Count	5
129629392	Total_Formal_Charge	0
163201191	Defined_Atom_Stereo_Count	0
86653211	Exact_Mass	302.1577414
37419	Hydrogen_Bond_Donor_Count	1
136490	Rotatable_Bond_Count	2
15752282	Mono_Isotopic_Weight	111.068413911
34023	XLogP3	1.2
636908	Mono_Isotopic_Weight	338.06378202
12260	Undefined_Bond_Stereo_Count	0
52940974	Molecular_Weight	403.4
10953443	Undefined_Atom_Stereo_Count	0
56928166	Non-hydrogen_Atom_Count	145
17825297	Defined_Bond_Stereo_Count	0
134687950	Non-hydrogen_Atom_Count	35
79632	Non-hydrogen_Atom_Count	47
23663977	Hydrogen_Bond_Donor_Count	2
3635	TPSA	77.9
14809442	Structure_Complexity	102
9595287	Hydrogen_Bond_Donor_Count	1
12161	Molecular_Weight	118.18
164675904	Mono_Isotopic_Weight	113.047678466
81869	Undefined_Bond_Stereo_Count	0
68135	Defined_Atom_Stereo_Count	0
6420023	Hydrogen_Bond_Acceptor_Count	26
5011	Covalent_Unit_Count	1
23724510	Total_Formal_Charge	0
118705485	Structure_Complexity	426
90427261	Rotatable_Bond_Count	2
676041	Undefined_Atom_Stereo_Count	0
68013637	Covalent_Unit_Count	1
537387	Rotatable_Bond_Count	2
22836	Mono_Isotopic_Weight	368.2019266
524646	Isotope_Atom_Count	0
56682220	Non-hydrogen_Atom_Count	33
15995	Hydrogen_Bond_Donor_Count	0
72430	Covalent_Unit_Count	1
1096	Defined_Atom_Stereo_Count	0
5148195	Total_Formal_Charge	0
3000241	Isotope_Atom_Count	0
77922	Exact_Mass	117.078978594
74484	Rotatable_Bond_Count	1
10917	Covalent_Unit_Count	1
68841	Exact_Mass	185.00892397
1030	Defined_Atom_Stereo_Count	0
10292887	Undefined_Atom_Stereo_Count	0
14535398	Molecular_Weight	151.97
489518	Structure_Complexity	381
10091748	Molecular_Weight	389.8
51030901	Molecular_Weight	446.4
11592	Undefined_Bond_Stereo_Count	0
21954272	Total_Formal_Charge	0
445344	Mono_Isotopic_Weight	893.21967532
71245	Undefined_Atom_Stereo_Count	0
6578	Isotope_Atom_Count	0
59059060	Undefined_Bond_Stereo_Count	0
1551136	Undefined_Bond_Stereo_Count	0
118984445	Isotope_Atom_Count	0
5940	Exact_Mass	280.90199
3824520	Non-hydrogen_Atom_Count	8
107670	Structure_Complexity	1030
6918178	Hydrogen_Bond_Acceptor_Count	7
14862984	Undefined_Bond_Stereo_Count	0
15052414	Defined_Atom_Stereo_Count	7
37134563	Defined_Atom_Stereo_Count	0
10429254	Molecular_Weight	370.5
71724	Hydrogen_Bond_Acceptor_Count	8
157396	Covalent_Unit_Count	1
14079973	Undefined_Atom_Stereo_Count	1
4019563	Mono_Isotopic_Weight	419.97220756
5311454	XLogP3	3.6
104896	Tautomer_Count	1
13969	Tautomer_Count	8
123159	Exact_Mass	77.0391251595
124905	Defined_Bond_Stereo_Count	0
11768576	Tautomer_Count	3
139292184	TPSA	310
87355672	TPSA	64.2
825229	Isotope_Atom_Count	0
2641	Non-hydrogen_Atom_Count	45
80293	Undefined_Atom_Stereo_Count	0
57217341	Total_Formal_Charge	0
14297260	Rotatable_Bond_Count	0
8561	Tautomer_Count	1
38034	Non-hydrogen_Atom_Count	15
403821	Mono_Isotopic_Weight	301.08447515
11954310	Mono_Isotopic_Weight	452.32904526
7607	XLogP3	4.2
102959	Undefined_Bond_Stereo_Count	0
5365247	Undefined_Atom_Stereo_Count	0
4510	Defined_Bond_Stereo_Count	0
1547	Defined_Atom_Stereo_Count	0
19437571	Rotatable_Bond_Count	3
16219127	Hydrogen_Bond_Acceptor_Count	6
79946	Defined_Atom_Stereo_Count	0
96665	Covalent_Unit_Count	1
59064	Undefined_Bond_Stereo_Count	0
123642	Tautomer_Count	1
10618	Tautomer_Count	1
14976739	Hydrogen_Bond_Donor_Count	1
60873	XLogP3-AA	3.6
6953	TPSA	138
10219379	Rotatable_Bond_Count	0
667493	Undefined_Bond_Stereo_Count	0
126737575	Defined_Bond_Stereo_Count	0
6917656	Tautomer_Count	9
56984356	Mono_Isotopic_Weight	102.031694049
21428	XLogP3	2.1
153976605	Hydrogen_Bond_Acceptor_Count	2
57322830	Hydrogen_Bond_Acceptor_Count	3
632835	XLogP3-AA	2.7
70034662	Isotope_Atom_Count	0
107950	Rotatable_Bond_Count	1
11400730	Rotatable_Bond_Count	3
62274	Structure_Complexity	270
23381756	Undefined_Atom_Stereo_Count	0
71249967	Hydrogen_Bond_Donor_Count	5
75654	Undefined_Bond_Stereo_Count	0
13285795	Mono_Isotopic_Weight	85.052763847
13487	Undefined_Atom_Stereo_Count	0
48670	Undefined_Atom_Stereo_Count	0
15666	Hydrogen_Bond_Acceptor_Count	2
170286	Undefined_Bond_Stereo_Count	0
2758725	Undefined_Bond_Stereo_Count	0
214038	Exact_Mass	496.2623340
535634	Mono_Isotopic_Weight	81.057849228
10050397	Covalent_Unit_Count	1
35766	TPSA	272
688442	Defined_Bond_Stereo_Count	0
12248	Total_Formal_Charge	0
277767	TPSA	54.4
153970	TPSA	135
9838899	Total_Formal_Charge	0
12310714	Mono_Isotopic_Weight	387.13517331
23238238	TPSA	168
99486	TPSA	26.3
968645	Non-hydrogen_Atom_Count	18
5352135	Total_Formal_Charge	0
188802	Non-hydrogen_Atom_Count	22
5458585	Molecular_Weight	1202.6
135430323	Structure_Complexity	893
85237	Hydrogen_Bond_Donor_Count	1
522621	Hydrogen_Bond_Acceptor_Count	0
140557163	Undefined_Atom_Stereo_Count	2
57057513	TPSA	37.3
83788	Covalent_Unit_Count	1
7168	TPSA	29.1
23704143	Undefined_Atom_Stereo_Count	0
11008198	Defined_Atom_Stereo_Count	0
31269	Covalent_Unit_Count	1
16249	Exact_Mass	144.04225873
72199624	Molecular_Weight	489.0
123673485	Covalent_Unit_Count	1
52931256	Defined_Atom_Stereo_Count	5
137808	Rotatable_Bond_Count	0
140985566	Hydrogen_Bond_Acceptor_Count	3
452110	Undefined_Atom_Stereo_Count	0
53736293	Rotatable_Bond_Count	1
44143571	Non-hydrogen_Atom_Count	31
12298391	Structure_Complexity	122
90471068	Mono_Isotopic_Weight	376.20250208
3791919	Hydrogen_Bond_Acceptor_Count	2
16129759	Undefined_Bond_Stereo_Count	0
82336	Isotope_Atom_Count	0
71679	Total_Formal_Charge	0
6976	Isotope_Atom_Count	0
152780129	XLogP3-AA	1.1
55300789	Undefined_Bond_Stereo_Count	0
19662	Isotope_Atom_Count	0
3898924	Mono_Isotopic_Weight	102.068079557
44477	Covalent_Unit_Count	1
21405	Total_Formal_Charge	0
27661	Exact_Mass	191.04298701
25715	Hydrogen_Bond_Acceptor_Count	9
44338967	Total_Formal_Charge	0
13848133	Rotatable_Bond_Count	1
616573	Mono_Isotopic_Weight	235.110947427
13521831	Exact_Mass	99.068413911
21602045	Isotope_Atom_Count	0
476	Exact_Mass	228.03988975
11963944	Hydrogen_Bond_Acceptor_Count	8
11174789	Isotope_Atom_Count	0
139338	Exact_Mass	64.0313001276
12367600	XLogP3-AA	0.4
118855887	Undefined_Atom_Stereo_Count	1
60196320	TPSA	44.5
5666	TPSA	39.7
68289914	Undefined_Atom_Stereo_Count	0
71307087	Undefined_Atom_Stereo_Count	0
2973	Structure_Complexity	739
3572	Isotope_Atom_Count	0
86276476	Hydrogen_Bond_Acceptor_Count	13
54245381	Exact_Mass	118.099379685
135678081	Isotope_Atom_Count	0
23691965	Hydrogen_Bond_Acceptor_Count	3
66141	Undefined_Bond_Stereo_Count	0
13039538	Rotatable_Bond_Count	0
6539026	Hydrogen_Bond_Donor_Count	2
14923671	Mono_Isotopic_Weight	112.088815002
61828	Undefined_Bond_Stereo_Count	0
8067	Hydrogen_Bond_Acceptor_Count	1
126704391	Exact_Mass	180.06338810
118087148	Rotatable_Bond_Count	1
48362	Hydrogen_Bond_Acceptor_Count	1
3085267	Defined_Atom_Stereo_Count	0
12648409	Hydrogen_Bond_Donor_Count	1
9547928	XLogP3-AA	3.2
53983207	Hydrogen_Bond_Donor_Count	0
93083	Mono_Isotopic_Weight	84.068748264
68478	Hydrogen_Bond_Acceptor_Count	2
14895678	Defined_Bond_Stereo_Count	0
36750	Mono_Isotopic_Weight	341.19909372
5748152	Isotope_Atom_Count	0
11122050	Rotatable_Bond_Count	3
19962876	Undefined_Atom_Stereo_Count	0
190816	TPSA	83.6
3036824	Structure_Complexity	1740
143034	Hydrogen_Bond_Donor_Count	0
11154925	Defined_Bond_Stereo_Count	0
5516	Molecular_Weight	406.0
20848918	Mono_Isotopic_Weight	384.91269092
15526206	Undefined_Atom_Stereo_Count	0
21558785	Defined_Bond_Stereo_Count	0
664136	Rotatable_Bond_Count	4
19884207	Mono_Isotopic_Weight	99.043261792
121249	Rotatable_Bond_Count	4
43986	TPSA	26.8
55290041	Molecular_Weight	115.13
53436345	Total_Formal_Charge	0
16664362	Defined_Atom_Stereo_Count	0
71512	Molecular_Weight	484.16
122004	Exact_Mass	125.058911855
67444	Undefined_Atom_Stereo_Count	0
97638	Structure_Complexity	114
66692781	Molecular_Weight	277.4
11241863	Undefined_Bond_Stereo_Count	0
59270	Hydrogen_Bond_Donor_Count	1
447377	Total_Formal_Charge	0
54712717	Isotope_Atom_Count	0
136572	Covalent_Unit_Count	1
75908	TPSA	26
5170	Defined_Bond_Stereo_Count	0
121903	Isotope_Atom_Count	0
154417	Tautomer_Count	1
72416	Total_Formal_Charge	0
40472	Molecular_Weight	395.3
17149	Rotatable_Bond_Count	0
71583271	Undefined_Bond_Stereo_Count	0
11719003	Rotatable_Bond_Count	7
112239	Mono_Isotopic_Weight	242.224580195
11957547	Defined_Bond_Stereo_Count	0
88762442	TPSA	58.9
97205	Structure_Complexity	273
20232381	Undefined_Bond_Stereo_Count	0
71112644	Covalent_Unit_Count	1
54605501	Structure_Complexity	981
156587369	Total_Formal_Charge	0
7655	Rotatable_Bond_Count	5
5281099	Exact_Mass	665.30474055
4144353	Undefined_Atom_Stereo_Count	0
8543	Tautomer_Count	9
14532580	Non-hydrogen_Atom_Count	8
2097	Undefined_Bond_Stereo_Count	0
978766	Rotatable_Bond_Count	5
236212	Undefined_Bond_Stereo_Count	0
20607916	Mono_Isotopic_Weight	248.14124450
104276798	Structure_Complexity	81.3
53316474	XLogP3-AA	2.8
94744	Covalent_Unit_Count	1
1387	XLogP3-AA	0.6
54736666	Exact_Mass	934.33559865
152274	Defined_Atom_Stereo_Count	0
27854	Hydrogen_Bond_Donor_Count	0
129852933	Mono_Isotopic_Weight	274.08010079
34697	Total_Formal_Charge	0
19957	TPSA	17.1
11634645	Structure_Complexity	643
47328	Defined_Bond_Stereo_Count	0
34001	TPSA	89.6
60196366	Mono_Isotopic_Weight	539.93301
14042	Rotatable_Bond_Count	3
518	Mono_Isotopic_Weight	894.31709614
102004403	Molecular_Weight	804.9
65376195	Defined_Bond_Stereo_Count	0
2723872	Total_Formal_Charge	0
151348	Defined_Atom_Stereo_Count	0
4042	XLogP3	4.1
31068	Mono_Isotopic_Weight	365.0585488
99564	Tautomer_Count	1
135564890	Hydrogen_Bond_Acceptor_Count	11
132420	TPSA	70
27697	Exact_Mass	201.151749610
133613144	Hydrogen_Bond_Donor_Count	3
12599713	Hydrogen_Bond_Donor_Count	1
11007841	Defined_Atom_Stereo_Count	0
14263148	Defined_Bond_Stereo_Count	0
656495	Hydrogen_Bond_Donor_Count	7
25072741	Exact_Mass	431.14567599
26350	Undefined_Bond_Stereo_Count	0
16760703	TPSA	40.1
91420197	Undefined_Bond_Stereo_Count	0
6696	Total_Formal_Charge	0
62810	Covalent_Unit_Count	1
89252	Covalent_Unit_Count	1
16051955	Rotatable_Bond_Count	13
145640699	Hydrogen_Bond_Acceptor_Count	2
123885601	Structure_Complexity	92.6
12711588	Undefined_Bond_Stereo_Count	0
57392503	Molecular_Weight	403.6
24848788	Defined_Atom_Stereo_Count	0
12642447	Non-hydrogen_Atom_Count	8
65174649	Molecular_Weight	112.17
44249711	Isotope_Atom_Count	0
4369502	Defined_Bond_Stereo_Count	0
94684	Hydrogen_Bond_Acceptor_Count	1
27918	Mono_Isotopic_Weight	274.08711472
6299	Mono_Isotopic_Weight	404.413049667
141603887	Undefined_Bond_Stereo_Count	0
6026790	Structure_Complexity	603
18353957	Mono_Isotopic_Weight	111.068413911
101601898	Molecular_Weight	304.4
17787659	Covalent_Unit_Count	1
40326	Rotatable_Bond_Count	7
25261	Tautomer_Count	1
14184222	TPSA	32.8
72679314	Defined_Bond_Stereo_Count	0
11747547	Exact_Mass	266.260965704
5284378	XLogP3-AA	0.3
99922	Rotatable_Bond_Count	3
136091	Rotatable_Bond_Count	0
74406	Structure_Complexity	147
13896532	Non-hydrogen_Atom_Count	8
83795	Molecular_Weight	128.17
12697736	Mono_Isotopic_Weight	102.068079557
11636326	Undefined_Bond_Stereo_Count	0
69014	Undefined_Atom_Stereo_Count	0
11503692	Rotatable_Bond_Count	7
135436538	Structure_Complexity	818
4736391	Exact_Mass	98.048012819
14453671	Hydrogen_Bond_Acceptor_Count	1
2998624	Isotope_Atom_Count	0
562634	Exact_Mass	289.11365002
43499891	Isotope_Atom_Count	0
611834	Hydrogen_Bond_Acceptor_Count	7
507806	Total_Formal_Charge	0
91031492	TPSA	59.3
32932	Defined_Atom_Stereo_Count	0
20187	Total_Formal_Charge	0
31353	Defined_Atom_Stereo_Count	0
18728	TPSA	0
80108693	Undefined_Atom_Stereo_Count	0
656609	Undefined_Bond_Stereo_Count	0
149164152	Mono_Isotopic_Weight	112.052429494
19571	Molecular_Weight	328.4
57031203	Defined_Atom_Stereo_Count	0
12323	Covalent_Unit_Count	1
10486817	Undefined_Atom_Stereo_Count	1
76469	Total_Formal_Charge	0
10634	Total_Formal_Charge	0
67678949	TPSA	18.5
75082	Non-hydrogen_Atom_Count	6
691156	Defined_Atom_Stereo_Count	0
1329	Exact_Mass	304.18992602
35525	Exact_Mass	166.110613074
64212	Rotatable_Bond_Count	3
5280953	XLogP3	3.6
29011	Non-hydrogen_Atom_Count	3
6420019	Hydrogen_Bond_Acceptor_Count	2
5702628	Rotatable_Bond_Count	2
98266	Mono_Isotopic_Weight	130.135765193
64369	Mono_Isotopic_Weight	195.162314293
6917976	Molecular_Weight	1079.3
5885	Molecular_Weight	743.4
61032	Undefined_Atom_Stereo_Count	0
5142	Rotatable_Bond_Count	1
19873782	Molecular_Weight	252.4
8287	Molecular_Weight	362.3
667483	Hydrogen_Bond_Acceptor_Count	3
68345	Covalent_Unit_Count	1
11983210	Undefined_Bond_Stereo_Count	0
44565798	XLogP3-AA	1.7
3889	Structure_Complexity	958
24480	Structure_Complexity	2.8
65332	Rotatable_Bond_Count	6
6331	TPSA	0
24360	Total_Formal_Charge	0
441073	TPSA	45.6
549240	Undefined_Bond_Stereo_Count	0
6560213	Non-hydrogen_Atom_Count	12
57345537	XLogP3-AA	1.6
145731381	TPSA	240
20975302	Rotatable_Bond_Count	1
39836	Rotatable_Bond_Count	7
146465392	Hydrogen_Bond_Donor_Count	0
163050675	Rotatable_Bond_Count	0
909	Defined_Bond_Stereo_Count	0
3957	XLogP3	5.2
20056682	Total_Formal_Charge	0
92907	Defined_Atom_Stereo_Count	1
154544	Defined_Atom_Stereo_Count	0
25202509	Non-hydrogen_Atom_Count	31
137031	Undefined_Atom_Stereo_Count	0
690730	Hydrogen_Bond_Donor_Count	1
6331630	Defined_Bond_Stereo_Count	0
79732	Covalent_Unit_Count	1
7991	Structure_Complexity	59.1
47519	Structure_Complexity	54
1274476	Exact_Mass	99.068413911
308141	Tautomer_Count	243
10313457	Hydrogen_Bond_Donor_Count	0
71343994	Undefined_Atom_Stereo_Count	1
311434	Molecular_Weight	311.72
103565751	Mono_Isotopic_Weight	116.083729621
296659	TPSA	20.2
18469777	Non-hydrogen_Atom_Count	7
730852	Defined_Bond_Stereo_Count	0
16454	Total_Formal_Charge	0
25072736	Non-hydrogen_Atom_Count	30
21680724	Defined_Atom_Stereo_Count	2
5299	Defined_Bond_Stereo_Count	0
19211	Exact_Mass	164.083729621
83872174	TPSA	53.2
91148	Exact_Mass	168.151415257
65057	Defined_Bond_Stereo_Count	0
67940	Tautomer_Count	1
10441658	Exact_Mass	105.078978594
9967	Undefined_Bond_Stereo_Count	0
13843	TPSA	50.1
13050	Defined_Atom_Stereo_Count	0
587	Structure_Complexity	271
58460047	Undefined_Bond_Stereo_Count	0
8407	Total_Formal_Charge	0
67643801	Defined_Bond_Stereo_Count	0
92758	Isotope_Atom_Count	0
24743471	Rotatable_Bond_Count	3
43082	Undefined_Atom_Stereo_Count	1
11338127	Non-hydrogen_Atom_Count	29
11178236	Hydrogen_Bond_Donor_Count	0
339206	Undefined_Atom_Stereo_Count	1
754780	Undefined_Atom_Stereo_Count	0
13246222	Defined_Bond_Stereo_Count	0
735940	Hydrogen_Bond_Acceptor_Count	2
9939627	Total_Formal_Charge	0
81047	Rotatable_Bond_Count	0
5324560	Non-hydrogen_Atom_Count	9
596593	XLogP3-AA	2
162839	Structure_Complexity	175
14263148	Defined_Atom_Stereo_Count	0
342681	Undefined_Atom_Stereo_Count	0
15037	Defined_Atom_Stereo_Count	0
4431056	Non-hydrogen_Atom_Count	8
8418	Mono_Isotopic_Weight	178.078250319
54586288	Undefined_Atom_Stereo_Count	0
31243	Undefined_Bond_Stereo_Count	0
78412	Tautomer_Count	1
136048918	Total_Formal_Charge	0
86179952	Non-hydrogen_Atom_Count	8
85805628	Structure_Complexity	122
23705	Undefined_Bond_Stereo_Count	0
498716	Hydrogen_Bond_Donor_Count	0
92389	Exact_Mass	264.0301698
77421667	Total_Formal_Charge	0
44272237	Structure_Complexity	1130
141295139	XLogP3-AA	0.7
177976	Mono_Isotopic_Weight	375.16818752
972025	Mono_Isotopic_Weight	272.12732577
60196405	Undefined_Bond_Stereo_Count	0
9282	Total_Formal_Charge	2
105039	Structure_Complexity	198
15830	Isotope_Atom_Count	0
11393	Defined_Bond_Stereo_Count	0
2317	Isotope_Atom_Count	0
21602045	Hydrogen_Bond_Donor_Count	2
1505	Total_Formal_Charge	1
12921774	Covalent_Unit_Count	1
129654479	Structure_Complexity	108
11083832	Molecular_Weight	96.09
149528181	Hydrogen_Bond_Acceptor_Count	2
4369579	Isotope_Atom_Count	0
40472	Isotope_Atom_Count	0
12905357	Structure_Complexity	861
49864532	Mono_Isotopic_Weight	343.1199879
12389638	Molecular_Weight	94.15
4180	Defined_Atom_Stereo_Count	0
11957587	Defined_Atom_Stereo_Count	20
141011968	Hydrogen_Bond_Donor_Count	0
17310	Hydrogen_Bond_Acceptor_Count	0
126547509	Hydrogen_Bond_Acceptor_Count	1
135487863	Defined_Bond_Stereo_Count	1
5288382	Defined_Atom_Stereo_Count	6
140999	Mono_Isotopic_Weight	85.089149355
69242	Hydrogen_Bond_Acceptor_Count	0
227541	Undefined_Atom_Stereo_Count	0
71301276	Total_Formal_Charge	0
642157	Defined_Atom_Stereo_Count	0
20202559	Isotope_Atom_Count	0
11416	Structure_Complexity	56.4
6972	Hydrogen_Bond_Acceptor_Count	3
12385064	Undefined_Bond_Stereo_Count	0
444503	Covalent_Unit_Count	1
57292	Molecular_Weight	288.85
57265913	Molecular_Weight	112.17
282001	Rotatable_Bond_Count	0
84682	Molecular_Weight	74.12
5481350	Isotope_Atom_Count	0
5280443	Mono_Isotopic_Weight	270.05282342
40931	Defined_Atom_Stereo_Count	0
81920	Structure_Complexity	166
12694695	Covalent_Unit_Count	1
6918543	Total_Formal_Charge	0
8011	Exact_Mass	71.037113783
909860	Exact_Mass	219.162314293
36688135	Defined_Bond_Stereo_Count	0
17903887	Defined_Bond_Stereo_Count	0
123070	Structure_Complexity	0
74886	Total_Formal_Charge	0
164333	Hydrogen_Bond_Donor_Count	1
1103	Exact_Mass	202.21574685
97842	Hydrogen_Bond_Donor_Count	0
53678703	Exact_Mass	112.052429494
15951485	Molecular_Weight	410.4
30291	TPSA	55.6
91662	Undefined_Atom_Stereo_Count	0
481709	Exact_Mass	300.0739936
18628727	Undefined_Bond_Stereo_Count	0
7507	Non-hydrogen_Atom_Count	8
129797457	Hydrogen_Bond_Donor_Count	1
96935	Exact_Mass	506.1963797
17499	Undefined_Bond_Stereo_Count	0
2771871	Hydrogen_Bond_Acceptor_Count	3
7646	Non-hydrogen_Atom_Count	13
79483	Rotatable_Bond_Count	1
12278591	Structure_Complexity	80.2
701718	Defined_Bond_Stereo_Count	0
6998	Covalent_Unit_Count	1
143339316	Rotatable_Bond_Count	1
74823	Rotatable_Bond_Count	4
4369579	Molecular_Weight	239.30
21679899	Hydrogen_Bond_Acceptor_Count	1
66678	Hydrogen_Bond_Donor_Count	1
130285	Covalent_Unit_Count	1
102618	Hydrogen_Bond_Acceptor_Count	1
8791	Defined_Bond_Stereo_Count	0
443151	Undefined_Atom_Stereo_Count	0
12218432	Undefined_Atom_Stereo_Count	0
523523	TPSA	0
74152	Hydrogen_Bond_Donor_Count	0
56631355	Non-hydrogen_Atom_Count	8
5493444	Molecular_Weight	551.8
21691039	Molecular_Weight	101.10
197839	Molecular_Weight	62.08
5352845	Undefined_Bond_Stereo_Count	0
67444	XLogP3	7
5327011	Defined_Bond_Stereo_Count	0
176170	Exact_Mass	249.00006
83478498	Structure_Complexity	84.1
14020433	Undefined_Atom_Stereo_Count	2
7169	Non-hydrogen_Atom_Count	15
54675758	Exact_Mass	426.14270105
143713444	Structure_Complexity	96
91770	TPSA	91.6
11432	Structure_Complexity	38.8
85944292	Isotope_Atom_Count	0
23663404	Exact_Mass	420.19126830
11571	Rotatable_Bond_Count	0
20708	Defined_Bond_Stereo_Count	0
15991574	Covalent_Unit_Count	1
89185	Covalent_Unit_Count	1
12550	Rotatable_Bond_Count	12
57400338	Non-hydrogen_Atom_Count	31
20277171	Molecular_Weight	125.21
21228	Total_Formal_Charge	0
6713443	XLogP3-AA	3.3
101348253	Molecular_Weight	192.26
13463260	Isotope_Atom_Count	0
22140765	Defined_Atom_Stereo_Count	0
84002	Structure_Complexity	335
9794126	Total_Formal_Charge	0
18311	Hydrogen_Bond_Donor_Count	0
34751	Molecular_Weight	457.4
53318409	Undefined_Atom_Stereo_Count	0
14517	Exact_Mass	121.032777294
66099	Defined_Bond_Stereo_Count	0
14230	Molecular_Weight	115.17
446915	Non-hydrogen_Atom_Count	66
121231162	Rotatable_Bond_Count	16
15182444	Undefined_Bond_Stereo_Count	0
5853	Tautomer_Count	1
67422305	TPSA	12
65115	Molecular_Weight	301.25
54525833	Undefined_Atom_Stereo_Count	2
6124212	XLogP3-AA	1.5
1305	Defined_Atom_Stereo_Count	0
71345	Structure_Complexity	446
24989869	Molecular_Weight	415.5
23290315	TPSA	27.6
71391	Mono_Isotopic_Weight	260.05321734
76958691	Mono_Isotopic_Weight	276.11100700
10969	Undefined_Atom_Stereo_Count	1
99472	Non-hydrogen_Atom_Count	23
146935695	XLogP3-AA	0.8
6443795	Tautomer_Count	4
57503849	Tautomer_Count	1
441276	Isotope_Atom_Count	0
83346	Defined_Bond_Stereo_Count	0
4059	XLogP3	1.4
70684314	Defined_Atom_Stereo_Count	0
135409642	XLogP3-AA	4.9
11968014	Structure_Complexity	418
25403	Defined_Atom_Stereo_Count	0
4506	XLogP3	2.2
5128449	Covalent_Unit_Count	1
69332601	Hydrogen_Bond_Acceptor_Count	3
101059324	Defined_Atom_Stereo_Count	0
8718	TPSA	34.1
23983765	XLogP3	2.6
8156	Hydrogen_Bond_Donor_Count	0
121232226	Structure_Complexity	169
9568613	Covalent_Unit_Count	3
9812414	Mono_Isotopic_Weight	594.98190558
10986200	Isotope_Atom_Count	0
74444	Exact_Mass	124.100048391
4144	Total_Formal_Charge	0
54752118	Hydrogen_Bond_Acceptor_Count	7
9802545	Hydrogen_Bond_Acceptor_Count	7
3083540	Tautomer_Count	1
41839	Structure_Complexity	449
68651	Non-hydrogen_Atom_Count	19
35775	Undefined_Bond_Stereo_Count	0
365938	Non-hydrogen_Atom_Count	28
10975460	Mono_Isotopic_Weight	116.047344113
17982851	Total_Formal_Charge	0
64709	Mono_Isotopic_Weight	467.0553988
71356052	Hydrogen_Bond_Donor_Count	1
151896	Covalent_Unit_Count	2
46213929	Mono_Isotopic_Weight	469.1793143
81	Undefined_Bond_Stereo_Count	0
443878	Molecular_Weight	475.6
225612	TPSA	98
117239	Undefined_Atom_Stereo_Count	1
39187	Undefined_Atom_Stereo_Count	1
8192	Undefined_Atom_Stereo_Count	0
10007	Exact_Mass	183.0814771
53738849	Molecular_Weight	112.09
5319880	Total_Formal_Charge	0
85289	Non-hydrogen_Atom_Count	40
20550156	Total_Formal_Charge	0
2393	Molecular_Weight	1159.2
86118188	Rotatable_Bond_Count	3
43986	Hydrogen_Bond_Donor_Count	0
87468080	Hydrogen_Bond_Donor_Count	0
11804893	Hydrogen_Bond_Acceptor_Count	2
16490	Undefined_Bond_Stereo_Count	0
714937	Undefined_Bond_Stereo_Count	0
8396	Structure_Complexity	149
21674229	Molecular_Weight	654.8
122662800	Molecular_Weight	114.15
23667546	Covalent_Unit_Count	2
774	Rotatable_Bond_Count	2
707	Non-hydrogen_Atom_Count	41
10459649	Undefined_Bond_Stereo_Count	0
122600	Total_Formal_Charge	0
7188	Non-hydrogen_Atom_Count	18
24864898	Rotatable_Bond_Count	10
135565884	Structure_Complexity	756
22475863	Non-hydrogen_Atom_Count	7
536683	Total_Formal_Charge	0
12304613	Mono_Isotopic_Weight	152.120115130
9949802	Undefined_Atom_Stereo_Count	1
135436482	Exact_Mass	513.1284869
3859613	Structure_Complexity	233
24290	Defined_Atom_Stereo_Count	0
8383	Undefined_Atom_Stereo_Count	0
546877	Hydrogen_Bond_Acceptor_Count	2
46783224	Defined_Bond_Stereo_Count	0
10194504	Defined_Atom_Stereo_Count	1
56659408	Undefined_Atom_Stereo_Count	0
136499	Tautomer_Count	1
11504350	Exact_Mass	505.2132196
14511	Undefined_Atom_Stereo_Count	0
103507	Hydrogen_Bond_Donor_Count	0
164914198	TPSA	9.2
2348480	Exact_Mass	325.07726451
54200	Molecular_Weight	652.6
11396	Non-hydrogen_Atom_Count	12
117476	Rotatable_Bond_Count	1
69656	Hydrogen_Bond_Acceptor_Count	2
44338774	Exact_Mass	515.15486338
40539	Hydrogen_Bond_Donor_Count	3
108043	Tautomer_Count	1
45794	Non-hydrogen_Atom_Count	14
394057	Isotope_Atom_Count	0
5280567	TPSA	46.5
81226	Defined_Atom_Stereo_Count	0
4764	Molecular_Weight	318.3
139089144	Defined_Atom_Stereo_Count	0
45275554	Mono_Isotopic_Weight	492.1939613
136459	Undefined_Bond_Stereo_Count	0
6918223	Mono_Isotopic_Weight	304.0938327
2733336	Hydrogen_Bond_Acceptor_Count	1
1479277	Undefined_Bond_Stereo_Count	0
140143509	Defined_Bond_Stereo_Count	0
67239	Undefined_Atom_Stereo_Count	0
55299073	Exact_Mass	113.047678466
9870785	Mono_Isotopic_Weight	504.1928185
153945628	Non-hydrogen_Atom_Count	8
114994	Undefined_Bond_Stereo_Count	0
33251	Hydrogen_Bond_Acceptor_Count	3
67108485	TPSA	21.3
7891	Undefined_Atom_Stereo_Count	0
8266	Undefined_Atom_Stereo_Count	4
76963786	Rotatable_Bond_Count	3
595317	XLogP3	4.7
66280	Undefined_Bond_Stereo_Count	0
53434235	Exact_Mass	93.057849228
136316	XLogP3-AA	2.1
141445129	Defined_Bond_Stereo_Count	0
12671690	Total_Formal_Charge	0
22055193	Covalent_Unit_Count	1
197835	Rotatable_Bond_Count	3
534439	Exact_Mass	114.104465066
60155459	XLogP3-AA	1.9
20935	Isotope_Atom_Count	0
326	Rotatable_Bond_Count	2
28346	Exact_Mass	392.1666839
14969	Defined_Bond_Stereo_Count	0
157568	Non-hydrogen_Atom_Count	7
66532	Hydrogen_Bond_Donor_Count	0
135425186	TPSA	106
70590037	Non-hydrogen_Atom_Count	37
5962	Mono_Isotopic_Weight	146.105527694
137699107	Rotatable_Bond_Count	8
11594328	TPSA	58.7
117072551	Covalent_Unit_Count	1
11632113	TPSA	111
101176453	Non-hydrogen_Atom_Count	75
11116296	Covalent_Unit_Count	1
52938427	Exact_Mass	404.18484064
53346491	Undefined_Bond_Stereo_Count	0
143847825	Defined_Bond_Stereo_Count	0
11989	Non-hydrogen_Atom_Count	11
522996	Total_Formal_Charge	0
91399390	Covalent_Unit_Count	1
5371	Rotatable_Bond_Count	6
444795	Covalent_Unit_Count	1
91754427	Covalent_Unit_Count	4
87713	Covalent_Unit_Count	1
60224	Rotatable_Bond_Count	4
14269	Molecular_Weight	102.13
998021	Undefined_Bond_Stereo_Count	0
69341206	XLogP3-AA	0.4
65786	TPSA	58.6
71362	Undefined_Bond_Stereo_Count	0
2778763	Defined_Bond_Stereo_Count	0
441358	Molecular_Weight	299.8
23424384	Non-hydrogen_Atom_Count	27
91758	Molecular_Weight	283.4
8268	Defined_Bond_Stereo_Count	0
18469536	TPSA	177
3153	Hydrogen_Bond_Acceptor_Count	3
24838	Exact_Mass	186.161979940
92112	Mono_Isotopic_Weight	294.173213330
641543	Defined_Bond_Stereo_Count	0
110823	TPSA	44.5
5388957	Undefined_Atom_Stereo_Count	0
23073857	Defined_Bond_Stereo_Count	0
16704	Molecular_Weight	130.14
119096546	Hydrogen_Bond_Acceptor_Count	3
86296	Mono_Isotopic_Weight	223.110947427
6324668	Structure_Complexity	562
22788210	Defined_Atom_Stereo_Count	2
44404643	XLogP3-AA	4.2
1117	Non-hydrogen_Atom_Count	5
4262071	Non-hydrogen_Atom_Count	24
7792	Hydrogen_Bond_Acceptor_Count	1
6443803	Isotope_Atom_Count	0
20035294	Undefined_Bond_Stereo_Count	0
81821	Molecular_Weight	242.36
148350	Undefined_Atom_Stereo_Count	1
13351229	Mono_Isotopic_Weight	100.063662883
11187581	Hydrogen_Bond_Donor_Count	3
69814	Undefined_Bond_Stereo_Count	1
5166299	Rotatable_Bond_Count	4
45791267	Mono_Isotopic_Weight	134.059246208
10220256	Mono_Isotopic_Weight	232.109944368
136183442	Rotatable_Bond_Count	7
49865703	Hydrogen_Bond_Acceptor_Count	4
53595	Molecular_Weight	687.8
19254	Tautomer_Count	5
9089	TPSA	18.5
11548	Defined_Bond_Stereo_Count	0
6754	Defined_Atom_Stereo_Count	0
5283748	Defined_Atom_Stereo_Count	6
54471	Exact_Mass	321.0687196
19348571	Hydrogen_Bond_Acceptor_Count	2
424353	Exact_Mass	399.20457303
16033	Undefined_Bond_Stereo_Count	0
19829703	TPSA	64.2
71208	Covalent_Unit_Count	1
17857	XLogP3-AA	1.1
21673601	Hydrogen_Bond_Donor_Count	1
87962	Non-hydrogen_Atom_Count	15
4042	Undefined_Bond_Stereo_Count	0
136965670	Hydrogen_Bond_Donor_Count	15
22010122	Rotatable_Bond_Count	1
107805	Exact_Mass	293.152812238
75673	Exact_Mass	265.22664588
141466486	Total_Formal_Charge	0
57399142	Isotope_Atom_Count	0
93009	XLogP3	3.3
11987858	Non-hydrogen_Atom_Count	7
10048368	Hydrogen_Bond_Donor_Count	0
589287	Defined_Atom_Stereo_Count	0
8467	Mono_Isotopic_Weight	166.062994177
9743	Defined_Atom_Stereo_Count	0
61664	Tautomer_Count	3
21389388	TPSA	38.3
940892	TPSA	110
8877	Covalent_Unit_Count	3
8626	Defined_Bond_Stereo_Count	0
84762050	Defined_Bond_Stereo_Count	0
13046623	TPSA	20.2
6398969	TPSA	49.7
59450	XLogP3-AA	4.2
141201	TPSA	0
222154	Molecular_Weight	530.6
34192	Undefined_Bond_Stereo_Count	0
442965	Undefined_Bond_Stereo_Count	0
55918	Structure_Complexity	347
1382043	Non-hydrogen_Atom_Count	8
135409471	Exact_Mass	313.0708448
19604	Molecular_Weight	268.70
54570042	Isotope_Atom_Count	0
58642	TPSA	84.9
85716977	Undefined_Bond_Stereo_Count	0
398638	Isotope_Atom_Count	0
13992155	XLogP3-AA	6.6
151205	Total_Formal_Charge	0
27909	Rotatable_Bond_Count	1
12335	Non-hydrogen_Atom_Count	6
15182658	Hydrogen_Bond_Acceptor_Count	2
55285991	Non-hydrogen_Atom_Count	8
123212370	Defined_Bond_Stereo_Count	0
49789564	TPSA	78.1
12596780	Exact_Mass	78.010564683
12459575	Exact_Mass	116.083729621
123755	Hydrogen_Bond_Donor_Count	3
9465	Exact_Mass	183.06955672
362096	Undefined_Atom_Stereo_Count	0
10159191	Defined_Bond_Stereo_Count	0
16212687	Defined_Atom_Stereo_Count	2
12304612	Isotope_Atom_Count	0
3249	Covalent_Unit_Count	1
5487426	Undefined_Atom_Stereo_Count	0
626607	Defined_Bond_Stereo_Count	0
21715587	Defined_Atom_Stereo_Count	0
60196313	Undefined_Bond_Stereo_Count	0
84878	Undefined_Bond_Stereo_Count	0
6413	Isotope_Atom_Count	0
117859259	Covalent_Unit_Count	1
65601	Structure_Complexity	445
3034287	Hydrogen_Bond_Donor_Count	1
25512	Hydrogen_Bond_Donor_Count	0
2881	Defined_Atom_Stereo_Count	0
64992	Tautomer_Count	1
21788	XLogP3-AA	5.6
56668818	Rotatable_Bond_Count	4
25027363	Defined_Atom_Stereo_Count	11
24760653	Hydrogen_Bond_Acceptor_Count	6
20060494	Molecular_Weight	100.16
2724054	Defined_Atom_Stereo_Count	0
34560	Undefined_Atom_Stereo_Count	0
11061169	Total_Formal_Charge	0
68780878	Isotope_Atom_Count	0
20673	Defined_Bond_Stereo_Count	0
4055	Undefined_Atom_Stereo_Count	0
157355	Exact_Mass	344.13186158
23663418	Defined_Atom_Stereo_Count	0
85178	Defined_Bond_Stereo_Count	0
101670359	Molecular_Weight	300.5
50587	Molecular_Weight	679.8
13925600	Undefined_Atom_Stereo_Count	2
17963363	Hydrogen_Bond_Acceptor_Count	5
1930	Non-hydrogen_Atom_Count	20
66646	Rotatable_Bond_Count	1
24086	Molecular_Weight	371.4
25213	Defined_Atom_Stereo_Count	0
544563	TPSA	12.5
133645886	XLogP3-AA	2.7
57390217	Non-hydrogen_Atom_Count	38
22218878	Mono_Isotopic_Weight	83.037113783
1142	TPSA	426
25015692	Non-hydrogen_Atom_Count	37
40926	Defined_Atom_Stereo_Count	1
21248212	Undefined_Atom_Stereo_Count	0
76959818	Undefined_Atom_Stereo_Count	0
23056	Mono_Isotopic_Weight	337.16779360
44563146	Total_Formal_Charge	0
243274	Covalent_Unit_Count	1
67782238	XLogP3-AA	0.7
13163973	Isotope_Atom_Count	0
375527	Undefined_Bond_Stereo_Count	0
23080868	Mono_Isotopic_Weight	111.068413911
5376979	Structure_Complexity	305
34870	Isotope_Atom_Count	0
4692287	Isotope_Atom_Count	0
9815689	Hydrogen_Bond_Donor_Count	0
23669619	Defined_Bond_Stereo_Count	0
25138203	Mono_Isotopic_Weight	354.11504700
24776154	TPSA	82.6
13999819	TPSA	17.1
30627	Undefined_Atom_Stereo_Count	0
23666112	TPSA	95.6
14868	Isotope_Atom_Count	0
20387223	Non-hydrogen_Atom_Count	7
12507028	Undefined_Bond_Stereo_Count	0
23081366	Total_Formal_Charge	0
14181	Rotatable_Bond_Count	5
46783812	Tautomer_Count	1001
56971	XLogP3-AA	1.5
94547	Defined_Atom_Stereo_Count	0
14970	Hydrogen_Bond_Donor_Count	20
174223	Undefined_Bond_Stereo_Count	0
520540	Rotatable_Bond_Count	0
6445562	XLogP3-AA	4.5
12634652	Exact_Mass	80.062600255
20729555	Undefined_Bond_Stereo_Count	0
12695793	TPSA	3
135444614	Rotatable_Bond_Count	7
23279304	Mono_Isotopic_Weight	113.058911855
8041	Hydrogen_Bond_Acceptor_Count	2
9912474	XLogP3-AA	5.4
114864	Total_Formal_Charge	0
563	Isotope_Atom_Count	0
68090055	XLogP3-AA	1.6
9877608	Tautomer_Count	1
53386711	Hydrogen_Bond_Donor_Count	2
91763	Undefined_Bond_Stereo_Count	0
1202	XLogP3-AA	5.5
11084586	Rotatable_Bond_Count	6
68260833	Mono_Isotopic_Weight	112.088815002
4313	TPSA	153
76974809	Total_Formal_Charge	0
163359784	Undefined_Bond_Stereo_Count	0
135438121	TPSA	50.7
87425008	Total_Formal_Charge	0
135761165	Hydrogen_Bond_Donor_Count	4
12014	Undefined_Bond_Stereo_Count	1
22023476	Isotope_Atom_Count	0
53465279	Exact_Mass	402.99901
66711	Mono_Isotopic_Weight	238.134422523
88276	TPSA	41.5
38101	Mono_Isotopic_Weight	244.10592162
53737226	Non-hydrogen_Atom_Count	7
68576	Non-hydrogen_Atom_Count	31
71027	TPSA	17.1
2032	Undefined_Bond_Stereo_Count	0
12755810	Undefined_Bond_Stereo_Count	0
165558	Non-hydrogen_Atom_Count	34
154549233	Hydrogen_Bond_Donor_Count	0
53846423	Exact_Mass	416.32904526
12277679	Defined_Bond_Stereo_Count	0
136647975	Undefined_Bond_Stereo_Count	0
5288679	Rotatable_Bond_Count	6
16211197	Undefined_Bond_Stereo_Count	0
11009	Undefined_Bond_Stereo_Count	0
21365956	Rotatable_Bond_Count	3
518966	Isotope_Atom_Count	0
70694392	TPSA	102
18370	Undefined_Bond_Stereo_Count	0
150723740	Isotope_Atom_Count	0
415	Total_Formal_Charge	0
771852	Molecular_Weight	302.30
520780	Exact_Mass	87.068413911
11556910	Exact_Mass	391.06251792
28532	Hydrogen_Bond_Acceptor_Count	4
10241	Structure_Complexity	222
3132	Molecular_Weight	253.32
75530316	Rotatable_Bond_Count	5
3423265	Non-hydrogen_Atom_Count	18
44578537	Structure_Complexity	407
97354	Isotope_Atom_Count	0
66602654	XLogP3-AA	0
54686350	Structure_Complexity	179
6594	Tautomer_Count	1
125183304	Covalent_Unit_Count	1
52921323	Total_Formal_Charge	0
67832	Molecular_Weight	202.05
12651160	Isotope_Atom_Count	0
519103	Molecular_Weight	243.34
549701	Rotatable_Bond_Count	0
134820051	Undefined_Bond_Stereo_Count	0
6418719	Hydrogen_Bond_Donor_Count	1
20535601	Rotatable_Bond_Count	3
53477794	Defined_Bond_Stereo_Count	1
135441757	Hydrogen_Bond_Acceptor_Count	2
9089	Covalent_Unit_Count	1
14045176	Defined_Atom_Stereo_Count	0
54394834	Covalent_Unit_Count	1
149755	Total_Formal_Charge	0
6435	Undefined_Atom_Stereo_Count	0
51001932	Undefined_Bond_Stereo_Count	0
50989726	TPSA	26
5281066	Molecular_Weight	522.5
5702144	Undefined_Atom_Stereo_Count	0
68944676	Covalent_Unit_Count	1
18382065	Isotope_Atom_Count	0
143184805	Defined_Atom_Stereo_Count	0
82658	Exact_Mass	140.083729621
634493	Structure_Complexity	217
22476544	Mono_Isotopic_Weight	101.047678466
16835	Isotope_Atom_Count	0
530423	Total_Formal_Charge	0
122623	Total_Formal_Charge	0
57511216	Covalent_Unit_Count	1
6916004	Isotope_Atom_Count	0
11670	Mono_Isotopic_Weight	102.104465066
140112497	Hydrogen_Bond_Donor_Count	1
656980	Hydrogen_Bond_Acceptor_Count	2
63546	Total_Formal_Charge	0
7174	Molecular_Weight	179.22
90859735	Exact_Mass	114.104465066
57074	Non-hydrogen_Atom_Count	26
57465	Total_Formal_Charge	1
46937059	Mono_Isotopic_Weight	281.10519334
7060524	Isotope_Atom_Count	0
10867835	Total_Formal_Charge	0
9678	Isotope_Atom_Count	0
667	Defined_Atom_Stereo_Count	0
439377	Exact_Mass	161.06880783
108242	Structure_Complexity	375
45488110	Structure_Complexity	722
90657669	Mono_Isotopic_Weight	582.27164427
12220383	Exact_Mass	111.068413911
8500	Mono_Isotopic_Weight	134.073164938
51042438	Hydrogen_Bond_Acceptor_Count	6
54480857	Molecular_Weight	106.09
5240098	Rotatable_Bond_Count	4
709	Defined_Bond_Stereo_Count	0
13799	Undefined_Bond_Stereo_Count	0
88631	Defined_Atom_Stereo_Count	0
9457	Isotope_Atom_Count	0
75412563	Mono_Isotopic_Weight	433.71509
90909703	Structure_Complexity	688
22239379	Hydrogen_Bond_Donor_Count	1
115234	Hydrogen_Bond_Donor_Count	1
90311989	Undefined_Atom_Stereo_Count	0
5372405	XLogP3-AA	2.8
10993649	XLogP3-AA	1.1
44442065	Hydrogen_Bond_Acceptor_Count	5
3541	Structure_Complexity	570
72494242	Structure_Complexity	64.6
433	Hydrogen_Bond_Acceptor_Count	3
132584645	Hydrogen_Bond_Donor_Count	0
45040472	Defined_Bond_Stereo_Count	0
57438703	Hydrogen_Bond_Acceptor_Count	6
7213685	Defined_Bond_Stereo_Count	0
2267	Defined_Bond_Stereo_Count	0
228864	Non-hydrogen_Atom_Count	22
14352519	Hydrogen_Bond_Acceptor_Count	2
19604	Non-hydrogen_Atom_Count	18
5325710	Undefined_Bond_Stereo_Count	0
61104	Defined_Bond_Stereo_Count	0
9066	Hydrogen_Bond_Donor_Count	1
5284361	Defined_Bond_Stereo_Count	0
25133978	Isotope_Atom_Count	0
53663591	Total_Formal_Charge	0
19427867	TPSA	38.3
7117	Mono_Isotopic_Weight	224.01432991
9215	Isotope_Atom_Count	0
44308032	TPSA	56.9
12525	Mono_Isotopic_Weight	172.964652
92058	Molecular_Weight	186.29
10197660	Undefined_Atom_Stereo_Count	2
15918976	Hydrogen_Bond_Donor_Count	0
179849	Total_Formal_Charge	0
91942	Rotatable_Bond_Count	5
57238241	Molecular_Weight	92.14
755686	Defined_Bond_Stereo_Count	0
92275	Defined_Bond_Stereo_Count	0
3478696	Hydrogen_Bond_Donor_Count	1
23971	Total_Formal_Charge	0
16218793	TPSA	74.8
6440764	Hydrogen_Bond_Acceptor_Count	10
8809	Exact_Mass	334.1005581
16197725	TPSA	2950
250079	Undefined_Atom_Stereo_Count	2
121639	TPSA	150
14353870	Mono_Isotopic_Weight	98.036779430
11963037	Molecular_Weight	104.10
6869	Molecular_Weight	350.4
11009	Hydrogen_Bond_Acceptor_Count	2
16211115	Rotatable_Bond_Count	1
21720414	XLogP3-AA	1.2
10996979	Undefined_Atom_Stereo_Count	0
83295	Non-hydrogen_Atom_Count	29
25799	Covalent_Unit_Count	1
9942657	Hydrogen_Bond_Acceptor_Count	4
7680	Covalent_Unit_Count	1
60196413	Structure_Complexity	552
21133868	TPSA	20.3
6433345	Non-hydrogen_Atom_Count	58
551491	Defined_Atom_Stereo_Count	0
6324616	Defined_Bond_Stereo_Count	3
119058013	Tautomer_Count	6
885959	Defined_Atom_Stereo_Count	0
4992033	Structure_Complexity	111
95162416	Total_Formal_Charge	0
4853	Rotatable_Bond_Count	6
8185	Rotatable_Bond_Count	9
11566	Total_Formal_Charge	0
10954241	Hydrogen_Bond_Acceptor_Count	6
34203	XLogP3-AA	2
6232	Isotope_Atom_Count	0
102025584	Defined_Atom_Stereo_Count	10
39066	Mono_Isotopic_Weight	154.172150702
23677971	Tautomer_Count	1
122130461	Defined_Atom_Stereo_Count	1
136898365	Total_Formal_Charge	0
1505	Non-hydrogen_Atom_Count	19
5461103	Hydrogen_Bond_Acceptor_Count	5
90019226	Molecular_Weight	103.12
139061105	Hydrogen_Bond_Acceptor_Count	6
34458	Structure_Complexity	488
11161534	Rotatable_Bond_Count	3
3033928	Mono_Isotopic_Weight	404.1117066
9812772	Rotatable_Bond_Count	2
133698931	Hydrogen_Bond_Acceptor_Count	23
519514	Hydrogen_Bond_Donor_Count	1
7405	TPSA	66.4
126963424	Hydrogen_Bond_Donor_Count	0
5523	TPSA	32.7
76059980	Undefined_Bond_Stereo_Count	0
129010440	Molecular_Weight	303.35
17321	XLogP3	5.2
91259187	Defined_Atom_Stereo_Count	0
533877	Non-hydrogen_Atom_Count	7
16005261	Hydrogen_Bond_Acceptor_Count	2
92237	TPSA	202
63420	Defined_Atom_Stereo_Count	0
24855	Tautomer_Count	1
57052261	Hydrogen_Bond_Acceptor_Count	3
1266	Molecular_Weight	435.5
190816	Undefined_Bond_Stereo_Count	0
76218	XLogP3-AA	0.5
17531	Exact_Mass	345.03707073
70200	Undefined_Bond_Stereo_Count	0
59252	Hydrogen_Bond_Acceptor_Count	3
17907603	TPSA	37.3
247304	Tautomer_Count	178
1449	XLogP3	7.1
14830385	Undefined_Bond_Stereo_Count	0
21972427	Hydrogen_Bond_Acceptor_Count	2
65910	Tautomer_Count	1
44571221	Non-hydrogen_Atom_Count	30
14516	Rotatable_Bond_Count	1
72325	Hydrogen_Bond_Donor_Count	7
3692	Undefined_Bond_Stereo_Count	0
265776	Exact_Mass	109.063997236
459971	Defined_Bond_Stereo_Count	0
66935111	Exact_Mass	101.084063974
124921374	TPSA	231
4811	Undefined_Atom_Stereo_Count	2
60196304	Isotope_Atom_Count	0
6346	Undefined_Bond_Stereo_Count	0
61420	Total_Formal_Charge	0
73013349	Total_Formal_Charge	0
140071	Total_Formal_Charge	0
11100	Mono_Isotopic_Weight	192.04225873
129671761	Non-hydrogen_Atom_Count	15
76451	Hydrogen_Bond_Donor_Count	0
91766	TPSA	67.4
156412638	Hydrogen_Bond_Donor_Count	1
11622909	XLogP3-AA	1.4
12096747	Rotatable_Bond_Count	11
3034808	Covalent_Unit_Count	1
53435160	Hydrogen_Bond_Acceptor_Count	2
6883	Undefined_Atom_Stereo_Count	0
132274234	Hydrogen_Bond_Acceptor_Count	26
10125048	Hydrogen_Bond_Donor_Count	2
2720	Total_Formal_Charge	0
504457	Molecular_Weight	382.5
57515953	Rotatable_Bond_Count	8
5053558	Defined_Bond_Stereo_Count	0
35330	Hydrogen_Bond_Acceptor_Count	6
151404	TPSA	40.9
58196257	Undefined_Bond_Stereo_Count	0
21466713	Hydrogen_Bond_Donor_Count	1
57286269	Defined_Bond_Stereo_Count	0
145705978	Isotope_Atom_Count	0
11899	Hydrogen_Bond_Acceptor_Count	2
11159305	Mono_Isotopic_Weight	110.073164938
78328	Hydrogen_Bond_Donor_Count	1
5367222	Isotope_Atom_Count	0
53699711	Molecular_Weight	114.10
53481477	Mono_Isotopic_Weight	350.20932405
86220885	Structure_Complexity	24.8
16051921	Mono_Isotopic_Weight	391.1218178
10558601	Total_Formal_Charge	0
9905438	Molecular_Weight	327.2
21192690	Hydrogen_Bond_Donor_Count	1
55804	Structure_Complexity	150
19919	Mono_Isotopic_Weight	102.068079557
10997120	Defined_Atom_Stereo_Count	0
17806836	Isotope_Atom_Count	0
123875320	Non-hydrogen_Atom_Count	8
54586718	Mono_Isotopic_Weight	313.17902698
129533	Defined_Atom_Stereo_Count	4
638011	Hydrogen_Bond_Donor_Count	0
657378	Molecular_Weight	335.36
6398969	Hydrogen_Bond_Donor_Count	1
253350	Covalent_Unit_Count	1
151104	Exact_Mass	232.03480437
54686187	Defined_Bond_Stereo_Count	0
61055	Molecular_Weight	144.21
21252133	Exact_Mass	114.104465066
104416	Tautomer_Count	1
2734117	Structure_Complexity	281
445995	Tautomer_Count	1
9548605	Undefined_Bond_Stereo_Count	0
95005	Defined_Bond_Stereo_Count	0
358996	Undefined_Bond_Stereo_Count	0
145068	Non-hydrogen_Atom_Count	2
18048	Defined_Bond_Stereo_Count	0
68356363	Undefined_Bond_Stereo_Count	0
6918663	Defined_Atom_Stereo_Count	0
99564	Exact_Mass	137.084063974
16218641	Undefined_Atom_Stereo_Count	0
525065	Covalent_Unit_Count	1
58270057	Rotatable_Bond_Count	1
119584	Non-hydrogen_Atom_Count	29
65784	Defined_Bond_Stereo_Count	0
88547603	Hydrogen_Bond_Donor_Count	5
10440976	Molecular_Weight	983.1
17439	Undefined_Atom_Stereo_Count	1
5361	TPSA	534
131714458	Mono_Isotopic_Weight	395.03581088
203875	Defined_Bond_Stereo_Count	0
12537312	Structure_Complexity	124
57734486	Hydrogen_Bond_Donor_Count	3
12766	Hydrogen_Bond_Donor_Count	1
70687387	TPSA	91.9
9642	Hydrogen_Bond_Acceptor_Count	9
59167199	Hydrogen_Bond_Donor_Count	0
75888	Defined_Bond_Stereo_Count	0
11446301	XLogP3-AA	0
10139173	Total_Formal_Charge	0
3608	Undefined_Atom_Stereo_Count	1
444212	Covalent_Unit_Count	1
135440068	Molecular_Weight	267.24
80676	Structure_Complexity	99.1
69341269	Non-hydrogen_Atom_Count	8
1095	Structure_Complexity	357
53420227	TPSA	40.5
119570	Exact_Mass	211.11431873
3506	Covalent_Unit_Count	1
157294	Hydrogen_Bond_Acceptor_Count	3
45157475	Total_Formal_Charge	0
13693	Hydrogen_Bond_Donor_Count	2
185495	Tautomer_Count	1
492405	Tautomer_Count	7
61212	Molecular_Weight	279.9
140291701	Defined_Bond_Stereo_Count	0
10923804	TPSA	85.8
13562	Molecular_Weight	103.12
60054	Non-hydrogen_Atom_Count	21
16682930	Molecular_Weight	114.16
18171	Total_Formal_Charge	0
6916258	Non-hydrogen_Atom_Count	24
73433	Hydrogen_Bond_Donor_Count	2
5480	Rotatable_Bond_Count	5
8600	Mono_Isotopic_Weight	270.07395278
21841	Undefined_Bond_Stereo_Count	0
9590	TPSA	45.8
58196257	Hydrogen_Bond_Acceptor_Count	2
131756	Covalent_Unit_Count	2
18743	Mono_Isotopic_Weight	114.128274515
44571187	Isotope_Atom_Count	0
13574950	Structure_Complexity	74.1
11621437	Covalent_Unit_Count	1
46325	XLogP3-AA	2.2
41653	Undefined_Atom_Stereo_Count	0
17769	Undefined_Bond_Stereo_Count	0
18730046	Defined_Bond_Stereo_Count	0
44190035	Molecular_Weight	209.25
445761	Undefined_Bond_Stereo_Count	0
135412163	TPSA	83.8
577022	Total_Formal_Charge	0
914	TPSA	65.1
123537454	Structure_Complexity	109
101239377	Undefined_Bond_Stereo_Count	0
6518	Structure_Complexity	311
11679800	XLogP3-AA	2.4
3958	TPSA	61.7
53641062	Undefined_Atom_Stereo_Count	0
520326	Rotatable_Bond_Count	6
134694652	Isotope_Atom_Count	0
24829330	Hydrogen_Bond_Acceptor_Count	6
5366844	Defined_Atom_Stereo_Count	0
5280970	Covalent_Unit_Count	1
43517	Mono_Isotopic_Weight	301.11365002
5280795	Defined_Bond_Stereo_Count	2
71352	Mono_Isotopic_Weight	341.1546421
13290	Rotatable_Bond_Count	8
747268	Structure_Complexity	453
8078	Defined_Bond_Stereo_Count	0
151194	Hydrogen_Bond_Acceptor_Count	4
3791	Defined_Bond_Stereo_Count	0
84265	Total_Formal_Charge	0
254129	XLogP3-AA	0.2
140112497	Covalent_Unit_Count	1
17913	TPSA	74.6
11441554	Undefined_Atom_Stereo_Count	0
23691021	Isotope_Atom_Count	0
297812	Rotatable_Bond_Count	5
6608	Undefined_Atom_Stereo_Count	0
20526803	Defined_Atom_Stereo_Count	0
93504	Mono_Isotopic_Weight	286.13174244
65238	Covalent_Unit_Count	1
18954	Undefined_Bond_Stereo_Count	0
54378261	Non-hydrogen_Atom_Count	8
13682918	Covalent_Unit_Count	1
6328250	Isotope_Atom_Count	0
3340552	Covalent_Unit_Count	1
59277756	Mono_Isotopic_Weight	99.043261792
24373	Undefined_Atom_Stereo_Count	0
126961192	Rotatable_Bond_Count	11
20281045	Undefined_Bond_Stereo_Count	0
53696	Exact_Mass	519.0801742
141318	Isotope_Atom_Count	0
141225356	Exact_Mass	408.12969158
342737	Structure_Complexity	590
18273	Isotope_Atom_Count	0
135621748	Isotope_Atom_Count	0
122121	Undefined_Bond_Stereo_Count	0
71541292	TPSA	45.4
18980	Isotope_Atom_Count	0
21123938	Undefined_Bond_Stereo_Count	0
98051218	Structure_Complexity	481
6950199	Rotatable_Bond_Count	2
119171	Mono_Isotopic_Weight	631.24473756
25265910	Undefined_Bond_Stereo_Count	0
10716132	TPSA	95.1
3140955	Total_Formal_Charge	0
6445540	Undefined_Atom_Stereo_Count	0
653145	Isotope_Atom_Count	0
17235	Undefined_Bond_Stereo_Count	0
14786268	Structure_Complexity	94.7
67375395	Structure_Complexity	568
13362	Tautomer_Count	2
334102	XLogP3-AA	3.5
59874134	Molecular_Weight	98.14
57369982	Hydrogen_Bond_Acceptor_Count	7
82736	Total_Formal_Charge	0
544596	Rotatable_Bond_Count	3
9571107	Covalent_Unit_Count	1
13694931	Total_Formal_Charge	0
456161	Undefined_Bond_Stereo_Count	0
25209	Exact_Mass	196.219100893
11379626	Mono_Isotopic_Weight	247.099714038
9945189	Molecular_Weight	326.34
125	Mono_Isotopic_Weight	124.052429494
57247629	Isotope_Atom_Count	0
6086	Exact_Mass	275.188529040
101989	Covalent_Unit_Count	1
2843	Exact_Mass	627.34321237
91670	Undefined_Bond_Stereo_Count	0
42512	Rotatable_Bond_Count	7
3717	Mono_Isotopic_Weight	355.0611356
5363548	Tautomer_Count	1
95209	Exact_Mass	181.05613515
201412	Structure_Complexity	458
91591	Exact_Mass	143.0137915
5370481	TPSA	74.6
24706	Isotope_Atom_Count	0
93768	Defined_Bond_Stereo_Count	0
6324671	Undefined_Bond_Stereo_Count	0
6720	TPSA	45.8
737374	TPSA	70.1
54445182	TPSA	110
9571109	Defined_Bond_Stereo_Count	1
24191118	Total_Formal_Charge	0
178024	XLogP3-AA	1.3
134688015	XLogP3-AA	6.1
179668	Tautomer_Count	3
5702043	Undefined_Bond_Stereo_Count	0
18636	Undefined_Atom_Stereo_Count	0
9895	Isotope_Atom_Count	0
57390700	Hydrogen_Bond_Acceptor_Count	9
98497	Covalent_Unit_Count	1
71027	Rotatable_Bond_Count	3
19743370	Mono_Isotopic_Weight	116.083729621
2228691	Defined_Atom_Stereo_Count	0
16211288	Tautomer_Count	2
571736	Hydrogen_Bond_Donor_Count	1
111804	Undefined_Atom_Stereo_Count	0
58206	Defined_Atom_Stereo_Count	0
23983765	Hydrogen_Bond_Acceptor_Count	3
9863827	Undefined_Atom_Stereo_Count	0
146681255	TPSA	182
13404671	Structure_Complexity	72.9
18048	TPSA	20.2
668081	TPSA	61.8
20618051	Mono_Isotopic_Weight	100.052429494
70815	Structure_Complexity	239
11870241	Rotatable_Bond_Count	3
3781988	Rotatable_Bond_Count	6
12817963	Covalent_Unit_Count	1
13235	Isotope_Atom_Count	0
137701808	Molecular_Weight	639.8
71777705	Defined_Atom_Stereo_Count	0
13129031	Structure_Complexity	111
16134267	XLogP3-AA	6.2
10785	TPSA	37.3
644078	Tautomer_Count	1
10286834	XLogP3-AA	3.2
132367	Covalent_Unit_Count	1
54580051	Structure_Complexity	654
11993	Exact_Mass	237.90463
11215	Total_Formal_Charge	0
139066803	Rotatable_Bond_Count	4
50896	Total_Formal_Charge	0
57874	Hydrogen_Bond_Acceptor_Count	3
13582607	Isotope_Atom_Count	0
18170	TPSA	49.1
14899645	Undefined_Atom_Stereo_Count	0
5335	Non-hydrogen_Atom_Count	22
21252133	Molecular_Weight	114.19
98017	Tautomer_Count	4
11309487	Structure_Complexity	127
131704328	Non-hydrogen_Atom_Count	26
24946802	Undefined_Atom_Stereo_Count	0
94403	Structure_Complexity	356
2554	TPSA	46.3
145909964	Non-hydrogen_Atom_Count	7
5156	Structure_Complexity	500
9031	Molecular_Weight	259.68
445032	Rotatable_Bond_Count	5
10406	Exact_Mass	199.229999929
440068	Exact_Mass	434.24334058
71718495	Defined_Atom_Stereo_Count	4
203433	Exact_Mass	281.06228316
123608	Hydrogen_Bond_Acceptor_Count	4
86169099	Total_Formal_Charge	0
2782	Undefined_Atom_Stereo_Count	0
517063	Structure_Complexity	122
46795	Exact_Mass	301.06774
56270	Isotope_Atom_Count	0
15951529	TPSA	109
58970	Defined_Atom_Stereo_Count	0
45051637	Molecular_Weight	278.5
222714	Undefined_Atom_Stereo_Count	1
26249	Hydrogen_Bond_Acceptor_Count	8
15951420	Defined_Bond_Stereo_Count	0
115116	Exact_Mass	286.15689456
439468	Total_Formal_Charge	0
3732019	Undefined_Bond_Stereo_Count	0
6828291	Total_Formal_Charge	0
22502	Hydrogen_Bond_Donor_Count	4
157688	XLogP3	4.4
9244	Undefined_Bond_Stereo_Count	0
610072	XLogP3-AA	4
735091	Undefined_Bond_Stereo_Count	0
25887	Isotope_Atom_Count	0
37993	Hydrogen_Bond_Donor_Count	1
5169	Exact_Mass	331.11209024
67972405	Molecular_Weight	111.10
90613	Defined_Atom_Stereo_Count	0
39176	Molecular_Weight	114.19
92922	Undefined_Bond_Stereo_Count	0
101574147	Mono_Isotopic_Weight	813.32364278
243274	Non-hydrogen_Atom_Count	21
8749	Exact_Mass	150.079312947
74441105	XLogP3-AA	1.8
19829703	Isotope_Atom_Count	0
404566	Non-hydrogen_Atom_Count	23
445638	Total_Formal_Charge	0
131057	Hydrogen_Bond_Donor_Count	4
163199229	Defined_Atom_Stereo_Count	4
22314	Non-hydrogen_Atom_Count	27
22932	TPSA	52.6
24891647	Non-hydrogen_Atom_Count	28
96338	TPSA	29.1
96759	Rotatable_Bond_Count	2
398729	Total_Formal_Charge	0
6918222	Undefined_Atom_Stereo_Count	0
689784	Covalent_Unit_Count	1
22041940	Covalent_Unit_Count	1
24987688	XLogP3-AA	3.1
42586	Covalent_Unit_Count	1
161729	Total_Formal_Charge	0
9964481	Hydrogen_Bond_Acceptor_Count	6
5599	Non-hydrogen_Atom_Count	15
132596289	Structure_Complexity	187
520888	Undefined_Atom_Stereo_Count	0
4199	Covalent_Unit_Count	1
5281034	Structure_Complexity	596
16415729	Hydrogen_Bond_Donor_Count	3
3652	Total_Formal_Charge	0
23676152	Tautomer_Count	2
13217239	Defined_Atom_Stereo_Count	0
65649	Non-hydrogen_Atom_Count	12
14930278	TPSA	29.5
14815775	XLogP3-AA	0.1
1396	Mono_Isotopic_Weight	444.97074
10229498	Mono_Isotopic_Weight	511.932274
69371	Hydrogen_Bond_Donor_Count	2
135410917	Undefined_Bond_Stereo_Count	0
11251984	Rotatable_Bond_Count	0
76700	Structure_Complexity	51.8
57286269	Structure_Complexity	66.3
135408658	Rotatable_Bond_Count	3
15217249	Undefined_Atom_Stereo_Count	1
7421	Rotatable_Bond_Count	1
58981134	Defined_Atom_Stereo_Count	0
9793926	Structure_Complexity	151
52949760	Mono_Isotopic_Weight	369.18748367
123917	Defined_Atom_Stereo_Count	0
92840	Tautomer_Count	1
135578046	Total_Formal_Charge	0
3716971	Exact_Mass	88.98748351
71311337	Defined_Atom_Stereo_Count	0
87700	Covalent_Unit_Count	1
15789	Hydrogen_Bond_Donor_Count	4
118785	Isotope_Atom_Count	0
54692950	Tautomer_Count	1000
142403638	Rotatable_Bond_Count	1
21343371	Undefined_Bond_Stereo_Count	0
2735142	Covalent_Unit_Count	2
206527	Molecular_Weight	407.5
117633116	Exact_Mass	180.06338810
12599600	Undefined_Bond_Stereo_Count	0
9839867	Total_Formal_Charge	1
129859783	Hydrogen_Bond_Donor_Count	1
140796896	Covalent_Unit_Count	1
141850	Defined_Atom_Stereo_Count	0
287442	Non-hydrogen_Atom_Count	18
133679779	Exact_Mass	114.104465066
115141	TPSA	17
11582651	Molecular_Weight	425.4
7370	Non-hydrogen_Atom_Count	10
53373584	Hydrogen_Bond_Acceptor_Count	10
13379958	Hydrogen_Bond_Acceptor_Count	1
138506	Total_Formal_Charge	0
7779	Undefined_Atom_Stereo_Count	0
5361486	Covalent_Unit_Count	1
10000	Isotope_Atom_Count	0
3336	Non-hydrogen_Atom_Count	24
68315	Defined_Atom_Stereo_Count	0
65040	Total_Formal_Charge	0
12509715	Isotope_Atom_Count	0
6518	Defined_Bond_Stereo_Count	0
12318317	Hydrogen_Bond_Acceptor_Count	1
12521030	Exact_Mass	223.98509127
994360	Hydrogen_Bond_Acceptor_Count	5
7115	Total_Formal_Charge	0
12242809	Undefined_Atom_Stereo_Count	0
9964258	Undefined_Bond_Stereo_Count	0
23675737	Rotatable_Bond_Count	4
53316386	Undefined_Atom_Stereo_Count	0
9989226	Defined_Atom_Stereo_Count	0
22612	XLogP3-AA	1
145562	Undefined_Bond_Stereo_Count	0
142882	Defined_Atom_Stereo_Count	0
13973648	Hydrogen_Bond_Donor_Count	3
135449281	Rotatable_Bond_Count	2
17910644	Rotatable_Bond_Count	0
12331	Structure_Complexity	41.7
17900281	Rotatable_Bond_Count	2
3034285	XLogP3-AA	3.7
12660241	Hydrogen_Bond_Donor_Count	0
10205	Total_Formal_Charge	0
23687713	Non-hydrogen_Atom_Count	14
90488788	Isotope_Atom_Count	0
70949	Non-hydrogen_Atom_Count	10
134534190	Hydrogen_Bond_Acceptor_Count	12
5546	Rotatable_Bond_Count	1
143047391	Molecular_Weight	87.12
9231	Rotatable_Bond_Count	0
3938	Undefined_Bond_Stereo_Count	0
15230353	Total_Formal_Charge	0
12899069	Covalent_Unit_Count	1
225147	Molecular_Weight	116.16
21772	Covalent_Unit_Count	1
18692	TPSA	40.5
16161315	Tautomer_Count	1000
53953608	Molecular_Weight	114.19
6786	Hydrogen_Bond_Donor_Count	0
85787089	Non-hydrogen_Atom_Count	8
5284419	Structure_Complexity	956
143714846	Undefined_Atom_Stereo_Count	5
53932862	TPSA	17.1
853433	Exact_Mass	164.083729621
156594090	Total_Formal_Charge	0
132594557	Undefined_Atom_Stereo_Count	2
6325	Isotope_Atom_Count	0
14907580	Defined_Atom_Stereo_Count	0
89767	Structure_Complexity	754
7451	Exact_Mass	201.9588348
70421410	Hydrogen_Bond_Acceptor_Count	3
71434160	Mono_Isotopic_Weight	416.32904526
219104	Hydrogen_Bond_Acceptor_Count	3
84715968	Non-hydrogen_Atom_Count	7
12901	Hydrogen_Bond_Acceptor_Count	6
20814133	Exact_Mass	85.03884512
65557	Defined_Atom_Stereo_Count	0
32526	Total_Formal_Charge	0
121893	Rotatable_Bond_Count	8
37427	Rotatable_Bond_Count	4
23164725	Total_Formal_Charge	0
5746414	Total_Formal_Charge	0
87140770	Exact_Mass	117.042593085
408714	Structure_Complexity	352
66384	Structure_Complexity	376
11344362	Covalent_Unit_Count	1
11974	Non-hydrogen_Atom_Count	25
69408	Total_Formal_Charge	0
515574	Hydrogen_Bond_Donor_Count	0
16134409	Isotope_Atom_Count	0
79025	Molecular_Weight	180.16
200638	Rotatable_Bond_Count	4
45026	Non-hydrogen_Atom_Count	21
20638786	Defined_Bond_Stereo_Count	0
11083822	Isotope_Atom_Count	0
7155	Defined_Atom_Stereo_Count	0
447379	Covalent_Unit_Count	1
103997	XLogP3-AA	4.6
11399084	XLogP3-AA	10.3
398596	Non-hydrogen_Atom_Count	17
7222	Rotatable_Bond_Count	0
31629	Undefined_Bond_Stereo_Count	0
11159325	Defined_Atom_Stereo_Count	0
23418	Hydrogen_Bond_Donor_Count	2
1100	Rotatable_Bond_Count	0
93221	Mono_Isotopic_Weight	699.42473655
38768	Non-hydrogen_Atom_Count	22
131059	Defined_Bond_Stereo_Count	0
930	Total_Formal_Charge	0
24247	Hydrogen_Bond_Donor_Count	1
9861147	Covalent_Unit_Count	1
391136	Isotope_Atom_Count	0
16971	Defined_Atom_Stereo_Count	0
169	Undefined_Atom_Stereo_Count	2
18684904	Covalent_Unit_Count	1
10271	TPSA	164
154104	Defined_Atom_Stereo_Count	1
3403	Defined_Atom_Stereo_Count	0
39524	Non-hydrogen_Atom_Count	17
453359	Hydrogen_Bond_Donor_Count	0
62576	Rotatable_Bond_Count	4
70582	Structure_Complexity	333
289847	TPSA	63.8
542352	Exact_Mass	100.088815002
8492	Defined_Bond_Stereo_Count	0
135497803	Covalent_Unit_Count	1
11029806	TPSA	43.4
11094546	Covalent_Unit_Count	1
23573786	Undefined_Bond_Stereo_Count	0
11840920	Isotope_Atom_Count	0
146156434	Defined_Atom_Stereo_Count	3
138403272	Hydrogen_Bond_Acceptor_Count	18
185792	Hydrogen_Bond_Acceptor_Count	1
38316	Molecular_Weight	191.23
6433091	Isotope_Atom_Count	0
6507255	Non-hydrogen_Atom_Count	21
23681559	Rotatable_Bond_Count	3
1099	Structure_Complexity	18.8
12936730	Hydrogen_Bond_Donor_Count	1
87110	Covalent_Unit_Count	1
13031981	Undefined_Atom_Stereo_Count	1
20903	Total_Formal_Charge	0
21863274	Rotatable_Bond_Count	2
5092	Undefined_Bond_Stereo_Count	0
60196260	Covalent_Unit_Count	2
13317841	Hydrogen_Bond_Donor_Count	1
21863274	Hydrogen_Bond_Acceptor_Count	5
5484	Isotope_Atom_Count	0
5324166	Isotope_Atom_Count	0
149514	Total_Formal_Charge	0
156375	Molecular_Weight	299.18
59841	Total_Formal_Charge	0
73268	Hydrogen_Bond_Donor_Count	3
39764	Non-hydrogen_Atom_Count	41
17864	Molecular_Weight	152.03
124094	Rotatable_Bond_Count	5
66906036	Total_Formal_Charge	0
53595	XLogP3-AA	0.9
63610	Defined_Atom_Stereo_Count	0
2762921	Hydrogen_Bond_Acceptor_Count	2
128847	Covalent_Unit_Count	1
23630065	Undefined_Atom_Stereo_Count	0
76621	Mono_Isotopic_Weight	207.0886878
11979535	Exact_Mass	1348.60159125
148401	Undefined_Bond_Stereo_Count	1
209257	Rotatable_Bond_Count	0
54751657	Undefined_Atom_Stereo_Count	0
10219	TPSA	52.2
15308711	TPSA	220
14511497	Non-hydrogen_Atom_Count	8
21634	Exact_Mass	207.162314293
4474062	Undefined_Atom_Stereo_Count	1
208902	Defined_Atom_Stereo_Count	1
75791	Hydrogen_Bond_Acceptor_Count	4
170317	Total_Formal_Charge	0
5940153	Exact_Mass	203.058243149
4793	Hydrogen_Bond_Acceptor_Count	6
41268	TPSA	50.8
6347538	Defined_Atom_Stereo_Count	2
72582	Total_Formal_Charge	0
163050677	Exact_Mass	284.16237386
132935795	Covalent_Unit_Count	1
72068	Mono_Isotopic_Weight	286.04860741
15535273	Isotope_Atom_Count	0
24883429	Defined_Bond_Stereo_Count	0
20617585	Hydrogen_Bond_Donor_Count	0
55560	Non-hydrogen_Atom_Count	40
65392523	Rotatable_Bond_Count	0
60168097	Defined_Bond_Stereo_Count	0
76156	Defined_Bond_Stereo_Count	0
14532111	Molecular_Weight	110.08
17673	Defined_Atom_Stereo_Count	0
4020	Rotatable_Bond_Count	1
1793	Total_Formal_Charge	0
450	Molecular_Weight	272.4
1549018	Tautomer_Count	10
5901	Undefined_Bond_Stereo_Count	0
448167	TPSA	24.9
6435808	Rotatable_Bond_Count	2
91742	Isotope_Atom_Count	0
41124	Non-hydrogen_Atom_Count	10
3034372	Mono_Isotopic_Weight	166.02997997
6388	Covalent_Unit_Count	1
91224654	Exact_Mass	108.093900383
66559276	Isotope_Atom_Count	0
16097	Covalent_Unit_Count	1
43708	Isotope_Atom_Count	0
214397	Isotope_Atom_Count	0
91667752	TPSA	290
3356885	Hydrogen_Bond_Acceptor_Count	2
13181	Defined_Atom_Stereo_Count	0
19994812	Total_Formal_Charge	0
9518	Defined_Atom_Stereo_Count	0
10722	Molecular_Weight	120.15
102470202	Hydrogen_Bond_Donor_Count	9
565106	Isotope_Atom_Count	0
25015556	XLogP3-AA	2.9
3034368	Exact_Mass	538.749951
91326539	Molecular_Weight	96.17
213037	TPSA	167
2733257	Molecular_Weight	139.58
10267079	TPSA	62.3
558889	Defined_Atom_Stereo_Count	0
75412604	Hydrogen_Bond_Acceptor_Count	13
38849	Structure_Complexity	636
128626	Hydrogen_Bond_Acceptor_Count	3
89427261	XLogP3-AA	0.7
486	Defined_Bond_Stereo_Count	0
135410	Hydrogen_Bond_Donor_Count	1
831	Mono_Isotopic_Weight	174.05148074
522693	Defined_Atom_Stereo_Count	0
69240	Hydrogen_Bond_Donor_Count	0
20728717	Non-hydrogen_Atom_Count	8
31250	Total_Formal_Charge	0
2673	Molecular_Weight	349.4
44429	Hydrogen_Bond_Acceptor_Count	2
12285889	Structure_Complexity	151
17756	TPSA	29.5
4369413	Defined_Bond_Stereo_Count	0
122345	Undefined_Atom_Stereo_Count	1
13506	TPSA	242
123630180	Exact_Mass	108.093900383
4556055	Molecular_Weight	344.5
170993	XLogP3-AA	2.4
1245	TPSA	87
155893809	Non-hydrogen_Atom_Count	8
11115	Exact_Mass	236.152477885
36272	Hydrogen_Bond_Donor_Count	0
33344	Isotope_Atom_Count	0
60052896	Undefined_Atom_Stereo_Count	2
21718278	Mono_Isotopic_Weight	111.079647300
101305714	Exact_Mass	885.48745594
9832447	Defined_Atom_Stereo_Count	0
68781	Exact_Mass	416.18350323
14577080	TPSA	12.5
24944555	Hydrogen_Bond_Donor_Count	0
122174048	Structure_Complexity	1010
118010650	Structure_Complexity	77.7
108352	Undefined_Bond_Stereo_Count	0
90487295	Defined_Atom_Stereo_Count	0
222154	Structure_Complexity	1070
441393	TPSA	235
20240	Undefined_Atom_Stereo_Count	0
10931397	Tautomer_Count	1
9961	XLogP3	0.9
72014	Structure_Complexity	485
129075411	Covalent_Unit_Count	1
65774	Rotatable_Bond_Count	1
16685015	Mono_Isotopic_Weight	533.77790
12210217	XLogP3-AA	1.3
17148	TPSA	0
8452	Structure_Complexity	58.3
9759	Covalent_Unit_Count	1
5022	Rotatable_Bond_Count	6
44555481	Mono_Isotopic_Weight	555.37845506
8150	Hydrogen_Bond_Donor_Count	0
533854	Rotatable_Bond_Count	3
58308035	Defined_Atom_Stereo_Count	0
65106	Mono_Isotopic_Weight	312.137496527
114644	Undefined_Atom_Stereo_Count	0
126961192	Undefined_Atom_Stereo_Count	0
162639102	Undefined_Atom_Stereo_Count	0
442	TPSA	182
142798	Isotope_Atom_Count	0
16258	Exact_Mass	163.026943022
11478	Rotatable_Bond_Count	2
60063	Exact_Mass	365.0942473
156616838	Exact_Mass	342.11621151
2722	TPSA	33.1
130165	Total_Formal_Charge	0
6427770	Hydrogen_Bond_Donor_Count	0
219	Structure_Complexity	121
11508600	Rotatable_Bond_Count	4
60529	Mono_Isotopic_Weight	281.1182566
498033	Hydrogen_Bond_Donor_Count	0
21277	Undefined_Bond_Stereo_Count	0
825921	Isotope_Atom_Count	0
23270355	Hydrogen_Bond_Donor_Count	1
85658	Structure_Complexity	494
66932	Rotatable_Bond_Count	19
10091748	Defined_Atom_Stereo_Count	0
54698175	Mono_Isotopic_Weight	542.17049376
129456	Undefined_Atom_Stereo_Count	2
139348436	Total_Formal_Charge	0
14280898	Hydrogen_Bond_Acceptor_Count	2
21719953	Total_Formal_Charge	0
3371	Defined_Atom_Stereo_Count	0
24005	Non-hydrogen_Atom_Count	8
19082030	Molecular_Weight	114.17
2570	Defined_Bond_Stereo_Count	0
138106991	Molecular_Weight	665.7
22160831	Undefined_Atom_Stereo_Count	1
6713428	Total_Formal_Charge	0
15568242	Structure_Complexity	62.7
12959039	Rotatable_Bond_Count	0
24860971	Undefined_Atom_Stereo_Count	0
55285553	Covalent_Unit_Count	1
447078	Undefined_Bond_Stereo_Count	0
4359436	Covalent_Unit_Count	1
126280	Isotope_Atom_Count	0
132779642	Molecular_Weight	457.4
101321425	TPSA	87
60960	Isotope_Atom_Count	0
5283078	Undefined_Bond_Stereo_Count	0
150310	XLogP3	1.4
18795105	Isotope_Atom_Count	0
2969	Hydrogen_Bond_Donor_Count	1
3760	Total_Formal_Charge	0
76216	Rotatable_Bond_Count	3
11263727	Isotope_Atom_Count	0
42626680	Exact_Mass	180.06338810
11749756	Rotatable_Bond_Count	10
274234	Defined_Atom_Stereo_Count	0
88273595	Mono_Isotopic_Weight	116.058577502
53885557	Mono_Isotopic_Weight	115.063328530
21879319	TPSA	55.4
2762834	Exact_Mass	113.027691913
46930997	Mono_Isotopic_Weight	317.152812238
10435654	Hydrogen_Bond_Acceptor_Count	3
18407	Molecular_Weight	130.14
6214	Isotope_Atom_Count	0
1265	Molecular_Weight	485.5
3085218	Non-hydrogen_Atom_Count	20
141070	Isotope_Atom_Count	0
57800	Undefined_Atom_Stereo_Count	0
14792	Rotatable_Bond_Count	0
25142309	XLogP3-AA	2.5
3343558	XLogP3-AA	0.7
90657410	Molecular_Weight	620.7
25138049	Rotatable_Bond_Count	5
73919	Undefined_Bond_Stereo_Count	0
154826	Exact_Mass	339.16708015
22137869	Covalent_Unit_Count	1
724	Tautomer_Count	1
39593	Undefined_Atom_Stereo_Count	0
123610	Isotope_Atom_Count	0
133562767	Defined_Atom_Stereo_Count	7
21448982	Isotope_Atom_Count	0
13371699	Non-hydrogen_Atom_Count	35
24848403	Hydrogen_Bond_Donor_Count	3
89127533	Molecular_Weight	115.13
3014955	Defined_Bond_Stereo_Count	0
3720856	Mono_Isotopic_Weight	202.04639011
73913	Hydrogen_Bond_Acceptor_Count	5
3686	Defined_Atom_Stereo_Count	0
68654	Molecular_Weight	481.4
19592	XLogP3-AA	4.9
9834591	TPSA	143
11963944	Mono_Isotopic_Weight	644.208591
11433190	Total_Formal_Charge	0
60196400	Mono_Isotopic_Weight	527.24539246
54682505	Structure_Complexity	558
136122	Tautomer_Count	1
53878449	Structure_Complexity	67.2
53983207	Defined_Atom_Stereo_Count	0
135612794	Defined_Atom_Stereo_Count	0
567118	Non-hydrogen_Atom_Count	7
1549073	Defined_Bond_Stereo_Count	0
89349947	Structure_Complexity	85.4
11446296	Hydrogen_Bond_Donor_Count	2
45484139	Total_Formal_Charge	0
11628328	Exact_Mass	566.23048886
12277625	Structure_Complexity	101
930	Exact_Mass	745.09110351
9793848	Defined_Atom_Stereo_Count	1
5150303	Total_Formal_Charge	0
548230	Undefined_Atom_Stereo_Count	5
135921797	Hydrogen_Bond_Donor_Count	7
700999	Rotatable_Bond_Count	2
44395161	Undefined_Bond_Stereo_Count	0
71116366	Non-hydrogen_Atom_Count	41
23974	Undefined_Bond_Stereo_Count	0
73759969	Non-hydrogen_Atom_Count	67
3017661	Defined_Atom_Stereo_Count	0
17117	Undefined_Atom_Stereo_Count	0
25897919	Tautomer_Count	1
81540	Defined_Bond_Stereo_Count	0
1202	Undefined_Bond_Stereo_Count	2
182677	Defined_Bond_Stereo_Count	0
141704	Defined_Bond_Stereo_Count	0
16219238	Defined_Bond_Stereo_Count	0
57782	Isotope_Atom_Count	0
51402807	Exact_Mass	464.09547607
85538176	Defined_Atom_Stereo_Count	0
135412736	Tautomer_Count	1
88089033	Molecular_Weight	100.16
32597	Structure_Complexity	290
25025505	Hydrogen_Bond_Donor_Count	0
445302	Undefined_Bond_Stereo_Count	0
134694829	Hydrogen_Bond_Acceptor_Count	11
5920	Undefined_Bond_Stereo_Count	0
5288223	Defined_Atom_Stereo_Count	1
1519487	Structure_Complexity	32.5
57973135	Defined_Atom_Stereo_Count	3
1621	Structure_Complexity	230
448718	Hydrogen_Bond_Acceptor_Count	8
1671	Defined_Atom_Stereo_Count	0
10176108	TPSA	66.5
129678293	TPSA	179
21470	Hydrogen_Bond_Donor_Count	0
12688299	Covalent_Unit_Count	1
8502	Structure_Complexity	193
96457	TPSA	112
23077956	Hydrogen_Bond_Donor_Count	3
2907	Non-hydrogen_Atom_Count	14
6435110	Hydrogen_Bond_Donor_Count	6
25005580	Total_Formal_Charge	0
169005	Defined_Atom_Stereo_Count	3
165906267	Mono_Isotopic_Weight	98.084398327
2394	Undefined_Atom_Stereo_Count	12
23677829	Hydrogen_Bond_Donor_Count	2
12319472	TPSA	9.2
90066559	Undefined_Atom_Stereo_Count	2
8992	Undefined_Bond_Stereo_Count	0
450601	Undefined_Atom_Stereo_Count	0
13889162	Defined_Atom_Stereo_Count	0
4043	Structure_Complexity	650
73759969	Defined_Bond_Stereo_Count	0
85554474	Hydrogen_Bond_Donor_Count	2
7512	Undefined_Atom_Stereo_Count	0
102446	Undefined_Atom_Stereo_Count	0
4808	Defined_Atom_Stereo_Count	0
104981	Non-hydrogen_Atom_Count	33
164667083	Defined_Atom_Stereo_Count	2
137224392	Covalent_Unit_Count	8
65991760	Undefined_Atom_Stereo_Count	0
69508	Non-hydrogen_Atom_Count	16
132274082	TPSA	279
30844	Molecular_Weight	362.5
5281764	Rotatable_Bond_Count	11
394397	Exact_Mass	265.01572689
1477065	Undefined_Atom_Stereo_Count	0
5301	Covalent_Unit_Count	1
123692	Undefined_Bond_Stereo_Count	0
11006	Rotatable_Bond_Count	13
67050	Rotatable_Bond_Count	0
81732	Total_Formal_Charge	0
155042170	Undefined_Bond_Stereo_Count	0
12510987	Hydrogen_Bond_Acceptor_Count	2
23421180	Defined_Atom_Stereo_Count	3
153939154	Covalent_Unit_Count	1
16659838	Defined_Atom_Stereo_Count	1
58221868	Undefined_Bond_Stereo_Count	0
19547	Undefined_Bond_Stereo_Count	0
13684981	Defined_Bond_Stereo_Count	0
19155	Structure_Complexity	25.5
101077	Tautomer_Count	1
12190	Defined_Bond_Stereo_Count	0
75564	Undefined_Atom_Stereo_Count	0
85456	Hydrogen_Bond_Acceptor_Count	6
166796	Isotope_Atom_Count	0
44427236	Defined_Atom_Stereo_Count	0
3037886	Molecular_Weight	231.33
14510	Isotope_Atom_Count	0
4611851	Non-hydrogen_Atom_Count	27
67704	Exact_Mass	104.063743068
27567	Tautomer_Count	1
182	Undefined_Atom_Stereo_Count	5
135532928	Non-hydrogen_Atom_Count	10
123922025	Non-hydrogen_Atom_Count	8
60956	Undefined_Atom_Stereo_Count	0
137092	Hydrogen_Bond_Donor_Count	0
71309905	Mono_Isotopic_Weight	181.06674293
41625	Hydrogen_Bond_Acceptor_Count	4
176	Molecular_Weight	60.05
3500	XLogP3-AA	2.9
21602045	Structure_Complexity	1490
92843	Defined_Atom_Stereo_Count	1
19338	Structure_Complexity	241
254598	Undefined_Bond_Stereo_Count	0
5466987	Molecular_Weight	435.4
90475112	Total_Formal_Charge	0
87481223	Defined_Atom_Stereo_Count	0
15981450	Hydrogen_Bond_Donor_Count	2
13207481	Mono_Isotopic_Weight	117.078978594
22082539	Hydrogen_Bond_Donor_Count	0
1701	Tautomer_Count	1
23535	Defined_Bond_Stereo_Count	0
78031	TPSA	94.9
548975	Molecular_Weight	98.14
160765	Hydrogen_Bond_Acceptor_Count	2
12263801	Mono_Isotopic_Weight	266.178298710
62329	XLogP3-AA	3.8
53316393	Hydrogen_Bond_Acceptor_Count	5
15677238	Total_Formal_Charge	0
42609791	Rotatable_Bond_Count	13
121710	Isotope_Atom_Count	0
4211	Covalent_Unit_Count	1
74	Tautomer_Count	60
79049	Hydrogen_Bond_Acceptor_Count	2
8843	TPSA	17.1
46879873	Defined_Bond_Stereo_Count	0
77907	Rotatable_Bond_Count	2
11415	Molecular_Weight	282.90
165701938	Defined_Bond_Stereo_Count	0
10457387	Undefined_Bond_Stereo_Count	0
55463	Total_Formal_Charge	0
5282109	Mono_Isotopic_Weight	182.130679813
14535399	Molecular_Weight	107.51
66726	Hydrogen_Bond_Acceptor_Count	3
74405857	Hydrogen_Bond_Acceptor_Count	9
49867704	Hydrogen_Bond_Donor_Count	2
5696	Undefined_Bond_Stereo_Count	0
11203271	Covalent_Unit_Count	1
68193	Structure_Complexity	261
5283737	TPSA	60.7
156907991	Non-hydrogen_Atom_Count	91
81056	Undefined_Bond_Stereo_Count	0
5702065	Non-hydrogen_Atom_Count	20
23690449	Molecular_Weight	506.86
37521	Rotatable_Bond_Count	4
48670	TPSA	39.2
137673	Rotatable_Bond_Count	4
136836	TPSA	17.8
6992089	Hydrogen_Bond_Donor_Count	2
9934	Total_Formal_Charge	0
7786	Hydrogen_Bond_Acceptor_Count	6
3272	Total_Formal_Charge	0
439356	Non-hydrogen_Atom_Count	15
9705	Isotope_Atom_Count	0
45488111	Mono_Isotopic_Weight	444.12093841
44925	Exact_Mass	341.1995809
274418	Undefined_Bond_Stereo_Count	0
86751	Molecular_Weight	158.28
5328017	Exact_Mass	222.090546336
10788	Undefined_Atom_Stereo_Count	0
10233356	Mono_Isotopic_Weight	657.19428341
160617	Isotope_Atom_Count	0
19100836	Structure_Complexity	32.9
135972	Hydrogen_Bond_Donor_Count	0
81472	Rotatable_Bond_Count	3
184819	Defined_Bond_Stereo_Count	0
3973	Defined_Atom_Stereo_Count	0
16092139	XLogP3-AA	3.3
129803162	Undefined_Atom_Stereo_Count	1
4722	TPSA	69.9
571982	Molecular_Weight	476.13
12430063	Mono_Isotopic_Weight	82.078250319
83763	Mono_Isotopic_Weight	156.151415257
16756754	Mono_Isotopic_Weight	478.24318459
71463896	Undefined_Bond_Stereo_Count	0
22082547	Hydrogen_Bond_Acceptor_Count	3
184830	Molecular_Weight	114.14
21539078	Structure_Complexity	61.2
45381640	Undefined_Atom_Stereo_Count	0
3047795	Total_Formal_Charge	0
2883813	Undefined_Atom_Stereo_Count	0
7772	Exact_Mass	144.115029749
7023411	Structure_Complexity	101
70542877	Molecular_Weight	97.08
17690	Isotope_Atom_Count	0
10895019	TPSA	60.7
132274075	Structure_Complexity	1450
3255344	Undefined_Atom_Stereo_Count	0
74952	Hydrogen_Bond_Acceptor_Count	0
54528335	Hydrogen_Bond_Acceptor_Count	3
58890069	Undefined_Bond_Stereo_Count	0
20140	Defined_Atom_Stereo_Count	0
6436	Exact_Mass	434.21046687
968498	Structure_Complexity	638
129864962	Mono_Isotopic_Weight	322.11398438
9841854	Covalent_Unit_Count	1
57417608	Hydrogen_Bond_Acceptor_Count	1
520	XLogP3-AA	2.4
9971980	Covalent_Unit_Count	2
16202184	Mono_Isotopic_Weight	384.15976871
7579	TPSA	61.3
5282108	TPSA	17.1
11286230	Exact_Mass	925.50349992
292103	Structure_Complexity	56
136880	Structure_Complexity	47.6
80710	Total_Formal_Charge	0
53763274	XLogP3-AA	2.4
3702	Exact_Mass	365.0600902
2341	Undefined_Atom_Stereo_Count	1
517827	Undefined_Bond_Stereo_Count	0
46976	Tautomer_Count	1
16682953	Defined_Bond_Stereo_Count	0
214273	Hydrogen_Bond_Acceptor_Count	2
23686132	Defined_Atom_Stereo_Count	0
91497	TPSA	9.2
10942334	Rotatable_Bond_Count	0
11869222	Covalent_Unit_Count	1
5744	Undefined_Atom_Stereo_Count	0
11029779	Defined_Bond_Stereo_Count	0
56965681	Undefined_Bond_Stereo_Count	0
98040	Hydrogen_Bond_Acceptor_Count	2
8106	Defined_Bond_Stereo_Count	0
16375	Structure_Complexity	48.1
3539116	Tautomer_Count	1
150762	Undefined_Atom_Stereo_Count	1
141959525	Hydrogen_Bond_Acceptor_Count	1
559	TPSA	81.5
23684339	Tautomer_Count	1
193720	Undefined_Bond_Stereo_Count	0
58438464	Defined_Bond_Stereo_Count	0
24984	Tautomer_Count	1
13226738	XLogP3-AA	1.4
72	Rotatable_Bond_Count	1
7118	Isotope_Atom_Count	0
16217327	Molecular_Weight	171.41
60155097	Defined_Bond_Stereo_Count	0
47294	Defined_Atom_Stereo_Count	0
3603	Defined_Bond_Stereo_Count	0
12664944	Isotope_Atom_Count	0
4185	Isotope_Atom_Count	0
67548	Tautomer_Count	1
55253258	Undefined_Atom_Stereo_Count	1
542158	Non-hydrogen_Atom_Count	34
10597	Undefined_Bond_Stereo_Count	0
40896	Molecular_Weight	310.29
54016283	Undefined_Bond_Stereo_Count	0
534471	Isotope_Atom_Count	0
9546757	Hydrogen_Bond_Acceptor_Count	9
94866	Structure_Complexity	311
53803	Molecular_Weight	314.8
523254	Isotope_Atom_Count	0
66684136	Defined_Atom_Stereo_Count	1
117188816	XLogP3-AA	0.3
2277	Total_Formal_Charge	0
454	XLogP3-AA	2.7
60196304	XLogP3-AA	4.2
45875	Defined_Bond_Stereo_Count	0
54020983	Mono_Isotopic_Weight	126.104465066
21583979	Rotatable_Bond_Count	0
12948	TPSA	129
57399125	Defined_Bond_Stereo_Count	0
66673773	Rotatable_Bond_Count	0
56840781	Rotatable_Bond_Count	0
14536435	Isotope_Atom_Count	0
961	Structure_Complexity	0
5959	Undefined_Bond_Stereo_Count	0
444254	Rotatable_Bond_Count	9
19212	Total_Formal_Charge	0
3497	Isotope_Atom_Count	0
75472	Hydrogen_Bond_Donor_Count	1
24181099	Exact_Mass	490.99433960
90472762	Isotope_Atom_Count	2
119307	Undefined_Bond_Stereo_Count	0
6433892	Covalent_Unit_Count	1
14529	Undefined_Atom_Stereo_Count	0
124745612	Defined_Atom_Stereo_Count	10
536086	Undefined_Atom_Stereo_Count	0
11505444	Structure_Complexity	996
64737	TPSA	32.3
45934481	Undefined_Bond_Stereo_Count	0
591200	Total_Formal_Charge	0
371	Covalent_Unit_Count	1
69095	Hydrogen_Bond_Acceptor_Count	6
139243813	Non-hydrogen_Atom_Count	6
2078	Undefined_Bond_Stereo_Count	0
99435	TPSA	81
76318	Defined_Atom_Stereo_Count	0
520108	Tautomer_Count	2
165880629	Defined_Bond_Stereo_Count	0
6602154	Structure_Complexity	457
129629038	Exact_Mass	181.06674293
135347950	Defined_Atom_Stereo_Count	0
123975350	TPSA	3
13144653	Mono_Isotopic_Weight	98.048012819
751341	Molecular_Weight	301.29
157455	Tautomer_Count	1
9859094	Exact_Mass	204.187800766
65513	Isotope_Atom_Count	0
12874682	Defined_Bond_Stereo_Count	0
6440	Molecular_Weight	118.17
24750	Tautomer_Count	1
18698	Rotatable_Bond_Count	3
158797	Defined_Atom_Stereo_Count	1
57401296	Structure_Complexity	614
14109	Undefined_Bond_Stereo_Count	0
497698	Molecular_Weight	411.3
10937607	Non-hydrogen_Atom_Count	8
55008	Tautomer_Count	1
9805	Covalent_Unit_Count	1
12209481	Non-hydrogen_Atom_Count	7
54285331	Total_Formal_Charge	0
146199	Undefined_Atom_Stereo_Count	0
82273	Total_Formal_Charge	0
15174357	Defined_Atom_Stereo_Count	0
23978	Defined_Atom_Stereo_Count	0
23689980	Molecular_Weight	118.09
13813928	Total_Formal_Charge	0
25263414	Undefined_Atom_Stereo_Count	0
21809017	Structure_Complexity	116
535532	Undefined_Bond_Stereo_Count	0
93002	Undefined_Bond_Stereo_Count	0
6419941	Structure_Complexity	340
48346	Non-hydrogen_Atom_Count	15
2762864	Total_Formal_Charge	0
101175466	Defined_Atom_Stereo_Count	0
51701	Isotope_Atom_Count	0
70040	Covalent_Unit_Count	1
11940	Molecular_Weight	180.24
25094902	Molecular_Weight	415.4
14969	Mono_Isotopic_Weight	1447.4301997
137783	XLogP3-AA	0.5
24978538	XLogP3-AA	9.6
694466	Mono_Isotopic_Weight	309.14370410
66827	Hydrogen_Bond_Acceptor_Count	2
5152771	Exact_Mass	113.084063974
78874	Isotope_Atom_Count	0
530132	Covalent_Unit_Count	1
129873330	Molecular_Weight	98.10
6419921	Rotatable_Bond_Count	3
13792437	Undefined_Bond_Stereo_Count	0
85743571	Undefined_Bond_Stereo_Count	0
60196433	Molecular_Weight	894.0
289847	Exact_Mass	160.074896272
97226	Covalent_Unit_Count	1
854023	Hydrogen_Bond_Acceptor_Count	2
89456730	Hydrogen_Bond_Donor_Count	1
89424182	Undefined_Atom_Stereo_Count	3
5282761	Undefined_Bond_Stereo_Count	0
11974213	Isotope_Atom_Count	0
6453851	Total_Formal_Charge	1
135431668	Undefined_Atom_Stereo_Count	1
14619589	Undefined_Atom_Stereo_Count	0
141886129	Covalent_Unit_Count	1
6113	Undefined_Bond_Stereo_Count	0
45109807	Isotope_Atom_Count	0
133066	Hydrogen_Bond_Acceptor_Count	2
55290981	Hydrogen_Bond_Acceptor_Count	3
24860538	Defined_Atom_Stereo_Count	4
24946456	Defined_Atom_Stereo_Count	0
6805	Mono_Isotopic_Weight	237.935512
71449859	Undefined_Bond_Stereo_Count	0
14465	TPSA	23.6
31235	Molecular_Weight	137.18
60056	Rotatable_Bond_Count	7
443445	Isotope_Atom_Count	0
98365	Exact_Mass	172.063662883
21226398	Hydrogen_Bond_Acceptor_Count	3
6443047	Molecular_Weight	128.21
905	Hydrogen_Bond_Donor_Count	2
694856	Exact_Mass	309.94116
133568445	Isotope_Atom_Count	0
57358782	Undefined_Atom_Stereo_Count	0
115227	TPSA	70.2
164825	Molecular_Weight	534.4
57869404	Non-hydrogen_Atom_Count	8
67247849	Undefined_Bond_Stereo_Count	0
443879	Defined_Atom_Stereo_Count	1
75057	Undefined_Atom_Stereo_Count	0
442504	Undefined_Atom_Stereo_Count	0
126667515	Undefined_Bond_Stereo_Count	0
4823	Mono_Isotopic_Weight	334.14297583
897473	Hydrogen_Bond_Donor_Count	2
24868270	XLogP3-AA	3.7
513956	XLogP3-AA	4.7
119083374	Undefined_Bond_Stereo_Count	0
21264914	Hydrogen_Bond_Donor_Count	1
3963	Defined_Atom_Stereo_Count	0
443042	Rotatable_Bond_Count	4
1551553	TPSA	74.6
82717	Non-hydrogen_Atom_Count	22
73005	Total_Formal_Charge	0
80971	Total_Formal_Charge	0
16106825	Mono_Isotopic_Weight	108.057514874
533662	Mono_Isotopic_Weight	84.057514874
54151808	Total_Formal_Charge	0
146571	TPSA	111
21718278	Structure_Complexity	137
25195294	Exact_Mass	406.19059473
5527	Non-hydrogen_Atom_Count	24
131287	Undefined_Bond_Stereo_Count	0
121235090	Hydrogen_Bond_Acceptor_Count	11
51347395	Molecular_Weight	415.33
25386	Exact_Mass	317.1546421
21450	Hydrogen_Bond_Acceptor_Count	3
135398515	Mono_Isotopic_Weight	317.01803556
22464	Hydrogen_Bond_Acceptor_Count	2
165880629	Mono_Isotopic_Weight	110.048012819
129317883	Covalent_Unit_Count	1
550179	Hydrogen_Bond_Donor_Count	0
456058	Hydrogen_Bond_Acceptor_Count	8
5147171	Defined_Atom_Stereo_Count	1
6918486	Tautomer_Count	1001
276561	Isotope_Atom_Count	0
9604	Covalent_Unit_Count	1
9537	Hydrogen_Bond_Donor_Count	0
95162202	Exact_Mass	342.11621151
21604850	TPSA	23.8
65474	Mono_Isotopic_Weight	338.1583477
5798	Molecular_Weight	118.14
441856	Tautomer_Count	1
24848343	Mono_Isotopic_Weight	254.0267192
23163355	Defined_Atom_Stereo_Count	0
21932698	Exact_Mass	186.161979940
76223135	Rotatable_Bond_Count	0
28754	Non-hydrogen_Atom_Count	31
90479276	Undefined_Atom_Stereo_Count	2
451156	Undefined_Bond_Stereo_Count	0
3083671	Rotatable_Bond_Count	3
153683405	Exact_Mass	97.089149355
564632	Hydrogen_Bond_Acceptor_Count	2
101694728	Total_Formal_Charge	0
973938	XLogP3-AA	2
12200971	Undefined_Bond_Stereo_Count	0
7808	Mono_Isotopic_Weight	171.95238
491728	Hydrogen_Bond_Donor_Count	1
28260009	Tautomer_Count	1
137997	Hydrogen_Bond_Acceptor_Count	0
17113	Undefined_Bond_Stereo_Count	0
11428	Mono_Isotopic_Weight	88.088815002
9898279	Defined_Bond_Stereo_Count	0
9795434	Molecular_Weight	270.35
164675904	TPSA	37.4
19845539	Rotatable_Bond_Count	0
641496	Structure_Complexity	81.8
6273649	Hydrogen_Bond_Acceptor_Count	4
5324720	Hydrogen_Bond_Donor_Count	1
6918852	Hydrogen_Bond_Acceptor_Count	11
164668700	Covalent_Unit_Count	1
62859	Covalent_Unit_Count	3
67989199	Undefined_Bond_Stereo_Count	0
153031243	Total_Formal_Charge	0
55614	Undefined_Atom_Stereo_Count	2
351917	Mono_Isotopic_Weight	198.0018471
20062980	Defined_Atom_Stereo_Count	0
17882722	Rotatable_Bond_Count	0
5315472	Total_Formal_Charge	0
97823	Molecular_Weight	99.13
11674	Hydrogen_Bond_Acceptor_Count	2
5702077	Total_Formal_Charge	0
4276	TPSA	27.7
23170707	Rotatable_Bond_Count	1
4284331	Defined_Atom_Stereo_Count	0
190818	Hydrogen_Bond_Acceptor_Count	10
15808	Exact_Mass	206.167065321
4066	TPSA	31.8
55303612	Total_Formal_Charge	0
140738	Molecular_Weight	114.19
112711232	Total_Formal_Charge	0
57515	Molecular_Weight	599.5
7923	Undefined_Atom_Stereo_Count	0
123899588	TPSA	0
10102	Rotatable_Bond_Count	0
5282438	Structure_Complexity	1060
87105125	Hydrogen_Bond_Acceptor_Count	2
151148	Tautomer_Count	4
76783	Defined_Atom_Stereo_Count	0
16129704	Rotatable_Bond_Count	67
100472	Undefined_Atom_Stereo_Count	0
54077736	Non-hydrogen_Atom_Count	7
10047003	Non-hydrogen_Atom_Count	28
854150	Defined_Bond_Stereo_Count	0
3814068	Covalent_Unit_Count	1
23332	Hydrogen_Bond_Acceptor_Count	5
122174048	Defined_Atom_Stereo_Count	0
119097490	Hydrogen_Bond_Acceptor_Count	2
6922	Structure_Complexity	132
15413224	Non-hydrogen_Atom_Count	8
7149	Non-hydrogen_Atom_Count	10
88705	Mono_Isotopic_Weight	135.104799419
70103	Rotatable_Bond_Count	0
40279	Undefined_Atom_Stereo_Count	0
20654321	Undefined_Bond_Stereo_Count	0
6521	TPSA	68.2
123585399	Mono_Isotopic_Weight	97.052763847
590907	Rotatable_Bond_Count	0
14195	Hydrogen_Bond_Acceptor_Count	2
71210615	Structure_Complexity	382
2734411	Molecular_Weight	787.4
23435	Tautomer_Count	1
12471321	Molecular_Weight	111.18
12095229	Exact_Mass	236.08307817
6619879	Total_Formal_Charge	0
13609	Non-hydrogen_Atom_Count	8
821327	Non-hydrogen_Atom_Count	22
21987711	Rotatable_Bond_Count	3
17235	Exact_Mass	310.287180451
34461	Structure_Complexity	295
44590445	Hydrogen_Bond_Acceptor_Count	6
53315110	Mono_Isotopic_Weight	271.1213306
87438804	Rotatable_Bond_Count	3
22246713	Total_Formal_Charge	0
154562176	Hydrogen_Bond_Acceptor_Count	149
104822	Exact_Mass	81.057849228
74828	TPSA	20.2
13728	Hydrogen_Bond_Acceptor_Count	1
88729	Undefined_Atom_Stereo_Count	0
30771	Covalent_Unit_Count	1
527526	Hydrogen_Bond_Acceptor_Count	0
91593552	Defined_Atom_Stereo_Count	0
69994	Molecular_Weight	156.61
66094	Defined_Atom_Stereo_Count	0
11207	Total_Formal_Charge	0
7841	Hydrogen_Bond_Acceptor_Count	0
15047014	Undefined_Atom_Stereo_Count	2
20571541	Hydrogen_Bond_Donor_Count	1
282471	Tautomer_Count	3
14151226	TPSA	20.3
67569543	Covalent_Unit_Count	1
19835376	Mono_Isotopic_Weight	97.052763847
448126	Isotope_Atom_Count	0
124426477	Undefined_Bond_Stereo_Count	0
87605	Defined_Bond_Stereo_Count	0
137997	Rotatable_Bond_Count	3
721310	Covalent_Unit_Count	1
85912645	Mono_Isotopic_Weight	98.036779430
67495	Undefined_Atom_Stereo_Count	0
23664054	Total_Formal_Charge	0
3086686	XLogP3-AA	2.6
54285963	Structure_Complexity	198
22961298	Isotope_Atom_Count	0
13867380	Exact_Mass	113.00884817
3048339	Exact_Mass	231.162314293
672296	Isotope_Atom_Count	0
53249784	Hydrogen_Bond_Donor_Count	1
6887	XLogP3-AA	4.4
5280633	Covalent_Unit_Count	1
20162	Undefined_Atom_Stereo_Count	1
24978514	TPSA	164
19917	Covalent_Unit_Count	1
20689	Tautomer_Count	1
71311215	Non-hydrogen_Atom_Count	24
66532	Defined_Atom_Stereo_Count	0
3336	TPSA	12
6563	Covalent_Unit_Count	1
60374	Undefined_Bond_Stereo_Count	0
240	Defined_Bond_Stereo_Count	0
10725321	Rotatable_Bond_Count	2
38759	Tautomer_Count	3
7304	TPSA	4.9
73480	Isotope_Atom_Count	0
91826865	Non-hydrogen_Atom_Count	12
77828	Defined_Bond_Stereo_Count	0
2794666	TPSA	58.6
5326637	Molecular_Weight	273.20
70333	Molecular_Weight	170.25
104865	Structure_Complexity	839
10887857	Covalent_Unit_Count	1
13009	Tautomer_Count	1
138979	XLogP3-AA	0.9
24955	Tautomer_Count	3
89646	Exact_Mass	204.05349212
13262524	Mono_Isotopic_Weight	108.068748264
10176670	XLogP3-AA	2.2
77832	Hydrogen_Bond_Acceptor_Count	3
152445	Rotatable_Bond_Count	1
6328154	Mono_Isotopic_Weight	263.07428675
980	Mono_Isotopic_Weight	139.026943022
24181320	Hydrogen_Bond_Donor_Count	3
2741000	Undefined_Atom_Stereo_Count	0
91607189	Undefined_Atom_Stereo_Count	1
664081	Total_Formal_Charge	0
74695	Rotatable_Bond_Count	0
3361	Undefined_Bond_Stereo_Count	0
15657508	Undefined_Bond_Stereo_Count	0
72187527	TPSA	101
18218195	Undefined_Bond_Stereo_Count	0
11543	Structure_Complexity	48.1
123455	Molecular_Weight	75.04
91754	Undefined_Bond_Stereo_Count	0
27903	Total_Formal_Charge	0
78431	Exact_Mass	239.09799996
91003779	Undefined_Atom_Stereo_Count	4
135484646	Isotope_Atom_Count	0
26928	Defined_Bond_Stereo_Count	0
4449	Mono_Isotopic_Weight	469.2244530
43834223	Rotatable_Bond_Count	6
66813914	TPSA	95.5
9812645	Tautomer_Count	1001
9128	Defined_Bond_Stereo_Count	0
23282906	Undefined_Atom_Stereo_Count	2
247302	Exact_Mass	473.402150631
21124389	Hydrogen_Bond_Acceptor_Count	4
44513473	Covalent_Unit_Count	1
720493	TPSA	55.1
135718467	Undefined_Bond_Stereo_Count	0
11181836	Hydrogen_Bond_Donor_Count	0
628202	Hydrogen_Bond_Acceptor_Count	10
71456995	Hydrogen_Bond_Acceptor_Count	16
72078	Defined_Atom_Stereo_Count	7
15024257	Isotope_Atom_Count	0
154518019	Exact_Mass	82.053098200
47641	Hydrogen_Bond_Acceptor_Count	1
44358405	Molecular_Weight	302.8
9958995	Mono_Isotopic_Weight	541.33044224
53232451	Undefined_Atom_Stereo_Count	0
9805635	Covalent_Unit_Count	1
305569	Total_Formal_Charge	0
6917864	Mono_Isotopic_Weight	384.17841785
13546	Hydrogen_Bond_Acceptor_Count	2
12248556	Rotatable_Bond_Count	4
59874134	Hydrogen_Bond_Acceptor_Count	1
129635186	Structure_Complexity	955
101194	Molecular_Weight	113.16
10537	Defined_Bond_Stereo_Count	0
71583377	Undefined_Atom_Stereo_Count	0
14079973	Hydrogen_Bond_Acceptor_Count	3
14274724	Mono_Isotopic_Weight	351.042043
656609	Mono_Isotopic_Weight	477.21832559
6918091	Isotope_Atom_Count	0
23643976	Defined_Atom_Stereo_Count	2
6609	Defined_Bond_Stereo_Count	0
66612869	Hydrogen_Bond_Acceptor_Count	1
45157475	Structure_Complexity	1010
10026007	Exact_Mass	435.1594699
3959	Covalent_Unit_Count	1
3731	Molecular_Weight	777.1
53315588	Structure_Complexity	1210
89456730	Covalent_Unit_Count	1
122074	Rotatable_Bond_Count	0
136159800	Exact_Mass	110.02286070
375527	Undefined_Atom_Stereo_Count	2
25246316	Hydrogen_Bond_Donor_Count	5
135436543	Rotatable_Bond_Count	2
5672	Exact_Mass	778.39416469
9571080	TPSA	238
612	Non-hydrogen_Atom_Count	6
20062226	Defined_Bond_Stereo_Count	0
12048	Molecular_Weight	100.20
443457	Defined_Atom_Stereo_Count	7
101926676	Molecular_Weight	332.31
76539	Tautomer_Count	1
60947	Hydrogen_Bond_Donor_Count	3
10688007	Hydrogen_Bond_Acceptor_Count	4
17835	Non-hydrogen_Atom_Count	11
14343599	Exact_Mass	113.02992040
57465876	Defined_Bond_Stereo_Count	0
123298786	Covalent_Unit_Count	1
9794197	Rotatable_Bond_Count	3
44581145	Molecular_Weight	476.9
59464331	Molecular_Weight	438.5
2761815	Hydrogen_Bond_Donor_Count	2
64824	Undefined_Bond_Stereo_Count	0
10134310	Structure_Complexity	460
5603	Rotatable_Bond_Count	4
12599323	Molecular_Weight	104.15
24595	Tautomer_Count	1
453915	Rotatable_Bond_Count	1
159603835	Non-hydrogen_Atom_Count	8
176595	Exact_Mass	616.04674
21023677	Molecular_Weight	114.19
6427135	Molecular_Weight	170.32
5859	Defined_Bond_Stereo_Count	0
32438	Undefined_Atom_Stereo_Count	1
23700091	Molecular_Weight	224.30
54675758	Covalent_Unit_Count	1
73949	Undefined_Bond_Stereo_Count	0
1665	Mono_Isotopic_Weight	292.276615768
27756	Tautomer_Count	1
14041489	Undefined_Atom_Stereo_Count	2
54130	Covalent_Unit_Count	1
53928139	Defined_Atom_Stereo_Count	0
156580481	Total_Formal_Charge	0
56436	Hydrogen_Bond_Donor_Count	0
3366298	Undefined_Atom_Stereo_Count	0
6018	Rotatable_Bond_Count	4
22182	Covalent_Unit_Count	3
11789342	Isotope_Atom_Count	0
95946	Defined_Bond_Stereo_Count	0
278711	Structure_Complexity	690
11051814	Hydrogen_Bond_Donor_Count	0
3894	Hydrogen_Bond_Acceptor_Count	7
459494	Defined_Bond_Stereo_Count	0
17776820	Defined_Bond_Stereo_Count	0
89019320	Hydrogen_Bond_Donor_Count	1
51021	TPSA	62.9
89493247	Undefined_Bond_Stereo_Count	0
140789	Undefined_Atom_Stereo_Count	0
5056739	Rotatable_Bond_Count	4
13831	Isotope_Atom_Count	0
9883104	Undefined_Atom_Stereo_Count	0
11568	Covalent_Unit_Count	1
163501159	Defined_Atom_Stereo_Count	0
143714846	Undefined_Bond_Stereo_Count	0
854019	Isotope_Atom_Count	0
23668817	Total_Formal_Charge	0
66609526	Hydrogen_Bond_Donor_Count	1
7852	Structure_Complexity	7.2
2998624	XLogP3-AA	2.5
5280531	Undefined_Atom_Stereo_Count	0
21325321	Mono_Isotopic_Weight	101.084063974
27891	Defined_Atom_Stereo_Count	0
11693896	Covalent_Unit_Count	1
11241	Isotope_Atom_Count	0
5497105	Exact_Mass	447.17015238
4199	Structure_Complexity	316
8556	Non-hydrogen_Atom_Count	21
59295925	Covalent_Unit_Count	1
56929801	Undefined_Bond_Stereo_Count	0
14305	Isotope_Atom_Count	0
18992283	Defined_Atom_Stereo_Count	0
12480891	Structure_Complexity	91.2
448011	Undefined_Bond_Stereo_Count	0
3848	Mono_Isotopic_Weight	166.062994177
67564795	Undefined_Bond_Stereo_Count	0
9958995	Structure_Complexity	1310
123359989	Molecular_Weight	114.10
14989	Undefined_Bond_Stereo_Count	0
69332685	Covalent_Unit_Count	1
25201794	Non-hydrogen_Atom_Count	25
91902981	Covalent_Unit_Count	1
62398142	Molecular_Weight	110.16
40646768	Hydrogen_Bond_Acceptor_Count	3
73111	Hydrogen_Bond_Acceptor_Count	20
17162	Hydrogen_Bond_Donor_Count	0
44338970	Molecular_Weight	485.6
21702831	Hydrogen_Bond_Acceptor_Count	1
94297	Molecular_Weight	100.12
24917007	Mono_Isotopic_Weight	220.15488318
14714336	Defined_Atom_Stereo_Count	0
15864840	Isotope_Atom_Count	0
69016240	Structure_Complexity	229
940892	Molecular_Weight	272.26
1858	Rotatable_Bond_Count	4
60840	Rotatable_Bond_Count	4
146474256	Molecular_Weight	100.12
6438712	Total_Formal_Charge	0
38693	XLogP3-AA	0.7
66991	Total_Formal_Charge	0
53656122	Defined_Atom_Stereo_Count	1
18377249	Isotope_Atom_Count	0
22016536	Mono_Isotopic_Weight	424.25733687
520527	Mono_Isotopic_Weight	80.062600255
45238	Structure_Complexity	317
87815038	Undefined_Atom_Stereo_Count	0
655797	XLogP3-AA	1.8
439352	Hydrogen_Bond_Acceptor_Count	4
3315	Mono_Isotopic_Weight	872.05463428
25435	Structure_Complexity	721
91825716	Hydrogen_Bond_Donor_Count	0
71624686	Hydrogen_Bond_Acceptor_Count	4
636396	Hydrogen_Bond_Donor_Count	13
67940	Undefined_Bond_Stereo_Count	0
6540478	Hydrogen_Bond_Acceptor_Count	4
11263488	TPSA	32.3
458186	TPSA	57.5
131270	Hydrogen_Bond_Donor_Count	0
6277	Undefined_Bond_Stereo_Count	0
57090177	Undefined_Atom_Stereo_Count	0
2752648	Isotope_Atom_Count	0
9820186	TPSA	96.6
23278143	Non-hydrogen_Atom_Count	19
1097	TPSA	347
101019202	Non-hydrogen_Atom_Count	29
141093	Non-hydrogen_Atom_Count	6
25023858	Mono_Isotopic_Weight	468.25252628
3357	Undefined_Bond_Stereo_Count	0
40302	Structure_Complexity	146
20652765	XLogP3-AA	1.1
5276614	XLogP3-AA	8.4
160577	Molecular_Weight	373.38
135512673	Rotatable_Bond_Count	5
12210512	Non-hydrogen_Atom_Count	6
140554	Defined_Atom_Stereo_Count	0
6999987	Exact_Mass	102.104465066
22208	TPSA	41.1
8837	Exact_Mass	346.23553880
23688976	Exact_Mass	229.07485883
6450232	Molecular_Weight	373.4
23471	TPSA	32.7
5460135	Undefined_Bond_Stereo_Count	0
139084363	Undefined_Atom_Stereo_Count	0
12209629	Undefined_Bond_Stereo_Count	0
331531	TPSA	83.6
70235	Hydrogen_Bond_Donor_Count	1
12905357	Undefined_Bond_Stereo_Count	0
55290826	Structure_Complexity	155
90078292	Isotope_Atom_Count	0
91981561	Hydrogen_Bond_Donor_Count	3
6857447	Covalent_Unit_Count	1
15140308	Undefined_Bond_Stereo_Count	0
81766	Tautomer_Count	1
146461	Undefined_Atom_Stereo_Count	0
208924	Defined_Atom_Stereo_Count	1
21625926	Undefined_Bond_Stereo_Count	0
12382883	Mono_Isotopic_Weight	213.10481667
589116	Hydrogen_Bond_Acceptor_Count	3
135410875	Exact_Mass	427.14918341
5460797	Exact_Mass	118.050418117
65715	Hydrogen_Bond_Acceptor_Count	3
53932534	Hydrogen_Bond_Donor_Count	1
19366304	Rotatable_Bond_Count	7
67718	Isotope_Atom_Count	0
131842090	Covalent_Unit_Count	4
72160	Undefined_Atom_Stereo_Count	0
45358084	Total_Formal_Charge	0
1045	Defined_Atom_Stereo_Count	0
5013	Mono_Isotopic_Weight	227.142247555
11592	Molecular_Weight	114.23
71363036	Exact_Mass	801.34907
6433169	Mono_Isotopic_Weight	187.0763918
56620275	Hydrogen_Bond_Acceptor_Count	1
50099	Exact_Mass	325.880439
5282227	Hydrogen_Bond_Acceptor_Count	7
18950548	Undefined_Bond_Stereo_Count	0
13092476	Non-hydrogen_Atom_Count	8
25010775	Hydrogen_Bond_Donor_Count	3
139171223	Non-hydrogen_Atom_Count	47
12580406	Total_Formal_Charge	0
16678941	Hydrogen_Bond_Acceptor_Count	8
101059324	Hydrogen_Bond_Donor_Count	0
509864	Molecular_Weight	437.6
5364714	XLogP3-AA	5.9
736	Defined_Bond_Stereo_Count	0
75789	Non-hydrogen_Atom_Count	11
12409173	Covalent_Unit_Count	1
5780	Structure_Complexity	105
1795	Molecular_Weight	299.76
9883509	Undefined_Atom_Stereo_Count	0
449015	Isotope_Atom_Count	0
13863534	Isotope_Atom_Count	0
1549133	Undefined_Atom_Stereo_Count	0
8474	Hydrogen_Bond_Donor_Count	2
7716	Exact_Mass	218.203450829
4274588	Hydrogen_Bond_Acceptor_Count	4
5281810	Tautomer_Count	10
657250	Mono_Isotopic_Weight	665.30474055
37612	Isotope_Atom_Count	0
37248	Exact_Mass	291.919411
53746047	Structure_Complexity	134
91697	Molecular_Weight	163.22
21357280	Covalent_Unit_Count	1
44193577	TPSA	69.7
2795218	Hydrogen_Bond_Donor_Count	1
44352909	TPSA	105
49865496	Undefined_Bond_Stereo_Count	0
84682	Structure_Complexity	19.6
3017320	Defined_Bond_Stereo_Count	0
5978	Structure_Complexity	1750
4247	Isotope_Atom_Count	0
141779543	Exact_Mass	98.073164938
54031007	Non-hydrogen_Atom_Count	7
29982856	Total_Formal_Charge	0
39176	Total_Formal_Charge	0
7668	Total_Formal_Charge	0
151726	Non-hydrogen_Atom_Count	9
226147	Exact_Mass	242.094294304
13521	Rotatable_Bond_Count	9
12245594	Exact_Mass	92.062600255
50360	Hydrogen_Bond_Donor_Count	0
42470	Non-hydrogen_Atom_Count	25
821645	Exact_Mass	238.01222190
114426	Mono_Isotopic_Weight	114.068079557
10197665	Defined_Atom_Stereo_Count	0
68617	Hydrogen_Bond_Donor_Count	1
87255468	TPSA	229
3086618	Undefined_Atom_Stereo_Count	0
12502754	Defined_Atom_Stereo_Count	0
10384141	Non-hydrogen_Atom_Count	27
7154	Isotope_Atom_Count	0
3086428	Undefined_Atom_Stereo_Count	1
8182	Hydrogen_Bond_Acceptor_Count	0
11019447	Undefined_Atom_Stereo_Count	1
9271	Exact_Mass	411.771136
17980829	Defined_Bond_Stereo_Count	0
443831	Exact_Mass	513.16349606
81936	Covalent_Unit_Count	1
3326	Undefined_Bond_Stereo_Count	0
6525	Defined_Atom_Stereo_Count	0
3034048	Hydrogen_Bond_Acceptor_Count	5
97815	Rotatable_Bond_Count	2
719044	Total_Formal_Charge	0
140979362	Non-hydrogen_Atom_Count	7
96462	Mono_Isotopic_Weight	235.157228913
648	Undefined_Bond_Stereo_Count	0
53396029	Structure_Complexity	712
38883	Covalent_Unit_Count	1
56842231	Exact_Mass	1140.59812858
21024469	Structure_Complexity	117
44550483	Non-hydrogen_Atom_Count	11
30858	Exact_Mass	152.06023127
8219	TPSA	26
112932	Non-hydrogen_Atom_Count	29
88525	Mono_Isotopic_Weight	487.720045
8674	Mono_Isotopic_Weight	303.97114494
140196487	Molecular_Weight	109.13
83191	Covalent_Unit_Count	1
117979204	Undefined_Atom_Stereo_Count	2
13166771	Hydrogen_Bond_Donor_Count	0
69995962	Non-hydrogen_Atom_Count	6
16058881	Isotope_Atom_Count	0
156375	Covalent_Unit_Count	1
53835225	Undefined_Bond_Stereo_Count	0
16219049	Structure_Complexity	869
71373	TPSA	88.6
571973	Undefined_Atom_Stereo_Count	0
5164	Defined_Atom_Stereo_Count	0
4172	Isotope_Atom_Count	0
24884776	Undefined_Bond_Stereo_Count	0
11858153	Structure_Complexity	423
56840896	Structure_Complexity	492
64594	Structure_Complexity	562
79319	Hydrogen_Bond_Donor_Count	0
64980	Defined_Bond_Stereo_Count	0
96543	Undefined_Bond_Stereo_Count	0
178103	Non-hydrogen_Atom_Count	37
131968259	Rotatable_Bond_Count	3
15942716	Covalent_Unit_Count	2
2531445	Hydrogen_Bond_Acceptor_Count	6
1544	Molecular_Weight	853.6
20490762	Mono_Isotopic_Weight	122.00376522
1516506	Defined_Bond_Stereo_Count	0
68072	Hydrogen_Bond_Acceptor_Count	4
18641	Hydrogen_Bond_Acceptor_Count	4
16375	XLogP3	0.3
72862	Covalent_Unit_Count	1
198140	Exact_Mass	215.105862047
104775	Defined_Bond_Stereo_Count	0
122372098	Covalent_Unit_Count	1
6477715	Covalent_Unit_Count	2
79680	Mono_Isotopic_Weight	119.9978071
34549	Tautomer_Count	2
12962871	Undefined_Atom_Stereo_Count	1
118585331	Covalent_Unit_Count	1
30692	XLogP3	3.1
4714	Mono_Isotopic_Weight	496.39164552
984396	Defined_Bond_Stereo_Count	0
76960246	Structure_Complexity	367
18002315	Total_Formal_Charge	0
853561	Covalent_Unit_Count	1
44430313	Total_Formal_Charge	0
683563	Tautomer_Count	2
20024	Rotatable_Bond_Count	1
3803614	Defined_Atom_Stereo_Count	0
118855887	Exact_Mass	181.06674293
140473289	Hydrogen_Bond_Acceptor_Count	12
13761352	Hydrogen_Bond_Donor_Count	0
135465076	Covalent_Unit_Count	2
104778	Defined_Atom_Stereo_Count	2
5497174	Mono_Isotopic_Weight	467.20677847
43366	Undefined_Bond_Stereo_Count	0
558148	Exact_Mass	98.084398327
69550	Covalent_Unit_Count	1
132305	Hydrogen_Bond_Acceptor_Count	7
8765	XLogP3	2.2
16202184	Undefined_Atom_Stereo_Count	0
533460	Undefined_Bond_Stereo_Count	0
92326	Rotatable_Bond_Count	3
9900	Defined_Atom_Stereo_Count	0
44176380	Undefined_Atom_Stereo_Count	0
90728924	Defined_Bond_Stereo_Count	0
5977	Total_Formal_Charge	0
19208	Covalent_Unit_Count	1
61141	Defined_Atom_Stereo_Count	0
549405	Molecular_Weight	111.14
135911835	Undefined_Bond_Stereo_Count	0
92400	Non-hydrogen_Atom_Count	29
97747	Non-hydrogen_Atom_Count	18
133621	Structure_Complexity	275
5330472	Molecular_Weight	365.4
21262	Total_Formal_Charge	0
62709	Tautomer_Count	1
135643052	TPSA	91.2
54231313	Undefined_Bond_Stereo_Count	0
5281120	Defined_Atom_Stereo_Count	0
19462	TPSA	13.1
1005	Exact_Mass	167.98237487
75171	Hydrogen_Bond_Donor_Count	1
11883891	Tautomer_Count	1
57392505	Molecular_Weight	463.5
56834265	Undefined_Atom_Stereo_Count	1
135935707	Structure_Complexity	276
76902	Rotatable_Bond_Count	6
35360	Structure_Complexity	157
9394	XLogP3-AA	5.7
54120934	Structure_Complexity	67.2
135398592	Non-hydrogen_Atom_Count	19
163143	Non-hydrogen_Atom_Count	32
5991	Structure_Complexity	505
535545	Molecular_Weight	85.15
57371080	Hydrogen_Bond_Donor_Count	0
14690973	Tautomer_Count	1
74431	Molecular_Weight	269.4
72026	Defined_Bond_Stereo_Count	0
10110	Hydrogen_Bond_Donor_Count	1
5460044	Molecular_Weight	182.17
9432	Hydrogen_Bond_Acceptor_Count	2
117715670	Exact_Mass	382.0754060
12699170	Undefined_Atom_Stereo_Count	3
54587659	Undefined_Bond_Stereo_Count	0
62130	Mono_Isotopic_Weight	246.0923762
36250	Isotope_Atom_Count	0
125449602	Defined_Atom_Stereo_Count	0
80821	XLogP3-AA	4.4
137240373	Defined_Atom_Stereo_Count	4
71453749	Total_Formal_Charge	0
594832	Rotatable_Bond_Count	1
694041	Total_Formal_Charge	0
637892	Defined_Bond_Stereo_Count	1
13240378	Rotatable_Bond_Count	3
18506422	Rotatable_Bond_Count	2
320	TPSA	132
2167	Covalent_Unit_Count	1
23434975	Non-hydrogen_Atom_Count	7
4542	Defined_Bond_Stereo_Count	0
22129000	TPSA	20.2
80293	Mono_Isotopic_Weight	123.068413911
12285862	Isotope_Atom_Count	0
78575	Structure_Complexity	68.4
15276695	Exact_Mass	99.068413911
40302	Hydrogen_Bond_Acceptor_Count	3
441451	Tautomer_Count	1
89068400	Covalent_Unit_Count	1
24180824	Hydrogen_Bond_Acceptor_Count	3
9470	Exact_Mass	214.110613074
5288217	Hydrogen_Bond_Donor_Count	4
667467	Mono_Isotopic_Weight	315.0848484
135403657	Mono_Isotopic_Weight	522.00664561
60982	TPSA	29.5
69851796	Total_Formal_Charge	0
5280863	Hydrogen_Bond_Acceptor_Count	6
13158036	Hydrogen_Bond_Acceptor_Count	1
90775246	XLogP3-AA	0.8
129631814	TPSA	60.7
70280758	Undefined_Atom_Stereo_Count	0
18314227	XLogP3-AA	1.2
71356656	Defined_Atom_Stereo_Count	0
5283338	Defined_Bond_Stereo_Count	1
56668818	Undefined_Bond_Stereo_Count	0
3690	Covalent_Unit_Count	1
6433520	Tautomer_Count	1
32966	XLogP3	0.2
16091096	Mono_Isotopic_Weight	625.32641949
68014	Molecular_Weight	170.14
12309339	Hydrogen_Bond_Donor_Count	8
43366	Hydrogen_Bond_Acceptor_Count	2
120303	Hydrogen_Bond_Donor_Count	0
946372	Structure_Complexity	492
11672905	Hydrogen_Bond_Donor_Count	5
445904	Undefined_Bond_Stereo_Count	0
3819932	Undefined_Atom_Stereo_Count	1
208952	Exact_Mass	431.0960588
56840987	Defined_Atom_Stereo_Count	6
3034	Hydrogen_Bond_Donor_Count	4
199480	TPSA	55.8
64771	Structure_Complexity	559
4345065	Structure_Complexity	1570
22581391	XLogP3-AA	4
79	Covalent_Unit_Count	1
129629387	Covalent_Unit_Count	1
11454	Undefined_Atom_Stereo_Count	1
60196306	Exact_Mass	670.39282728
448903	Undefined_Bond_Stereo_Count	0
5113032	Total_Formal_Charge	0
12301	Exact_Mass	104.047344113
82513	Hydrogen_Bond_Donor_Count	1
44129647	Structure_Complexity	585
37419	Defined_Atom_Stereo_Count	0
87480773	Defined_Atom_Stereo_Count	0
72728690	Total_Formal_Charge	0
5353830	Hydrogen_Bond_Donor_Count	1
11040	Undefined_Atom_Stereo_Count	1
329	Hydrogen_Bond_Acceptor_Count	8
14283774	Hydrogen_Bond_Acceptor_Count	3
16659836	Undefined_Bond_Stereo_Count	0
11263488	Molecular_Weight	114.15
19768091	Rotatable_Bond_Count	2
71077	Defined_Atom_Stereo_Count	1
3078952	Defined_Atom_Stereo_Count	0
85904477	Mono_Isotopic_Weight	103.042199164
40029	XLogP3-AA	3.8
243556	Hydrogen_Bond_Acceptor_Count	1
56993535	Rotatable_Bond_Count	1
13400658	Defined_Bond_Stereo_Count	0
4832	XLogP3-AA	3.6
172717	Molecular_Weight	222.32
15842094	Exact_Mass	705.63912
134008	Undefined_Atom_Stereo_Count	0
698716	Undefined_Bond_Stereo_Count	0
225609	Defined_Bond_Stereo_Count	0
450	Mono_Isotopic_Weight	272.177630004
14172370	Structure_Complexity	142
5267	Molecular_Weight	416.6
3092	Total_Formal_Charge	0
663	Undefined_Bond_Stereo_Count	0
11148	Undefined_Bond_Stereo_Count	0
155259577	Isotope_Atom_Count	0
16687470	Covalent_Unit_Count	1
83466	Hydrogen_Bond_Acceptor_Count	2
90485	Molecular_Weight	206.24
79729	Exact_Mass	330.19075510
5282180	Total_Formal_Charge	0
73795	Molecular_Weight	166.79
11917	Mono_Isotopic_Weight	240.126263138
43976	Covalent_Unit_Count	1
53779803	Mono_Isotopic_Weight	86.073164938
643312	Hydrogen_Bond_Donor_Count	2
22226235	Defined_Bond_Stereo_Count	0
94011387	Structure_Complexity	382
3844264	Non-hydrogen_Atom_Count	22
15604	Molecular_Weight	180.24
19928	Molecular_Weight	144.55
138	Non-hydrogen_Atom_Count	8
5358902	Structure_Complexity	159
5586	Rotatable_Bond_Count	3
8249	Isotope_Atom_Count	0
610169	Mono_Isotopic_Weight	204.92939
96201	Exact_Mass	254.130679813
513956	Molecular_Weight	624.8
71573986	Total_Formal_Charge	0
156588466	Molecular_Weight	709.3
6230	Defined_Atom_Stereo_Count	6
73640	Tautomer_Count	1
66766582	Exact_Mass	151.02041835
35750	Non-hydrogen_Atom_Count	17
2807	Hydrogen_Bond_Acceptor_Count	6
2129427	Undefined_Bond_Stereo_Count	0
143552208	Defined_Bond_Stereo_Count	0
12656387	Undefined_Bond_Stereo_Count	0
135802074	Defined_Bond_Stereo_Count	0
70691486	Exact_Mass	468.16944839
533427	Undefined_Bond_Stereo_Count	1
71432895	Covalent_Unit_Count	1
74889149	Defined_Bond_Stereo_Count	0
21133868	Hydrogen_Bond_Donor_Count	0
68841	Covalent_Unit_Count	1
10076625	Defined_Bond_Stereo_Count	0
72131	Hydrogen_Bond_Acceptor_Count	4
107921	Mono_Isotopic_Weight	218.105527694
5827	Defined_Atom_Stereo_Count	0
41781	Exact_Mass	348.12561169
55748	Covalent_Unit_Count	1
53708930	Mono_Isotopic_Weight	101.047678466
7774	Non-hydrogen_Atom_Count	16
23502517	Structure_Complexity	504
6643	Hydrogen_Bond_Donor_Count	1
15210994	Defined_Atom_Stereo_Count	0
5461	Exact_Mass	370.23553880
7190	Rotatable_Bond_Count	2
7937	Undefined_Atom_Stereo_Count	0
44455234	Mono_Isotopic_Weight	366.10743665
58247571	Undefined_Bond_Stereo_Count	0
62380	Molecular_Weight	342.5
134925337	Molecular_Weight	101.15
33294	Exact_Mass	288.09490270
131704172	Covalent_Unit_Count	2
160617	Mono_Isotopic_Weight	368.02569623
156618042	TPSA	190
8398	Total_Formal_Charge	0
11953808	Structure_Complexity	1520
80289	TPSA	49.9
83679395	Covalent_Unit_Count	1
50741839	Mono_Isotopic_Weight	606.22189408
12056760	Molecular_Weight	418.28
37464	TPSA	41.5
70697352	Structure_Complexity	938
11170949	Undefined_Atom_Stereo_Count	0
3123	Hydrogen_Bond_Donor_Count	4
182362	Rotatable_Bond_Count	1
13019047	Isotope_Atom_Count	0
57782	Rotatable_Bond_Count	5
83511	TPSA	76
10273	Rotatable_Bond_Count	2
91707	Molecular_Weight	361.8
134694743	Molecular_Weight	637.0
45834	TPSA	23.6
4226	Hydrogen_Bond_Acceptor_Count	5
25210	Structure_Complexity	125
2486	Hydrogen_Bond_Donor_Count	2
14453685	Molecular_Weight	114.19
228	Non-hydrogen_Atom_Count	27
89482	Undefined_Bond_Stereo_Count	0
8292	TPSA	96.1
5282200	Undefined_Bond_Stereo_Count	0
10812218	Hydrogen_Bond_Donor_Count	1
129680036	Hydrogen_Bond_Acceptor_Count	1
73441	Non-hydrogen_Atom_Count	35
5317	Undefined_Atom_Stereo_Count	4
45480632	Undefined_Atom_Stereo_Count	0
69318	Tautomer_Count	1
11101	Covalent_Unit_Count	1
524270	Defined_Atom_Stereo_Count	0
102692	Undefined_Atom_Stereo_Count	1
548	Molecular_Weight	200.14
1878	Exact_Mass	370.17802393
1474141	Hydrogen_Bond_Acceptor_Count	5
784	Molecular_Weight	34.015
129821327	Total_Formal_Charge	0
54605501	TPSA	138
16658	Isotope_Atom_Count	0
140682152	Defined_Bond_Stereo_Count	0
30292	Total_Formal_Charge	0
75049	Hydrogen_Bond_Donor_Count	1
70844	Exact_Mass	250.09535693
73001175	Mono_Isotopic_Weight	99.104799419
6675	Molecular_Weight	515.7
16217634	Hydrogen_Bond_Acceptor_Count	0
72733907	Defined_Atom_Stereo_Count	0
129446563	TPSA	60.7
1333	Non-hydrogen_Atom_Count	16
13400658	Defined_Atom_Stereo_Count	0
16637	XLogP3-AA	0.9
166796	Rotatable_Bond_Count	5
2967	TPSA	141
222465	Structure_Complexity	40.2
162381	Defined_Atom_Stereo_Count	2
107214	Exact_Mass	116.047344113
103648	Undefined_Bond_Stereo_Count	0
62865	Undefined_Bond_Stereo_Count	0
23381756	Rotatable_Bond_Count	0
122760	Exact_Mass	116.01566732
49798507	XLogP3-AA	1.2
99486	Structure_Complexity	873
53319933	Exact_Mass	242.05138412
57441855	Defined_Bond_Stereo_Count	0
88093948	Exact_Mass	416.32904526
517000	Defined_Bond_Stereo_Count	0
306049	Mono_Isotopic_Weight	222.0811428
134990043	Non-hydrogen_Atom_Count	7
134694829	Undefined_Atom_Stereo_Count	4
3047810	TPSA	80.7
73835	Defined_Bond_Stereo_Count	0
59216333	Exact_Mass	111.043261792
17769620	TPSA	37.9
20486	Defined_Bond_Stereo_Count	0
544588	Covalent_Unit_Count	1
15758	Rotatable_Bond_Count	0
12609623	Hydrogen_Bond_Acceptor_Count	2
71300725	Hydrogen_Bond_Acceptor_Count	48
20135736	TPSA	59.6
100665	Total_Formal_Charge	0
37933	Structure_Complexity	414
22948535	Hydrogen_Bond_Donor_Count	0
11225217	TPSA	114
154734173	Covalent_Unit_Count	1
55624	Structure_Complexity	581
11669987	Non-hydrogen_Atom_Count	34
21817604	Non-hydrogen_Atom_Count	7
3086652	Undefined_Bond_Stereo_Count	0
139	Isotope_Atom_Count	0
21225563	Isotope_Atom_Count	0
15980171	Hydrogen_Bond_Acceptor_Count	7
312145	Molecular_Weight	428.4
57322830	Molecular_Weight	116.11
13408391	Non-hydrogen_Atom_Count	19
10110	Covalent_Unit_Count	1
471583	Covalent_Unit_Count	1
121208105	Covalent_Unit_Count	1
46878493	XLogP3-AA	0.6
87412180	Mono_Isotopic_Weight	284.16237386
7978	Hydrogen_Bond_Acceptor_Count	3
69332464	Molecular_Weight	112.13
9793992	TPSA	104
3085416	Molecular_Weight	875.1
1454	Hydrogen_Bond_Acceptor_Count	6
106228050	Defined_Atom_Stereo_Count	0
3699841	Defined_Atom_Stereo_Count	0
12695798	TPSA	3
12317344	Total_Formal_Charge	0
137105	Rotatable_Bond_Count	0
26058	TPSA	0
11524680	Exact_Mass	424.35526001
11884	TPSA	0
53996883	Molecular_Weight	113.11
74764658	Non-hydrogen_Atom_Count	26
44119608	Hydrogen_Bond_Donor_Count	1
22245193	Defined_Bond_Stereo_Count	0
5364711	Undefined_Atom_Stereo_Count	0
119418	Mono_Isotopic_Weight	292.13107373
3058839	XLogP3-AA	3
17242	Tautomer_Count	1
150748	Undefined_Atom_Stereo_Count	2
544591	Undefined_Bond_Stereo_Count	0
5487542	TPSA	109
55285439	Mono_Isotopic_Weight	99.068413911
19526	Rotatable_Bond_Count	1
43598	Non-hydrogen_Atom_Count	15
11225102	Mono_Isotopic_Weight	466.30562448
126636957	Hydrogen_Bond_Acceptor_Count	12
4279	Mono_Isotopic_Weight	344.352854710
5249080	Structure_Complexity	124
2580	Rotatable_Bond_Count	6
18402	Isotope_Atom_Count	0
15744	Undefined_Bond_Stereo_Count	0
3790985	Total_Formal_Charge	0
33474	Undefined_Atom_Stereo_Count	0
23688977	Covalent_Unit_Count	2
639420	Defined_Atom_Stereo_Count	0
126547509	Undefined_Atom_Stereo_Count	0
68198	Defined_Bond_Stereo_Count	0
112446	Hydrogen_Bond_Acceptor_Count	1
16722	Isotope_Atom_Count	0
13609260	Isotope_Atom_Count	0
9529	Exact_Mass	260.04584451
76848959	Defined_Atom_Stereo_Count	1
124003	Rotatable_Bond_Count	28
903755	Defined_Bond_Stereo_Count	0
29396	Hydrogen_Bond_Donor_Count	2
136887	Mono_Isotopic_Weight	110.073164938
8213	Structure_Complexity	123
11764862	Undefined_Bond_Stereo_Count	0
57248966	Non-hydrogen_Atom_Count	7
137240	Non-hydrogen_Atom_Count	8
176870	Hydrogen_Bond_Donor_Count	1
123489618	Non-hydrogen_Atom_Count	8
24410	Undefined_Bond_Stereo_Count	0
11731	Hydrogen_Bond_Donor_Count	1
5355751	Total_Formal_Charge	0
124005380	Defined_Bond_Stereo_Count	0
6927356	Non-hydrogen_Atom_Count	12
28689	Covalent_Unit_Count	1
440864	Exact_Mass	104.047344113
13000143	Non-hydrogen_Atom_Count	6
101906815	Hydrogen_Bond_Acceptor_Count	28
6641	Tautomer_Count	1
9930448	Structure_Complexity	653
123337109	Defined_Atom_Stereo_Count	0
6943688	XLogP3	4.6
55290736	Molecular_Weight	97.16
88300	Isotope_Atom_Count	0
19793984	Defined_Bond_Stereo_Count	0
9884439	Total_Formal_Charge	0
33191	Mono_Isotopic_Weight	176.120115130
3055168	Hydrogen_Bond_Acceptor_Count	6
12553930	Covalent_Unit_Count	1
30380	Defined_Atom_Stereo_Count	0
54269666	Mono_Isotopic_Weight	85.089149355
12936856	Hydrogen_Bond_Acceptor_Count	1
45116623	Structure_Complexity	112
24812721	Rotatable_Bond_Count	6
413540	Defined_Bond_Stereo_Count	0
74600475	Isotope_Atom_Count	0
2816578	Exact_Mass	311.13822480
6	Isotope_Atom_Count	0
13976241	TPSA	32.3
22120552	Defined_Atom_Stereo_Count	0
91612	Rotatable_Bond_Count	3
15375	Non-hydrogen_Atom_Count	8
60838	Rotatable_Bond_Count	5
67578175	Structure_Complexity	782
9881504	Molecular_Weight	254.28
46206643	Rotatable_Bond_Count	3
54160801	Molecular_Weight	98.10
14821	Hydrogen_Bond_Donor_Count	0
65477	Defined_Bond_Stereo_Count	0
72200166	Undefined_Bond_Stereo_Count	0
7580	Molecular_Weight	168.23
25222253	Hydrogen_Bond_Donor_Count	5
25001849	Molecular_Weight	428.4
141130780	Non-hydrogen_Atom_Count	7
10953	Mono_Isotopic_Weight	100.052429494
2724505	Undefined_Atom_Stereo_Count	0
86790	Covalent_Unit_Count	1
21699428	Hydrogen_Bond_Donor_Count	1
3843	Mono_Isotopic_Weight	495.17942091
5702609	Total_Formal_Charge	0
24848321	Non-hydrogen_Atom_Count	21
131674917	Molecular_Weight	250.97
87280117	TPSA	58.9
101001463	Non-hydrogen_Atom_Count	30
9579050	Rotatable_Bond_Count	4
5108383	Exact_Mass	335.09397721
27588	Structure_Complexity	189
51026956	Non-hydrogen_Atom_Count	22
446578	Exact_Mass	178.08412354
13362585	Non-hydrogen_Atom_Count	8
572565	TPSA	57.4
129010290	Total_Formal_Charge	0
39624	Exact_Mass	353.0818711
8183	XLogP3	6.8
115159	Molecular_Weight	277.4
46201499	Tautomer_Count	1
68643	Defined_Atom_Stereo_Count	0
79998	Total_Formal_Charge	0
75564	TPSA	43.1
83969	Defined_Atom_Stereo_Count	0
993	Hydrogen_Bond_Donor_Count	4
2893	Molecular_Weight	276.4
449107	XLogP3-AA	4.9
16049158	Hydrogen_Bond_Donor_Count	5
11259	Hydrogen_Bond_Acceptor_Count	4
40496	Tautomer_Count	1
121296846	Hydrogen_Bond_Acceptor_Count	2
447196	Tautomer_Count	3
11502867	TPSA	93.4
5226	Defined_Atom_Stereo_Count	0
9916282	Rotatable_Bond_Count	12
947	Covalent_Unit_Count	1
54292	Defined_Atom_Stereo_Count	0
153534619	Covalent_Unit_Count	1
9895035	Undefined_Bond_Stereo_Count	0
86882	TPSA	26.3
3082717	Isotope_Atom_Count	0
54587659	XLogP3-AA	4
53317194	Hydrogen_Bond_Donor_Count	2
104794	Undefined_Atom_Stereo_Count	0
439568	Tautomer_Count	1
95479940	Hydrogen_Bond_Acceptor_Count	11
115080007	TPSA	59.2
146159169	Exact_Mass	764.50746311
16123056	Rotatable_Bond_Count	2
66960	Undefined_Bond_Stereo_Count	0
12254	Exact_Mass	88.063662883
166044976	TPSA	9.2
26193	TPSA	51
21470197	Isotope_Atom_Count	0
5281609	Total_Formal_Charge	0
68194	XLogP3	0.5
156418	Undefined_Bond_Stereo_Count	0
383414	Non-hydrogen_Atom_Count	71
1452	Undefined_Bond_Stereo_Count	1
46780152	XLogP3-AA	5.1
157898	Undefined_Atom_Stereo_Count	2
3170	Hydrogen_Bond_Donor_Count	0
53846422	Non-hydrogen_Atom_Count	30
71333302	Mono_Isotopic_Weight	114.031694049
52943962	Rotatable_Bond_Count	5
73265408	Rotatable_Bond_Count	3
6919	Structure_Complexity	99.8
2896	Rotatable_Bond_Count	2
320263	XLogP3-AA	3.3
21984	Rotatable_Bond_Count	7
36218	Undefined_Bond_Stereo_Count	0
66487	Covalent_Unit_Count	1
159968	Defined_Bond_Stereo_Count	0
443156	Covalent_Unit_Count	1
17764882	Exact_Mass	116.058577502
61285	Hydrogen_Bond_Donor_Count	1
11647679	Structure_Complexity	527
91194554	Undefined_Bond_Stereo_Count	0
15311	Non-hydrogen_Atom_Count	20
24250	Hydrogen_Bond_Acceptor_Count	2
33722	Non-hydrogen_Atom_Count	7
65725	Hydrogen_Bond_Acceptor_Count	3
44392220	Hydrogen_Bond_Acceptor_Count	3
3635	Undefined_Bond_Stereo_Count	0
5279171	Isotope_Atom_Count	0
160528942	Covalent_Unit_Count	1
46228852	Total_Formal_Charge	0
12477	XLogP3	2.1
3570	Covalent_Unit_Count	1
158781	Total_Formal_Charge	0
3526	Rotatable_Bond_Count	18
35784	Defined_Bond_Stereo_Count	0
86017	Undefined_Bond_Stereo_Count	0
5281067	Total_Formal_Charge	0
1203	Defined_Atom_Stereo_Count	0
140617878	Exact_Mass	112.052429494
656892	Undefined_Atom_Stereo_Count	0
5330175	Mono_Isotopic_Weight	442.1771684
107767	Tautomer_Count	1
65808	Rotatable_Bond_Count	13
131451246	Non-hydrogen_Atom_Count	7
9917968	Exact_Mass	684.52234258
25818	Isotope_Atom_Count	0
40936	XLogP3-AA	4.7
69460	Total_Formal_Charge	0
89306	Exact_Mass	210.161979940
5378630	Hydrogen_Bond_Donor_Count	1
44521022	TPSA	72.4
503	Molecular_Weight	117.11
136382971	Rotatable_Bond_Count	0
10964417	Defined_Atom_Stereo_Count	0
20477345	Molecular_Weight	192.18
518964	Exact_Mass	92.9743320
29971	Defined_Atom_Stereo_Count	0
91021644	Hydrogen_Bond_Acceptor_Count	1
46931005	Isotope_Atom_Count	0
16911	Undefined_Bond_Stereo_Count	0
85805628	XLogP3-AA	1.6
753040	Molecular_Weight	344.16
446801	Rotatable_Bond_Count	2
5462951	Exact_Mass	118.078250319
9984487	Total_Formal_Charge	0
9816506	Non-hydrogen_Atom_Count	19
191445	Isotope_Atom_Count	0
9472	Rotatable_Bond_Count	9
78896	Covalent_Unit_Count	1
25611	Isotope_Atom_Count	0
15273920	Isotope_Atom_Count	0
11587	Rotatable_Bond_Count	2
21934012	Defined_Atom_Stereo_Count	0
5361871	Defined_Atom_Stereo_Count	2
91827561	Non-hydrogen_Atom_Count	65
17842350	Undefined_Bond_Stereo_Count	0
49866694	TPSA	99.8
2441	XLogP3	1.7
31353	Undefined_Atom_Stereo_Count	1
4549	Hydrogen_Bond_Donor_Count	2
41368	Non-hydrogen_Atom_Count	20
13738	Hydrogen_Bond_Acceptor_Count	4
65370	Mono_Isotopic_Weight	563.28025714
71460925	Molecular_Weight	584.5
601439	Hydrogen_Bond_Donor_Count	2
9954082	Mono_Isotopic_Weight	423.2904073
4829	Undefined_Atom_Stereo_Count	1
71674	Defined_Atom_Stereo_Count	29
11710986	Total_Formal_Charge	0
83096	Defined_Atom_Stereo_Count	0
5035	Total_Formal_Charge	0
628370	Defined_Atom_Stereo_Count	0
23643936	Molecular_Weight	893.2
6637	Defined_Bond_Stereo_Count	0
60688467	Defined_Atom_Stereo_Count	0
46244173	Hydrogen_Bond_Acceptor_Count	6
65576	Covalent_Unit_Count	1
447360	Non-hydrogen_Atom_Count	28
102239760	Hydrogen_Bond_Acceptor_Count	7
317852	Defined_Atom_Stereo_Count	0
52943962	TPSA	55.6
144381	Non-hydrogen_Atom_Count	10
20072996	Molecular_Weight	101.15
643984	Rotatable_Bond_Count	3
2336	Undefined_Bond_Stereo_Count	0
10931370	Undefined_Atom_Stereo_Count	0
21080	Structure_Complexity	348
131057	Defined_Bond_Stereo_Count	0
21908797	Total_Formal_Charge	0
104940	Exact_Mass	338.07903816
5496539	Covalent_Unit_Count	1
96191	Rotatable_Bond_Count	1
81421	Undefined_Bond_Stereo_Count	0
11399084	Mono_Isotopic_Weight	580.47028976
56663315	XLogP3-AA	3.7
36457	Structure_Complexity	274
12842606	Isotope_Atom_Count	0
24639	Total_Formal_Charge	0
72149	Mono_Isotopic_Weight	382.18925731
20644600	Structure_Complexity	48.1
119489	Rotatable_Bond_Count	2
97886	Defined_Atom_Stereo_Count	0
5784745	Molecular_Weight	247.3
12381281	Molecular_Weight	96.13
4555	Rotatable_Bond_Count	5
14601092	Defined_Atom_Stereo_Count	1
72196	Molecular_Weight	532.6
27872	Non-hydrogen_Atom_Count	31
28145931	Non-hydrogen_Atom_Count	27
73759809	Hydrogen_Bond_Donor_Count	3
10324367	Total_Formal_Charge	0
71305061	Hydrogen_Bond_Acceptor_Count	10
11184839	Total_Formal_Charge	1
6442842	Non-hydrogen_Atom_Count	29
10090285	Undefined_Bond_Stereo_Count	0
139075043	Exact_Mass	646.029749
15273916	TPSA	21.6
17820196	Undefined_Atom_Stereo_Count	1
124762103	Non-hydrogen_Atom_Count	23
3815158	Isotope_Atom_Count	0
3673	Mono_Isotopic_Weight	297.172878976
9815578	Structure_Complexity	372
10200813	Total_Formal_Charge	0
12739608	Rotatable_Bond_Count	0
10855384	Non-hydrogen_Atom_Count	7
261555	Total_Formal_Charge	0
52355	Undefined_Bond_Stereo_Count	0
39521	Total_Formal_Charge	0
13041095	Structure_Complexity	463
23574562	Structure_Complexity	143
751826	TPSA	72.6
140233814	Rotatable_Bond_Count	1
887824	XLogP3-AA	2.4
2733178	Total_Formal_Charge	0
80881	Defined_Atom_Stereo_Count	0
9234	Isotope_Atom_Count	0
6473883	Non-hydrogen_Atom_Count	58
114831	Defined_Bond_Stereo_Count	0
119081	Covalent_Unit_Count	1
5469318	Covalent_Unit_Count	1
667450	Exact_Mass	246.125594432
9688	Structure_Complexity	317
87703	Undefined_Bond_Stereo_Count	0
23729666	Hydrogen_Bond_Acceptor_Count	2
5155	Non-hydrogen_Atom_Count	16
135738681	TPSA	221
89646	Rotatable_Bond_Count	1
5815211	Total_Formal_Charge	0
13314	Non-hydrogen_Atom_Count	22
66803155	Molecular_Weight	711.8
23694671	Undefined_Bond_Stereo_Count	0
123994818	Molecular_Weight	87.12
94398	Hydrogen_Bond_Acceptor_Count	7
821598	Hydrogen_Bond_Donor_Count	1
3111	Undefined_Bond_Stereo_Count	0
60196302	Isotope_Atom_Count	0
24603	Covalent_Unit_Count	1
9925	Non-hydrogen_Atom_Count	22
86252	Tautomer_Count	2
21445949	XLogP3-AA	0.2
2775	Rotatable_Bond_Count	2
7367	Hydrogen_Bond_Donor_Count	0
10772947	Total_Formal_Charge	0
2771917	Mono_Isotopic_Weight	98.084398327
7369	Isotope_Atom_Count	0
1504	TPSA	98.8
65484	Isotope_Atom_Count	0
76974846	Defined_Atom_Stereo_Count	2
49290	Tautomer_Count	5
32743	Exact_Mass	86.036779430
3058739	Exact_Mass	301.298079487
649217	Covalent_Unit_Count	1
24096961	Tautomer_Count	1
123335274	Defined_Bond_Stereo_Count	0
14017	Mono_Isotopic_Weight	111.00853005
7923	Hydrogen_Bond_Acceptor_Count	3
543038	Non-hydrogen_Atom_Count	9
4235600	Isotope_Atom_Count	0
701651	TPSA	58
34837	Molecular_Weight	324.4
14869	Covalent_Unit_Count	1
56020	Covalent_Unit_Count	1
139190714	Exact_Mass	156.04225873
14581	Non-hydrogen_Atom_Count	15
5284597	TPSA	37.3
68489225	Structure_Complexity	534
52885	Molecular_Weight	308.3
10336591	Molecular_Weight	100.16
21354291	Structure_Complexity	138
3037456	Non-hydrogen_Atom_Count	35
14163	Defined_Atom_Stereo_Count	0
16049160	Undefined_Bond_Stereo_Count	0
82718176	Structure_Complexity	92.5
69566474	TPSA	38.4
71575294	Isotope_Atom_Count	0
398558	Defined_Atom_Stereo_Count	2
8987	Mono_Isotopic_Weight	149.03329170
10245972	Covalent_Unit_Count	1
16217	Undefined_Bond_Stereo_Count	0
441412	Exact_Mass	403.1914215
10975405	Structure_Complexity	60.6
131428459	XLogP3-AA	0.2
135415868	Non-hydrogen_Atom_Count	33
17860889	Undefined_Atom_Stereo_Count	0
566032	Non-hydrogen_Atom_Count	12
42754	TPSA	29.1
6456	Rotatable_Bond_Count	3
9801597	Isotope_Atom_Count	0
71857	Defined_Atom_Stereo_Count	0
62784	Hydrogen_Bond_Acceptor_Count	4
102601439	Undefined_Atom_Stereo_Count	0
131704481	Structure_Complexity	1290
57519517	Tautomer_Count	57
261668	Non-hydrogen_Atom_Count	24
12672	XLogP3-AA	2
86956	Isotope_Atom_Count	0
723	Covalent_Unit_Count	1
39884	Non-hydrogen_Atom_Count	25
71128	Structure_Complexity	348
146461	XLogP3	2.2
13895197	Hydrogen_Bond_Donor_Count	5
7107	Defined_Bond_Stereo_Count	0
53486170	Covalent_Unit_Count	2
21312986	Undefined_Bond_Stereo_Count	0
21983433	Total_Formal_Charge	0
210301	Covalent_Unit_Count	2
6436117	Exact_Mass	594.04097308
1707	Undefined_Atom_Stereo_Count	0
333942	Hydrogen_Bond_Donor_Count	2
101088599	Defined_Bond_Stereo_Count	2
23675737	Undefined_Bond_Stereo_Count	0
98559	Total_Formal_Charge	0
35775	Molecular_Weight	286.30
57395178	Defined_Atom_Stereo_Count	0
402	TPSA	1
5324108	Undefined_Atom_Stereo_Count	0
56670168	Undefined_Bond_Stereo_Count	0
11962412	Covalent_Unit_Count	1
57721	Rotatable_Bond_Count	13
117601215	TPSA	59.3
70680969	TPSA	66.1
74325	Hydrogen_Bond_Acceptor_Count	2
64822	Defined_Atom_Stereo_Count	0
62276	Total_Formal_Charge	0
5484132	Defined_Bond_Stereo_Count	1
8736	Rotatable_Bond_Count	1
105106202	Molecular_Weight	114.14
15702063	Defined_Atom_Stereo_Count	0
23282966	Isotope_Atom_Count	0
5464200	Exact_Mass	284.1291556
33643	Undefined_Bond_Stereo_Count	0
33755	Defined_Bond_Stereo_Count	0
21677759	Rotatable_Bond_Count	0
162127	Defined_Bond_Stereo_Count	0
108156	Hydrogen_Bond_Acceptor_Count	7
91820610	Defined_Atom_Stereo_Count	6
704754	Mono_Isotopic_Weight	346.17802393
44123300	Rotatable_Bond_Count	8
23694671	Hydrogen_Bond_Acceptor_Count	2
28705	Covalent_Unit_Count	1
98451	Mono_Isotopic_Weight	100.052429494
6194	Hydrogen_Bond_Acceptor_Count	3
3796640	XLogP3-AA	2.9
93521	Structure_Complexity	326
5459318	Defined_Bond_Stereo_Count	3
10023245	Covalent_Unit_Count	1
9883915	Undefined_Bond_Stereo_Count	0
6419708	Non-hydrogen_Atom_Count	22
20309777	Total_Formal_Charge	0
23695324	Isotope_Atom_Count	0
13653621	Structure_Complexity	636
16837	Rotatable_Bond_Count	4
643606	Undefined_Atom_Stereo_Count	0
6891	Molecular_Weight	201.25
21675633	Hydrogen_Bond_Acceptor_Count	1
139078863	Non-hydrogen_Atom_Count	14
3048356	TPSA	23.5
448577	Hydrogen_Bond_Donor_Count	2
9113	Non-hydrogen_Atom_Count	42
4092	Structure_Complexity	138
99730	Hydrogen_Bond_Donor_Count	1
12411255	Non-hydrogen_Atom_Count	7
146160332	Isotope_Atom_Count	0
98614	Structure_Complexity	292
9795	Defined_Bond_Stereo_Count	0
143636537	Molecular_Weight	110.15
643790	Hydrogen_Bond_Acceptor_Count	2
66792573	Rotatable_Bond_Count	1
491728	Molecular_Weight	475.4
9846716	TPSA	106
98685	Isotope_Atom_Count	0
2734117	Molecular_Weight	546.8
61868	Mono_Isotopic_Weight	118.099379685
492	Hydrogen_Bond_Acceptor_Count	7
122824	Covalent_Unit_Count	2
439271	Rotatable_Bond_Count	5
20055400	Tautomer_Count	1
443945	Non-hydrogen_Atom_Count	23
68616	Structure_Complexity	428
8980	Structure_Complexity	211
71771	Exact_Mass	353.0221633
79961	Molecular_Weight	319.18
13573815	Undefined_Atom_Stereo_Count	2
26696	Covalent_Unit_Count	1
55220664	Molecular_Weight	98.15
12702817	Mono_Isotopic_Weight	109.01393355
16129690	Defined_Bond_Stereo_Count	0
2793	Exact_Mass	480.2655895
102171995	Exact_Mass	312.162648646
12313817	Undefined_Bond_Stereo_Count	0
5281078	Non-hydrogen_Atom_Count	31
9577272	Isotope_Atom_Count	0
2772	Rotatable_Bond_Count	10
20728	Undefined_Atom_Stereo_Count	7
10044423	Undefined_Bond_Stereo_Count	0
36149	Covalent_Unit_Count	1
631	Rotatable_Bond_Count	16
96268	Structure_Complexity	146
2968	XLogP3-AA	3.9
12313776	Covalent_Unit_Count	1
13050985	Structure_Complexity	91.9
61056	Defined_Bond_Stereo_Count	0
29971	TPSA	41.1
27304	Total_Formal_Charge	0
41663	Isotope_Atom_Count	0
20232381	XLogP3-AA	1
86367	Hydrogen_Bond_Donor_Count	1
1143	Defined_Bond_Stereo_Count	0
216258	Undefined_Atom_Stereo_Count	13
21189145	Mono_Isotopic_Weight	114.031694049
6778	Defined_Atom_Stereo_Count	0
86656004	Non-hydrogen_Atom_Count	8
284161	Hydrogen_Bond_Acceptor_Count	4
32230	Total_Formal_Charge	0
146159909	Total_Formal_Charge	0
197160	Exact_Mass	338.17648916
57392729	Undefined_Atom_Stereo_Count	0
25074887	Hydrogen_Bond_Acceptor_Count	16
3876660	Defined_Bond_Stereo_Count	0
22979	Exact_Mass	487.11279790
21024274	Hydrogen_Bond_Acceptor_Count	2
10335364	Total_Formal_Charge	0
13264589	Rotatable_Bond_Count	0
87595695	Non-hydrogen_Atom_Count	7
6427574	Hydrogen_Bond_Acceptor_Count	2
339079	Non-hydrogen_Atom_Count	16
3668	Rotatable_Bond_Count	5
206	Mono_Isotopic_Weight	180.06338810
14236	Non-hydrogen_Atom_Count	8
135903069	Structure_Complexity	1790
31263	Rotatable_Bond_Count	4
49865355	Undefined_Bond_Stereo_Count	0
37822	Total_Formal_Charge	0
6918493	Molecular_Weight	378.4
44311686	Exact_Mass	349.0829337
3728	Isotope_Atom_Count	0
27744	Defined_Atom_Stereo_Count	0
54422686	Hydrogen_Bond_Donor_Count	1
14944610	Mono_Isotopic_Weight	120.078644241
72424	Mono_Isotopic_Weight	830.22828114
135565596	Covalent_Unit_Count	1
12393928	Hydrogen_Bond_Acceptor_Count	3
61968	Structure_Complexity	97.2
10429739	XLogP3-AA	3.9
59037463	Molecular_Weight	303.35
80277	Total_Formal_Charge	0
3463	Total_Formal_Charge	0
11030720	TPSA	63.6
134689784	Defined_Atom_Stereo_Count	0
11534927	Undefined_Atom_Stereo_Count	0
19743370	Molecular_Weight	116.16
584100	Undefined_Atom_Stereo_Count	0
6918186	Structure_Complexity	522
51102	Total_Formal_Charge	0
11159621	Mono_Isotopic_Weight	176.08104428
517637	Non-hydrogen_Atom_Count	21
12651160	Defined_Bond_Stereo_Count	0
984396	Hydrogen_Bond_Donor_Count	2
961192	Defined_Bond_Stereo_Count	0
6433082	Exact_Mass	251.1288213
12275362	Undefined_Atom_Stereo_Count	0
153127831	Isotope_Atom_Count	0
4306515	Hydrogen_Bond_Donor_Count	0
13120	Non-hydrogen_Atom_Count	24
36005	Undefined_Atom_Stereo_Count	0
11789162	Undefined_Bond_Stereo_Count	0
4509	Defined_Atom_Stereo_Count	0
16051918	Defined_Bond_Stereo_Count	0
37461	Structure_Complexity	553
19094	Isotope_Atom_Count	0
57357928	Undefined_Bond_Stereo_Count	0
101031992	Non-hydrogen_Atom_Count	8
71072081	Structure_Complexity	637
21027022	Undefined_Atom_Stereo_Count	0
61529	Hydrogen_Bond_Donor_Count	1
566597	Defined_Bond_Stereo_Count	0
151257062	Total_Formal_Charge	0
46173802	Undefined_Atom_Stereo_Count	0
4545429	Covalent_Unit_Count	1
117265544	Covalent_Unit_Count	1
10290728	Undefined_Bond_Stereo_Count	0
22408669	Isotope_Atom_Count	0
22875828	Isotope_Atom_Count	0
40839	Undefined_Bond_Stereo_Count	0
11558904	Total_Formal_Charge	0
7344	Mono_Isotopic_Weight	118.062994177
926	Exact_Mass	664.11694759
20705517	Undefined_Atom_Stereo_Count	1
107697	Undefined_Bond_Stereo_Count	0
17074527	Hydrogen_Bond_Donor_Count	1
18374068	Defined_Bond_Stereo_Count	0
11338749	Isotope_Atom_Count	0
88063521	XLogP3-AA	0.6
49864506	Non-hydrogen_Atom_Count	20
13867124	Undefined_Bond_Stereo_Count	0
21673601	Defined_Atom_Stereo_Count	0
24849168	Exact_Mass	316.14230712
11696580	Mono_Isotopic_Weight	380.15968852
5326965	Exact_Mass	169.99802494
77342	Defined_Bond_Stereo_Count	0
587369	Mono_Isotopic_Weight	402.0149675
36920	Hydrogen_Bond_Acceptor_Count	4
202792	Hydrogen_Bond_Acceptor_Count	2
148195	Hydrogen_Bond_Donor_Count	1
9457	Defined_Bond_Stereo_Count	0
50993881	TPSA	117
57286	Molecular_Weight	328.9
20137	Structure_Complexity	72.1
88580088	Undefined_Atom_Stereo_Count	0
90397060	Defined_Bond_Stereo_Count	1
6331	Mono_Isotopic_Weight	14.0327803
220010	Undefined_Atom_Stereo_Count	0
17673	Hydrogen_Bond_Donor_Count	0
4145303	Isotope_Atom_Count	0
92588	Isotope_Atom_Count	0
67382752	Total_Formal_Charge	0
3034319	Rotatable_Bond_Count	1
98094	Molecular_Weight	128.22
47472	Undefined_Atom_Stereo_Count	1
117064644	Undefined_Atom_Stereo_Count	1
71957	Non-hydrogen_Atom_Count	12
74353448	Hydrogen_Bond_Donor_Count	4
126083	Mono_Isotopic_Weight	314.16641387
41505	Defined_Bond_Stereo_Count	0
6420378	Non-hydrogen_Atom_Count	7
11785059	Defined_Bond_Stereo_Count	0
123400934	Mono_Isotopic_Weight	106.078250319
57000025	XLogP3-AA	0.4
10267191	TPSA	44.5
687818	Exact_Mass	338.12013238
123347622	Mono_Isotopic_Weight	97.089149355
30532	Isotope_Atom_Count	0
5478865	Undefined_Bond_Stereo_Count	0
5451	Non-hydrogen_Atom_Count	35
321937	Defined_Atom_Stereo_Count	0
26314	Total_Formal_Charge	0
58560	Molecular_Weight	268.35
2819635	Undefined_Bond_Stereo_Count	0
5284439	Molecular_Weight	393.6
5086466	Exact_Mass	244.97559867
54595803	Undefined_Bond_Stereo_Count	0
17907809	Defined_Bond_Stereo_Count	0
138005	Isotope_Atom_Count	0
103079114	Total_Formal_Charge	0
71309208	Hydrogen_Bond_Acceptor_Count	0
337218	Defined_Bond_Stereo_Count	0
15322	Molecular_Weight	280.10
13306871	Structure_Complexity	66.5
3356829	Total_Formal_Charge	0
154982320	Hydrogen_Bond_Acceptor_Count	1
4921	Molecular_Weight	844.4
557908	XLogP3-AA	0
4118151	Undefined_Atom_Stereo_Count	0
20841747	Structure_Complexity	64.9
45259043	Mono_Isotopic_Weight	544.36584195
446275	Covalent_Unit_Count	1
44525553	Hydrogen_Bond_Acceptor_Count	6
9609	Covalent_Unit_Count	1
344693	Exact_Mass	226.099379685
8738	Mono_Isotopic_Weight	146.094294304
3087722	Undefined_Atom_Stereo_Count	0
73812	Non-hydrogen_Atom_Count	15
64560	Non-hydrogen_Atom_Count	21
3638	Hydrogen_Bond_Acceptor_Count	4
16097729	TPSA	235
70579	Hydrogen_Bond_Acceptor_Count	0
77147	TPSA	106
785	Defined_Bond_Stereo_Count	0
71464652	Structure_Complexity	463
10967532	Defined_Atom_Stereo_Count	0
20056743	Defined_Atom_Stereo_Count	0
6436083	Non-hydrogen_Atom_Count	32
11619220	Isotope_Atom_Count	0
75192	Molecular_Weight	212.25
698364	Covalent_Unit_Count	1
64154	Isotope_Atom_Count	0
135624041	Defined_Bond_Stereo_Count	0
11153672	Isotope_Atom_Count	0
566503	TPSA	56.7
31284	Covalent_Unit_Count	1
6480466	Non-hydrogen_Atom_Count	38
51576	TPSA	63.6
99922	Hydrogen_Bond_Donor_Count	1
16065390	Hydrogen_Bond_Donor_Count	1
8739	Rotatable_Bond_Count	2
7368	Defined_Atom_Stereo_Count	0
53672	Hydrogen_Bond_Acceptor_Count	10
688563	Total_Formal_Charge	0
129015152	Undefined_Atom_Stereo_Count	0
129752646	Molecular_Weight	395.4
24621	Mono_Isotopic_Weight	161.885062
83899	Tautomer_Count	1
26964	TPSA	148
34676239	Hydrogen_Bond_Acceptor_Count	3
12775	Hydrogen_Bond_Donor_Count	1
17842471	Total_Formal_Charge	0
721947	Hydrogen_Bond_Donor_Count	0
4266	Undefined_Bond_Stereo_Count	0
57328385	XLogP3-AA	4.9
91845299	Rotatable_Bond_Count	4
94355	Non-hydrogen_Atom_Count	8
16197725	Tautomer_Count	986
135692718	TPSA	50.7
6973643	Defined_Atom_Stereo_Count	3
4816	Undefined_Atom_Stereo_Count	8
12171	Undefined_Atom_Stereo_Count	0
12186	Undefined_Bond_Stereo_Count	0
12497562	Undefined_Atom_Stereo_Count	1
71932	XLogP3-AA	4.9
163090691	Structure_Complexity	1370
4811	TPSA	44.8
12581088	Isotope_Atom_Count	0
44414758	XLogP3-AA	4.8
55241	Tautomer_Count	1
3086173	Mono_Isotopic_Weight	436.22631153
124770287	Rotatable_Bond_Count	3
11521066	Hydrogen_Bond_Acceptor_Count	2
85768913	Hydrogen_Bond_Donor_Count	0
68789	Exact_Mass	295.19475723
86671471	Mono_Isotopic_Weight	104.094963011
19100324	Hydrogen_Bond_Donor_Count	1
71457269	Hydrogen_Bond_Acceptor_Count	6
7495	Molecular_Weight	167.16
19016756	Total_Formal_Charge	0
4829	Mono_Isotopic_Weight	356.11946368
21617751	XLogP3-AA	0.3
48384	Hydrogen_Bond_Donor_Count	1
59087	XLogP3-AA	3.5
51357127	Structure_Complexity	614
51380895	Hydrogen_Bond_Donor_Count	1
136203056	Isotope_Atom_Count	0
57507663	Isotope_Atom_Count	0
58468	Undefined_Bond_Stereo_Count	0
124426476	Defined_Atom_Stereo_Count	8
91747288	Hydrogen_Bond_Acceptor_Count	2
56675795	Isotope_Atom_Count	0
13487610	Undefined_Bond_Stereo_Count	0
20426485	Exact_Mass	100.088815002
53320294	Undefined_Bond_Stereo_Count	0
6918178	Exact_Mass	484.1828081
101731271	Undefined_Bond_Stereo_Count	0
7233	Exact_Mass	350.329713967
59336	Undefined_Atom_Stereo_Count	0
656862	Mono_Isotopic_Weight	782.35606511
457	Hydrogen_Bond_Donor_Count	1
145994868	Total_Formal_Charge	0
23960	Hydrogen_Bond_Donor_Count	0
85296	Undefined_Bond_Stereo_Count	0
2734231	Non-hydrogen_Atom_Count	23
160312	Undefined_Bond_Stereo_Count	3
9060	TPSA	79.1
153683405	Covalent_Unit_Count	1
54120990	Undefined_Atom_Stereo_Count	0
35	Molecular_Weight	176.55
92434	Total_Formal_Charge	0
25780	Undefined_Atom_Stereo_Count	0
12579408	Exact_Mass	98.073164938
627458	Hydrogen_Bond_Acceptor_Count	2
18950548	Structure_Complexity	80.1
23262319	Total_Formal_Charge	0
22450938	Non-hydrogen_Atom_Count	12
19782039	Undefined_Atom_Stereo_Count	0
23276	Molecular_Weight	217.31
168707	Undefined_Atom_Stereo_Count	0
10357919	Hydrogen_Bond_Acceptor_Count	6
70991	Defined_Atom_Stereo_Count	0
11192	Hydrogen_Bond_Acceptor_Count	4
12656387	XLogP3-AA	0
4041	Hydrogen_Bond_Donor_Count	0
5367588	Molecular_Weight	110.20
58492	Rotatable_Bond_Count	3
35056	Rotatable_Bond_Count	1
87898	Molecular_Weight	223.14
67923265	Defined_Atom_Stereo_Count	0
10496498	Hydrogen_Bond_Donor_Count	0
752860	Total_Formal_Charge	0
54677946	Hydrogen_Bond_Donor_Count	1
881	Hydrogen_Bond_Donor_Count	0
19438038	Molecular_Weight	113.11
5472	Structure_Complexity	261
133082588	Rotatable_Bond_Count	4
58550573	XLogP3-AA	0.7
13624042	Molecular_Weight	95.10
70838	Covalent_Unit_Count	1
996	Structure_Complexity	46.1
141395	XLogP3-AA	2.2
12363650	Undefined_Atom_Stereo_Count	0
2282	Hydrogen_Bond_Acceptor_Count	9
440194	Exact_Mass	260.02971899
130589021	Undefined_Bond_Stereo_Count	0
755373	TPSA	87.4
2734236	Rotatable_Bond_Count	3
18004304	Mono_Isotopic_Weight	105.078978594
137326482	Covalent_Unit_Count	1
75646	TPSA	26
53393583	Isotope_Atom_Count	0
53806232	Undefined_Bond_Stereo_Count	1
13694	Hydrogen_Bond_Acceptor_Count	0
163050681	Total_Formal_Charge	0
26176	Total_Formal_Charge	0
636399	Isotope_Atom_Count	0
68517380	Non-hydrogen_Atom_Count	34
4294	Rotatable_Bond_Count	4
91469	Defined_Bond_Stereo_Count	0
11020	Mono_Isotopic_Weight	288.01095
5323974	Covalent_Unit_Count	1
115227	Isotope_Atom_Count	0
7248	Mono_Isotopic_Weight	121.089149355
94932	Undefined_Atom_Stereo_Count	0
23668002	Undefined_Bond_Stereo_Count	0
86289069	Total_Formal_Charge	0
10622871	Undefined_Bond_Stereo_Count	0
76217	Mono_Isotopic_Weight	82.041864811
258	Hydrogen_Bond_Acceptor_Count	7
36382	Hydrogen_Bond_Acceptor_Count	1
650572	Non-hydrogen_Atom_Count	27
12335	XLogP3	3.6
7146283	Rotatable_Bond_Count	4
23673837	Isotope_Atom_Count	0
79717	Undefined_Atom_Stereo_Count	0
24950485	Hydrogen_Bond_Acceptor_Count	10
824060	Covalent_Unit_Count	1
91259187	Exact_Mass	94.078250319
403648	Covalent_Unit_Count	1
245	Rotatable_Bond_Count	5
147059143	Total_Formal_Charge	0
67730	Tautomer_Count	1
136171075	Structure_Complexity	2500
7777	Rotatable_Bond_Count	6
99057	Isotope_Atom_Count	0
68787	Total_Formal_Charge	0
54586719	Non-hydrogen_Atom_Count	22
49968	Defined_Atom_Stereo_Count	0
82418980	Hydrogen_Bond_Acceptor_Count	4
13445116	Hydrogen_Bond_Donor_Count	0
3080818	Hydrogen_Bond_Donor_Count	1
5369129	Hydrogen_Bond_Acceptor_Count	3
70978	XLogP3-AA	1
54688261	Undefined_Bond_Stereo_Count	0
146743267	XLogP3-AA	1
7943	Defined_Bond_Stereo_Count	0
1438038	Undefined_Bond_Stereo_Count	0
139087394	Mono_Isotopic_Weight	492.18479
2453	Mono_Isotopic_Weight	300.87379
10286	Defined_Bond_Stereo_Count	0
137553931	Covalent_Unit_Count	1
21845248	Covalent_Unit_Count	1
164946899	Molecular_Weight	515.6
142243302	Isotope_Atom_Count	0
124584674	Covalent_Unit_Count	1
1549007	XLogP3-AA	5.6
691156	Defined_Bond_Stereo_Count	0
14868	Molecular_Weight	449.92
861	Mono_Isotopic_Weight	650.7901
163090692	Total_Formal_Charge	0
55191	Defined_Atom_Stereo_Count	0
65335	Isotope_Atom_Count	0
63546	Covalent_Unit_Count	1
14808025	Hydrogen_Bond_Donor_Count	1
4615	XLogP3-AA	4.1
54567	Covalent_Unit_Count	1
9403	Isotope_Atom_Count	0
117933221	Rotatable_Bond_Count	0
81099	Undefined_Atom_Stereo_Count	0
17587	Undefined_Bond_Stereo_Count	0
205954	Non-hydrogen_Atom_Count	37
10930781	Structure_Complexity	1580
658645	Undefined_Bond_Stereo_Count	0
446611	Undefined_Bond_Stereo_Count	0
107970	Isotope_Atom_Count	0
135052535	Exact_Mass	116.047344113
23038090	Total_Formal_Charge	0
439501	Isotope_Atom_Count	0
87064200	Undefined_Atom_Stereo_Count	0
67473	XLogP3	2.5
852933	Structure_Complexity	490
101176453	Molecular_Weight	1034.2
4640670	Exact_Mass	391.999290
7346	Non-hydrogen_Atom_Count	11
5504	Exact_Mass	160.100048391
73285	Defined_Atom_Stereo_Count	4
67736	Tautomer_Count	1
101882533	XLogP3-AA	2.7
10431444	Covalent_Unit_Count	1
642785	Molecular_Weight	110.11
941385	Undefined_Bond_Stereo_Count	0
20470942	Hydrogen_Bond_Acceptor_Count	2
23687325	Undefined_Bond_Stereo_Count	0
135499741	Mono_Isotopic_Weight	115.038176411
115374	Hydrogen_Bond_Donor_Count	1
77038	Rotatable_Bond_Count	4
135436520	Defined_Atom_Stereo_Count	0
62963	Undefined_Bond_Stereo_Count	0
1525	Undefined_Bond_Stereo_Count	0
82131	Exact_Mass	213.96294
19782023	Covalent_Unit_Count	1
948	Total_Formal_Charge	0
39507	Tautomer_Count	6
1551553	Undefined_Bond_Stereo_Count	0
18952325	TPSA	38.4
44394726	Defined_Atom_Stereo_Count	0
9950244	Rotatable_Bond_Count	4
1564	Molecular_Weight	265.71
13163928	Undefined_Bond_Stereo_Count	0
75645	Isotope_Atom_Count	0
39628	Molecular_Weight	349.4
145567316	Structure_Complexity	104
657201	Tautomer_Count	1
48305	Hydrogen_Bond_Acceptor_Count	3
6918090	Tautomer_Count	14
79302	TPSA	20.2
20751579	Undefined_Atom_Stereo_Count	5
522003	Hydrogen_Bond_Acceptor_Count	2
102601142	TPSA	110
11170949	Hydrogen_Bond_Acceptor_Count	2
13220	Undefined_Atom_Stereo_Count	0
3763	XLogP3	2.1
53712606	Mono_Isotopic_Weight	96.093900383
11953808	Total_Formal_Charge	0
40466862	Hydrogen_Bond_Donor_Count	3
54173839	XLogP3-AA	2.1
15789550	Structure_Complexity	68.5
16363	Hydrogen_Bond_Acceptor_Count	4
4970	Molecular_Weight	353.4
72200357	Defined_Bond_Stereo_Count	0
11957635	Molecular_Weight	246.73
66342	Defined_Atom_Stereo_Count	0
14464334	Defined_Bond_Stereo_Count	0
118388018	Molecular_Weight	114.06
80467969	Defined_Bond_Stereo_Count	0
9806615	Hydrogen_Bond_Acceptor_Count	11
5327131	Isotope_Atom_Count	0
74802	Defined_Bond_Stereo_Count	0
140172	Mono_Isotopic_Weight	96.032362755
89770232	Non-hydrogen_Atom_Count	23
132420	Undefined_Bond_Stereo_Count	0
10295295	Tautomer_Count	1
159278	Undefined_Bond_Stereo_Count	0
51253	Undefined_Bond_Stereo_Count	0
123133975	Isotope_Atom_Count	0
16682828	Hydrogen_Bond_Acceptor_Count	2
5486705	Covalent_Unit_Count	1
5354280	XLogP3-AA	2.9
941102	Exact_Mass	332.0927701
80265	Total_Formal_Charge	0
4986139	Mono_Isotopic_Weight	412.9658767
66308	Undefined_Bond_Stereo_Count	0
11243457	Isotope_Atom_Count	0
97456	XLogP3-AA	4.5
5536	Hydrogen_Bond_Acceptor_Count	6
92530	Defined_Bond_Stereo_Count	0
11224214	Molecular_Weight	431.5
45266545	Exact_Mass	862.09212908
15664	TPSA	25.8
67371	Hydrogen_Bond_Acceptor_Count	6
87112	TPSA	43.4
2795887	Undefined_Bond_Stereo_Count	0
87552098	Undefined_Bond_Stereo_Count	0
5293	Undefined_Atom_Stereo_Count	4
3080714	Tautomer_Count	53
136237316	TPSA	101
136703	Non-hydrogen_Atom_Count	8
22408685	Non-hydrogen_Atom_Count	7
94744	TPSA	63.3
5779	Exact_Mass	150.05282342
13233	TPSA	75.9
89158693	Hydrogen_Bond_Donor_Count	1
64302	XLogP3-AA	6.2
72207931	Isotope_Atom_Count	0
94746	Exact_Mass	114.068079557
585	Undefined_Atom_Stereo_Count	0
71743826	Rotatable_Bond_Count	1
10975405	Undefined_Atom_Stereo_Count	0
53316385	Covalent_Unit_Count	1
76223995	Hydrogen_Bond_Acceptor_Count	1
153929434	Undefined_Bond_Stereo_Count	0
9833652	TPSA	491
3361	Undefined_Atom_Stereo_Count	2
3090	Defined_Atom_Stereo_Count	0
68109743	Hydrogen_Bond_Acceptor_Count	6
25245365	Rotatable_Bond_Count	9
442866	Molecular_Weight	261.27
121893	Undefined_Atom_Stereo_Count	0
16049448	TPSA	144
44455386	TPSA	179
61230	Isotope_Atom_Count	0
5284402	Defined_Atom_Stereo_Count	0
53735	XLogP3-AA	1.8
36781	TPSA	21.3
7145	TPSA	0
102161032	Covalent_Unit_Count	1
53241828	Non-hydrogen_Atom_Count	28
46830487	Covalent_Unit_Count	1
102521938	Isotope_Atom_Count	0
129980649	Hydrogen_Bond_Donor_Count	1
60602	Undefined_Atom_Stereo_Count	0
123816513	Hydrogen_Bond_Donor_Count	1
233979	Hydrogen_Bond_Acceptor_Count	2
57121306	Isotope_Atom_Count	0
123601	Molecular_Weight	275.77
13025413	Structure_Complexity	91.8
2905	Hydrogen_Bond_Acceptor_Count	4
22967031	Hydrogen_Bond_Acceptor_Count	2
17390	Mono_Isotopic_Weight	221.141578849
70234124	Defined_Bond_Stereo_Count	0
65628	Undefined_Bond_Stereo_Count	0
60196415	Hydrogen_Bond_Acceptor_Count	4
17754438	Covalent_Unit_Count	1
475319	Isotope_Atom_Count	0
104428	Rotatable_Bond_Count	6
123868	Mono_Isotopic_Weight	146.105527694
102334657	Undefined_Atom_Stereo_Count	0
11396	Molecular_Weight	156.22
6166	Defined_Bond_Stereo_Count	0
7499	Total_Formal_Charge	0
8753	Mono_Isotopic_Weight	339.2692779
501391	Undefined_Bond_Stereo_Count	0
6540640	Covalent_Unit_Count	1
6451148	Hydrogen_Bond_Donor_Count	0
4402648	Hydrogen_Bond_Donor_Count	2
25196164	Defined_Atom_Stereo_Count	0
6590	Covalent_Unit_Count	1
9238	Mono_Isotopic_Weight	136.125200510
66255	Tautomer_Count	8
39971	Total_Formal_Charge	0
867	TPSA	74.6
636401	Rotatable_Bond_Count	3
154734215	Undefined_Bond_Stereo_Count	0
23678596	Covalent_Unit_Count	3
87946	Total_Formal_Charge	0
24974448	Total_Formal_Charge	0
62857	Molecular_Weight	345.8
76922	Undefined_Bond_Stereo_Count	0
5667	Rotatable_Bond_Count	10
55291303	Hydrogen_Bond_Acceptor_Count	2
50385	Molecular_Weight	364.4
71343993	Mono_Isotopic_Weight	103.063328530
91468	XLogP3-AA	1.1
10351178	Covalent_Unit_Count	1
23080446	Defined_Atom_Stereo_Count	0
216262	Structure_Complexity	643
642326	Exact_Mass	99.104799419
47318	Molecular_Weight	226.3
24196	Defined_Bond_Stereo_Count	0
12148754	TPSA	98.7
97171	Undefined_Bond_Stereo_Count	0
54697325	Defined_Atom_Stereo_Count	4
21144838	Structure_Complexity	320
197490	Defined_Bond_Stereo_Count	0
413519	Total_Formal_Charge	1
3014017	TPSA	37.3
19594968	Isotope_Atom_Count	0
5899068	Mono_Isotopic_Weight	274.08412354
152031	Undefined_Bond_Stereo_Count	0
11194304	TPSA	28.7
129851390	Hydrogen_Bond_Donor_Count	3
11163584	Hydrogen_Bond_Acceptor_Count	5
4377	Hydrogen_Bond_Donor_Count	2
249	Covalent_Unit_Count	1
754695	Hydrogen_Bond_Acceptor_Count	6
2539	Covalent_Unit_Count	1
67963	Rotatable_Bond_Count	0
10964588	Hydrogen_Bond_Donor_Count	0
4571243	TPSA	13
14895680	Isotope_Atom_Count	0
11988953	Undefined_Atom_Stereo_Count	0
6436219	Rotatable_Bond_Count	1
73240	Structure_Complexity	1610
12868288	Exact_Mass	114.104465066
5381214	TPSA	170
972025	Structure_Complexity	361
71358911	Non-hydrogen_Atom_Count	8
114709	Isotope_Atom_Count	0
54682938	Undefined_Bond_Stereo_Count	0
54102072	Molecular_Weight	106.13
6433556	Defined_Atom_Stereo_Count	2
15178985	Undefined_Bond_Stereo_Count	0
15981237	Mono_Isotopic_Weight	434.0297083
1205040	Total_Formal_Charge	0
8918	Non-hydrogen_Atom_Count	13
701594	Covalent_Unit_Count	1
1899	Isotope_Atom_Count	0
9324	Rotatable_Bond_Count	3
8914	Mono_Isotopic_Weight	144.151415257
5055	Exact_Mass	152.047344113
11217523	Hydrogen_Bond_Acceptor_Count	2
6419984	Exact_Mass	317.11106656
8055	Tautomer_Count	1
23581869	Defined_Atom_Stereo_Count	0
4337	Rotatable_Bond_Count	14
5284610	Exact_Mass	1084.47265329
20200448	Covalent_Unit_Count	1
4868	Molecular_Weight	1203.5
26877	XLogP3	1.5
19090	Rotatable_Bond_Count	1
242515	Tautomer_Count	1
8196	Covalent_Unit_Count	1
16697	Defined_Atom_Stereo_Count	0
9843941	Tautomer_Count	1
2758725	Structure_Complexity	87.1
18213	Rotatable_Bond_Count	2
13528037	Tautomer_Count	7
2076	TPSA	155
95866	Isotope_Atom_Count	0
73278	Covalent_Unit_Count	1
57829	Hydrogen_Bond_Acceptor_Count	1
54682536	Hydrogen_Bond_Acceptor_Count	14
4011971	Rotatable_Bond_Count	2
69333875	Undefined_Atom_Stereo_Count	0
82418987	Isotope_Atom_Count	0
54690173	Structure_Complexity	1290
131664136	Structure_Complexity	2660
15664	Exact_Mass	184.100048391
11673	Defined_Atom_Stereo_Count	0
45358014	Covalent_Unit_Count	3
14221	Isotope_Atom_Count	0
80467969	TPSA	20.2
22220113	TPSA	59.2
96327588	Molecular_Weight	527.5
5284448	Tautomer_Count	1
12545025	Defined_Atom_Stereo_Count	0
32068	XLogP3	3.3
92843	Hydrogen_Bond_Donor_Count	3
14682	Hydrogen_Bond_Acceptor_Count	1
90393	Isotope_Atom_Count	0
79081	Structure_Complexity	52.1
3923	Defined_Bond_Stereo_Count	0
76583	Hydrogen_Bond_Donor_Count	0
4106	Undefined_Bond_Stereo_Count	0
404289	Defined_Bond_Stereo_Count	0
604519	Tautomer_Count	2
145842551	Structure_Complexity	114
23675747	Undefined_Bond_Stereo_Count	0
154824089	Molecular_Weight	397.5
53796209	TPSA	29.5
124143	Undefined_Bond_Stereo_Count	0
2010	Isotope_Atom_Count	0
6951563	Defined_Atom_Stereo_Count	0
443003	TPSA	60.8
101059324	Defined_Bond_Stereo_Count	0
16275	Non-hydrogen_Atom_Count	8
9957854	Structure_Complexity	743
40273	Exact_Mass	200.0604073
2798315	Exact_Mass	284.02893460
44438318	Total_Formal_Charge	0
4313918	Mono_Isotopic_Weight	155.02185764
66379	Molecular_Weight	411.36
834	Defined_Atom_Stereo_Count	0
21720414	Defined_Bond_Stereo_Count	0
129680036	Rotatable_Bond_Count	1
99	TPSA	389
141875437	Isotope_Atom_Count	0
11697219	Hydrogen_Bond_Donor_Count	2
10433	Defined_Bond_Stereo_Count	0
54531644	Exact_Mass	102.068079557
47316	TPSA	106
15953353	Non-hydrogen_Atom_Count	30
56928187	Hydrogen_Bond_Acceptor_Count	10
90916291	Isotope_Atom_Count	0
18506491	Covalent_Unit_Count	2
20820	Covalent_Unit_Count	1
24875318	Undefined_Bond_Stereo_Count	0
141112	Covalent_Unit_Count	1
53743621	Total_Formal_Charge	0
8106	Molecular_Weight	118.24
15021647	Defined_Atom_Stereo_Count	0
86052146	Rotatable_Bond_Count	3
98719	Molecular_Weight	255.40
11519741	Covalent_Unit_Count	2
760	Tautomer_Count	1
2845	Undefined_Atom_Stereo_Count	5
13658862	Total_Formal_Charge	0
33778657	Undefined_Bond_Stereo_Count	0
12487834	TPSA	40.9
146474223	Covalent_Unit_Count	1
9797657	Exact_Mass	295.11839862
69140538	TPSA	47.6
264891	Rotatable_Bond_Count	11
123803633	Total_Formal_Charge	0
1548886	Defined_Atom_Stereo_Count	0
9223	Covalent_Unit_Count	1
37508	Hydrogen_Bond_Donor_Count	0
171284	Hydrogen_Bond_Acceptor_Count	13
62876	TPSA	18.5
33627	Undefined_Bond_Stereo_Count	0
6360	Structure_Complexity	4.8
5476	Exact_Mass	320.11428167
177168	Defined_Atom_Stereo_Count	0
363272	Hydrogen_Bond_Acceptor_Count	2
25151504	Undefined_Atom_Stereo_Count	0
6436870	Defined_Bond_Stereo_Count	1
263086	TPSA	61.1
10909502	XLogP3	1.7
3035657	Tautomer_Count	2
59600546	Hydrogen_Bond_Acceptor_Count	4
11485	Hydrogen_Bond_Acceptor_Count	1
64862	Tautomer_Count	11
22134406	Mono_Isotopic_Weight	113.047678466
7896	Undefined_Atom_Stereo_Count	1
398517	TPSA	100
375860	Tautomer_Count	3
587322	Exact_Mass	419.972292
2039	Tautomer_Count	1
66587017	Total_Formal_Charge	0
221387	Total_Formal_Charge	0
8562	Hydrogen_Bond_Acceptor_Count	3
129652979	Isotope_Atom_Count	0
9279	Structure_Complexity	474
6292	Isotope_Atom_Count	0
443868	Structure_Complexity	917
757	Hydrogen_Bond_Donor_Count	2
56841889	Defined_Atom_Stereo_Count	4
129847429	Molecular_Weight	360.38
2764407	Total_Formal_Charge	0
21349800	Defined_Bond_Stereo_Count	0
6325	Defined_Bond_Stereo_Count	0
118689592	Exact_Mass	665.30474055
417452	Covalent_Unit_Count	1
89155	XLogP3-AA	2.7
15570483	Hydrogen_Bond_Acceptor_Count	0
3038501	Mono_Isotopic_Weight	333.13247072
12315192	Covalent_Unit_Count	1
46910264	Defined_Atom_Stereo_Count	0
59755734	Hydrogen_Bond_Acceptor_Count	1
11626384	Molecular_Weight	441.9
434207	XLogP3-AA	3.4
9571080	Defined_Bond_Stereo_Count	1
5318386	Rotatable_Bond_Count	5
133662560	Structure_Complexity	151
24802109	Mono_Isotopic_Weight	310.1811912
60834	Molecular_Weight	333.9
10473088	Hydrogen_Bond_Donor_Count	4
61305	Undefined_Bond_Stereo_Count	0
10001337	Undefined_Atom_Stereo_Count	0
54691418	TPSA	85.2
2723630	Molecular_Weight	150.3
19385892	Exact_Mass	88.100048391
14022519	TPSA	166
60196303	Rotatable_Bond_Count	1
11182588	Undefined_Atom_Stereo_Count	1
84336	Covalent_Unit_Count	1
448051	Mono_Isotopic_Weight	290.06677320
28876	TPSA	33.6
37646	Hydrogen_Bond_Acceptor_Count	2
39131	Mono_Isotopic_Weight	218.141913202
4678	Undefined_Bond_Stereo_Count	0
54682541	Exact_Mass	1024.3123164
10278	Hydrogen_Bond_Donor_Count	6
10364	Covalent_Unit_Count	1
5282517	Molecular_Weight	654.6
6436006	Total_Formal_Charge	0
16050553	Structure_Complexity	648
62325	Exact_Mass	106.0185425
19704592	Rotatable_Bond_Count	0
158849	Molecular_Weight	1028.8
20834260	Isotope_Atom_Count	0
9533	Total_Formal_Charge	0
398631	Hydrogen_Bond_Acceptor_Count	4
24977223	Structure_Complexity	124
96865	TPSA	29.1
51987	XLogP3	1.5
60054	Hydrogen_Bond_Donor_Count	3
5367719	XLogP3-AA	1.9
2318	Undefined_Bond_Stereo_Count	0
44570889	Undefined_Atom_Stereo_Count	0
3050432	Defined_Atom_Stereo_Count	0
334	Non-hydrogen_Atom_Count	29
146159752	Defined_Bond_Stereo_Count	0
69656	Undefined_Bond_Stereo_Count	0
12358497	TPSA	12.5
129808802	Hydrogen_Bond_Donor_Count	1
66615627	Defined_Bond_Stereo_Count	0
71713948	TPSA	101
99027	Structure_Complexity	43.3
10435	Mono_Isotopic_Weight	111.05449518
79877	Isotope_Atom_Count	0
2775003	Mono_Isotopic_Weight	115.063328530
5351489	Rotatable_Bond_Count	2
20259182	Isotope_Atom_Count	0
23158108	Hydrogen_Bond_Acceptor_Count	1
57284788	Hydrogen_Bond_Acceptor_Count	2
5437	Total_Formal_Charge	0
122356	Molecular_Weight	130.19
24900937	Hydrogen_Bond_Donor_Count	4
826	Defined_Bond_Stereo_Count	0
5702238	Undefined_Bond_Stereo_Count	0
53724680	Defined_Atom_Stereo_Count	0
34755	Structure_Complexity	527
5284656	Non-hydrogen_Atom_Count	13
18757800	Undefined_Bond_Stereo_Count	0
84354	Molecular_Weight	369.70
164	Defined_Atom_Stereo_Count	0
12310	Hydrogen_Bond_Acceptor_Count	0
65360	Defined_Bond_Stereo_Count	0
44455701	Non-hydrogen_Atom_Count	38
3034010	Defined_Bond_Stereo_Count	0
59856471	Hydrogen_Bond_Acceptor_Count	9
41969	Tautomer_Count	2
64962	Defined_Bond_Stereo_Count	0
521962	Undefined_Atom_Stereo_Count	1
45356876	Hydrogen_Bond_Donor_Count	1
139692	Covalent_Unit_Count	1
439524	Hydrogen_Bond_Donor_Count	2
56841653	Undefined_Atom_Stereo_Count	0
22273548	TPSA	124
25008593	Hydrogen_Bond_Acceptor_Count	8
16051947	Hydrogen_Bond_Acceptor_Count	11
752646	TPSA	110
139595130	Exact_Mass	527.23263824
179336	Undefined_Bond_Stereo_Count	0
47462	Mono_Isotopic_Weight	334.9937240
447573	Hydrogen_Bond_Donor_Count	4
16757572	Molecular_Weight	584.0
21806652	Hydrogen_Bond_Acceptor_Count	1
13707492	Rotatable_Bond_Count	2
248370	Undefined_Atom_Stereo_Count	0
88093945	TPSA	60.7
5280891	TPSA	104
52944681	Exact_Mass	399.13944780
181	Undefined_Bond_Stereo_Count	0
90771306	Undefined_Bond_Stereo_Count	0
69968	Total_Formal_Charge	0
173411	Hydrogen_Bond_Acceptor_Count	9
16141649	Non-hydrogen_Atom_Count	125
33474	Hydrogen_Bond_Acceptor_Count	3
38855	Defined_Atom_Stereo_Count	0
22772	Rotatable_Bond_Count	2
17898580	Molecular_Weight	100.16
12487265	Molecular_Weight	116.11
2122	Undefined_Atom_Stereo_Count	1
12961638	Molecular_Weight	879.9
126969054	Covalent_Unit_Count	1
70695705	Covalent_Unit_Count	1
97865	Rotatable_Bond_Count	4
52732	Rotatable_Bond_Count	11
9797360	Defined_Atom_Stereo_Count	0
4949	Hydrogen_Bond_Donor_Count	0
11676068	Molecular_Weight	417.9
109291	Tautomer_Count	1
160212	Molecular_Weight	211.64
44310254	Mono_Isotopic_Weight	382.1578689
136703	Molecular_Weight	114.10
62683	Defined_Bond_Stereo_Count	0
71884	Undefined_Bond_Stereo_Count	0
20470942	XLogP3-AA	0.4
101365708	Molecular_Weight	113.12
62478	Non-hydrogen_Atom_Count	11
736500	Rotatable_Bond_Count	1
19843	Exact_Mass	210.136827821
38693	TPSA	53
2416	Covalent_Unit_Count	1
21162821	Exact_Mass	116.083729621
27531	Total_Formal_Charge	0
2853	Rotatable_Bond_Count	8
25102	Molecular_Weight	370.4
162786624	Total_Formal_Charge	0
107681	Hydrogen_Bond_Acceptor_Count	8
57370827	Rotatable_Bond_Count	0
36245	Rotatable_Bond_Count	1
5311266	Non-hydrogen_Atom_Count	13
56623654	Exact_Mass	112.063662883
65084	Molecular_Weight	306.27
337359	XLogP3-AA	0.7
53848219	Hydrogen_Bond_Donor_Count	0
30930	Structure_Complexity	83.7
44158859	Molecular_Weight	190.19
43859	Mono_Isotopic_Weight	390.0789499
446871	Molecular_Weight	466.4
311434	Hydrogen_Bond_Donor_Count	2
51629	Defined_Bond_Stereo_Count	0
46936613	Covalent_Unit_Count	1
2893	Total_Formal_Charge	0
10931404	Mono_Isotopic_Weight	114.068079557
64930	Rotatable_Bond_Count	3
2574	Exact_Mass	182.11676108
11115	Molecular_Weight	236.31
25093485	TPSA	79.4
5324584	Defined_Atom_Stereo_Count	0
43708	Defined_Bond_Stereo_Count	0
4906599	Covalent_Unit_Count	1
5362124	Defined_Bond_Stereo_Count	0
131709156	Covalent_Unit_Count	5
16130957	Undefined_Atom_Stereo_Count	0
66828839	Undefined_Bond_Stereo_Count	0
11432307	Structure_Complexity	777
59557415	Non-hydrogen_Atom_Count	8
9983292	Exact_Mass	496.24341814
394156	Hydrogen_Bond_Donor_Count	1
135442966	Mono_Isotopic_Weight	964.0137114
135749823	Hydrogen_Bond_Donor_Count	5
22278	Hydrogen_Bond_Donor_Count	0
15732451	Hydrogen_Bond_Acceptor_Count	3
2588	Defined_Bond_Stereo_Count	0
129829002	TPSA	47
64738	Non-hydrogen_Atom_Count	21
5966	Undefined_Atom_Stereo_Count	0
135398569	Defined_Atom_Stereo_Count	4
144915389	Rotatable_Bond_Count	0
692670	Structure_Complexity	432
13166771	Defined_Atom_Stereo_Count	0
7017620	TPSA	38
3033842	Hydrogen_Bond_Acceptor_Count	3
64432	XLogP3-AA	3
19063360	Isotope_Atom_Count	0
45006148	Hydrogen_Bond_Donor_Count	1
36027	Undefined_Bond_Stereo_Count	0
9877351	Covalent_Unit_Count	1
11029787	Rotatable_Bond_Count	2
53677339	Defined_Atom_Stereo_Count	0
81080	Exact_Mass	254.15180918
12171	Structure_Complexity	73.3
433294	Mono_Isotopic_Weight	41.9848561
5353760	Molecular_Weight	268.39
2734087	TPSA	12.9
26651	Non-hydrogen_Atom_Count	30
135643052	Mono_Isotopic_Weight	224.07970687
85695	Exact_Mass	211.06920175
1118	Defined_Atom_Stereo_Count	0
97991	Mono_Isotopic_Weight	175.099714038
10215	Defined_Atom_Stereo_Count	0
130165	Hydrogen_Bond_Donor_Count	1
71342	Tautomer_Count	5
56675037	Non-hydrogen_Atom_Count	30
39727	Tautomer_Count	1
3334	Isotope_Atom_Count	0
369373	Structure_Complexity	301
13740574	Isotope_Atom_Count	0
140655119	Hydrogen_Bond_Donor_Count	1
472	XLogP3-AA	1.1
54562506	Defined_Atom_Stereo_Count	0
3321	Total_Formal_Charge	0
65513	Molecular_Weight	307.14
130128141	Isotope_Atom_Count	0
23677676	Defined_Atom_Stereo_Count	0
71743843	Structure_Complexity	136
23663989	Defined_Atom_Stereo_Count	0
85824359	Non-hydrogen_Atom_Count	8
7115	Covalent_Unit_Count	1
9425	Isotope_Atom_Count	0
55804	Molecular_Weight	217.69
81432	Undefined_Atom_Stereo_Count	0
22168583	Defined_Bond_Stereo_Count	0
56603655	XLogP3-AA	0.5
39185	Hydrogen_Bond_Donor_Count	0
127657	Mono_Isotopic_Weight	373.945032
23662264	Hydrogen_Bond_Acceptor_Count	1
12434511	Hydrogen_Bond_Acceptor_Count	2
6641	Molecular_Weight	270.4
29971	Covalent_Unit_Count	1
146776289	Hydrogen_Bond_Donor_Count	0
175512	Rotatable_Bond_Count	8
92722	Molecular_Weight	508.6
14222	Molecular_Weight	185.35
2408	Structure_Complexity	503
100933147	Total_Formal_Charge	0
53340666	XLogP3-AA	3.4
3025720	Total_Formal_Charge	0
221125	Covalent_Unit_Count	1
12695798	Total_Formal_Charge	0
184	Isotope_Atom_Count	0
11423566	Defined_Atom_Stereo_Count	0
54718618	Exact_Mass	460.07454252
22020033	Structure_Complexity	137
193168	Hydrogen_Bond_Donor_Count	2
23704140	Non-hydrogen_Atom_Count	40
16732167	Rotatable_Bond_Count	2
192857	Covalent_Unit_Count	2
22833874	Hydrogen_Bond_Acceptor_Count	97
55288198	Non-hydrogen_Atom_Count	8
25201794	Defined_Bond_Stereo_Count	0
7771	Total_Formal_Charge	0
88300	Molecular_Weight	296.4
75747	Defined_Bond_Stereo_Count	0
73755067	Defined_Atom_Stereo_Count	5
130872	TPSA	165
38359009	Covalent_Unit_Count	1
53403306	Exact_Mass	111.079647300
17856440	Hydrogen_Bond_Acceptor_Count	2
38333	Mono_Isotopic_Weight	177.042593085
11865435	Total_Formal_Charge	0
14535398	Covalent_Unit_Count	1
65552	Molecular_Weight	747.83
165363121	Mono_Isotopic_Weight	273.0781231
86354	Exact_Mass	333.1607901
2202	Exact_Mass	226.062994177
43193	Exact_Mass	305.97529
859	Isotope_Atom_Count	0
5320547	Mono_Isotopic_Weight	296.307915895
55281352	Undefined_Bond_Stereo_Count	0
163050679	Non-hydrogen_Atom_Count	20
8159	Tautomer_Count	1
36667	Hydrogen_Bond_Acceptor_Count	1
28523	Total_Formal_Charge	0
49778730	Molecular_Weight	448.5
11953895	Mono_Isotopic_Weight	297.948962
7615	Defined_Bond_Stereo_Count	0
56680336	Hydrogen_Bond_Acceptor_Count	8
11832800	Defined_Atom_Stereo_Count	0
23077956	Defined_Bond_Stereo_Count	0
50925625	Undefined_Bond_Stereo_Count	0
55	Exact_Mass	654.53758147
527633	XLogP3	1
23679056	Undefined_Bond_Stereo_Count	0
23551594	Rotatable_Bond_Count	0
71661158	Defined_Bond_Stereo_Count	0
11569967	Exact_Mass	451.24958677
22349217	Structure_Complexity	110
440624	Exact_Mass	300.17254462
19083150	Non-hydrogen_Atom_Count	11
59283	Defined_Atom_Stereo_Count	0
746471	Rotatable_Bond_Count	3
22418719	Total_Formal_Charge	0
21540	Molecular_Weight	183.21
72199432	Defined_Bond_Stereo_Count	0
13317841	Defined_Atom_Stereo_Count	0
64040	Undefined_Bond_Stereo_Count	0
84614	Hydrogen_Bond_Acceptor_Count	4
11115032	Hydrogen_Bond_Donor_Count	14
443115	Undefined_Bond_Stereo_Count	0
46205737	Exact_Mass	618.43563558
461399	Rotatable_Bond_Count	3
8590	XLogP3-AA	3.8
8678	Mono_Isotopic_Weight	182.105527694
21054637	Undefined_Atom_Stereo_Count	1
38703	Isotope_Atom_Count	0
126968645	Rotatable_Bond_Count	11
9131	Undefined_Bond_Stereo_Count	0
25058167	Hydrogen_Bond_Donor_Count	1
145521	Undefined_Atom_Stereo_Count	0
6440717	Total_Formal_Charge	0
95380	Covalent_Unit_Count	1
151476	Hydrogen_Bond_Acceptor_Count	2
72828705	Molecular_Weight	224.30
5030	Exact_Mass	536.39542454
10029970	Undefined_Atom_Stereo_Count	1
44191096	TPSA	51.2
5413	Hydrogen_Bond_Acceptor_Count	0
4472	XLogP3	0.9
62795	Exact_Mass	453.25152322
19502	Hydrogen_Bond_Donor_Count	0
543047	Mono_Isotopic_Weight	114.068079557
79450	Mono_Isotopic_Weight	136.063662883
134688993	Total_Formal_Charge	0
84658	TPSA	28.7
14958952	Isotope_Atom_Count	0
299664	Tautomer_Count	36
91707	Covalent_Unit_Count	1
3367	Undefined_Atom_Stereo_Count	4
123964614	Exact_Mass	94.078250319
44603531	Undefined_Bond_Stereo_Count	0
4366885	Defined_Bond_Stereo_Count	0
7983	Non-hydrogen_Atom_Count	10
45479278	Mono_Isotopic_Weight	907.62168176
414773	Undefined_Atom_Stereo_Count	0
86412	Undefined_Atom_Stereo_Count	0
136212897	Isotope_Atom_Count	0
674188	Undefined_Atom_Stereo_Count	0
10685477	Defined_Bond_Stereo_Count	0
21452007	Non-hydrogen_Atom_Count	11
47297	Non-hydrogen_Atom_Count	19
9889168	Defined_Bond_Stereo_Count	0
2723856	Molecular_Weight	89.14
11243457	Covalent_Unit_Count	2
53689772	Molecular_Weight	108.10
20588866	Undefined_Atom_Stereo_Count	0
54676038	Mono_Isotopic_Weight	336.06338810
123585399	Non-hydrogen_Atom_Count	7
11498	Rotatable_Bond_Count	9
5771	Defined_Bond_Stereo_Count	0
32122	Undefined_Atom_Stereo_Count	1
98086793	Undefined_Atom_Stereo_Count	0
12572	Covalent_Unit_Count	1
10949861	Non-hydrogen_Atom_Count	1
3037456	XLogP3-AA	3.2
331	Structure_Complexity	116
5994	Covalent_Unit_Count	1
66602237	Isotope_Atom_Count	0
9868491	Non-hydrogen_Atom_Count	32
12295391	Hydrogen_Bond_Acceptor_Count	4
15347676	Exact_Mass	111.079647300
538141	TPSA	35.3
163284948	Hydrogen_Bond_Acceptor_Count	19
715513	Covalent_Unit_Count	1
26089	Defined_Atom_Stereo_Count	0
57780676	Defined_Bond_Stereo_Count	0
12913751	Mono_Isotopic_Weight	120.043596145
6204	Covalent_Unit_Count	1
60196338	Molecular_Weight	936.0
71341351	Mono_Isotopic_Weight	194.094294304
572565	Mono_Isotopic_Weight	108.043596145
9570757	Rotatable_Bond_Count	8
675901	TPSA	129
5283313	Hydrogen_Bond_Acceptor_Count	2
62428	Rotatable_Bond_Count	4
44123551	Undefined_Bond_Stereo_Count	0
5460324	XLogP3-AA	2.4
14104	XLogP3	3.8
24759089	Undefined_Atom_Stereo_Count	0
14852098	Rotatable_Bond_Count	2
220401	TPSA	66
5464097	Molecular_Weight	402.5
668620	Mono_Isotopic_Weight	310.13511374
21643653	Isotope_Atom_Count	0
5487542	Undefined_Bond_Stereo_Count	0
141772581	Total_Formal_Charge	0
10901	Hydrogen_Bond_Donor_Count	1
65015	Non-hydrogen_Atom_Count	36
9919001	Hydrogen_Bond_Acceptor_Count	16
1505	Covalent_Unit_Count	1
5497143	Molecular_Weight	835.6
10474339	Mono_Isotopic_Weight	370.0332044
141330	Defined_Atom_Stereo_Count	0
9549284	Hydrogen_Bond_Donor_Count	2
3082780	TPSA	32.3
16213872	Defined_Bond_Stereo_Count	0
77049	Defined_Bond_Stereo_Count	0
90473076	Hydrogen_Bond_Donor_Count	5
59904965	Molecular_Weight	21.065
1269	Molecular_Weight	534.7
1548992	Total_Formal_Charge	0
34040	Molecular_Weight	484.4
62705862	Total_Formal_Charge	0
21996	Defined_Bond_Stereo_Count	0
534439	Molecular_Weight	114.19
3392711	TPSA	18.5
70686373	Structure_Complexity	574
125127450	Molecular_Weight	665.7
65775	Isotope_Atom_Count	0
132941102	Rotatable_Bond_Count	67
415	Mono_Isotopic_Weight	192.089877630
2734040	Molecular_Weight	377.2
92843	Mono_Isotopic_Weight	188.11609238
83883	Rotatable_Bond_Count	6
20382	Undefined_Bond_Stereo_Count	0
24490	Covalent_Unit_Count	1
11474	Tautomer_Count	1
10080320	Undefined_Bond_Stereo_Count	0
18622383	TPSA	39.9
134922506	Isotope_Atom_Count	0
443951	Molecular_Weight	340.5
131708911	Hydrogen_Bond_Donor_Count	1
17887248	Hydrogen_Bond_Donor_Count	2
16136912	Defined_Atom_Stereo_Count	22
6940	Exact_Mass	199.94729
23000709	TPSA	64.9
176163	Undefined_Atom_Stereo_Count	1
102506015	Non-hydrogen_Atom_Count	20
102430914	Undefined_Bond_Stereo_Count	0
54572793	TPSA	45.1
3016754	Undefined_Atom_Stereo_Count	0
3140	Hydrogen_Bond_Donor_Count	0
60594	Covalent_Unit_Count	1
71573986	Structure_Complexity	873
20653386	Mono_Isotopic_Weight	108.057514874
47965	Covalent_Unit_Count	1
40469150	Hydrogen_Bond_Acceptor_Count	11
16686	Defined_Bond_Stereo_Count	0
54006055	Exact_Mass	243.162314293
22386168	Isotope_Atom_Count	0
58708317	Hydrogen_Bond_Acceptor_Count	8
140945	Hydrogen_Bond_Donor_Count	0
9957854	Molecular_Weight	506.6
2737136	Hydrogen_Bond_Acceptor_Count	7
14852454	TPSA	38
242364	Rotatable_Bond_Count	1
21887872	Rotatable_Bond_Count	0
82140	Isotope_Atom_Count	0
130904	Mono_Isotopic_Weight	475.27225866
11538502	Hydrogen_Bond_Donor_Count	2
22263	Defined_Bond_Stereo_Count	0
6604909	Defined_Atom_Stereo_Count	1
140606019	Undefined_Atom_Stereo_Count	1
67938	Rotatable_Bond_Count	0
60165658	Total_Formal_Charge	0
68748	Covalent_Unit_Count	1
54341391	Molecular_Weight	94.15
9579578	Defined_Atom_Stereo_Count	1
159	Exact_Mass	352.22497412
15081	Rotatable_Bond_Count	0
126755973	Hydrogen_Bond_Acceptor_Count	2
169969	Total_Formal_Charge	0
80319	Defined_Atom_Stereo_Count	0
8366	TPSA	79.1
50856	Exact_Mass	216.1029409
25144319	Defined_Atom_Stereo_Count	0
11284169	Exact_Mass	543.26545920
6544	Hydrogen_Bond_Acceptor_Count	1
135398645	Rotatable_Bond_Count	7
21975	Covalent_Unit_Count	4
86601564	Total_Formal_Charge	0
143647928	Mono_Isotopic_Weight	97.052763847
147594753	Exact_Mass	112.063662883
521156	Isotope_Atom_Count	0
57013	XLogP3-AA	3.8
480242	Covalent_Unit_Count	1
97702	Defined_Bond_Stereo_Count	0
584	Isotope_Atom_Count	0
67247971	TPSA	75.3
108043	Hydrogen_Bond_Acceptor_Count	6
89131	Structure_Complexity	320
69089	XLogP3-AA	1.9
5281035	TPSA	12
52766	Exact_Mass	274.11398438
162501	Undefined_Bond_Stereo_Count	0
138231	Molecular_Weight	88.15
19163	Undefined_Bond_Stereo_Count	0
140606019	TPSA	34
65442	Mono_Isotopic_Weight	160.07355886
159889	Structure_Complexity	315
1412	TPSA	77.8
16760207	Undefined_Atom_Stereo_Count	0
17858	Undefined_Bond_Stereo_Count	0
20282	Defined_Atom_Stereo_Count	0
57236595	TPSA	46.5
23667568	Defined_Atom_Stereo_Count	0
13170	Structure_Complexity	254
4720	TPSA	80.9
10887879	Total_Formal_Charge	0
14320623	Structure_Complexity	130
15559065	Undefined_Bond_Stereo_Count	0
138539	Rotatable_Bond_Count	1
54685920	Hydrogen_Bond_Donor_Count	7
3277480	Defined_Atom_Stereo_Count	0
58013	Defined_Atom_Stereo_Count	0
53859791	Isotope_Atom_Count	0
4612	Defined_Atom_Stereo_Count	0
787717	Rotatable_Bond_Count	3
137212229	Exact_Mass	87.043261792
26129	Undefined_Atom_Stereo_Count	0
123504	Hydrogen_Bond_Acceptor_Count	2
62871	TPSA	61.3
10931	Non-hydrogen_Atom_Count	7
16124688	Rotatable_Bond_Count	1
22153558	Non-hydrogen_Atom_Count	6
66419	Hydrogen_Bond_Donor_Count	2
91461198	Hydrogen_Bond_Donor_Count	1
60196380	Undefined_Bond_Stereo_Count	0
14140995	Covalent_Unit_Count	1
12581088	Exact_Mass	110.084398327
3884	Exact_Mass	242.094294304
66687596	Undefined_Bond_Stereo_Count	0
347475	Total_Formal_Charge	0
59991562	Non-hydrogen_Atom_Count	8
94508	Isotope_Atom_Count	0
13020083	Hydrogen_Bond_Acceptor_Count	10
135448133	Undefined_Atom_Stereo_Count	9
165708195	Molecular_Weight	110.15
11407412	Undefined_Atom_Stereo_Count	0
258030	Exact_Mass	127.0188769
5459973	Non-hydrogen_Atom_Count	11
53487990	Undefined_Bond_Stereo_Count	0
628181	Hydrogen_Bond_Donor_Count	1
1837	Structure_Complexity	203
11333	Exact_Mass	342.11621151
53668108	Molecular_Weight	112.13
134693241	Mono_Isotopic_Weight	383.20563565
11355438	Hydrogen_Bond_Acceptor_Count	2
4932	Defined_Bond_Stereo_Count	0
71583269	TPSA	91.8
14094186	Exact_Mass	99.043261792
125110	Rotatable_Bond_Count	1
10184774	Defined_Bond_Stereo_Count	0
78638	Hydrogen_Bond_Acceptor_Count	3
2471	Hydrogen_Bond_Donor_Count	3
10129928	Isotope_Atom_Count	0
84647611	Non-hydrogen_Atom_Count	7
20465	Hydrogen_Bond_Donor_Count	1
636367	Total_Formal_Charge	0
4330531	Non-hydrogen_Atom_Count	27
90757303	Defined_Bond_Stereo_Count	0
6539029	Covalent_Unit_Count	1
6857474	Hydrogen_Bond_Donor_Count	2
836002	Hydrogen_Bond_Acceptor_Count	2
980806	Total_Formal_Charge	0
130224237	Undefined_Bond_Stereo_Count	0
65422334	Defined_Bond_Stereo_Count	0
121194	Exact_Mass	146.02802627
147614	Undefined_Atom_Stereo_Count	0
1549026	Rotatable_Bond_Count	6
2779183	Isotope_Atom_Count	0
53862531	Hydrogen_Bond_Donor_Count	1
5284627	Rotatable_Bond_Count	3
5282349	TPSA	29.5
67899	Undefined_Atom_Stereo_Count	0
8209	Molecular_Weight	214.39
57404290	Undefined_Atom_Stereo_Count	1
91059724	Undefined_Atom_Stereo_Count	1
6538991	Undefined_Atom_Stereo_Count	1
12721	Undefined_Bond_Stereo_Count	1
2853	Structure_Complexity	856
22225706	Non-hydrogen_Atom_Count	7
6918003	Mono_Isotopic_Weight	348.1716891
15798	Covalent_Unit_Count	1
9855476	Defined_Atom_Stereo_Count	0
61141	Hydrogen_Bond_Donor_Count	0
542420	Isotope_Atom_Count	0
12248932	Isotope_Atom_Count	0
12223113	TPSA	0
4993	Covalent_Unit_Count	1
9954739	Total_Formal_Charge	0
96066	Total_Formal_Charge	0
5311426	Isotope_Atom_Count	0
442972	Covalent_Unit_Count	1
44263854	Isotope_Atom_Count	0
10086446	Hydrogen_Bond_Donor_Count	0
77050446	Defined_Atom_Stereo_Count	0
22263	Defined_Atom_Stereo_Count	0
3321360	Structure_Complexity	149
6436055	Undefined_Atom_Stereo_Count	0
67873	TPSA	0
11970252	Mono_Isotopic_Weight	342.11621151
3295	Hydrogen_Bond_Donor_Count	1
19354533	Covalent_Unit_Count	1
6992028	Hydrogen_Bond_Donor_Count	1
25056915	Isotope_Atom_Count	0
160312	XLogP3-AA	3.7
13205839	TPSA	29
11966124	Rotatable_Bond_Count	32
37250	Molecular_Weight	360.9
11867	Total_Formal_Charge	0
10992	XLogP3	3.6
78043	Structure_Complexity	135
86785	Molecular_Weight	100.16
45168044	Exact_Mass	482.17764726
2724054	Non-hydrogen_Atom_Count	31
68424	Defined_Bond_Stereo_Count	0
93706	TPSA	52.6
21474	Defined_Atom_Stereo_Count	0
80376	Undefined_Bond_Stereo_Count	0
21894213	Covalent_Unit_Count	1
5353500	Non-hydrogen_Atom_Count	35
6537431	Hydrogen_Bond_Donor_Count	3
107905	TPSA	177
23616906	Hydrogen_Bond_Acceptor_Count	5
42509	Hydrogen_Bond_Acceptor_Count	2
4140	Covalent_Unit_Count	1
1289	Structure_Complexity	448
37541	TPSA	62.2
10898559	Defined_Atom_Stereo_Count	13
25243853	Molecular_Weight	436.5
12598	Total_Formal_Charge	0
12901	Non-hydrogen_Atom_Count	19
2443	Molecular_Weight	654.6
638678	Defined_Bond_Stereo_Count	0
77991	Rotatable_Bond_Count	5
13855	Defined_Bond_Stereo_Count	0
4551	TPSA	51.1
92180	Non-hydrogen_Atom_Count	15
3960	Total_Formal_Charge	0
76220109	Mono_Isotopic_Weight	109.052763847
124328800	Total_Formal_Charge	0
6079	Undefined_Bond_Stereo_Count	0
9934492	Covalent_Unit_Count	2
45109807	Defined_Bond_Stereo_Count	0
6419965	Isotope_Atom_Count	0
135678081	Hydrogen_Bond_Acceptor_Count	12
640997	Rotatable_Bond_Count	3
9864687	Total_Formal_Charge	0
9568637	TPSA	261
6437405	Covalent_Unit_Count	1
64085466	Isotope_Atom_Count	0
448374	Mono_Isotopic_Weight	267.09675391
60613	Total_Formal_Charge	0
102855	Undefined_Atom_Stereo_Count	1
97135	Non-hydrogen_Atom_Count	16
138322	Structure_Complexity	154
164668700	Defined_Atom_Stereo_Count	0
71356656	Hydrogen_Bond_Donor_Count	0
137704662	Undefined_Bond_Stereo_Count	0
2795425	Defined_Atom_Stereo_Count	0
4629	Covalent_Unit_Count	1
121957	Mono_Isotopic_Weight	308.319149284
46854655	TPSA	46.5
49843517	Hydrogen_Bond_Donor_Count	2
71517528	Covalent_Unit_Count	1
3083546	Mono_Isotopic_Weight	408.0499972
12760727	Covalent_Unit_Count	1
22751786	Undefined_Atom_Stereo_Count	0
107715	Covalent_Unit_Count	1
19962896	Undefined_Bond_Stereo_Count	0
61103	Hydrogen_Bond_Acceptor_Count	0
14783	Hydrogen_Bond_Acceptor_Count	1
67085	Exact_Mass	422.07428
22630	TPSA	31.2
5287855	Hydrogen_Bond_Acceptor_Count	7
44370729	Structure_Complexity	344
73680	Isotope_Atom_Count	0
3034655	Defined_Atom_Stereo_Count	7
105037	Tautomer_Count	1
11454753	Mono_Isotopic_Weight	495.26208790
15652148	Molecular_Weight	125.13
444215	Isotope_Atom_Count	0
5415	Hydrogen_Bond_Donor_Count	7
21014990	Defined_Bond_Stereo_Count	0
542762	Hydrogen_Bond_Acceptor_Count	2
69089	Undefined_Atom_Stereo_Count	0
10251906	Defined_Bond_Stereo_Count	0
60196318	Tautomer_Count	1
82047	Total_Formal_Charge	0
12215992	Non-hydrogen_Atom_Count	8
30196	Total_Formal_Charge	0
25272022	Undefined_Atom_Stereo_Count	0
4143	TPSA	104
3356745	Defined_Atom_Stereo_Count	0
71057888	Covalent_Unit_Count	1
87161809	Hydrogen_Bond_Acceptor_Count	3
12314962	Undefined_Atom_Stereo_Count	9
3036443	Defined_Atom_Stereo_Count	4
235414	Undefined_Bond_Stereo_Count	0
5433	Exact_Mass	355.0047991
59910362	Undefined_Atom_Stereo_Count	1
100299	Structure_Complexity	532
24916869	Molecular_Weight	678.6
10877070	Total_Formal_Charge	0
70684298	Hydrogen_Bond_Acceptor_Count	4
6971097	Exact_Mass	180.06338810
67259543	XLogP3-AA	1.2
45086609	Defined_Atom_Stereo_Count	1
1520	TPSA	13
12240030	Covalent_Unit_Count	1
92421	Undefined_Bond_Stereo_Count	0
58230405	Rotatable_Bond_Count	8
81239	Isotope_Atom_Count	0
23676735	TPSA	77.4
71795	Undefined_Bond_Stereo_Count	0
1607	Exact_Mass	168.05349212
12245073	Structure_Complexity	62.7
25022340	Undefined_Atom_Stereo_Count	0
40467008	Mono_Isotopic_Weight	363.10146788
6539005	Structure_Complexity	458
25162926	Exact_Mass	583.23212480
4671	Rotatable_Bond_Count	16
5312978	Isotope_Atom_Count	0
44456889	Structure_Complexity	469
16473	Isotope_Atom_Count	0
89789628	Structure_Complexity	81.8
131747	Isotope_Atom_Count	0
12576587	Structure_Complexity	78.1
36082	Hydrogen_Bond_Donor_Count	1
10240768	Defined_Bond_Stereo_Count	0
5476374	Structure_Complexity	34.5
180089	TPSA	68.6
5364448	Structure_Complexity	53.1
564558	Molecular_Weight	168.23
441130	Rotatable_Bond_Count	5
1251	TPSA	40.5
16229	Mono_Isotopic_Weight	385.21138974
62816	Defined_Bond_Stereo_Count	0
44257207	Undefined_Bond_Stereo_Count	0
58460047	Isotope_Atom_Count	0
34885	Rotatable_Bond_Count	4
6887	Exact_Mass	204.187800766
1201479	TPSA	44.6
53840809	Undefined_Bond_Stereo_Count	0
25137911	Undefined_Atom_Stereo_Count	1
17902163	Molecular_Weight	113.07
3055174	TPSA	93.1
34991	Hydrogen_Bond_Acceptor_Count	6
443605	Total_Formal_Charge	0
14454	XLogP3-AA	1.6
8210	XLogP3	1.9
164550	Hydrogen_Bond_Acceptor_Count	5
56983443	Undefined_Atom_Stereo_Count	0
123895	Defined_Atom_Stereo_Count	1
698851	Hydrogen_Bond_Donor_Count	0
8506	Structure_Complexity	652
51759	Molecular_Weight	482.6
21563	Defined_Bond_Stereo_Count	0
9961434	Structure_Complexity	802
54169147	Undefined_Atom_Stereo_Count	0
7982	Undefined_Atom_Stereo_Count	0
20585	Total_Formal_Charge	1
122553	XLogP3-AA	2.7
44563066	TPSA	84.7
102069	Non-hydrogen_Atom_Count	32
71601	Rotatable_Bond_Count	0
135484549	TPSA	184
31243	Isotope_Atom_Count	0
79811	Defined_Atom_Stereo_Count	0
75806	Rotatable_Bond_Count	3
16387	Total_Formal_Charge	0
114845	Defined_Bond_Stereo_Count	0
68075820	Non-hydrogen_Atom_Count	8
11062432	Total_Formal_Charge	0
129671450	Undefined_Atom_Stereo_Count	0
29761	Rotatable_Bond_Count	11
9403	Non-hydrogen_Atom_Count	29
57401205	Defined_Atom_Stereo_Count	0
221071	Defined_Atom_Stereo_Count	4
76376	Total_Formal_Charge	1
11483754	TPSA	52.3
2723949	TPSA	58.1
70696348	Total_Formal_Charge	0
49858248	Defined_Atom_Stereo_Count	0
133640201	Exact_Mass	280.16745924
54568416	Covalent_Unit_Count	1
69657541	XLogP3-AA	1.1
102004403	Hydrogen_Bond_Donor_Count	11
14379827	Total_Formal_Charge	0
55414	Structure_Complexity	317
87035	Hydrogen_Bond_Donor_Count	2
40469210	Hydrogen_Bond_Donor_Count	2
22601	Defined_Bond_Stereo_Count	0
21874242	Hydrogen_Bond_Acceptor_Count	13
104981	Defined_Atom_Stereo_Count	0
80483237	Mono_Isotopic_Weight	108.057514874
45051637	Structure_Complexity	19.1
9786	Structure_Complexity	240
9620	Total_Formal_Charge	0
444360	Defined_Atom_Stereo_Count	1
16329	Undefined_Bond_Stereo_Count	0
18520896	Hydrogen_Bond_Donor_Count	0
6440511	Isotope_Atom_Count	0
264090	Hydrogen_Bond_Donor_Count	0
418587	Covalent_Unit_Count	3
57396950	Isotope_Atom_Count	0
12268623	XLogP3-AA	1.1
7628	Exact_Mass	62.0175241
22480816	Rotatable_Bond_Count	1
131709170	Molecular_Weight	1355.4
44408641	Structure_Complexity	491
50224	Undefined_Bond_Stereo_Count	0
55250	Total_Formal_Charge	0
89494913	Exact_Mass	114.079312947
6918188	Mono_Isotopic_Weight	733.15140
88959077	Hydrogen_Bond_Donor_Count	1
69135	Total_Formal_Charge	0
15365	Hydrogen_Bond_Donor_Count	0
6844	Mono_Isotopic_Weight	188.047344113
138117	Rotatable_Bond_Count	5
50514	Rotatable_Bond_Count	9
22078	Defined_Bond_Stereo_Count	0
547064	Mono_Isotopic_Weight	86.073164938
53565	Undefined_Atom_Stereo_Count	0
71346	Exact_Mass	454.17737247
65217	Mono_Isotopic_Weight	380.0927701
80230	Rotatable_Bond_Count	0
20764676	XLogP3-AA	3
398641	XLogP3-AA	2.2
11228765	Defined_Atom_Stereo_Count	0
19787449	Isotope_Atom_Count	0
85989631	XLogP3-AA	2.1
44456	Hydrogen_Bond_Donor_Count	3
72075	TPSA	6.5
91740	Defined_Atom_Stereo_Count	0
39605	Non-hydrogen_Atom_Count	6
57515953	Hydrogen_Bond_Acceptor_Count	7
9501	Defined_Bond_Stereo_Count	0
28563239	Molecular_Weight	99.13
593578	Isotope_Atom_Count	0
123936	Molecular_Weight	281.33
18696583	Defined_Atom_Stereo_Count	0
644007	Defined_Atom_Stereo_Count	4
14020430	XLogP3-AA	0.4
6919175	Undefined_Bond_Stereo_Count	0
11315250	Total_Formal_Charge	0
3763454	Undefined_Atom_Stereo_Count	1
142834	Undefined_Atom_Stereo_Count	0
13243	Mono_Isotopic_Weight	181.03750770
96458	Defined_Atom_Stereo_Count	0
182176	Isotope_Atom_Count	0
45356890	Mono_Isotopic_Weight	352.1012268
318158	Exact_Mass	112.052429494
24202578	Total_Formal_Charge	0
72	Mono_Isotopic_Weight	154.02660867
5283741	Structure_Complexity	688
10442928	XLogP3-AA	5
516875	Undefined_Bond_Stereo_Count	0
54684461	Defined_Atom_Stereo_Count	6
19782479	Hydrogen_Bond_Acceptor_Count	2
14923234	Total_Formal_Charge	0
140233815	Defined_Bond_Stereo_Count	0
2771871	Hydrogen_Bond_Donor_Count	1
16126651	Total_Formal_Charge	0
20571541	Defined_Bond_Stereo_Count	0
969491	Rotatable_Bond_Count	0
54686764	Rotatable_Bond_Count	2
11351021	Undefined_Atom_Stereo_Count	0
98764	TPSA	202
440113	Hydrogen_Bond_Acceptor_Count	2
20275	Mono_Isotopic_Weight	254.05315
11105318	Hydrogen_Bond_Acceptor_Count	1
49217	Structure_Complexity	337
81459	Rotatable_Bond_Count	1
688691	XLogP3-AA	2
6992028	Covalent_Unit_Count	1
3354	Hydrogen_Bond_Acceptor_Count	5
656603	Total_Formal_Charge	1
19789137	Mono_Isotopic_Weight	144.115029749
123604326	Non-hydrogen_Atom_Count	8
3055174	XLogP3	3
73437612	Molecular_Weight	768.5
56955067	Hydrogen_Bond_Acceptor_Count	2
1328	Undefined_Atom_Stereo_Count	0
3157	Structure_Complexity	678
22487040	Non-hydrogen_Atom_Count	23
15920952	XLogP3-AA	1
57110036	Undefined_Atom_Stereo_Count	0
23219736	Rotatable_Bond_Count	2
5443	Non-hydrogen_Atom_Count	10
134158431	Covalent_Unit_Count	1
60150204	Covalent_Unit_Count	1
16331	XLogP3-AA	1
146367450	Isotope_Atom_Count	0
9895035	Hydrogen_Bond_Acceptor_Count	6
436542	XLogP3-AA	3.3
11405875	Exact_Mass	364.0978555
121957	XLogP3-AA	5.8
55011	Exact_Mass	200.01297080
411817	XLogP3	3.7
57060020	Rotatable_Bond_Count	1
5289373	Mono_Isotopic_Weight	430.23553880
20172	Non-hydrogen_Atom_Count	30
5352905	Rotatable_Bond_Count	3
65422334	Exact_Mass	114.104465066
225147	Exact_Mass	116.083729621
53486702	Exact_Mass	388.03102
42512	Covalent_Unit_Count	1
199539	Undefined_Bond_Stereo_Count	0
83860	Total_Formal_Charge	0
736052	Covalent_Unit_Count	1
6427080	Undefined_Atom_Stereo_Count	0
239215	Molecular_Weight	112.13
23668194	Total_Formal_Charge	0
40466988	XLogP3-AA	1.8
44661643	Molecular_Weight	665.7
54192233	XLogP3-AA	1.4
22491624	Undefined_Atom_Stereo_Count	0
7951	TPSA	52
96380	Non-hydrogen_Atom_Count	15
15088	Molecular_Weight	194.18
102249560	Hydrogen_Bond_Donor_Count	3
45085047	Molecular_Weight	114.10
3283968	Exact_Mass	118.062994177
172285	Defined_Atom_Stereo_Count	0
89908	Total_Formal_Charge	0
74764517	Undefined_Bond_Stereo_Count	1
5205	Exact_Mass	261.151749610
12185	Rotatable_Bond_Count	3
219023	Hydrogen_Bond_Donor_Count	1
2137	Undefined_Bond_Stereo_Count	0
51	Hydrogen_Bond_Acceptor_Count	5
128229	Mono_Isotopic_Weight	822.40378589
13400658	Molecular_Weight	87.12
11271	Structure_Complexity	72.4
314710	Exact_Mass	171.99426317
3973230	Defined_Atom_Stereo_Count	0
135697	TPSA	50.4
14178853	Non-hydrogen_Atom_Count	30
8376	Hydrogen_Bond_Donor_Count	0
522516	Structure_Complexity	35.1
45357	Non-hydrogen_Atom_Count	17
22078	Defined_Atom_Stereo_Count	0
14539800	Structure_Complexity	659
4633	Hydrogen_Bond_Acceptor_Count	5
10464455	Total_Formal_Charge	0
104881	Total_Formal_Charge	0
137148307	TPSA	140
136796	Defined_Bond_Stereo_Count	0
60196375	Molecular_Weight	587.7
6433547	Exact_Mass	168.151415257
54129211	Molecular_Weight	94.11
9897412	Structure_Complexity	1370
16490	Isotope_Atom_Count	0
44299	Defined_Bond_Stereo_Count	0
60196269	TPSA	182
447877	Undefined_Bond_Stereo_Count	0
7287	Total_Formal_Charge	0
135398658	Hydrogen_Bond_Acceptor_Count	10
46943432	Hydrogen_Bond_Acceptor_Count	5
749560	Covalent_Unit_Count	1
76968505	Non-hydrogen_Atom_Count	23
71545	Undefined_Atom_Stereo_Count	0
4800713	Hydrogen_Bond_Donor_Count	1
42095	Isotope_Atom_Count	0
24822135	TPSA	43.6
134687906	Non-hydrogen_Atom_Count	59
533854	Hydrogen_Bond_Donor_Count	1
71309208	Undefined_Atom_Stereo_Count	0
14078849	XLogP3-AA	4
7015	Non-hydrogen_Atom_Count	13
12856218	Isotope_Atom_Count	0
44455386	Rotatable_Bond_Count	6
11235729	Isotope_Atom_Count	0
60740	TPSA	37.3
13871	Total_Formal_Charge	0
44864	Defined_Atom_Stereo_Count	0
4273	TPSA	86.1
73285	Isotope_Atom_Count	0
637541	Isotope_Atom_Count	0
135565884	Defined_Atom_Stereo_Count	1
13586830	Mono_Isotopic_Weight	98.000393922
4737	Rotatable_Bond_Count	4
17995818	Structure_Complexity	94.4
44146693	Undefined_Bond_Stereo_Count	0
23690927	Isotope_Atom_Count	0
64821	Covalent_Unit_Count	1
80009	Defined_Atom_Stereo_Count	0
544629	Exact_Mass	99.068413911
10823	Structure_Complexity	61.4
12607584	Hydrogen_Bond_Acceptor_Count	2
140732872	Defined_Atom_Stereo_Count	0
102358067	TPSA	50.8
16051942	Non-hydrogen_Atom_Count	27
16220109	Mono_Isotopic_Weight	182.130679813
44148067	Isotope_Atom_Count	0
93538	Isotope_Atom_Count	0
132274234	Total_Formal_Charge	0
142912303	Hydrogen_Bond_Acceptor_Count	2
447180	Covalent_Unit_Count	1
11518211	Mono_Isotopic_Weight	458.11232743
45609	Total_Formal_Charge	0
6450813	Structure_Complexity	574
6570	Molecular_Weight	70.09
162059	Molecular_Weight	214.5
15509898	Covalent_Unit_Count	1
458821	TPSA	92.5
16217852	Exact_Mass	125.047678466
25200943	Undefined_Atom_Stereo_Count	0
12052005	Total_Formal_Charge	0
134694008	Covalent_Unit_Count	1
66342	Structure_Complexity	309
101670359	XLogP3-AA	6.5
10004622	XLogP3-AA	5.9
10239769	Molecular_Weight	555.6
104609	XLogP3-AA	2.7
70693583	Rotatable_Bond_Count	6
5330790	Hydrogen_Bond_Donor_Count	3
8882	Defined_Bond_Stereo_Count	0
41628	Molecular_Weight	391.4
6077765	Hydrogen_Bond_Donor_Count	1
16659677	Hydrogen_Bond_Donor_Count	3
14106	Hydrogen_Bond_Donor_Count	2
176453	Exact_Mass	368.047779
21560064	Non-hydrogen_Atom_Count	8
19918	Hydrogen_Bond_Donor_Count	0
11245700	Isotope_Atom_Count	0
25185	Molecular_Weight	168.28
136060	Non-hydrogen_Atom_Count	8
24883466	TPSA	279
4913256	Non-hydrogen_Atom_Count	7
136500	Mono_Isotopic_Weight	99.01427034
89068	Isotope_Atom_Count	0
79051	Mono_Isotopic_Weight	116.094963011
13150069	Non-hydrogen_Atom_Count	8
1949	Molecular_Weight	448.4
67541	Structure_Complexity	263
81080	Covalent_Unit_Count	1
13037934	Rotatable_Bond_Count	15
92043261	Rotatable_Bond_Count	3
19022508	Covalent_Unit_Count	1
12672	TPSA	0
88784945	Defined_Atom_Stereo_Count	0
5459213	Defined_Atom_Stereo_Count	3
61900360	Undefined_Atom_Stereo_Count	0
11779786	Undefined_Atom_Stereo_Count	0
5289531	Defined_Bond_Stereo_Count	0
448513	Molecular_Weight	150.18
159325	Structure_Complexity	889
65651	Rotatable_Bond_Count	4
7086	Isotope_Atom_Count	0
12201383	Defined_Atom_Stereo_Count	0
5533	XLogP3-AA	2.8
7756	Hydrogen_Bond_Acceptor_Count	2
80220	Exact_Mass	166.04907545
101602	Defined_Bond_Stereo_Count	0
69049742	Total_Formal_Charge	0
69370	Defined_Bond_Stereo_Count	0
44429	Undefined_Bond_Stereo_Count	0
11956149	TPSA	43.1
15887953	TPSA	38.4
44123456	Isotope_Atom_Count	0
146540	Exact_Mass	194.0377538
838	Total_Formal_Charge	0
14570995	Rotatable_Bond_Count	1
111026	Tautomer_Count	1
619	TPSA	98
9869776	Mono_Isotopic_Weight	480.16045993
3017597	Isotope_Atom_Count	0
72741573	XLogP3-AA	0.8
58040	Defined_Atom_Stereo_Count	0
4141783	Undefined_Bond_Stereo_Count	0
107805	Undefined_Atom_Stereo_Count	0
7055	TPSA	0
66304	Exact_Mass	154.054751968
688510	XLogP3-AA	3.1
36020	Non-hydrogen_Atom_Count	19
66207	Structure_Complexity	8
90485	Rotatable_Bond_Count	5
19013934	Isotope_Atom_Count	0
71430	TPSA	98.4
3081387	Defined_Bond_Stereo_Count	0
649	Isotope_Atom_Count	0
18432427	Rotatable_Bond_Count	2
3041256	Defined_Atom_Stereo_Count	2
31953	Non-hydrogen_Atom_Count	35
7846	Total_Formal_Charge	0
5735	Molecular_Weight	388.8
11137427	Defined_Atom_Stereo_Count	0
23960	Defined_Bond_Stereo_Count	0
95496	Molecular_Weight	195.20
439240	Structure_Complexity	117
54270986	Exact_Mass	339.97701816
19040	Isotope_Atom_Count	0
583337	Exact_Mass	177.078978594
359	Non-hydrogen_Atom_Count	9
993	Defined_Atom_Stereo_Count	0
11539235	Rotatable_Bond_Count	6
14816327	Mono_Isotopic_Weight	113.084063974
72854	Defined_Bond_Stereo_Count	0
197835	Hydrogen_Bond_Donor_Count	0
39897	Molecular_Weight	475.5
91554777	Defined_Atom_Stereo_Count	0
72187522	Undefined_Bond_Stereo_Count	0
11684	Hydrogen_Bond_Acceptor_Count	2
91772	Undefined_Atom_Stereo_Count	0
131704245	Undefined_Atom_Stereo_Count	0
66703794	Exact_Mass	171.05449518
15677	Undefined_Bond_Stereo_Count	0
104944	Mono_Isotopic_Weight	94.041864811
74411	Covalent_Unit_Count	1
16772299	Structure_Complexity	57.2
46407	Undefined_Bond_Stereo_Count	0
642792	Undefined_Bond_Stereo_Count	0
87962	Hydrogen_Bond_Donor_Count	1
590596	XLogP3-AA	1.3
15599	Isotope_Atom_Count	0
54726191	Defined_Bond_Stereo_Count	0
12302654	Molecular_Weight	342.30
68674	Total_Formal_Charge	0
3694570	XLogP3-AA	3.9
14654469	Mono_Isotopic_Weight	105.078978594
6440554	Defined_Atom_Stereo_Count	3
23616864	Rotatable_Bond_Count	0
71541098	Rotatable_Bond_Count	1
13049377	Defined_Atom_Stereo_Count	0
40475911	Defined_Atom_Stereo_Count	1
57183917	Defined_Atom_Stereo_Count	0
20790054	Undefined_Bond_Stereo_Count	0
447339	Defined_Atom_Stereo_Count	0
83096	Hydrogen_Bond_Donor_Count	0
158032	XLogP3	4.4
7438	Covalent_Unit_Count	1
9623	Isotope_Atom_Count	0
11625778	Undefined_Atom_Stereo_Count	0
53707229	Non-hydrogen_Atom_Count	7
53407792	Covalent_Unit_Count	1
31364	Structure_Complexity	205
6410734	Molecular_Weight	351.8
20055528	Hydrogen_Bond_Acceptor_Count	36
57395447	Covalent_Unit_Count	1
65263	Undefined_Bond_Stereo_Count	0
2762693	Undefined_Bond_Stereo_Count	0
9396	Undefined_Bond_Stereo_Count	1
160647	Rotatable_Bond_Count	8
65575055	Hydrogen_Bond_Acceptor_Count	1
124770289	Mono_Isotopic_Weight	665.30474055
20448997	Undefined_Atom_Stereo_Count	2
5446	Exact_Mass	168.09727168
156432753	Hydrogen_Bond_Donor_Count	3
2723766	Undefined_Bond_Stereo_Count	0
168379	Rotatable_Bond_Count	6
14497	Mono_Isotopic_Weight	118.00885060
29373	Defined_Bond_Stereo_Count	0
191101	Undefined_Atom_Stereo_Count	0
76715077	Covalent_Unit_Count	1
8811	Molecular_Weight	264.32
119101	Undefined_Atom_Stereo_Count	0
156580481	Covalent_Unit_Count	1
126011	XLogP3	0.7
9570290	XLogP3	4.4
70263	Total_Formal_Charge	0
4697	Molecular_Weight	435.6
54180751	Structure_Complexity	85.4
102239760	Structure_Complexity	1410
136461	Mono_Isotopic_Weight	66.0469501914
162883446	Non-hydrogen_Atom_Count	36
10194504	Defined_Bond_Stereo_Count	0
6441057	Mono_Isotopic_Weight	252.208930132
3017661	Defined_Bond_Stereo_Count	0
77676	Exact_Mass	136.01941529
3734	Structure_Complexity	583
10820489	Total_Formal_Charge	0
219018	Undefined_Bond_Stereo_Count	0
2794811	Total_Formal_Charge	0
67502	Undefined_Atom_Stereo_Count	0
19077501	XLogP3-AA	4.1
749	Mono_Isotopic_Weight	434.23113938
138402869	Non-hydrogen_Atom_Count	32
89094825	TPSA	18.5
12544790	Hydrogen_Bond_Acceptor_Count	1
30270	Undefined_Bond_Stereo_Count	0
11229	Defined_Atom_Stereo_Count	0
544	Tautomer_Count	1
105426997	Total_Formal_Charge	0
512289	Hydrogen_Bond_Acceptor_Count	1
7764	Tautomer_Count	1
56659408	Rotatable_Bond_Count	13
15228410	Exact_Mass	114.068079557
18967822	Hydrogen_Bond_Donor_Count	0
10104496	Hydrogen_Bond_Acceptor_Count	4
91490309	Hydrogen_Bond_Acceptor_Count	3
54569113	Undefined_Atom_Stereo_Count	0
13418386	Mono_Isotopic_Weight	112.100048391
11768551	Covalent_Unit_Count	1
219023	Covalent_Unit_Count	1
9549180	Defined_Atom_Stereo_Count	3
84179	Exact_Mass	163.099714038
53763275	Total_Formal_Charge	0
66041	XLogP3-AA	3.5
3042	Molecular_Weight	309.5
6855	Non-hydrogen_Atom_Count	19
269395	Covalent_Unit_Count	1
7987	Undefined_Bond_Stereo_Count	0
138540	Hydrogen_Bond_Donor_Count	1
68600	Undefined_Bond_Stereo_Count	0
6875	Exact_Mass	248.152477885
3641725	TPSA	105
90532	Defined_Atom_Stereo_Count	0
5650	Undefined_Atom_Stereo_Count	1
44273397	XLogP3-AA	4
123839315	Covalent_Unit_Count	1
68739990	Structure_Complexity	104
489129	XLogP3-AA	2
15950376	XLogP3-AA	3.8
5330175	Non-hydrogen_Atom_Count	31
70235	Defined_Atom_Stereo_Count	0
89748954	Hydrogen_Bond_Acceptor_Count	1
712377	Structure_Complexity	160
121891	XLogP3-AA	3
91469693	Covalent_Unit_Count	1
448718	Undefined_Atom_Stereo_Count	0
5149	Undefined_Atom_Stereo_Count	3
89805	Mono_Isotopic_Weight	176.02958605
11289	Rotatable_Bond_Count	6
6918558	Covalent_Unit_Count	1
52940883	Structure_Complexity	622
123628273	Covalent_Unit_Count	1
18445434	Molecular_Weight	102.14
68321947	Undefined_Atom_Stereo_Count	1
475320	XLogP3	0.8
10173277	TPSA	84.8
5473310	Mono_Isotopic_Weight	286.04773803
70689445	Molecular_Weight	446.3
105	Non-hydrogen_Atom_Count	11
658645	Undefined_Atom_Stereo_Count	2
16040270	Exact_Mass	194.134502709
54158	Exact_Mass	386.04773
94960	Tautomer_Count	12
3062280	Undefined_Bond_Stereo_Count	0
31307	Defined_Atom_Stereo_Count	8
18381542	Non-hydrogen_Atom_Count	28
14163	Hydrogen_Bond_Donor_Count	0
22238581	Undefined_Bond_Stereo_Count	0
4041	Defined_Atom_Stereo_Count	0
72604488	Total_Formal_Charge	0
82047	Exact_Mass	280.05177804
7146288	Structure_Complexity	427
12963076	TPSA	16.1
13247016	Undefined_Bond_Stereo_Count	0
295971	Tautomer_Count	1
22704	Hydrogen_Bond_Donor_Count	1
6659	Rotatable_Bond_Count	2
130537941	Rotatable_Bond_Count	4
17705	Defined_Atom_Stereo_Count	0
1212	Rotatable_Bond_Count	3
67589	Defined_Atom_Stereo_Count	0
5353622	Hydrogen_Bond_Donor_Count	4
44423248	Defined_Bond_Stereo_Count	0
13743295	Hydrogen_Bond_Donor_Count	0
23655	Mono_Isotopic_Weight	311.2015923
102426204	Rotatable_Bond_Count	6
694647	Exact_Mass	246.06269769
12386877	Covalent_Unit_Count	1
5464097	Hydrogen_Bond_Donor_Count	3
3578945	Exact_Mass	140.9510097
41043	Undefined_Atom_Stereo_Count	0
16	Isotope_Atom_Count	0
58501	Undefined_Atom_Stereo_Count	0
22450283	Undefined_Bond_Stereo_Count	0
89769286	Rotatable_Bond_Count	2
7428	Covalent_Unit_Count	1
6279	Undefined_Atom_Stereo_Count	0
88154	Mono_Isotopic_Weight	252.17254462
5451	TPSA	327
57395178	Hydrogen_Bond_Donor_Count	0
20274687	XLogP3-AA	0
903738	Defined_Bond_Stereo_Count	0
30571	Covalent_Unit_Count	1
19284	Isotope_Atom_Count	0
3529	Molecular_Weight	670.9
57750312	Exact_Mass	505.1662866
62705690	Covalent_Unit_Count	1
13707457	Hydrogen_Bond_Donor_Count	0
101598717	TPSA	23.6
84605	Structure_Complexity	129
4337	Structure_Complexity	1260
1637	Rotatable_Bond_Count	8
129677105	Defined_Bond_Stereo_Count	0
60182	Undefined_Atom_Stereo_Count	1
175	TPSA	40.1
46533	Tautomer_Count	1
26035	Rotatable_Bond_Count	4
4141306	Rotatable_Bond_Count	7
73455777	Undefined_Atom_Stereo_Count	2
12599701	Hydrogen_Bond_Donor_Count	1
27436	Covalent_Unit_Count	1
11194305	Rotatable_Bond_Count	0
3863	Hydrogen_Bond_Acceptor_Count	4
4369080	Mono_Isotopic_Weight	427.01960774
13574952	Molecular_Weight	118.13
21246587	Defined_Bond_Stereo_Count	1
21617086	XLogP3-AA	0.4
11389368	Hydrogen_Bond_Acceptor_Count	2
47104	Defined_Bond_Stereo_Count	0
3796	Covalent_Unit_Count	1
10649	Structure_Complexity	532
62870	Undefined_Bond_Stereo_Count	0
4068533	Non-hydrogen_Atom_Count	6
23891	Hydrogen_Bond_Acceptor_Count	2
49866022	Covalent_Unit_Count	1
19422150	Isotope_Atom_Count	0
582708	Undefined_Bond_Stereo_Count	0
117476	Non-hydrogen_Atom_Count	7
5289394	Tautomer_Count	4
13463348	Undefined_Bond_Stereo_Count	0
85470810	Exact_Mass	528.10564683
135564890	Undefined_Atom_Stereo_Count	0
4617	Structure_Complexity	468
72696735	Molecular_Weight	309.3
136586	Undefined_Atom_Stereo_Count	0
5489948	Hydrogen_Bond_Acceptor_Count	13
257501	Isotope_Atom_Count	0
12202	Hydrogen_Bond_Donor_Count	1
69275	Undefined_Bond_Stereo_Count	0
27566	Defined_Atom_Stereo_Count	0
90258	Covalent_Unit_Count	1
10161315	Defined_Atom_Stereo_Count	0
71697	XLogP3-AA	4
21336418	Hydrogen_Bond_Donor_Count	0
11228763	Defined_Bond_Stereo_Count	0
2315	Defined_Bond_Stereo_Count	0
2734241	Isotope_Atom_Count	0
13551761	Total_Formal_Charge	0
18641	Tautomer_Count	6
452498	Exact_Mass	282.09641956
2723816	Defined_Atom_Stereo_Count	0
45116616	TPSA	46.2
2999	Hydrogen_Bond_Acceptor_Count	2
162883450	Total_Formal_Charge	0
1399	Undefined_Atom_Stereo_Count	1
58387740	Mono_Isotopic_Weight	114.104465066
42754	Total_Formal_Charge	0
11446306	Hydrogen_Bond_Acceptor_Count	2
24199313	Undefined_Bond_Stereo_Count	0
9874175	TPSA	123
21124737	Undefined_Atom_Stereo_Count	0
71684354	Exact_Mass	298.12050905
56928060	Molecular_Weight	880.9
821	Covalent_Unit_Count	1
158294441	Exact_Mass	116.047344113
12434155	Exact_Mass	112.052429494
11579721	Isotope_Atom_Count	0
16832	Defined_Bond_Stereo_Count	0
46206642	Covalent_Unit_Count	1
9964	Exact_Mass	161.04523368
963289	Undefined_Atom_Stereo_Count	0
36652	Hydrogen_Bond_Donor_Count	1
13736254	Non-hydrogen_Atom_Count	8
4100	Defined_Bond_Stereo_Count	0
137076	Non-hydrogen_Atom_Count	8
16211286	Isotope_Atom_Count	0
53373584	Total_Formal_Charge	0
5352133	Non-hydrogen_Atom_Count	13
644113	Exact_Mass	362.0224976
168	Undefined_Atom_Stereo_Count	10
79076	Hydrogen_Bond_Acceptor_Count	7
121250	Exact_Mass	122.04015073
140655119	Mono_Isotopic_Weight	116.083729621
198136	Undefined_Bond_Stereo_Count	0
24973796	Exact_Mass	99.079647300
14791281	Molecular_Weight	180.24
55480	Molecular_Weight	282.81
65188	XLogP3-AA	2.8
31251	Undefined_Bond_Stereo_Count	0
163429552	Rotatable_Bond_Count	1
2768953	Rotatable_Bond_Count	1
49864604	Undefined_Bond_Stereo_Count	0
953	Hydrogen_Bond_Acceptor_Count	7
121207552	Hydrogen_Bond_Acceptor_Count	1
25142700	Covalent_Unit_Count	1
13019066	Hydrogen_Bond_Acceptor_Count	3
53870064	Structure_Complexity	113
6324103	Rotatable_Bond_Count	3
32142	Tautomer_Count	1
31362	Isotope_Atom_Count	0
68023	XLogP3	1.6
65909	Molecular_Weight	428.5
9886917	Mono_Isotopic_Weight	394.15287181
638105	Molecular_Weight	80.08
44144474	Molecular_Weight	631.8
86254	Hydrogen_Bond_Acceptor_Count	1
505	Isotope_Atom_Count	0
129680429	Non-hydrogen_Atom_Count	21
3605	Molecular_Weight	865.7
16698	Structure_Complexity	305
138170	TPSA	0
6445786	Defined_Bond_Stereo_Count	1
31283	Non-hydrogen_Atom_Count	18
14597941	Hydrogen_Bond_Acceptor_Count	2
9285	Tautomer_Count	1
151205	Mono_Isotopic_Weight	191.09799996
21889252	Undefined_Atom_Stereo_Count	0
5284558	Exact_Mass	588.18429107
60196344	Structure_Complexity	773
9568628	Undefined_Atom_Stereo_Count	0
54684589	Covalent_Unit_Count	3
45073462	Non-hydrogen_Atom_Count	31
87291665	Isotope_Atom_Count	0
10267079	Undefined_Atom_Stereo_Count	0
20093425	Defined_Bond_Stereo_Count	0
9864348	Defined_Bond_Stereo_Count	0
4687	Defined_Atom_Stereo_Count	0
57484	Undefined_Atom_Stereo_Count	0
75810	TPSA	55.1
6437071	Defined_Bond_Stereo_Count	1
6602480	Non-hydrogen_Atom_Count	40
3734	Non-hydrogen_Atom_Count	31
11250647	Tautomer_Count	1
143686076	Defined_Bond_Stereo_Count	0
71460731	Undefined_Bond_Stereo_Count	0
20563296	Structure_Complexity	162
10675	Structure_Complexity	567
98043899	Exact_Mass	416.32904526
57079767	Total_Formal_Charge	0
104764	Isotope_Atom_Count	0
197060	Defined_Atom_Stereo_Count	4
52885	Defined_Bond_Stereo_Count	0
11286453	Structure_Complexity	104
54438	Tautomer_Count	2
24875236	Mono_Isotopic_Weight	363.14839556
40302	Molecular_Weight	176.24
3802528	Defined_Bond_Stereo_Count	0
9829419	Molecular_Weight	529.5
19070	Structure_Complexity	52.8
99058	Hydrogen_Bond_Donor_Count	6
9808948	Molecular_Weight	606.6
138950	Hydrogen_Bond_Donor_Count	0
139081837	Hydrogen_Bond_Acceptor_Count	4
12347118	Molecular_Weight	116.16
12406682	Hydrogen_Bond_Donor_Count	0
11569158	Exact_Mass	477.1567673
297812	Molecular_Weight	319.26
165579	Non-hydrogen_Atom_Count	47
2734176	Defined_Atom_Stereo_Count	0
21185116	Non-hydrogen_Atom_Count	7
398742	Undefined_Atom_Stereo_Count	0
49827815	Mono_Isotopic_Weight	505.31920885
3050410	TPSA	52.6
9939927	Undefined_Atom_Stereo_Count	0
25167777	Defined_Atom_Stereo_Count	0
3699	Total_Formal_Charge	0
227541	TPSA	51.8
72941511	Structure_Complexity	800
70690638	Exact_Mass	457.18623762
61199	Defined_Atom_Stereo_Count	0
13307026	Defined_Atom_Stereo_Count	0
5459124	Isotope_Atom_Count	0
54757630	Mono_Isotopic_Weight	514.24024751
7929	Mono_Isotopic_Weight	106.078250319
12089	TPSA	75.4
54515893	Hydrogen_Bond_Acceptor_Count	2
53785673	Undefined_Atom_Stereo_Count	0
15736732	Hydrogen_Bond_Acceptor_Count	4
4293604	TPSA	48.9
10414810	Mono_Isotopic_Weight	536.13412551
177739	Defined_Bond_Stereo_Count	0
39184	Undefined_Atom_Stereo_Count	0
23552407	Defined_Atom_Stereo_Count	0
749560	Non-hydrogen_Atom_Count	21
34072	Isotope_Atom_Count	0
31013	Exact_Mass	225.13649347
11182587	Isotope_Atom_Count	0
25244520	Molecular_Weight	167.03
19111	Tautomer_Count	2
16221342	Defined_Atom_Stereo_Count	0
23724965	Undefined_Atom_Stereo_Count	1
44512434	Covalent_Unit_Count	1
21680	Tautomer_Count	1
56845949	XLogP3	2.1
10256440	Exact_Mass	530.17770440
6918331	Tautomer_Count	1
71668	Hydrogen_Bond_Acceptor_Count	2
44577611	Hydrogen_Bond_Donor_Count	0
98026	Non-hydrogen_Atom_Count	13
3037171	Covalent_Unit_Count	1
54680660	Covalent_Unit_Count	1
98324	Undefined_Atom_Stereo_Count	1
38771	Defined_Atom_Stereo_Count	0
3685	XLogP3	1.9
70914	Defined_Atom_Stereo_Count	1
54556023	Covalent_Unit_Count	1
49865963	Isotope_Atom_Count	0
171970	Hydrogen_Bond_Donor_Count	1
156255626	TPSA	29.5
122452208	Defined_Atom_Stereo_Count	0
15208461	Non-hydrogen_Atom_Count	7
22486676	Non-hydrogen_Atom_Count	6
219081	Covalent_Unit_Count	1
31018	Non-hydrogen_Atom_Count	8
6918295	Total_Formal_Charge	0
9826451	Covalent_Unit_Count	1
146701269	Rotatable_Bond_Count	1
1018	Isotope_Atom_Count	0
11208	TPSA	12.5
129814671	Mono_Isotopic_Weight	137.03892530
5365327	Structure_Complexity	79.8
164533	Tautomer_Count	2
136270342	Undefined_Bond_Stereo_Count	1
11009218	Undefined_Atom_Stereo_Count	0
53643899	Defined_Bond_Stereo_Count	0
21117215	Covalent_Unit_Count	1
23665706	Molecular_Weight	201.22
16719	Undefined_Atom_Stereo_Count	0
7908	Molecular_Weight	101.19
46214236	Defined_Bond_Stereo_Count	0
73755062	Undefined_Atom_Stereo_Count	0
45714	TPSA	20.3
18542	Structure_Complexity	543
2693	Molecular_Weight	710.9
46783232	Exact_Mass	361.12738533
53316388	Undefined_Atom_Stereo_Count	0
358641	Defined_Bond_Stereo_Count	0
5358751	Defined_Bond_Stereo_Count	5
10509	Isotope_Atom_Count	0
46236925	Defined_Bond_Stereo_Count	0
48448	Undefined_Atom_Stereo_Count	1
71584661	Molecular_Weight	452.6
16129690	Rotatable_Bond_Count	40
64937	Defined_Atom_Stereo_Count	0
62705863	Defined_Bond_Stereo_Count	0
54492709	Isotope_Atom_Count	0
91667835	Rotatable_Bond_Count	4
56971	Rotatable_Bond_Count	6
9832404	Hydrogen_Bond_Donor_Count	10
21841	Isotope_Atom_Count	0
526950	Molecular_Weight	110.11
44251425	Defined_Bond_Stereo_Count	2
64371	Hydrogen_Bond_Acceptor_Count	1
12720	Undefined_Atom_Stereo_Count	0
9920369	Molecular_Weight	97.12
304035	TPSA	18.5
73075931	Hydrogen_Bond_Acceptor_Count	8
12319	Structure_Complexity	28.1
22704	Covalent_Unit_Count	1
44719490	Non-hydrogen_Atom_Count	17
12553930	Defined_Atom_Stereo_Count	0
89261068	Undefined_Atom_Stereo_Count	0
6838	Non-hydrogen_Atom_Count	15
34751	Total_Formal_Charge	0
44401302	Rotatable_Bond_Count	9
99646539	Mono_Isotopic_Weight	284.16237386
78166	Tautomer_Count	7
3037234	Defined_Atom_Stereo_Count	0
977656	Mono_Isotopic_Weight	340.10592162
107952	Rotatable_Bond_Count	11
101925253	Covalent_Unit_Count	1
14365987	Hydrogen_Bond_Donor_Count	0
12539494	Undefined_Atom_Stereo_Count	0
10895	Hydrogen_Bond_Donor_Count	0
158726884	Rotatable_Bond_Count	0
74777	Isotope_Atom_Count	0
12682	Isotope_Atom_Count	0
557796	Covalent_Unit_Count	1
252141	Non-hydrogen_Atom_Count	24
6436633	Tautomer_Count	1
44589090	Total_Formal_Charge	0
12488467	Isotope_Atom_Count	0
20713453	XLogP3-AA	0.1
11309	Non-hydrogen_Atom_Count	15
5154691	Undefined_Atom_Stereo_Count	0
18545678	Non-hydrogen_Atom_Count	7
15093812	Covalent_Unit_Count	1
5458993	Mono_Isotopic_Weight	332.12598835
65605	Exact_Mass	364.17869263
7238	Hydrogen_Bond_Acceptor_Count	0
70689318	Defined_Bond_Stereo_Count	0
137073	Covalent_Unit_Count	1
10347891	Total_Formal_Charge	0
58936	Total_Formal_Charge	0
71584544	Undefined_Atom_Stereo_Count	0
441975	Tautomer_Count	1
23121765	Exact_Mass	112.063662883
43102	Defined_Bond_Stereo_Count	0
65359	Rotatable_Bond_Count	21
11655939	Covalent_Unit_Count	1
49864533	Rotatable_Bond_Count	6
3435	Exact_Mass	225.03857033
84788	Total_Formal_Charge	0
6710631	Rotatable_Bond_Count	1
69341027	Hydrogen_Bond_Donor_Count	2
72568	Rotatable_Bond_Count	9
24823	Hydrogen_Bond_Donor_Count	0
154269	Molecular_Weight	164.11
442504	Tautomer_Count	5
17321	Total_Formal_Charge	0
6419108	TPSA	58.6
12564	Hydrogen_Bond_Acceptor_Count	0
16318	Exact_Mass	497.682627
547785	Hydrogen_Bond_Donor_Count	3
10796703	Structure_Complexity	76.2
6918474	Non-hydrogen_Atom_Count	14
101836	Total_Formal_Charge	0
25024769	Tautomer_Count	4
121731	Hydrogen_Bond_Acceptor_Count	0
440784	Non-hydrogen_Atom_Count	43
30971	Defined_Atom_Stereo_Count	9
20541332	Defined_Atom_Stereo_Count	0
82506	TPSA	58.2
542337	Non-hydrogen_Atom_Count	7
98181812	Undefined_Atom_Stereo_Count	0
138378	Defined_Bond_Stereo_Count	0
21988305	Defined_Atom_Stereo_Count	0
776222	Undefined_Atom_Stereo_Count	0
153534619	Defined_Atom_Stereo_Count	0
71587119	TPSA	424
2734180	Undefined_Atom_Stereo_Count	0
3595	Hydrogen_Bond_Acceptor_Count	6
68009582	Defined_Bond_Stereo_Count	0
133109198	Mono_Isotopic_Weight	748.50852574
37508	Defined_Atom_Stereo_Count	0
96604	Total_Formal_Charge	0
22647291	Molecular_Weight	112.17
129027658	Hydrogen_Bond_Acceptor_Count	1
439177	Defined_Bond_Stereo_Count	0
16699	Isotope_Atom_Count	0
449005	Exact_Mass	1465.09742756
53630039	Defined_Bond_Stereo_Count	0
7595	Hydrogen_Bond_Acceptor_Count	1
155713	XLogP3	0.8
6603693	Isotope_Atom_Count	0
54367722	Defined_Bond_Stereo_Count	0
651720	Defined_Atom_Stereo_Count	0
320761	Undefined_Bond_Stereo_Count	0
12873460	Total_Formal_Charge	0
60196364	Molecular_Weight	538.5
38875	Undefined_Atom_Stereo_Count	0
66903	Exact_Mass	366.349780706
117846020	Isotope_Atom_Count	0
136673	Tautomer_Count	1
390986	Defined_Atom_Stereo_Count	0
141344	Covalent_Unit_Count	1
23617705	Rotatable_Bond_Count	0
7174	Defined_Atom_Stereo_Count	0
31099	Structure_Complexity	254
6537499	Structure_Complexity	1300
10002122	Molecular_Weight	418.9
23121765	Hydrogen_Bond_Acceptor_Count	1
34481	Structure_Complexity	426
123744867	Non-hydrogen_Atom_Count	7
54594759	Molecular_Weight	99.13
58391580	Exact_Mass	315.19467705
84042	Isotope_Atom_Count	0
9538	Non-hydrogen_Atom_Count	12
170813	Rotatable_Bond_Count	6
102428	Molecular_Weight	327.8
136591997	Hydrogen_Bond_Donor_Count	0
159678	Hydrogen_Bond_Acceptor_Count	9
82162	Mono_Isotopic_Weight	142.074227566
59736263	Hydrogen_Bond_Acceptor_Count	2
88318	Exact_Mass	87.104799419
44571098	Hydrogen_Bond_Acceptor_Count	8
2826731	Defined_Atom_Stereo_Count	0
25162932	Mono_Isotopic_Weight	239.0951158
18669444	Covalent_Unit_Count	1
7166	Molecular_Weight	162.18
11297956	Hydrogen_Bond_Acceptor_Count	2
60749	Rotatable_Bond_Count	2
138122	Rotatable_Bond_Count	0
640180	Rotatable_Bond_Count	4
14268486	Total_Formal_Charge	0
17204	Isotope_Atom_Count	0
6321225	Non-hydrogen_Atom_Count	52
70671195	Hydrogen_Bond_Donor_Count	8
25006685	Non-hydrogen_Atom_Count	31
91475	Rotatable_Bond_Count	2
69578	Covalent_Unit_Count	1
53865481	Mono_Isotopic_Weight	100.100048391
22269904	Covalent_Unit_Count	1
6436449	Structure_Complexity	432
66684067	Structure_Complexity	653
21749233	Exact_Mass	120.078644241
53319453	Total_Formal_Charge	0
88035911	Structure_Complexity	459
524314	TPSA	0
19703123	Defined_Atom_Stereo_Count	0
105426925	Undefined_Bond_Stereo_Count	0
21784	Defined_Atom_Stereo_Count	0
9884642	Hydrogen_Bond_Donor_Count	0
5476374	Hydrogen_Bond_Donor_Count	0
46205408	Exact_Mass	599.29551328
11520	Total_Formal_Charge	0
12315192	Molecular_Weight	286.28
2414	Undefined_Atom_Stereo_Count	2
324	Isotope_Atom_Count	0
679386	Non-hydrogen_Atom_Count	19
70689385	Isotope_Atom_Count	0
409474	Non-hydrogen_Atom_Count	21
2054	Isotope_Atom_Count	0
18622	Undefined_Bond_Stereo_Count	0
57874	Hydrogen_Bond_Donor_Count	1
147614	Hydrogen_Bond_Acceptor_Count	3
2736527	Tautomer_Count	2
71152	Tautomer_Count	4
50878565	Rotatable_Bond_Count	15
6436605	Hydrogen_Bond_Donor_Count	1
9782	XLogP3	1.9
20087178	Undefined_Bond_Stereo_Count	0
23158703	Exact_Mass	387.15426879
805985	Non-hydrogen_Atom_Count	23
9460	Defined_Atom_Stereo_Count	0
2350	Total_Formal_Charge	0
13000487	Defined_Bond_Stereo_Count	0
3623	Exact_Mass	275.15214353
3246155	Structure_Complexity	433
54685047	Molecular_Weight	478.9
72281	TPSA	96.2
22468	TPSA	0
10899521	Mono_Isotopic_Weight	194.130679813
70693142	Defined_Atom_Stereo_Count	0
95172	Exact_Mass	275.96473
10718	Structure_Complexity	338
596935	Molecular_Weight	221.32
12146767	Isotope_Atom_Count	0
4498	Mono_Isotopic_Weight	129.078978594
73415830	Molecular_Weight	360.56
87609775	Undefined_Bond_Stereo_Count	0
9846078	Defined_Atom_Stereo_Count	1
154511	Hydrogen_Bond_Acceptor_Count	0
96873	Mono_Isotopic_Weight	197.08004122
21847	Undefined_Bond_Stereo_Count	0
55264361	Rotatable_Bond_Count	2
57656729	Exact_Mass	414.1225460
139064747	Structure_Complexity	456
78808	Structure_Complexity	69.2
442636	Undefined_Bond_Stereo_Count	0
23479	TPSA	12
7083	Total_Formal_Charge	0
443013	XLogP3	2
45039680	Hydrogen_Bond_Acceptor_Count	11
14503	Covalent_Unit_Count	1
47897	Undefined_Atom_Stereo_Count	0
6432517	Exact_Mass	304.240230259
59398673	Structure_Complexity	147
11236353	Total_Formal_Charge	0
528166	Undefined_Atom_Stereo_Count	0
13059495	Hydrogen_Bond_Donor_Count	2
389521	Molecular_Weight	235.67
139243813	Defined_Atom_Stereo_Count	0
968609	Rotatable_Bond_Count	4
12430063	Rotatable_Bond_Count	0
55472	Total_Formal_Charge	0
13185	Mono_Isotopic_Weight	258.18310931
11726816	Structure_Complexity	116
64154	Mono_Isotopic_Weight	170.0862282
54758216	Structure_Complexity	741
4387	Exact_Mass	216.15862589
6920223	Exact_Mass	122.024203370
68201	Structure_Complexity	60.5
29327	Isotope_Atom_Count	0
18406174	Defined_Bond_Stereo_Count	0
14026391	Non-hydrogen_Atom_Count	8
9271	Rotatable_Bond_Count	0
5288606	Molecular_Weight	259.09
155903721	Defined_Atom_Stereo_Count	14
119432	Defined_Bond_Stereo_Count	0
439888	Undefined_Bond_Stereo_Count	0
5382	Hydrogen_Bond_Acceptor_Count	4
9578243	Molecular_Weight	292.33
369219	Molecular_Weight	183.29
24973879	Exact_Mass	110.109550447
6999016	Tautomer_Count	1
71441408	Defined_Atom_Stereo_Count	0
33400	Total_Formal_Charge	0
23680396	TPSA	107
7078	Molecular_Weight	207.23
9808844	Total_Formal_Charge	0
4151	Mono_Isotopic_Weight	318.06742811
11254899	Undefined_Atom_Stereo_Count	0
54581777	Hydrogen_Bond_Donor_Count	1
16211849	Defined_Atom_Stereo_Count	0
57571416	Undefined_Bond_Stereo_Count	0
82938	Rotatable_Bond_Count	0
107758	Non-hydrogen_Atom_Count	28
9332	Hydrogen_Bond_Acceptor_Count	5
7616	Undefined_Bond_Stereo_Count	0
129010290	TPSA	195
8667	Non-hydrogen_Atom_Count	19
123995	Molecular_Weight	740.2
135398654	Molecular_Weight	241.25
31418	Rotatable_Bond_Count	1
181749	Structure_Complexity	52
12599600	Isotope_Atom_Count	0
15273920	Defined_Bond_Stereo_Count	0
68696	Defined_Atom_Stereo_Count	0
443158	Molecular_Weight	154.25
84398	Defined_Bond_Stereo_Count	0
44588235	Hydrogen_Bond_Donor_Count	8
9094	Rotatable_Bond_Count	0
123316507	XLogP3-AA	7.5
139158	Rotatable_Bond_Count	0
71259	Isotope_Atom_Count	0
7683	Mono_Isotopic_Weight	212.97893
56238	Defined_Atom_Stereo_Count	0
255680	Total_Formal_Charge	0
19838	Mono_Isotopic_Weight	130.099379685
9399	Covalent_Unit_Count	3
1493	Exact_Mass	184.01202123
11604	TPSA	23.8
140523	Non-hydrogen_Atom_Count	9
832	Covalent_Unit_Count	1
71361084	Defined_Bond_Stereo_Count	0
103376402	Total_Formal_Charge	0
22386086	Exact_Mass	115.063328530
2737793	Undefined_Bond_Stereo_Count	0
18100	Total_Formal_Charge	0
99069	Hydrogen_Bond_Acceptor_Count	2
338085	Defined_Atom_Stereo_Count	0
39268	Isotope_Atom_Count	0
56842208	Isotope_Atom_Count	0
14197	Hydrogen_Bond_Donor_Count	1
16661549	Total_Formal_Charge	0
17751002	Tautomer_Count	2
6633	TPSA	54.6
20764676	Isotope_Atom_Count	0
14206225	Mono_Isotopic_Weight	100.052429494
49862460	Isotope_Atom_Count	0
129728843	Undefined_Atom_Stereo_Count	0
441407	Isotope_Atom_Count	0
5495	Exact_Mass	320.11946368
1135	Defined_Atom_Stereo_Count	0
5388962	Mono_Isotopic_Weight	376.19982200
944	Undefined_Bond_Stereo_Count	0
161215	Rotatable_Bond_Count	2
7800	Non-hydrogen_Atom_Count	16
13208114	Undefined_Bond_Stereo_Count	0
71464628	Exact_Mass	434.20127855
11083045	Rotatable_Bond_Count	0
16132441	Rotatable_Bond_Count	234
12313981	Undefined_Atom_Stereo_Count	0
9886249	Undefined_Bond_Stereo_Count	0
550719	Hydrogen_Bond_Acceptor_Count	3
6918026	TPSA	401
34757	Hydrogen_Bond_Donor_Count	1
166918	Covalent_Unit_Count	10
70321834	Isotope_Atom_Count	0
10034991	Total_Formal_Charge	0
3869	TPSA	95.6
59557415	Undefined_Atom_Stereo_Count	0
139145	Undefined_Bond_Stereo_Count	0
20847	Non-hydrogen_Atom_Count	24
11629084	Structure_Complexity	1290
95883	TPSA	101
12289818	Defined_Bond_Stereo_Count	0
196445	Undefined_Atom_Stereo_Count	0
543038	TPSA	26.3
448803	Hydrogen_Bond_Donor_Count	6
54688693	Non-hydrogen_Atom_Count	31
44520	Covalent_Unit_Count	1
4638	Undefined_Bond_Stereo_Count	1
83322	Molecular_Weight	392.2
57097	Exact_Mass	940.42049858
12100	Hydrogen_Bond_Acceptor_Count	0
113415	Defined_Bond_Stereo_Count	0
57820	Tautomer_Count	3
2378	Isotope_Atom_Count	0
58375	TPSA	53.7
6436082	Total_Formal_Charge	0
20525	TPSA	44.8
1574	XLogP3-AA	1.4
10725321	Isotope_Atom_Count	0
63597	Total_Formal_Charge	0
5489410	Total_Formal_Charge	0
439051	Total_Formal_Charge	0
147707445	Non-hydrogen_Atom_Count	23
129688311	Exact_Mass	1030.35880530
3246155	Isotope_Atom_Count	0
123761716	Hydrogen_Bond_Donor_Count	1
73742	XLogP3	1.9
182484	Tautomer_Count	1
18398	Exact_Mass	114.068079557
23525993	Hydrogen_Bond_Donor_Count	1
9548637	Molecular_Weight	406.5
29455	Covalent_Unit_Count	2
25132953	XLogP3-AA	2.3
12754519	Structure_Complexity	77.7
7342	XLogP3-AA	1.5
323	Non-hydrogen_Atom_Count	11
122214398	Covalent_Unit_Count	1
18787571	TPSA	25.8
10887844	Defined_Bond_Stereo_Count	0
68681268	Isotope_Atom_Count	0
1211493	Molecular_Weight	282.12
5288674	Undefined_Bond_Stereo_Count	0
70689338	Molecular_Weight	914.1
14456889	Hydrogen_Bond_Donor_Count	2
47491	Undefined_Bond_Stereo_Count	0
20387216	Non-hydrogen_Atom_Count	8
2367	Hydrogen_Bond_Acceptor_Count	9
64628	Tautomer_Count	3
25069561	Defined_Bond_Stereo_Count	0
69488	Structure_Complexity	25.5
12462026	Covalent_Unit_Count	1
67075765	Undefined_Bond_Stereo_Count	0
6432729	Undefined_Bond_Stereo_Count	0
6233	Mono_Isotopic_Weight	309.844416
6440511	Rotatable_Bond_Count	5
60787	Mono_Isotopic_Weight	670.38426872
82464	Defined_Atom_Stereo_Count	0
9848869	Hydrogen_Bond_Acceptor_Count	9
61785	Structure_Complexity	1140
124449	Structure_Complexity	505
20283	Total_Formal_Charge	0
62485	TPSA	50.9
146256	Rotatable_Bond_Count	6
121207282	Defined_Bond_Stereo_Count	0
4678093	Structure_Complexity	105
3305	Hydrogen_Bond_Donor_Count	5
1009	Defined_Bond_Stereo_Count	0
3034814	Rotatable_Bond_Count	5
122	TPSA	109
24180680	Isotope_Atom_Count	0
5312137	Hydrogen_Bond_Donor_Count	2
72187569	Non-hydrogen_Atom_Count	23
2775	Defined_Bond_Stereo_Count	0
91881846	Undefined_Bond_Stereo_Count	0
6168933	Hydrogen_Bond_Acceptor_Count	8
9855081	Total_Formal_Charge	0
17090	Non-hydrogen_Atom_Count	10
68975085	Hydrogen_Bond_Donor_Count	2
15535273	XLogP3-AA	0.5
86876	Non-hydrogen_Atom_Count	12
768	Exact_Mass	27.010899036
129652160	Undefined_Atom_Stereo_Count	0
91298647	Total_Formal_Charge	0
8926	Tautomer_Count	1
18979	Structure_Complexity	604
266934	Isotope_Atom_Count	0
31236	Isotope_Atom_Count	0
31186	Molecular_Weight	292.24
129830140	Rotatable_Bond_Count	3
10246085	Total_Formal_Charge	0
135407408	Defined_Bond_Stereo_Count	0
20067437	Covalent_Unit_Count	1
123673485	Molecular_Weight	109.17
7449	TPSA	62.9
59277772	Undefined_Bond_Stereo_Count	0
448388	Undefined_Bond_Stereo_Count	0
12372	Molecular_Weight	111.18
6999115	Isotope_Atom_Count	0
3303	Exact_Mass	313.16779360
41508	Structure_Complexity	126
7922	Total_Formal_Charge	0
129673373	Covalent_Unit_Count	1
4104621	Hydrogen_Bond_Acceptor_Count	4
12909725	Undefined_Atom_Stereo_Count	0
6672	Mono_Isotopic_Weight	151.063328530
144608711	Hydrogen_Bond_Donor_Count	1
159609	Hydrogen_Bond_Acceptor_Count	1
11502243	TPSA	93.1
66588766	Tautomer_Count	1001
132192027	Covalent_Unit_Count	1
638066	Undefined_Atom_Stereo_Count	0
44629601	Isotope_Atom_Count	0
67680048	Undefined_Bond_Stereo_Count	0
169109	Molecular_Weight	215.25
18372143	Undefined_Bond_Stereo_Count	0
143745299	Non-hydrogen_Atom_Count	7
5175	TPSA	54.6
13939519	Structure_Complexity	90.5
12478719	TPSA	44
25271810	Molecular_Weight	248.34
5894	Total_Formal_Charge	0
304590	Undefined_Atom_Stereo_Count	0
159296	Isotope_Atom_Count	0
9801465	Hydrogen_Bond_Donor_Count	2
19891145	Hydrogen_Bond_Acceptor_Count	3
199229	Hydrogen_Bond_Donor_Count	0
62907	Hydrogen_Bond_Donor_Count	1
667486	Isotope_Atom_Count	0
42509	Mono_Isotopic_Weight	329.1658755
178080	Defined_Bond_Stereo_Count	0
12185	Non-hydrogen_Atom_Count	7
3079842	Non-hydrogen_Atom_Count	19
65513	Hydrogen_Bond_Acceptor_Count	10
54175	Isotope_Atom_Count	0
88558	Isotope_Atom_Count	0
12519787	Rotatable_Bond_Count	2
16063245	Undefined_Bond_Stereo_Count	0
74377607	Non-hydrogen_Atom_Count	7
53394791	Rotatable_Bond_Count	14
3902	Total_Formal_Charge	0
15587	Structure_Complexity	415
78420	XLogP3	2.4
89240655	Covalent_Unit_Count	1
16217112	Hydrogen_Bond_Donor_Count	5
19596	Rotatable_Bond_Count	4
146480	Isotope_Atom_Count	0
56759	Isotope_Atom_Count	0
57399426	Rotatable_Bond_Count	7
59172784	Non-hydrogen_Atom_Count	7
36679	Hydrogen_Bond_Acceptor_Count	1
24900937	Defined_Bond_Stereo_Count	0
573744	Structure_Complexity	310
7067772	Rotatable_Bond_Count	2
98265	Structure_Complexity	71.1
15608605	TPSA	75.6
2779938	Hydrogen_Bond_Acceptor_Count	1
13568632	Total_Formal_Charge	0
78377	Total_Formal_Charge	0
25102938	Mono_Isotopic_Weight	361.11210749
53943526	Mono_Isotopic_Weight	99.032028402
99868	Defined_Atom_Stereo_Count	0
954673	Total_Formal_Charge	0
126969105	Undefined_Atom_Stereo_Count	0
54567	Exact_Mass	305.189197746
147824162	Structure_Complexity	63.1
5330	Isotope_Atom_Count	0
20590622	Undefined_Bond_Stereo_Count	0
5353593	Undefined_Atom_Stereo_Count	0
53384597	Total_Formal_Charge	0
9811834	Rotatable_Bond_Count	12
71311204	Undefined_Bond_Stereo_Count	0
159661	Covalent_Unit_Count	2
736366	Defined_Bond_Stereo_Count	0
14012376	Mono_Isotopic_Weight	306.14806121
71718495	Hydrogen_Bond_Donor_Count	2
60710317	Defined_Atom_Stereo_Count	0
71584930	Defined_Bond_Stereo_Count	0
71184	Total_Formal_Charge	0
86013	Mono_Isotopic_Weight	219.162314293
17937355	Undefined_Bond_Stereo_Count	0
124224931	Structure_Complexity	1370
121938	XLogP3-AA	2.9
53908	Exact_Mass	308.0903253
70789955	Molecular_Weight	406.9
9650	Mono_Isotopic_Weight	260.11609238
12341793	Defined_Atom_Stereo_Count	2
5282175	Non-hydrogen_Atom_Count	30
3542	Isotope_Atom_Count	0
6419930	XLogP3	0.6
76720	XLogP3-AA	0.7
23656215	Rotatable_Bond_Count	5
69189	TPSA	63.3
285258	Mono_Isotopic_Weight	331.97479102
16141	Undefined_Atom_Stereo_Count	5
61938	Hydrogen_Bond_Donor_Count	1
17690	TPSA	0
56518	Exact_Mass	277.1233420
10171348	Rotatable_Bond_Count	2
6438150	Mono_Isotopic_Weight	418.19915329
66156	Tautomer_Count	1
75005	Non-hydrogen_Atom_Count	10
5236	Rotatable_Bond_Count	0
25014762	Structure_Complexity	553
9789	Undefined_Bond_Stereo_Count	0
60196335	Covalent_Unit_Count	2
6427102	Undefined_Bond_Stereo_Count	0
121233058	Defined_Bond_Stereo_Count	0
71117	Non-hydrogen_Atom_Count	25
12228440	Undefined_Bond_Stereo_Count	0
20309174	TPSA	17.8
3033964	Defined_Bond_Stereo_Count	0
1088430	Non-hydrogen_Atom_Count	18
57303454	Molecular_Weight	94.11
12225304	Undefined_Bond_Stereo_Count	0
23276	Non-hydrogen_Atom_Count	16
5738	Exact_Mass	541.23991316
104977	Mono_Isotopic_Weight	232.088815002
2405	Non-hydrogen_Atom_Count	23
5281233	Mono_Isotopic_Weight	976.37875290
72373	TPSA	86.9
93234	Hydrogen_Bond_Acceptor_Count	4
5377791	Hydrogen_Bond_Acceptor_Count	4
28315	Isotope_Atom_Count	0
70693582	Isotope_Atom_Count	0
176407	Undefined_Atom_Stereo_Count	0
156618045	Hydrogen_Bond_Acceptor_Count	11
15702065	XLogP3-AA	0
762556	Structure_Complexity	268
534324	Defined_Atom_Stereo_Count	0
4369579	Structure_Complexity	279
346	Molecular_Weight	272.25
44134800	Non-hydrogen_Atom_Count	19
22602670	Defined_Atom_Stereo_Count	0
25217475	Defined_Atom_Stereo_Count	3
765378	Mono_Isotopic_Weight	200.10956770
6610	Defined_Bond_Stereo_Count	0
62871	Exact_Mass	515.2373263
1515	Molecular_Weight	224.26
57713	Rotatable_Bond_Count	13
10237369	Undefined_Bond_Stereo_Count	0
125440	Non-hydrogen_Atom_Count	17
16957	Molecular_Weight	406.5
10881	Mono_Isotopic_Weight	106.041864811
639970	Rotatable_Bond_Count	3
18997160	Exact_Mass	115.063328530
5946	Rotatable_Bond_Count	4
637084	Total_Formal_Charge	0
123554527	TPSA	25.8
11419598	Non-hydrogen_Atom_Count	31
15981323	Structure_Complexity	557
65840	Total_Formal_Charge	0
101074209	Undefined_Atom_Stereo_Count	2
22605229	Exact_Mass	102.031694049
16760189	Rotatable_Bond_Count	6
107983	Mono_Isotopic_Weight	144.04225873
15720326	Rotatable_Bond_Count	3
69325	Non-hydrogen_Atom_Count	10
35641	XLogP3-AA	2.5
270624	Exact_Mass	100.052429494
160743752	Rotatable_Bond_Count	1
50990560	Exact_Mass	842.51400504
10200813	Covalent_Unit_Count	1
168131	Exact_Mass	251.154823615
12377442	XLogP3-AA	0.6
31224	Hydrogen_Bond_Donor_Count	0
76539	Molecular_Weight	403.6
99864303	Undefined_Atom_Stereo_Count	0
31284	Defined_Atom_Stereo_Count	0
12671783	XLogP3-AA	0.9
41779	Isotope_Atom_Count	0
8612	Non-hydrogen_Atom_Count	18
3141	Undefined_Bond_Stereo_Count	0
44349928	Rotatable_Bond_Count	4
5318042	Covalent_Unit_Count	1
443445	TPSA	283
59648985	Total_Formal_Charge	0
9826034	Exact_Mass	471.22703980
14819036	Molecular_Weight	78.07
8073	TPSA	26.3
91696191	Non-hydrogen_Atom_Count	14
6059187	Hydrogen_Bond_Acceptor_Count	3
968609	Exact_Mass	336.06023472
33112	Undefined_Atom_Stereo_Count	0
17292	TPSA	75.3
6440191	Undefined_Bond_Stereo_Count	0
163255537	Molecular_Weight	104.11
78819	Defined_Bond_Stereo_Count	0
13017912	Structure_Complexity	1150
7363	Total_Formal_Charge	0
64746	Mono_Isotopic_Weight	522.1355294
540648	Undefined_Bond_Stereo_Count	0
81466	Structure_Complexity	129
129761	Defined_Atom_Stereo_Count	0
6918554	XLogP3-AA	3.3
493662	Covalent_Unit_Count	1
13408391	Structure_Complexity	314
6950578	Molecular_Weight	181.19
129788170	Undefined_Bond_Stereo_Count	0
65575055	Non-hydrogen_Atom_Count	8
12639	XLogP3-AA	0.3
9800555	Hydrogen_Bond_Donor_Count	3
64402	Hydrogen_Bond_Acceptor_Count	1
11372270	Undefined_Atom_Stereo_Count	0
118371793	Undefined_Atom_Stereo_Count	0
24759	Hydrogen_Bond_Donor_Count	14
15548	Rotatable_Bond_Count	6
95162563	Non-hydrogen_Atom_Count	23
20316	Rotatable_Bond_Count	3
12488	Undefined_Bond_Stereo_Count	0
581206	Undefined_Atom_Stereo_Count	0
146159501	Undefined_Bond_Stereo_Count	1
18386	Tautomer_Count	13
13268340	Rotatable_Bond_Count	3
619250	Rotatable_Bond_Count	2
25222253	Undefined_Bond_Stereo_Count	0
191120	Molecular_Weight	176.17
89518751	Mono_Isotopic_Weight	342.11621151
8002585	TPSA	58.6
53346491	Rotatable_Bond_Count	5
129027658	XLogP3-AA	1.4
22967002	Total_Formal_Charge	0
22753620	Undefined_Atom_Stereo_Count	0
8150	Structure_Complexity	41.6
7111	TPSA	52
54326118	Molecular_Weight	110.11
13690	TPSA	29.1
442076	Defined_Bond_Stereo_Count	0
73695606	Rotatable_Bond_Count	1
23663973	Structure_Complexity	452
21863620	Undefined_Bond_Stereo_Count	0
46231497	Defined_Atom_Stereo_Count	0
16688300	TPSA	18.5
68236	Isotope_Atom_Count	0
17991084	TPSA	64.9
68740500	Isotope_Atom_Count	0
137331882	Hydrogen_Bond_Donor_Count	1
18531013	Undefined_Bond_Stereo_Count	0
23665591	Mono_Isotopic_Weight	237.00395384
19420003	Covalent_Unit_Count	1
5361848	XLogP3	0
56665390	Molecular_Weight	418.5
155774	TPSA	103
3794540	Mono_Isotopic_Weight	207.98062409
11337	Undefined_Atom_Stereo_Count	4
58691	Defined_Bond_Stereo_Count	0
7573	Exact_Mass	226.146998583
135300	Hydrogen_Bond_Donor_Count	0
4477	Molecular_Weight	327.12
347477	XLogP3-AA	0.9
114681	Total_Formal_Charge	0
11300765	TPSA	40.5
9824131	Undefined_Bond_Stereo_Count	0
142566105	Covalent_Unit_Count	1
3322	Hydrogen_Bond_Donor_Count	1
6182	Defined_Atom_Stereo_Count	0
9844747	Structure_Complexity	553
146131	Hydrogen_Bond_Donor_Count	1
37524	Tautomer_Count	1
88212048	Covalent_Unit_Count	1
439353	Molecular_Weight	180.16
7359	Total_Formal_Charge	0
14325613	Defined_Atom_Stereo_Count	0
115087054	Molecular_Weight	113.11
165611944	Structure_Complexity	111
4768	Undefined_Atom_Stereo_Count	1
71380	Rotatable_Bond_Count	0
6450522	Undefined_Atom_Stereo_Count	1
5493321	Molecular_Weight	408.4
54255838	Molecular_Weight	116.11
44444639	Defined_Atom_Stereo_Count	0
19073932	Molecular_Weight	114.14
69396	Total_Formal_Charge	0
18766934	XLogP3-AA	1.3
10219414	Defined_Atom_Stereo_Count	0
40466996	Hydrogen_Bond_Donor_Count	1
33713	TPSA	61.8
13019092	Mono_Isotopic_Weight	86.048012819
76225599	Non-hydrogen_Atom_Count	7
11519741	Exact_Mass	563.07996
445319	Isotope_Atom_Count	0
11502243	Mono_Isotopic_Weight	401.0877226
65622	TPSA	130
77778	Non-hydrogen_Atom_Count	7
4228010	Isotope_Atom_Count	0
516902	TPSA	57.2
58095461	Exact_Mass	99.104799419
6918203	Rotatable_Bond_Count	3
68662	Isotope_Atom_Count	0
6092	Hydrogen_Bond_Donor_Count	2
135080	Mono_Isotopic_Weight	253.011769
69021	Total_Formal_Charge	0
57265913	TPSA	17.1
848	Total_Formal_Charge	0
13257	Hydrogen_Bond_Donor_Count	0
9447938	Molecular_Weight	283.28
14308604	Total_Formal_Charge	0
3266	Total_Formal_Charge	0
91558991	Isotope_Atom_Count	0
7842	Hydrogen_Bond_Acceptor_Count	0
565903	XLogP3-AA	0
71476	Undefined_Bond_Stereo_Count	0
8483	Defined_Atom_Stereo_Count	0
9879368	Isotope_Atom_Count	0
18779032	Mono_Isotopic_Weight	497.14544151
5363095	TPSA	26.3
24905142	Tautomer_Count	24
11210173	Isotope_Atom_Count	0
2724163	Undefined_Bond_Stereo_Count	0
166556	Isotope_Atom_Count	0
9301	Mono_Isotopic_Weight	235.02079
4227123	XLogP3-AA	1.3
76997	TPSA	18.5
54755438	XLogP3-AA	3
22737404	Defined_Atom_Stereo_Count	0
590836	Hydrogen_Bond_Donor_Count	0
70144	Molecular_Weight	164.16
15820984	Covalent_Unit_Count	3
13728409	Total_Formal_Charge	0
5889665	Total_Formal_Charge	0
5288615	XLogP3-AA	1.6
2132	Undefined_Bond_Stereo_Count	0
19930616	Mono_Isotopic_Weight	99.068413911
25133630	Defined_Atom_Stereo_Count	0
7515	Rotatable_Bond_Count	1
73736	Hydrogen_Bond_Donor_Count	0
57328385	Defined_Atom_Stereo_Count	0
28950993	Non-hydrogen_Atom_Count	7
51397515	Defined_Atom_Stereo_Count	2
136237316	Mono_Isotopic_Weight	494.25292020
104904	Total_Formal_Charge	0
53401340	Hydrogen_Bond_Acceptor_Count	3
12813	TPSA	26.3
2159	Defined_Atom_Stereo_Count	0
85812	Hydrogen_Bond_Donor_Count	0
11313946	Exact_Mass	344.13069707
69861	Molecular_Weight	149.23
12248518	Isotope_Atom_Count	0
175191	Rotatable_Bond_Count	17
70662473	Hydrogen_Bond_Donor_Count	1
77529	Isotope_Atom_Count	0
18358	Defined_Bond_Stereo_Count	0
443403	Non-hydrogen_Atom_Count	20
11480819	TPSA	110
139692455	Mono_Isotopic_Weight	73.052763847
96221	Hydrogen_Bond_Donor_Count	3
122172945	Isotope_Atom_Count	0
441724	Hydrogen_Bond_Donor_Count	1
10219385	Hydrogen_Bond_Donor_Count	0
146808246	Non-hydrogen_Atom_Count	7
551240	Covalent_Unit_Count	1
71887	Undefined_Atom_Stereo_Count	0
15940185	TPSA	199
7826	Mono_Isotopic_Weight	144.115029749
9008	Rotatable_Bond_Count	8
13220194	TPSA	83.8
58654632	Structure_Complexity	32.9
56593143	Rotatable_Bond_Count	7
71586635	Covalent_Unit_Count	1
5497174	Isotope_Atom_Count	0
3108	Structure_Complexity	561
4914451	Covalent_Unit_Count	1
153874923	Structure_Complexity	90.5
93738	Hydrogen_Bond_Donor_Count	0
69814	Isotope_Atom_Count	0
5284572	Hydrogen_Bond_Acceptor_Count	7
25008765	XLogP3-AA	0.2
2826036	Exact_Mass	236.02556330
12531954	Mono_Isotopic_Weight	112.063662883
6067	Tautomer_Count	1
522	Covalent_Unit_Count	1
135425186	Structure_Complexity	493
59594973	XLogP3-AA	0.2
105426930	Undefined_Atom_Stereo_Count	3
5311032	Exact_Mass	641.37884898
423792	Molecular_Weight	447.6
55007	Hydrogen_Bond_Donor_Count	0
11229	Covalent_Unit_Count	1
90825254	Defined_Atom_Stereo_Count	0
21453	Total_Formal_Charge	0
7992	Hydrogen_Bond_Acceptor_Count	1
453	Covalent_Unit_Count	1
71436959	Mono_Isotopic_Weight	388.15220310
49865859	Total_Formal_Charge	0
17074527	Defined_Atom_Stereo_Count	0
9841259	Molecular_Weight	348.5
139044268	Molecular_Weight	324.4
36382	Undefined_Atom_Stereo_Count	0
68410	TPSA	40.5
10964444	Isotope_Atom_Count	0
36131	Hydrogen_Bond_Acceptor_Count	2
79840	XLogP3-AA	0.5
90779122	Non-hydrogen_Atom_Count	7
160743751	Undefined_Atom_Stereo_Count	0
23151396	Hydrogen_Bond_Donor_Count	2
5329102	Non-hydrogen_Atom_Count	29
3988	Tautomer_Count	2
6956367	Rotatable_Bond_Count	2
57411983	Undefined_Atom_Stereo_Count	0
23378923	Hydrogen_Bond_Donor_Count	1
11815	Defined_Bond_Stereo_Count	0
6537213	Hydrogen_Bond_Donor_Count	2
122152	Exact_Mass	581.07329
24858870	XLogP3-AA	3.7
164584	Undefined_Bond_Stereo_Count	0
54740846	Structure_Complexity	971
21930812	Non-hydrogen_Atom_Count	9
21989049	Mono_Isotopic_Weight	98.048012819
92979	Defined_Bond_Stereo_Count	0
763936	Structure_Complexity	208
9847836	Mono_Isotopic_Weight	476.24866389
2757748	Structure_Complexity	104
9679	Total_Formal_Charge	0
10491069	Defined_Bond_Stereo_Count	0
60196265	Undefined_Bond_Stereo_Count	0
403832	XLogP3-AA	7
75160	Undefined_Bond_Stereo_Count	0
714222	Structure_Complexity	517
16049377	TPSA	128
58242	Molecular_Weight	250.29
6081	Hydrogen_Bond_Donor_Count	3
6437352	Molecular_Weight	320.4
8015	Defined_Bond_Stereo_Count	0
5369209	Hydrogen_Bond_Acceptor_Count	4
405298	Defined_Bond_Stereo_Count	0
117791208	Defined_Bond_Stereo_Count	0
279062	Molecular_Weight	285.25
23635364	XLogP3-AA	7
54676840	Defined_Atom_Stereo_Count	0
138527	Rotatable_Bond_Count	11
134032	Hydrogen_Bond_Donor_Count	0
6116	Exact_Mass	157.9891995
544701	Molecular_Weight	100.16
25184868	Exact_Mass	154.135765193
12724398	Molecular_Weight	112.17
7320	Total_Formal_Charge	0
445382	Undefined_Atom_Stereo_Count	0
237546	XLogP3-AA	0.1
2734171	Undefined_Bond_Stereo_Count	0
83131	Total_Formal_Charge	0
22138511	Covalent_Unit_Count	1
6472	Non-hydrogen_Atom_Count	21
8852	Covalent_Unit_Count	1
95270	Total_Formal_Charge	0
15559317	Exact_Mass	842.51400504
123749022	Mono_Isotopic_Weight	86.084398327
22889103	Isotope_Atom_Count	0
90427261	TPSA	20.2
5334	Rotatable_Bond_Count	4
91525	Structure_Complexity	1140
16722836	TPSA	117
130659	Exact_Mass	502.97075483
2248	Undefined_Atom_Stereo_Count	10
22385	Hydrogen_Bond_Acceptor_Count	0
881	Covalent_Unit_Count	1
19883347	Defined_Bond_Stereo_Count	0
93439	Undefined_Bond_Stereo_Count	0
439250	Non-hydrogen_Atom_Count	10
51622	Isotope_Atom_Count	0
2529	Undefined_Atom_Stereo_Count	2
60814	Total_Formal_Charge	0
20974	Non-hydrogen_Atom_Count	14
83898	Structure_Complexity	215
24203	Tautomer_Count	1
83008	Defined_Bond_Stereo_Count	0
66708	XLogP3-AA	2
16134409	Structure_Complexity	4220
9903291	Structure_Complexity	239
164069878	Hydrogen_Bond_Donor_Count	3
76771	Covalent_Unit_Count	3
12753	Defined_Bond_Stereo_Count	0
2209	Molecular_Weight	162.3
124081896	Undefined_Atom_Stereo_Count	0
31005	Structure_Complexity	439
5283739	Undefined_Bond_Stereo_Count	0
442072	Non-hydrogen_Atom_Count	20
163050682	Hydrogen_Bond_Donor_Count	1
11284169	Defined_Atom_Stereo_Count	7
5489477	Hydrogen_Bond_Donor_Count	2
3036824	Isotope_Atom_Count	0
70215286	Undefined_Atom_Stereo_Count	2
4741	TPSA	696
17533	Molecular_Weight	267.1
54477013	Mono_Isotopic_Weight	704.53560641
32414	Total_Formal_Charge	0
71317096	Molecular_Weight	182.17
823816	Exact_Mass	347.10923335
55423	Defined_Atom_Stereo_Count	0
121850	Defined_Bond_Stereo_Count	0
133688938	Rotatable_Bond_Count	7
373077	Rotatable_Bond_Count	0
529267	Undefined_Bond_Stereo_Count	0
15731	Mono_Isotopic_Weight	186.068079557
17613	Exact_Mass	150.0811428
161930	Molecular_Weight	311.29
1649	Non-hydrogen_Atom_Count	13
12751986	Exact_Mass	108.068748264
96237	Molecular_Weight	286.3
15024254	Undefined_Atom_Stereo_Count	0
2763078	Undefined_Bond_Stereo_Count	0
103875	Defined_Atom_Stereo_Count	0
1034	Isotope_Atom_Count	0
56760835	Rotatable_Bond_Count	1
9930	Covalent_Unit_Count	2
12775	Defined_Atom_Stereo_Count	0
1499	Defined_Atom_Stereo_Count	0
118177912	Structure_Complexity	98.2
10214378	Covalent_Unit_Count	1
3086400	Non-hydrogen_Atom_Count	28
4448	Covalent_Unit_Count	1
11930	XLogP3-AA	6.8
54964	Structure_Complexity	408
594510	Exact_Mass	349.0861010
162990683	Total_Formal_Charge	0
44570343	Total_Formal_Charge	0
13867124	Rotatable_Bond_Count	6
146681133	Defined_Atom_Stereo_Count	0
445344	Hydrogen_Bond_Acceptor_Count	22
52947518	Structure_Complexity	429
20814133	Rotatable_Bond_Count	0
7452	XLogP3	1.5
11305985	Defined_Atom_Stereo_Count	2
25053	XLogP3-AA	2.9
21525	Isotope_Atom_Count	0
159603	TPSA	86.2
4662	Structure_Complexity	1490
25077993	Total_Formal_Charge	0
11534837	Defined_Atom_Stereo_Count	2
13218779	Exact_Mass	253.11365002
44352805	Hydrogen_Bond_Acceptor_Count	7
72207931	Defined_Bond_Stereo_Count	0
3082052	Defined_Atom_Stereo_Count	3
43725	Undefined_Atom_Stereo_Count	0
12486323	Isotope_Atom_Count	0
68666	Non-hydrogen_Atom_Count	31
14917	Undefined_Bond_Stereo_Count	0
133633	Structure_Complexity	416
6992032	Tautomer_Count	3
11100	Defined_Bond_Stereo_Count	0
27822	Mono_Isotopic_Weight	158.141913202
6267	Defined_Bond_Stereo_Count	0
21630	Covalent_Unit_Count	1
79718	Isotope_Atom_Count	0
132031748	Isotope_Atom_Count	0
12244237	Exact_Mass	77.97755048
5395	Mono_Isotopic_Weight	173.141578849
132998	Non-hydrogen_Atom_Count	30
12656856	Molecular_Weight	114.19
139150	XLogP3-AA	1.6
17842471	Covalent_Unit_Count	1
76156	TPSA	9.2
27195	Molecular_Weight	323.13
136511	Molecular_Weight	108.14
14078847	Undefined_Bond_Stereo_Count	0
83812	Structure_Complexity	128
3073200	Exact_Mass	246.05282342
44230575	XLogP3-AA	1.8
682529	Exact_Mass	273.08234989
53856717	Defined_Bond_Stereo_Count	0
54964	Hydrogen_Bond_Acceptor_Count	5
18730068	Undefined_Bond_Stereo_Count	0
78249	Defined_Atom_Stereo_Count	2
12250845	Exact_Mass	83.073499291
13400657	Undefined_Atom_Stereo_Count	1
53145	Defined_Bond_Stereo_Count	0
163050680	Defined_Bond_Stereo_Count	0
1731	TPSA	40.5
11423559	Structure_Complexity	131
135565589	Hydrogen_Bond_Acceptor_Count	13
2915	Non-hydrogen_Atom_Count	8
17857	Isotope_Atom_Count	0
80265	TPSA	18.5
9627	Hydrogen_Bond_Donor_Count	0
5359596	Total_Formal_Charge	0
4953	Covalent_Unit_Count	1
54677946	Defined_Atom_Stereo_Count	0
72266	Exact_Mass	295.12805404
146157727	Hydrogen_Bond_Donor_Count	0
724228	Total_Formal_Charge	0
3308	Undefined_Bond_Stereo_Count	0
54511	Mono_Isotopic_Weight	356.1866705
49858374	Covalent_Unit_Count	1
5282761	Isotope_Atom_Count	0
58647035	Rotatable_Bond_Count	1
14546681	Undefined_Atom_Stereo_Count	0
7829	Structure_Complexity	179
1727	Undefined_Bond_Stereo_Count	0
10466948	TPSA	81.6
6113	Isotope_Atom_Count	0
129861997	Rotatable_Bond_Count	0
548998	Undefined_Bond_Stereo_Count	0
114359	Rotatable_Bond_Count	7
22725651	Isotope_Atom_Count	0
9973981	Molecular_Weight	331.8
46919129	Structure_Complexity	748
16131191	Hydrogen_Bond_Acceptor_Count	58
4290	Exact_Mass	308.06309162
81890	Undefined_Atom_Stereo_Count	0
10474	Hydrogen_Bond_Donor_Count	0
6261	Rotatable_Bond_Count	1
19094	Structure_Complexity	179
57394609	XLogP3-AA	4.6
89976681	Mono_Isotopic_Weight	107.037113783
519946	Isotope_Atom_Count	0
13404	Non-hydrogen_Atom_Count	10
143378061	Undefined_Bond_Stereo_Count	0
79083	Tautomer_Count	1
28689	Hydrogen_Bond_Donor_Count	3
11507	XLogP3-AA	3.7
30387	Isotope_Atom_Count	0
3033031	Hydrogen_Bond_Acceptor_Count	11
14200416	Defined_Atom_Stereo_Count	0
21263577	Covalent_Unit_Count	1
32131	TPSA	124
31355	Molecular_Weight	266.31
119098876	XLogP3-AA	17.5
88534961	Total_Formal_Charge	0
122433	Undefined_Bond_Stereo_Count	0
715447	Non-hydrogen_Atom_Count	21
165363357	Molecular_Weight	1047.2
664136	Hydrogen_Bond_Acceptor_Count	5
10291931	Defined_Bond_Stereo_Count	0
86129055	Defined_Bond_Stereo_Count	0
108078	Rotatable_Bond_Count	2
13939	Structure_Complexity	87
154809859	Hydrogen_Bond_Acceptor_Count	14
142962972	Mono_Isotopic_Weight	110.073164938
24012	Isotope_Atom_Count	0
2724682	Isotope_Atom_Count	0
5284513	Defined_Bond_Stereo_Count	4
29927142	Defined_Atom_Stereo_Count	0
12004215	Exact_Mass	1066.45758730
2708	Hydrogen_Bond_Acceptor_Count	3
20334570	Rotatable_Bond_Count	2
448009	Exact_Mass	163.12084340
439369	TPSA	340
6673	Hydrogen_Bond_Donor_Count	0
11163584	Defined_Bond_Stereo_Count	0
505	Rotatable_Bond_Count	5
3081361	XLogP3-AA	4.9
963289	Hydrogen_Bond_Acceptor_Count	3
17309	Non-hydrogen_Atom_Count	10
20871316	Mono_Isotopic_Weight	112.088815002
71391652	Hydrogen_Bond_Donor_Count	0
878	Molecular_Weight	48.11
2206	Undefined_Atom_Stereo_Count	0
10872638	Total_Formal_Charge	0
22563961	Hydrogen_Bond_Acceptor_Count	1
387447	Total_Formal_Charge	0
10579	Defined_Bond_Stereo_Count	0
6077765	Defined_Bond_Stereo_Count	1
667639	Defined_Bond_Stereo_Count	1
22020874	Rotatable_Bond_Count	0
6681	Total_Formal_Charge	0
77903	Molecular_Weight	276.4
92043446	Defined_Atom_Stereo_Count	4
71094775	Non-hydrogen_Atom_Count	23
25868	Structure_Complexity	23.5
6434112	Structure_Complexity	688
22081028	Exact_Mass	113.047678466
23635674	Hydrogen_Bond_Acceptor_Count	7
17755	Molecular_Weight	102.13
9771	TPSA	38.7
3007984	Covalent_Unit_Count	1
441014	Defined_Bond_Stereo_Count	0
59067341	Total_Formal_Charge	0
49862629	Hydrogen_Bond_Acceptor_Count	6
64617	Isotope_Atom_Count	0
101182	Hydrogen_Bond_Acceptor_Count	4
82468	Defined_Atom_Stereo_Count	0
167253	Undefined_Atom_Stereo_Count	0
11095	Covalent_Unit_Count	1
67821	Mono_Isotopic_Weight	463.9705080
643984	Hydrogen_Bond_Donor_Count	1
96821	Total_Formal_Charge	0
12519677	Rotatable_Bond_Count	1
18458	Rotatable_Bond_Count	2
23663979	Covalent_Unit_Count	2
161764	Non-hydrogen_Atom_Count	29
7886	Defined_Atom_Stereo_Count	0
9832301	Hydrogen_Bond_Donor_Count	7
6917795	Mono_Isotopic_Weight	406.27192431
13990016	Defined_Bond_Stereo_Count	0
11263471	Structure_Complexity	131
135191	Defined_Bond_Stereo_Count	0
118197550	Exact_Mass	103.063328530
2698	Molecular_Weight	543.7
398508	Hydrogen_Bond_Donor_Count	0
453077	Molecular_Weight	220.27
25127299	Covalent_Unit_Count	1
72200226	Mono_Isotopic_Weight	483.25715763
6977135	Total_Formal_Charge	0
79323705	Molecular_Weight	112.17
12589	Non-hydrogen_Atom_Count	9
59221	Molecular_Weight	368.4
4943	Mono_Isotopic_Weight	178.135765193
16154789	XLogP3-AA	1.7
24066	Tautomer_Count	3
2119	Defined_Bond_Stereo_Count	0
6016	Hydrogen_Bond_Acceptor_Count	2
121233058	Structure_Complexity	277
65583	Isotope_Atom_Count	0
54585642	Covalent_Unit_Count	1
12720	Mono_Isotopic_Weight	52.0313001276
1549992	Tautomer_Count	1
46861612	TPSA	54
12024	Hydrogen_Bond_Acceptor_Count	1
23899	Undefined_Atom_Stereo_Count	4
86288	Structure_Complexity	408
67284	Undefined_Bond_Stereo_Count	0
6327132	Total_Formal_Charge	0
51055169	Hydrogen_Bond_Donor_Count	3
64350	Covalent_Unit_Count	2
122232532	Undefined_Atom_Stereo_Count	0
54066	Exact_Mass	250.168127949
124524515	Undefined_Bond_Stereo_Count	0
144292374	Isotope_Atom_Count	0
22326	Undefined_Atom_Stereo_Count	0
16932	Exact_Mass	216.093900383
10160238	Structure_Complexity	471
12301251	Undefined_Bond_Stereo_Count	0
66048	Covalent_Unit_Count	1
122235961	Undefined_Atom_Stereo_Count	2
74062	Total_Formal_Charge	0
88257494	Defined_Atom_Stereo_Count	0
10476	Mono_Isotopic_Weight	104.92141
83909	Defined_Atom_Stereo_Count	0
34328	Covalent_Unit_Count	1
71406	Non-hydrogen_Atom_Count	41
21584507	Molecular_Weight	119.14
13348002	Rotatable_Bond_Count	0
6435808	Defined_Bond_Stereo_Count	1
18681973	Undefined_Bond_Stereo_Count	0
72786882	Undefined_Bond_Stereo_Count	0
16323	Molecular_Weight	188.65
6342	Non-hydrogen_Atom_Count	3
52931256	Structure_Complexity	927
628397	Undefined_Bond_Stereo_Count	0
71323	Tautomer_Count	2
4127	Structure_Complexity	299
46477	Rotatable_Bond_Count	1
6781	Undefined_Bond_Stereo_Count	0
54192233	Exact_Mass	143.131014166
6973640	Isotope_Atom_Count	0
78323	Non-hydrogen_Atom_Count	11
14818493	Total_Formal_Charge	0
1365	Undefined_Bond_Stereo_Count	0
80	Molecular_Weight	172.13
6440459	Mono_Isotopic_Weight	794.36980042
139670117	Undefined_Atom_Stereo_Count	1
82511	Rotatable_Bond_Count	9
14710	Total_Formal_Charge	0
9795	Molecular_Weight	191.11
11485	Undefined_Atom_Stereo_Count	0
82718176	Mono_Isotopic_Weight	116.083729621
193290	Structure_Complexity	130
130471	XLogP3-AA	1.1
13401998	TPSA	21.3
11815296	TPSA	18.5
129737769	Covalent_Unit_Count	1
61902348	Hydrogen_Bond_Acceptor_Count	2
97697	TPSA	29
10471931	Defined_Atom_Stereo_Count	0
20502	Hydrogen_Bond_Donor_Count	0
38883	Mono_Isotopic_Weight	116.083729621
36995	Undefined_Bond_Stereo_Count	0
79491	Undefined_Atom_Stereo_Count	0
13493	Defined_Bond_Stereo_Count	0
736331	Mono_Isotopic_Weight	221.10519334
10102	Molecular_Weight	204.35
11234350	Undefined_Atom_Stereo_Count	0
436906	Molecular_Weight	287.71
25961	Rotatable_Bond_Count	6
701186	Defined_Atom_Stereo_Count	1
6810	Undefined_Atom_Stereo_Count	2
158693	Mono_Isotopic_Weight	168.078644241
241	XLogP3	2.1
534959	Mono_Isotopic_Weight	98.073164938
94412	XLogP3-AA	5.6
25222253	Molecular_Weight	231.11
19935381	Molecular_Weight	110.15
129753765	Structure_Complexity	160
45120378	Molecular_Weight	111.14
74663	Undefined_Bond_Stereo_Count	0
44310743	Hydrogen_Bond_Acceptor_Count	4
16219	TPSA	3.2
12502855	Rotatable_Bond_Count	0
547110	Isotope_Atom_Count	0
3025721	Exact_Mass	222.079312947
71681318	Defined_Atom_Stereo_Count	0
800	Mono_Isotopic_Weight	159.068413911
20952	Covalent_Unit_Count	1
8341	Covalent_Unit_Count	1
10148984	Defined_Atom_Stereo_Count	0
21579142	Covalent_Unit_Count	1
74041114	Undefined_Bond_Stereo_Count	0
87503479	Defined_Atom_Stereo_Count	0
44404716	Exact_Mass	543.25556322
10766	Covalent_Unit_Count	2
10953	Hydrogen_Bond_Donor_Count	0
69627068	Isotope_Atom_Count	0
88771736	Rotatable_Bond_Count	1
15208	Hydrogen_Bond_Acceptor_Count	4
606430	Mono_Isotopic_Weight	208.109944368
20612	Tautomer_Count	5
101582408	Molecular_Weight	531.6
80302	Undefined_Bond_Stereo_Count	1
194791	Exact_Mass	833.27485046
7610	Defined_Bond_Stereo_Count	0
537236	Isotope_Atom_Count	0
10336591	Rotatable_Bond_Count	2
9915743	Undefined_Atom_Stereo_Count	0
32429	Undefined_Atom_Stereo_Count	0
23725095	Undefined_Atom_Stereo_Count	0
53895	Defined_Bond_Stereo_Count	0
135522261	Molecular_Weight	268.23
6918496	Hydrogen_Bond_Acceptor_Count	3
65784	Hydrogen_Bond_Acceptor_Count	4
84586	Non-hydrogen_Atom_Count	20
6695	Non-hydrogen_Atom_Count	33
124504	TPSA	26.3
123875607	XLogP3-AA	0.1
24812731	Structure_Complexity	841
23054502	Exact_Mass	113.047678466
60196366	Hydrogen_Bond_Donor_Count	6
61105	Non-hydrogen_Atom_Count	7
16906	Undefined_Bond_Stereo_Count	0
77449069	Total_Formal_Charge	0
10419	Mono_Isotopic_Weight	54.0469501914
14523552	Covalent_Unit_Count	1
12367598	Molecular_Weight	116.16
866077	TPSA	82.3
39971	Covalent_Unit_Count	1
5281706	Undefined_Bond_Stereo_Count	0
138677	Hydrogen_Bond_Donor_Count	1
3082221	Hydrogen_Bond_Acceptor_Count	5
90488724	Hydrogen_Bond_Acceptor_Count	23
11305985	Rotatable_Bond_Count	14
136060671	Molecular_Weight	181.23
16049088	XLogP3-AA	2.9
153442	Hydrogen_Bond_Donor_Count	1
23667300	Molecular_Weight	449.4
13692036	Hydrogen_Bond_Acceptor_Count	3
1877	TPSA	37.3
91429	Structure_Complexity	457
85854	Hydrogen_Bond_Donor_Count	1
81923	Undefined_Atom_Stereo_Count	0
129856713	Molecular_Weight	176.14
101944071	Hydrogen_Bond_Acceptor_Count	4
44152363	Exact_Mass	459.26342531
2883813	Defined_Atom_Stereo_Count	0
14660779	Total_Formal_Charge	0
49243	Covalent_Unit_Count	1
7558	XLogP3	3.5
5566	Mono_Isotopic_Weight	407.16430344
14919832	Total_Formal_Charge	0
5808883	Exact_Mass	872.49220697
165637859	Total_Formal_Charge	0
54462496	Molecular_Weight	95.10
18597	Non-hydrogen_Atom_Count	11
89332529	Exact_Mass	180.06338810
453251	Structure_Complexity	346
15981292	Hydrogen_Bond_Donor_Count	2
42104317	Total_Formal_Charge	0
6089	Hydrogen_Bond_Donor_Count	1
8458	Hydrogen_Bond_Acceptor_Count	5
10444160	Mono_Isotopic_Weight	237.10010796
25014596	Isotope_Atom_Count	0
83805	Molecular_Weight	383.23
46173707	Defined_Atom_Stereo_Count	15
3104	TPSA	270
13356643	TPSA	20.2
23696271	Rotatable_Bond_Count	0
3796	Molecular_Weight	455.10
9950891	Molecular_Weight	363.4
159952	Defined_Atom_Stereo_Count	0
22318809	Defined_Atom_Stereo_Count	0
5321765	Undefined_Atom_Stereo_Count	0
5281116	Mono_Isotopic_Weight	338.318480578
6530	Hydrogen_Bond_Acceptor_Count	4
9883149	Hydrogen_Bond_Donor_Count	1
136836	Undefined_Bond_Stereo_Count	0
72685	Undefined_Bond_Stereo_Count	0
70687998	Rotatable_Bond_Count	4
57784	Defined_Bond_Stereo_Count	0
99451	Exact_Mass	203.91958482
6917839	Total_Formal_Charge	0
24901657	TPSA	134
91333	Defined_Bond_Stereo_Count	0
21466942	Mono_Isotopic_Weight	103.063328530
75530159	Structure_Complexity	173
88010906	Non-hydrogen_Atom_Count	8
439299	Structure_Complexity	367
11604	Exact_Mass	81.057849228
48346	Covalent_Unit_Count	1
317677	Rotatable_Bond_Count	2
35922	Exact_Mass	301.14780704
9212	Defined_Bond_Stereo_Count	0
9330	Covalent_Unit_Count	1
31953	Total_Formal_Charge	0
3489	Molecular_Weight	297.4
56928080	Covalent_Unit_Count	1
24765417	XLogP3-AA	2.4
16426	Total_Formal_Charge	0
12236939	Rotatable_Bond_Count	0
13601826	Defined_Atom_Stereo_Count	0
4356	Covalent_Unit_Count	1
79316	Undefined_Atom_Stereo_Count	0
6918076	Defined_Bond_Stereo_Count	0
66636	TPSA	59
11788287	Covalent_Unit_Count	1
126479882	Mono_Isotopic_Weight	637.15978786
135985126	Isotope_Atom_Count	0
83966	Molecular_Weight	331.32
71721420	Non-hydrogen_Atom_Count	8
21637412	Undefined_Atom_Stereo_Count	0
57782	Hydrogen_Bond_Acceptor_Count	4
642633	Molecular_Weight	114.19
73554303	Non-hydrogen_Atom_Count	13
9284	Structure_Complexity	330
12301	Defined_Atom_Stereo_Count	0
3811100	Defined_Bond_Stereo_Count	0
28754	Undefined_Bond_Stereo_Count	0
9701	Structure_Complexity	144
168871	Molecular_Weight	563.7
66624059	Covalent_Unit_Count	1
7985	Non-hydrogen_Atom_Count	25
263373	Isotope_Atom_Count	0
138527	Exact_Mass	278.18819469
135402037	Exact_Mass	268.08076950
13424661	TPSA	126
71333302	Defined_Atom_Stereo_Count	0
22502	Defined_Bond_Stereo_Count	0
257	Total_Formal_Charge	0
11393	Exact_Mass	186.068079557
67388618	Hydrogen_Bond_Acceptor_Count	7
63179	Hydrogen_Bond_Acceptor_Count	5
4787	TPSA	64.5
23327	Hydrogen_Bond_Donor_Count	3
11128	Non-hydrogen_Atom_Count	17
1712087	Undefined_Bond_Stereo_Count	0
56471	Molecular_Weight	183.21
9936489	Molecular_Weight	520.0
135618566	Tautomer_Count	7
7071	Rotatable_Bond_Count	1
156599239	Exact_Mass	416.32904526
15940197	Hydrogen_Bond_Donor_Count	5
20666911	Defined_Atom_Stereo_Count	0
6999106	Defined_Atom_Stereo_Count	0
15271454	Structure_Complexity	149
129888394	Mono_Isotopic_Weight	108.057514874
70220	Rotatable_Bond_Count	2
18338555	XLogP3-AA	0.2
71757929	TPSA	17.1
12101	Exact_Mass	122.073164938
134693315	Covalent_Unit_Count	1
101955	Defined_Bond_Stereo_Count	0
74282	XLogP3-AA	4.1
78330	Total_Formal_Charge	0
2816568	Isotope_Atom_Count	0
129	Defined_Bond_Stereo_Count	0
2734680	Molecular_Weight	562.0
9158	Defined_Bond_Stereo_Count	0
472946	Isotope_Atom_Count	0
68090055	TPSA	26
51042	TPSA	0
10931381	Defined_Bond_Stereo_Count	0
443041	Exact_Mass	324.98845
129812487	Structure_Complexity	83.6
70995	Covalent_Unit_Count	1
9869929	Structure_Complexity	642
71849	Covalent_Unit_Count	3
10437166	Defined_Bond_Stereo_Count	0
4752	Rotatable_Bond_Count	4
16684463	Rotatable_Bond_Count	8
123804924	TPSA	20.3
21917382	TPSA	6.5
688009	Rotatable_Bond_Count	3
21805653	Structure_Complexity	72.9
59704271	Rotatable_Bond_Count	15
23916	Undefined_Bond_Stereo_Count	1
5282184	Hydrogen_Bond_Donor_Count	0
58070804	Hydrogen_Bond_Acceptor_Count	6
234808	Rotatable_Bond_Count	0
70697506	Exact_Mass	311.07284784
165778332	Undefined_Bond_Stereo_Count	0
70480837	Covalent_Unit_Count	1
58242071	Undefined_Atom_Stereo_Count	2
142350	Rotatable_Bond_Count	1
133613144	Mono_Isotopic_Weight	913.51875607
2812075	Rotatable_Bond_Count	4
28561	TPSA	80
94377	Structure_Complexity	190
71349	Hydrogen_Bond_Acceptor_Count	14
75282141	Hydrogen_Bond_Donor_Count	0
7392	Non-hydrogen_Atom_Count	11
981362	Covalent_Unit_Count	1
15858955	Structure_Complexity	528
67233382	Rotatable_Bond_Count	3
41351	Molecular_Weight	397.8
88266	Hydrogen_Bond_Acceptor_Count	1
15575	Undefined_Bond_Stereo_Count	0
2224	Mono_Isotopic_Weight	356.23270009
12963	Covalent_Unit_Count	1
38221	TPSA	144
135409474	Covalent_Unit_Count	1
115011065	Isotope_Atom_Count	0
443951	Covalent_Unit_Count	1
10870	Structure_Complexity	78
21942072	Mono_Isotopic_Weight	98.084398327
70957463	Structure_Complexity	351
10972	Molecular_Weight	117.10
10309114	Undefined_Bond_Stereo_Count	0
17894357	XLogP3-AA	0.5
493342	Non-hydrogen_Atom_Count	23
6899	Hydrogen_Bond_Acceptor_Count	1
20239	Structure_Complexity	103
13311902	Hydrogen_Bond_Acceptor_Count	1
6114	Covalent_Unit_Count	2
54688694	Molecular_Weight	459.4
6455792	Undefined_Bond_Stereo_Count	0
23430	Non-hydrogen_Atom_Count	32
719044	XLogP3-AA	0.8
71157	Hydrogen_Bond_Acceptor_Count	2
13282	Exact_Mass	250.03949583
62472	Isotope_Atom_Count	0
18798529	Hydrogen_Bond_Acceptor_Count	0
9988947	Defined_Atom_Stereo_Count	10
11715767	XLogP3-AA	0.6
3790357	Hydrogen_Bond_Donor_Count	1
2724126	Total_Formal_Charge	0
43371	Hydrogen_Bond_Donor_Count	0
14626842	Molecular_Weight	420.5
5281650	Undefined_Bond_Stereo_Count	0
91231076	XLogP3-AA	1.5
5795	Mono_Isotopic_Weight	272.1291556
522536	Hydrogen_Bond_Acceptor_Count	2
135544014	Hydrogen_Bond_Donor_Count	4
151726	Tautomer_Count	16
67749	XLogP3-AA	1.6
53796209	Exact_Mass	102.068079557
104150	XLogP3-AA	1.2
123691367	TPSA	20.2
71450115	XLogP3-AA	3.3
11727234	Hydrogen_Bond_Donor_Count	5
6779	Tautomer_Count	1
34296	Molecular_Weight	112.19
540877	Undefined_Atom_Stereo_Count	6
10197612	Isotope_Atom_Count	0
716121	Hydrogen_Bond_Donor_Count	0
9871883	Exact_Mass	500.12289212
59189059	Covalent_Unit_Count	1
13804	Exact_Mass	488.10733165
395450	Hydrogen_Bond_Donor_Count	0
6617	XLogP3-AA	1.8
71743842	Undefined_Bond_Stereo_Count	0
160244305	Defined_Atom_Stereo_Count	12
10285778	Covalent_Unit_Count	1
5216	Undefined_Atom_Stereo_Count	0
11174599	Defined_Atom_Stereo_Count	9
73700849	Undefined_Atom_Stereo_Count	0
44263804	Mono_Isotopic_Weight	415.1914215
5702609	Exact_Mass	264.13615911
21889836	Exact_Mass	679.40573244
11227182	Covalent_Unit_Count	2
626732	Defined_Atom_Stereo_Count	0
550642	Hydrogen_Bond_Acceptor_Count	1
135398513	Undefined_Atom_Stereo_Count	0
121599	Hydrogen_Bond_Donor_Count	0
2537	Hydrogen_Bond_Acceptor_Count	1
300312	Mono_Isotopic_Weight	112.088815002
35784	TPSA	20.2
143289	Defined_Atom_Stereo_Count	0
444	Hydrogen_Bond_Donor_Count	1
15065	Defined_Atom_Stereo_Count	0
59286	Structure_Complexity	290
135456190	Exact_Mass	328.15870608
6746	Isotope_Atom_Count	0
444022	Tautomer_Count	8
9837243	Tautomer_Count	6
5355751	Tautomer_Count	8
6425135	Undefined_Atom_Stereo_Count	0
3587356	Rotatable_Bond_Count	1
6440871	Hydrogen_Bond_Acceptor_Count	7
387	Covalent_Unit_Count	1
11957590	Hydrogen_Bond_Donor_Count	3
8368	Exact_Mass	159.9846556
42078	Defined_Bond_Stereo_Count	0
213145	XLogP3-AA	0.6
95069	Structure_Complexity	308
118988145	Hydrogen_Bond_Acceptor_Count	14
57400027	Rotatable_Bond_Count	3
26295	XLogP3	2.5
411862	Isotope_Atom_Count	0
59525132	Isotope_Atom_Count	0
59117176	Non-hydrogen_Atom_Count	8
492303	Covalent_Unit_Count	1
53664307	Non-hydrogen_Atom_Count	7
70846	Hydrogen_Bond_Donor_Count	0
62828	Exact_Mass	460.41859625
12114682	Covalent_Unit_Count	3
123723	Exact_Mass	361.16779360
12425839	Covalent_Unit_Count	1
118797455	Undefined_Atom_Stereo_Count	6
12579408	Non-hydrogen_Atom_Count	7
6400264	Rotatable_Bond_Count	1
540327	Isotope_Atom_Count	0
19858611	Total_Formal_Charge	0
129721137	Defined_Atom_Stereo_Count	6
2101	Rotatable_Bond_Count	2
12744	Covalent_Unit_Count	1
145720674	Hydrogen_Bond_Acceptor_Count	20
7102	Total_Formal_Charge	0
135398752	Covalent_Unit_Count	1
138200	Structure_Complexity	101
101120059	Mono_Isotopic_Weight	268.125200510
1479	Undefined_Bond_Stereo_Count	1
65981	Tautomer_Count	11
400	Hydrogen_Bond_Acceptor_Count	2
137347968	Defined_Bond_Stereo_Count	0
69480	Hydrogen_Bond_Donor_Count	0
13639659	Isotope_Atom_Count	0
6136	Hydrogen_Bond_Acceptor_Count	5
5347	Isotope_Atom_Count	0
123357638	Hydrogen_Bond_Donor_Count	1
90495	Defined_Bond_Stereo_Count	0
62403	Rotatable_Bond_Count	9
138059664	Hydrogen_Bond_Donor_Count	20
19089	Rotatable_Bond_Count	3
11516136	XLogP3-AA	0.6
137759	TPSA	30.7
66683200	Undefined_Atom_Stereo_Count	1
1857	TPSA	103
71517698	TPSA	125
10773310	Exact_Mass	163.110947427
31811	Non-hydrogen_Atom_Count	16
16141	Undefined_Bond_Stereo_Count	0
5460094	Exact_Mass	527.23263824
803	Isotope_Atom_Count	0
5458730	XLogP3-AA	2.6
243400	TPSA	26.3
36209	Rotatable_Bond_Count	9
73896891	Undefined_Atom_Stereo_Count	0
88358812	Isotope_Atom_Count	0
162955	Molecular_Weight	378.5
129700770	Covalent_Unit_Count	1
18614	Isotope_Atom_Count	0
2383	Non-hydrogen_Atom_Count	9
53380818	Covalent_Unit_Count	1
39648	Defined_Atom_Stereo_Count	0
2709	Isotope_Atom_Count	0
3810	Rotatable_Bond_Count	7
104967	Mono_Isotopic_Weight	132.90545196
63974	Hydrogen_Bond_Acceptor_Count	6
6451151	Exact_Mass	334.03922449
21643653	Defined_Bond_Stereo_Count	0
92155	Molecular_Weight	410.7
701038	Rotatable_Bond_Count	2
23260879	Total_Formal_Charge	0
83895	TPSA	14.9
12082850	Hydrogen_Bond_Donor_Count	5
19851629	Non-hydrogen_Atom_Count	18
9698786	TPSA	54.6
65825	Hydrogen_Bond_Acceptor_Count	2
2366	Hydrogen_Bond_Donor_Count	1
9848869	Rotatable_Bond_Count	9
101611446	Defined_Atom_Stereo_Count	5
36688091	Mono_Isotopic_Weight	191.11441535
15287162	Structure_Complexity	735
14338	Tautomer_Count	1
57750407	XLogP3-AA	3.3
54133029	Undefined_Bond_Stereo_Count	0
594130	TPSA	44
272282	Defined_Bond_Stereo_Count	0
141225356	Defined_Bond_Stereo_Count	1
439224	Mono_Isotopic_Weight	226.10659032
68284	Rotatable_Bond_Count	1
75258	Structure_Complexity	384
98723	Undefined_Atom_Stereo_Count	0
60196262	Hydrogen_Bond_Acceptor_Count	22
6917707	TPSA	200
54572926	Isotope_Atom_Count	0
22463	Structure_Complexity	380
123870	TPSA	26
54340209	Exact_Mass	113.022526347
3277	Covalent_Unit_Count	1
13019052	Mono_Isotopic_Weight	416.32904526
54111851	Total_Formal_Charge	0
55285271	Rotatable_Bond_Count	1
90476955	TPSA	0
102242	Non-hydrogen_Atom_Count	22
123264207	Undefined_Atom_Stereo_Count	0
642325	XLogP3-AA	1.4
14759	Molecular_Weight	178.27
20782671	Non-hydrogen_Atom_Count	8
4427	Isotope_Atom_Count	0
45116684	Covalent_Unit_Count	1
14039779	Non-hydrogen_Atom_Count	7
20751579	Exact_Mass	472.25331412
59022304	Isotope_Atom_Count	0
6731	Rotatable_Bond_Count	1
9909677	Isotope_Atom_Count	0
61540	Undefined_Bond_Stereo_Count	0
19657	Molecular_Weight	216.20
13487335	Undefined_Atom_Stereo_Count	2
12275055	Defined_Atom_Stereo_Count	0
543014	Undefined_Atom_Stereo_Count	0
30251	Mono_Isotopic_Weight	283.0894550
115367	Hydrogen_Bond_Donor_Count	1
154574495	Rotatable_Bond_Count	2
473148	Total_Formal_Charge	0
44144	Structure_Complexity	619
18626415	Total_Formal_Charge	0
442993	Rotatable_Bond_Count	5
2775816	Mono_Isotopic_Weight	124.0403406
56973549	TPSA	114
92163	Mono_Isotopic_Weight	256.1342410
71600	Structure_Complexity	79.1
135556691	Undefined_Atom_Stereo_Count	0
6478	Defined_Atom_Stereo_Count	0
63958	Total_Formal_Charge	0
13299177	Exact_Mass	94.078250319
26955	Non-hydrogen_Atom_Count	14
78739	Isotope_Atom_Count	0
70684313	Mono_Isotopic_Weight	411.15560620
11095291	Exact_Mass	183.9714332
97724	Molecular_Weight	154.21
843179	TPSA	82.8
11886769	Structure_Complexity	382
53825954	Exact_Mass	446.26683893
156617908	Non-hydrogen_Atom_Count	23
7506	Defined_Bond_Stereo_Count	0
7011	Molecular_Weight	163.22
71713950	Isotope_Atom_Count	0
75564	XLogP3-AA	0
61663	Undefined_Atom_Stereo_Count	0
74236	Hydrogen_Bond_Donor_Count	0
25015463	Structure_Complexity	801
2733487	Defined_Atom_Stereo_Count	10
25261	Rotatable_Bond_Count	7
1476857	Structure_Complexity	304
11350631	Non-hydrogen_Atom_Count	27
44565798	Undefined_Bond_Stereo_Count	0
7873	Molecular_Weight	290.19
62388	Exact_Mass	224.14124450
5281116	Molecular_Weight	338.6
8121	Undefined_Bond_Stereo_Count	0
84682	Covalent_Unit_Count	1
138950	Defined_Atom_Stereo_Count	0
8154	TPSA	0
32592	Rotatable_Bond_Count	7
208924	Defined_Bond_Stereo_Count	0
21282995	Total_Formal_Charge	0
45084984	TPSA	17.1
5587	Molecular_Weight	255.36
2723722	Exact_Mass	358.25079494
58233	Rotatable_Bond_Count	5
12695798	Covalent_Unit_Count	1
491161	Undefined_Atom_Stereo_Count	0
5282198	Total_Formal_Charge	0
85495	Isotope_Atom_Count	0
23690437	Defined_Atom_Stereo_Count	0
9871	Hydrogen_Bond_Acceptor_Count	4
19385	Total_Formal_Charge	0
13664903	Total_Formal_Charge	0
208832	Tautomer_Count	2
141997006	Defined_Bond_Stereo_Count	0
54084075	Hydrogen_Bond_Acceptor_Count	7
20439251	Undefined_Atom_Stereo_Count	1
42337	Isotope_Atom_Count	0
13003	Isotope_Atom_Count	0
160523	Covalent_Unit_Count	3
6883	Molecular_Weight	236.14
30541	TPSA	29.5
68601	Structure_Complexity	205
49862872	Rotatable_Bond_Count	2
3033017	Tautomer_Count	3
442431	Rotatable_Bond_Count	6
25142177	Total_Formal_Charge	0
161105	Defined_Bond_Stereo_Count	0
1259	XLogP3-AA	4.3
52945646	Rotatable_Bond_Count	5
123672484	Structure_Complexity	78.6
68993193	Undefined_Atom_Stereo_Count	0
2724065	Total_Formal_Charge	0
67242545	Defined_Atom_Stereo_Count	0
9874175	Rotatable_Bond_Count	17
15632248	Non-hydrogen_Atom_Count	8
16155603	Molecular_Weight	2153.2
91820194	Molecular_Weight	238.19
481709	Undefined_Bond_Stereo_Count	0
154392753	Rotatable_Bond_Count	1
2734232	Rotatable_Bond_Count	15
954673	TPSA	82.9
14313438	Mono_Isotopic_Weight	111.043261792
6918572	Total_Formal_Charge	0
638066	Mono_Isotopic_Weight	84.093900383
9828138	Rotatable_Bond_Count	3
44348	Covalent_Unit_Count	1
12725	Tautomer_Count	3
3168	TPSA	52.6
103656	XLogP3-AA	2
27781	TPSA	23.6
68203	Hydrogen_Bond_Donor_Count	0
92268	Rotatable_Bond_Count	0
12811926	Total_Formal_Charge	0
44577611	Defined_Atom_Stereo_Count	0
14872190	Undefined_Bond_Stereo_Count	0
13991585	Covalent_Unit_Count	1
4009	Covalent_Unit_Count	1
1730	Covalent_Unit_Count	1
104729	Molecular_Weight	58.93319
5310969	Exact_Mass	164.094963011
11949285	Tautomer_Count	1
58664	Isotope_Atom_Count	0
6328250	Exact_Mass	215.02619149
5312125	Isotope_Atom_Count	0
45085139	Total_Formal_Charge	0
543855	Hydrogen_Bond_Acceptor_Count	2
11583971	Undefined_Atom_Stereo_Count	0
22924371	Hydrogen_Bond_Acceptor_Count	2
44521024	Non-hydrogen_Atom_Count	34
446284	Structure_Complexity	398
18981712	TPSA	3.2
140159201	Structure_Complexity	52
112230	Undefined_Bond_Stereo_Count	0
130642949	Total_Formal_Charge	0
10236235	TPSA	161
3708	Covalent_Unit_Count	1
56646651	Isotope_Atom_Count	0
11497836	Hydrogen_Bond_Acceptor_Count	7
31811	Mono_Isotopic_Weight	227.07937252
6399027	Covalent_Unit_Count	1
15897928	Total_Formal_Charge	0
79960033	Undefined_Atom_Stereo_Count	1
25202562	Exact_Mass	357.958759
73707356	Covalent_Unit_Count	2
85614476	Defined_Atom_Stereo_Count	0
6331075	Rotatable_Bond_Count	8
98055	XLogP3-AA	4
13804280	Exact_Mass	112.027277375
23354329	Non-hydrogen_Atom_Count	8
15715874	Hydrogen_Bond_Donor_Count	1
5817	Undefined_Atom_Stereo_Count	0
61922	Non-hydrogen_Atom_Count	7
10850	XLogP3-AA	8.9
9116	Rotatable_Bond_Count	0
72093	Molecular_Weight	483.7
445892	Rotatable_Bond_Count	2
81451	Undefined_Bond_Stereo_Count	0
50538	Mono_Isotopic_Weight	327.1156697
87946	Exact_Mass	181.01974964
7348	Isotope_Atom_Count	0
102594130	Non-hydrogen_Atom_Count	295
82593565	TPSA	26.3
40469136	Isotope_Atom_Count	0
11332503	Tautomer_Count	1
10107	Exact_Mass	357.969529
19083150	TPSA	17.8
100516	Mono_Isotopic_Weight	439.16041680
16134395	Hydrogen_Bond_Donor_Count	22
11310242	Undefined_Bond_Stereo_Count	0
914899	TPSA	38.7
91688	Isotope_Atom_Count	0
165646906	Molecular_Weight	108.18
134564038	Mono_Isotopic_Weight	109.063997236
7721	Non-hydrogen_Atom_Count	9
5476374	Defined_Bond_Stereo_Count	0
55288840	Isotope_Atom_Count	0
7243	Hydrogen_Bond_Acceptor_Count	2
443942	Isotope_Atom_Count	0
67630	Defined_Atom_Stereo_Count	0
2431	Hydrogen_Bond_Donor_Count	0
57916384	Isotope_Atom_Count	0
32241	Covalent_Unit_Count	1
8187	Covalent_Unit_Count	1
23666456	Non-hydrogen_Atom_Count	7
6450816	Undefined_Bond_Stereo_Count	0
155742	TPSA	40.5
101250074	Undefined_Bond_Stereo_Count	0
11251803	Defined_Atom_Stereo_Count	16
21539078	Defined_Bond_Stereo_Count	0
9846339	Isotope_Atom_Count	0
2318	XLogP3-AA	4.6
7714	Non-hydrogen_Atom_Count	13
135565082	Exact_Mass	380.11971542
8895	Total_Formal_Charge	0
80873	Molecular_Weight	360.6
3083992	Defined_Bond_Stereo_Count	0
4011	Rotatable_Bond_Count	4
15034112	Isotope_Atom_Count	0
10355488	XLogP3-AA	0.7
19089767	Mono_Isotopic_Weight	101.047678466
17788563	Covalent_Unit_Count	1
139375	Exact_Mass	107.073499291
13506	Exact_Mass	603.92689092
137090	Rotatable_Bond_Count	0
43193	Total_Formal_Charge	0
1115	Undefined_Atom_Stereo_Count	9
57644703	Total_Formal_Charge	0
80045	XLogP3	1.9
28125489	Molecular_Weight	234.31
16212773	Structure_Complexity	382
102228006	XLogP3-AA	4.5
13155711	Defined_Atom_Stereo_Count	0
13400658	Hydrogen_Bond_Donor_Count	2
22060	Undefined_Bond_Stereo_Count	0
60047	TPSA	127
43558816	Defined_Atom_Stereo_Count	0
91751	Isotope_Atom_Count	0
154518370	Hydrogen_Bond_Acceptor_Count	0
344200	Total_Formal_Charge	0
17607	Undefined_Bond_Stereo_Count	0
23421180	Structure_Complexity	540
70686474	Rotatable_Bond_Count	7
22181555	Non-hydrogen_Atom_Count	7
6435507	Covalent_Unit_Count	1
40146	Rotatable_Bond_Count	3
618542	Total_Formal_Charge	0
90613	Non-hydrogen_Atom_Count	16
12295187	Rotatable_Bond_Count	0
2077	Defined_Bond_Stereo_Count	0
6417	Exact_Mass	102.068079557
23079483	Tautomer_Count	6
16124688	Structure_Complexity	705
69340339	Undefined_Bond_Stereo_Count	0
74745	Hydrogen_Bond_Donor_Count	0
15150444	Molecular_Weight	83.13
127030	Covalent_Unit_Count	1
141980253	Structure_Complexity	109
129718862	XLogP3-AA	3.6
23080684	TPSA	37.8
9835852	XLogP3-AA	1.8
44458766	Hydrogen_Bond_Donor_Count	4
43002	Hydrogen_Bond_Acceptor_Count	5
447001	Hydrogen_Bond_Donor_Count	4
22967022	Defined_Bond_Stereo_Count	0
18569	Non-hydrogen_Atom_Count	6
60202105	Covalent_Unit_Count	1
519161	Exact_Mass	84.093900383
53348188	Hydrogen_Bond_Acceptor_Count	8
46906035	Defined_Bond_Stereo_Count	0
8642	Non-hydrogen_Atom_Count	21
9910975	Isotope_Atom_Count	0
1502	Defined_Bond_Stereo_Count	0
22978371	Mono_Isotopic_Weight	109.052763847
3413278	Total_Formal_Charge	1
53815669	Hydrogen_Bond_Acceptor_Count	2
447378	Rotatable_Bond_Count	6
17806836	Defined_Bond_Stereo_Count	0
15359	Hydrogen_Bond_Acceptor_Count	6
29199	Defined_Bond_Stereo_Count	0
42105518	Hydrogen_Bond_Acceptor_Count	1
68007244	Total_Formal_Charge	0
139375	Defined_Atom_Stereo_Count	0
165558	Structure_Complexity	641
2329	Mono_Isotopic_Weight	404.13722174
662	Defined_Bond_Stereo_Count	0
95890	Defined_Atom_Stereo_Count	0
664338	Non-hydrogen_Atom_Count	28
6409631	Defined_Bond_Stereo_Count	0
63786	Isotope_Atom_Count	0
10178	Undefined_Bond_Stereo_Count	0
25419	Undefined_Bond_Stereo_Count	0
21867906	Structure_Complexity	513
65894	Defined_Bond_Stereo_Count	0
55284046	Defined_Bond_Stereo_Count	0
398652	Exact_Mass	429.16885622
159325	Undefined_Atom_Stereo_Count	0
1966	Rotatable_Bond_Count	19
56959087	Structure_Complexity	899
65728	Defined_Bond_Stereo_Count	0
259360	Defined_Atom_Stereo_Count	0
70381	Molecular_Weight	225.28
14449398	Exact_Mass	116.01860440
134754219	Mono_Isotopic_Weight	785.35235945
21407	TPSA	29.1
21792546	Non-hydrogen_Atom_Count	18
5365794	Tautomer_Count	1
55329	Molecular_Weight	263.34
80296024	Undefined_Bond_Stereo_Count	0
44447915	Defined_Atom_Stereo_Count	0
21159502	Undefined_Bond_Stereo_Count	0
5920	Rotatable_Bond_Count	5
71336	Isotope_Atom_Count	0
11556911	Defined_Bond_Stereo_Count	0
67375395	Non-hydrogen_Atom_Count	31
9915	Isotope_Atom_Count	0
13610389	Non-hydrogen_Atom_Count	7
65327	TPSA	15.3
35949	Undefined_Bond_Stereo_Count	0
4517	Undefined_Bond_Stereo_Count	0
31280	Defined_Atom_Stereo_Count	0
5284623	XLogP3	1.2
89353	Total_Formal_Charge	0
91456	Covalent_Unit_Count	1
14022497	Undefined_Atom_Stereo_Count	0
123161	Defined_Bond_Stereo_Count	0
59277826	Defined_Bond_Stereo_Count	0
5635	Structure_Complexity	578
105426931	Defined_Bond_Stereo_Count	0
59015	XLogP3	1.3
3082052	Defined_Bond_Stereo_Count	0
53317992	Defined_Atom_Stereo_Count	0
12262506	Exact_Mass	195.125928785
10038849	Rotatable_Bond_Count	2
5319422	Hydrogen_Bond_Donor_Count	2
9823224	Non-hydrogen_Atom_Count	30
21217830	Isotope_Atom_Count	0
46324	Hydrogen_Bond_Donor_Count	1
129012200	Total_Formal_Charge	0
44123754	Exact_Mass	468.11987140
54548956	Undefined_Atom_Stereo_Count	0
8001	Hydrogen_Bond_Acceptor_Count	0
2774693	TPSA	58.2
92389	Covalent_Unit_Count	1
126977538	Mono_Isotopic_Weight	112.052429494
2734940	Hydrogen_Bond_Acceptor_Count	0
87310	Tautomer_Count	1
41448	Mono_Isotopic_Weight	268.07355886
9874248	Covalent_Unit_Count	1
133952	Hydrogen_Bond_Acceptor_Count	7
34154	XLogP3-AA	2.4
424353	Rotatable_Bond_Count	6
6429278	Non-hydrogen_Atom_Count	8
3773593	Structure_Complexity	390
151177	Exact_Mass	404.25627424
643681	Hydrogen_Bond_Donor_Count	0
5284472	Covalent_Unit_Count	3
91563	Undefined_Atom_Stereo_Count	0
53689385	Hydrogen_Bond_Acceptor_Count	4
11309	Rotatable_Bond_Count	0
21501	Tautomer_Count	2
12233	Rotatable_Bond_Count	2
71517531	XLogP3-AA	3.1
10220851	Non-hydrogen_Atom_Count	18
8101	Undefined_Bond_Stereo_Count	0
21934982	Mono_Isotopic_Weight	141.115364102
13352438	Hydrogen_Bond_Acceptor_Count	2
155259577	Hydrogen_Bond_Acceptor_Count	12
12657448	Undefined_Atom_Stereo_Count	0
55255930	Defined_Atom_Stereo_Count	0
45052197	Defined_Atom_Stereo_Count	0
41214	Non-hydrogen_Atom_Count	23
82234717	Hydrogen_Bond_Acceptor_Count	2
98790	Non-hydrogen_Atom_Count	14
13760528	Total_Formal_Charge	0
135403802	Undefined_Atom_Stereo_Count	1
3734343	TPSA	90.7
3613359	Undefined_Bond_Stereo_Count	0
170813	Molecular_Weight	190.28
123458	TPSA	35.2
208880	XLogP3-AA	0.5
67437	Non-hydrogen_Atom_Count	11
3853312	Defined_Atom_Stereo_Count	0
98626	Hydrogen_Bond_Donor_Count	1
17517	Isotope_Atom_Count	0
13618905	Covalent_Unit_Count	1
55445	Molecular_Weight	219.32
95400	Mono_Isotopic_Weight	186.161979940
11988953	Structure_Complexity	514
2758875	Non-hydrogen_Atom_Count	8
3314	XLogP3	2
57656657	Undefined_Bond_Stereo_Count	0
54007	Undefined_Atom_Stereo_Count	0
74546980	Mono_Isotopic_Weight	415.14563651
83812	Hydrogen_Bond_Donor_Count	0
7163	Covalent_Unit_Count	1
99057	TPSA	79.2
69251	Structure_Complexity	136
87962	Molecular_Weight	205.30
69814	Molecular_Weight	86.13
12905096	Defined_Bond_Stereo_Count	0
9804992	Non-hydrogen_Atom_Count	31
137644	Defined_Atom_Stereo_Count	0
3014138	Tautomer_Count	14
101289807	Defined_Bond_Stereo_Count	0
72157	TPSA	88.7
533909	Tautomer_Count	1
28951063	Exact_Mass	111.032028402
145937	Non-hydrogen_Atom_Count	27
141080616	Defined_Atom_Stereo_Count	0
358996	TPSA	46.3
170049	Molecular_Weight	182.15
338812	Exact_Mass	112.052429494
71740	Non-hydrogen_Atom_Count	26
603026	Isotope_Atom_Count	0
78858	Isotope_Atom_Count	0
10866664	Molecular_Weight	164.16
606990	Defined_Atom_Stereo_Count	0
28949979	Rotatable_Bond_Count	1
137699188	TPSA	726
9794485	Structure_Complexity	193
88906574	Undefined_Atom_Stereo_Count	0
44563145	Mono_Isotopic_Weight	382.19173754
21226398	Non-hydrogen_Atom_Count	7
53903478	Structure_Complexity	281
118797621	Total_Formal_Charge	0
73353578	Mono_Isotopic_Weight	410.0945816
91501507	Isotope_Atom_Count	0
36324	Exact_Mass	293.189197746
5282165	Structure_Complexity	1390
11890	Mono_Isotopic_Weight	181.03750770
21226398	Rotatable_Bond_Count	0
7978	Hydrogen_Bond_Donor_Count	1
7978	Exact_Mass	95.048347172
398737	Rotatable_Bond_Count	8
2838	Mono_Isotopic_Weight	607.37336968
446576	Exact_Mass	193.0519578
11829369	Hydrogen_Bond_Donor_Count	0
994871	TPSA	99.2
124081056	Undefined_Bond_Stereo_Count	0
6927	Defined_Atom_Stereo_Count	0
62234773	Total_Formal_Charge	0
11858	Undefined_Bond_Stereo_Count	0
23204	Molecular_Weight	204.35
53323739	Undefined_Bond_Stereo_Count	0
134820051	XLogP3-AA	2.5
8878	Total_Formal_Charge	0
14313438	Covalent_Unit_Count	1
5311077	Isotope_Atom_Count	0
403805	Hydrogen_Bond_Donor_Count	8
6917874	Structure_Complexity	1600
66587032	Mono_Isotopic_Weight	424.09431117
15723	Structure_Complexity	268
22174643	Structure_Complexity	57.1
20054848	Exact_Mass	707.37818028
119904	Hydrogen_Bond_Acceptor_Count	0
131255	Defined_Atom_Stereo_Count	0
17676	Hydrogen_Bond_Donor_Count	1
5462328	Exact_Mass	369.15762283
75923	Covalent_Unit_Count	1
57394836	Undefined_Bond_Stereo_Count	0
12463393	Hydrogen_Bond_Donor_Count	2
139075087	Undefined_Atom_Stereo_Count	0
66435	Total_Formal_Charge	0
83648	Hydrogen_Bond_Acceptor_Count	4
25007063	Non-hydrogen_Atom_Count	31
10465	Undefined_Atom_Stereo_Count	0
3195	Defined_Bond_Stereo_Count	0
46782362	Non-hydrogen_Atom_Count	30
10192685	Undefined_Bond_Stereo_Count	0
10077129	Defined_Bond_Stereo_Count	1
7011	Exact_Mass	163.099714038
6999868	Undefined_Bond_Stereo_Count	0
54540949	Total_Formal_Charge	0
594001	Defined_Atom_Stereo_Count	0
866430	Hydrogen_Bond_Acceptor_Count	4
66263	Non-hydrogen_Atom_Count	24
14140758	Total_Formal_Charge	0
3720	Molecular_Weight	810.7
122073	Hydrogen_Bond_Acceptor_Count	9
688938	Defined_Atom_Stereo_Count	0
3686723	XLogP3-AA	3.9
24401	Mono_Isotopic_Weight	118.917702
25272022	Non-hydrogen_Atom_Count	23
1674	XLogP3	6.4
6995749	Structure_Complexity	96.7
12040509	Structure_Complexity	533
118994155	Mono_Isotopic_Weight	109.052763847
54685141	Total_Formal_Charge	0
79612800	XLogP3-AA	0.7
20660672	Covalent_Unit_Count	1
6606	Non-hydrogen_Atom_Count	31
32800	Hydrogen_Bond_Donor_Count	13
96066	Covalent_Unit_Count	1
11315	Undefined_Atom_Stereo_Count	0
9201	Defined_Atom_Stereo_Count	0
562634	TPSA	45.8
66448	Isotope_Atom_Count	0
59473233	Defined_Bond_Stereo_Count	0
18783247	XLogP3-AA	0
562720	Rotatable_Bond_Count	3
219099	Mono_Isotopic_Weight	448.0891379
155346	Isotope_Atom_Count	0
3158	Total_Formal_Charge	0
10560336	Covalent_Unit_Count	1
13979010	Undefined_Bond_Stereo_Count	0
38853	Undefined_Atom_Stereo_Count	0
676166	Undefined_Bond_Stereo_Count	0
12467556	Hydrogen_Bond_Acceptor_Count	3
4811	XLogP3	0.7
9639	Molecular_Weight	338.04
10534635	Undefined_Bond_Stereo_Count	0
61136	Mono_Isotopic_Weight	88.100048391
84979	Mono_Isotopic_Weight	126.90308
5748846	Molecular_Weight	523.6
5684	Hydrogen_Bond_Acceptor_Count	5
59295946	Hydrogen_Bond_Donor_Count	5
54725318	Hydrogen_Bond_Acceptor_Count	7
445382	Non-hydrogen_Atom_Count	15
58265166	Hydrogen_Bond_Acceptor_Count	6
33710	XLogP3-AA	15.771
99748	Defined_Atom_Stereo_Count	0
2303	Undefined_Atom_Stereo_Count	1
92135969	Molecular_Weight	555.7
6953	Rotatable_Bond_Count	0
59296114	TPSA	79.1
18710045	XLogP3-AA	1.4
70687305	Exact_Mass	402.29813906
12664537	Total_Formal_Charge	0
152643	Rotatable_Bond_Count	4
150311	XLogP3-AA	4
119	Isotope_Atom_Count	0
62856	Undefined_Bond_Stereo_Count	0
51668574	Mono_Isotopic_Weight	465.18212350
24751	Non-hydrogen_Atom_Count	7
25015412	Hydrogen_Bond_Acceptor_Count	9
3959	XLogP3-AA	6.1
83814964	Structure_Complexity	88.4
119086019	Undefined_Atom_Stereo_Count	0
53326857	Hydrogen_Bond_Donor_Count	1
56661920	Exact_Mass	471.21580641
60359	Mono_Isotopic_Weight	449.19844227
15789248	Exact_Mass	100.00951931
42539	XLogP3-AA	6
14200855	Covalent_Unit_Count	1
18405	Rotatable_Bond_Count	10
9429	Defined_Atom_Stereo_Count	0
17751002	Exact_Mass	164.06847348
11106352	Hydrogen_Bond_Donor_Count	0
54592009	TPSA	63.7
18062	Molecular_Weight	194.27
12383661	Defined_Atom_Stereo_Count	0
6066	Non-hydrogen_Atom_Count	24
123854	Molecular_Weight	528.5
5718	Structure_Complexity	327
76189844	XLogP3-AA	2.6
13258	Structure_Complexity	220
60613	Covalent_Unit_Count	1
126514322	Non-hydrogen_Atom_Count	7
53867	Defined_Bond_Stereo_Count	0
599202	Hydrogen_Bond_Donor_Count	0
573592	Mono_Isotopic_Weight	110.048012819
703128	Mono_Isotopic_Weight	287.15214353
10394740	Structure_Complexity	1150
80145	TPSA	18.5
12688	Covalent_Unit_Count	1
148177	Hydrogen_Bond_Donor_Count	0
124085867	Undefined_Atom_Stereo_Count	0
71661882	Molecular_Weight	605.1
9915861	Undefined_Bond_Stereo_Count	0
9801640	Rotatable_Bond_Count	6
141248885	Defined_Atom_Stereo_Count	0
23545756	Undefined_Atom_Stereo_Count	1
12444627	XLogP3-AA	8.1
10482134	Undefined_Atom_Stereo_Count	0
136791	Total_Formal_Charge	0
20793292	Molecular_Weight	112.17
57990869	Hydrogen_Bond_Acceptor_Count	7
444025	Undefined_Atom_Stereo_Count	0
12888377	Mono_Isotopic_Weight	109.063997236
15313	Isotope_Atom_Count	0
117768413	Structure_Complexity	151
29228	Non-hydrogen_Atom_Count	12
153684851	Undefined_Atom_Stereo_Count	1
9821	Total_Formal_Charge	0
57149850	Defined_Atom_Stereo_Count	0
410467	TPSA	32.3
36082	Defined_Atom_Stereo_Count	0
53701761	Hydrogen_Bond_Acceptor_Count	2
20472522	Undefined_Atom_Stereo_Count	2
36303	Structure_Complexity	448
24756910	Covalent_Unit_Count	1
11953	Defined_Bond_Stereo_Count	0
36218	Isotope_Atom_Count	0
12484	Hydrogen_Bond_Donor_Count	2
102286157	Structure_Complexity	333
10022229	Molecular_Weight	373.4
12931852	Isotope_Atom_Count	0
14437479	Rotatable_Bond_Count	3
11636	Total_Formal_Charge	0
59899303	TPSA	36
162918	Rotatable_Bond_Count	2
135900090	Exact_Mass	822.40512330
11233	Exact_Mass	114.140850574
193433	Hydrogen_Bond_Acceptor_Count	6
32503	Defined_Atom_Stereo_Count	0
5281801	Hydrogen_Bond_Donor_Count	4
12623599	Structure_Complexity	84.2
20373272	Structure_Complexity	371
12200728	Hydrogen_Bond_Acceptor_Count	1
60209141	Isotope_Atom_Count	0
84921	Undefined_Atom_Stereo_Count	0
167724	Covalent_Unit_Count	1
33013	Rotatable_Bond_Count	5
91022475	Non-hydrogen_Atom_Count	8
101894327	Exact_Mass	324.17254462
21391554	Undefined_Atom_Stereo_Count	0
66270	Covalent_Unit_Count	1
4963	Exact_Mass	356.13406837
989	Undefined_Bond_Stereo_Count	0
15178986	Total_Formal_Charge	0
67533	TPSA	6.5
45255840	Rotatable_Bond_Count	4
7695	Total_Formal_Charge	0
227996	Rotatable_Bond_Count	2
54557	Covalent_Unit_Count	1
6327054	Total_Formal_Charge	0
130026605	Molecular_Weight	94.11
3533588	Defined_Bond_Stereo_Count	0
87505	Defined_Bond_Stereo_Count	0
14309	Non-hydrogen_Atom_Count	11
23235	Tautomer_Count	1
5281243	Structure_Complexity	1270
57038995	Exact_Mass	96.057514874
181674	Covalent_Unit_Count	1
5284556	Isotope_Atom_Count	0
905275	Defined_Atom_Stereo_Count	0
67511	Covalent_Unit_Count	1
14367004	Non-hydrogen_Atom_Count	19
177084	XLogP3-AA	2.1
10702	Isotope_Atom_Count	0
451417	Molecular_Weight	679.8
102601177	Undefined_Bond_Stereo_Count	0
21723	Rotatable_Bond_Count	14
13619721	Undefined_Atom_Stereo_Count	0
11350701	Undefined_Bond_Stereo_Count	0
129822315	Mono_Isotopic_Weight	203.983424
11083833	Structure_Complexity	102
16052007	Hydrogen_Bond_Acceptor_Count	7
12367600	Isotope_Atom_Count	0
24946103	Hydrogen_Bond_Acceptor_Count	6
4714721	Total_Formal_Charge	0
59421472	TPSA	51.8
12828792	Undefined_Bond_Stereo_Count	0
138005	Mono_Isotopic_Weight	228.078644241
779	Molecular_Weight	119.12
8549	Defined_Atom_Stereo_Count	3
5062223	Undefined_Bond_Stereo_Count	0
15561851	Rotatable_Bond_Count	0
44280082	Undefined_Bond_Stereo_Count	0
53395198	Undefined_Bond_Stereo_Count	1
11446863	Molecular_Weight	194.13
83091	Hydrogen_Bond_Donor_Count	0
10069991	Mono_Isotopic_Weight	407.0746777
199614	Total_Formal_Charge	0
71433782	Covalent_Unit_Count	1
71511839	Defined_Atom_Stereo_Count	8
3038517	Defined_Atom_Stereo_Count	0
59050045	Total_Formal_Charge	0
54158791	Hydrogen_Bond_Acceptor_Count	2
644109	Undefined_Atom_Stereo_Count	0
55624	Defined_Atom_Stereo_Count	0
16158473	Defined_Bond_Stereo_Count	0
317678	Exact_Mass	100.088815002
9807600	Structure_Complexity	694
96135	Defined_Bond_Stereo_Count	0
44224257	Non-hydrogen_Atom_Count	29
20105	Defined_Bond_Stereo_Count	0
101598717	Covalent_Unit_Count	1
697993	TPSA	69.4
253602	Mono_Isotopic_Weight	265.13140809
398661	Hydrogen_Bond_Donor_Count	1
176158	Molecular_Weight	371.2
90019869	Isotope_Atom_Count	0
506605	Undefined_Bond_Stereo_Count	0
54582797	Defined_Atom_Stereo_Count	0
412781	Undefined_Bond_Stereo_Count	0
88035683	TPSA	44.6
5906	Isotope_Atom_Count	0
909	TPSA	113
36688118	Undefined_Atom_Stereo_Count	0
45806	Structure_Complexity	259
2216	Structure_Complexity	247
11596983	Exact_Mass	422.21066147
7301	Hydrogen_Bond_Donor_Count	0
11358	Hydrogen_Bond_Acceptor_Count	1
2719	Total_Formal_Charge	0
16134410	Mono_Isotopic_Weight	1814.6085580
9865528	Tautomer_Count	6
132999	Defined_Bond_Stereo_Count	0
32414	Structure_Complexity	253
7259	Isotope_Atom_Count	0
456189	Mono_Isotopic_Weight	381.17606686
118856278	Undefined_Atom_Stereo_Count	0
18622347	Isotope_Atom_Count	0
6857497	Rotatable_Bond_Count	0
60196309	Hydrogen_Bond_Donor_Count	11
6917663	Structure_Complexity	268
44946	Defined_Bond_Stereo_Count	0
6371	Exact_Mass	97.9326200
5481173	Hydrogen_Bond_Donor_Count	3
54239709	Isotope_Atom_Count	0
93290	Hydrogen_Bond_Acceptor_Count	0
20665999	Covalent_Unit_Count	1
20836217	Defined_Bond_Stereo_Count	2
143075695	Isotope_Atom_Count	0
70545463	Molecular_Weight	95.14
2771871	Defined_Atom_Stereo_Count	0
3781	XLogP3-AA	3.5
5311092	Undefined_Bond_Stereo_Count	0
5460504	Undefined_Bond_Stereo_Count	0
5460294	Mono_Isotopic_Weight	132.02968267
59952	TPSA	29.1
119098876	Exact_Mass	1120.19982200
11539562	Undefined_Atom_Stereo_Count	0
136892	Covalent_Unit_Count	1
74030550	Undefined_Atom_Stereo_Count	40
33287	Molecular_Weight	126.22
11315250	Covalent_Unit_Count	1
73665	Molecular_Weight	376.7
141251795	Structure_Complexity	162
44195571	Hydrogen_Bond_Acceptor_Count	10
57394197	Exact_Mass	494.21403277
20072023	Total_Formal_Charge	0
3653077	Undefined_Atom_Stereo_Count	1
447199	TPSA	150
985126	Mono_Isotopic_Weight	463.9822900
12015095	Molecular_Weight	111.15
44123456	Defined_Bond_Stereo_Count	0
21483017	Undefined_Bond_Stereo_Count	0
42153	Non-hydrogen_Atom_Count	16
498156	Undefined_Bond_Stereo_Count	0
5361309	Exact_Mass	434.16647101
477	Undefined_Atom_Stereo_Count	4
4412	Molecular_Weight	743.4
16132350	Isotope_Atom_Count	0
58783001	Mono_Isotopic_Weight	85.052763847
73481	Defined_Atom_Stereo_Count	2
39327	Defined_Atom_Stereo_Count	0
23664980	Undefined_Bond_Stereo_Count	0
2723706	Structure_Complexity	173
618566	Molecular_Weight	430.2
26033	Non-hydrogen_Atom_Count	24
704481	Non-hydrogen_Atom_Count	24
10034060	Tautomer_Count	1001
5603	Molecular_Weight	115.22
68321900	Covalent_Unit_Count	1
25001850	Isotope_Atom_Count	0
44318267	Defined_Bond_Stereo_Count	0
89027474	Structure_Complexity	101
252499	Rotatable_Bond_Count	2
10575614	Molecular_Weight	452.5
11029779	Non-hydrogen_Atom_Count	8
79441	Undefined_Bond_Stereo_Count	0
24848204	Total_Formal_Charge	1
25191022	Hydrogen_Bond_Acceptor_Count	10
208838	Covalent_Unit_Count	1
7455	Isotope_Atom_Count	0
87299033	Hydrogen_Bond_Donor_Count	3
160801313	Total_Formal_Charge	0
15560511	Undefined_Atom_Stereo_Count	1
98733	Total_Formal_Charge	0
10176084	Hydrogen_Bond_Donor_Count	1
108218	Rotatable_Bond_Count	5
13787747	Rotatable_Bond_Count	2
11567907	Isotope_Atom_Count	0
135424789	Hydrogen_Bond_Acceptor_Count	2
1093	Covalent_Unit_Count	1
3533	Undefined_Bond_Stereo_Count	0
54429687	Rotatable_Bond_Count	1
16564	XLogP3-AA	0.2
5365125	Defined_Atom_Stereo_Count	0
580057	Isotope_Atom_Count	0
61431	Isotope_Atom_Count	0
23663409	Molecular_Weight	374.16
57280823	Undefined_Bond_Stereo_Count	0
2799	Defined_Bond_Stereo_Count	0
5359853	TPSA	74.6
14512532	Structure_Complexity	52
439230	Covalent_Unit_Count	1
688371	Mono_Isotopic_Weight	241.09502258
7043	Hydrogen_Bond_Donor_Count	0
156414	Hydrogen_Bond_Donor_Count	2
25058197	Defined_Bond_Stereo_Count	0
11081093	Molecular_Weight	464.6
56600729	Exact_Mass	371.1149025
15599	Defined_Bond_Stereo_Count	0
21136198	TPSA	18.5
156618034	Exact_Mass	342.11621151
12546243	Undefined_Atom_Stereo_Count	0
18382	Hydrogen_Bond_Donor_Count	1
2968	Isotope_Atom_Count	0
20138	Covalent_Unit_Count	1
2723	XLogP3	2
72775170	Hydrogen_Bond_Acceptor_Count	2
2729	Defined_Bond_Stereo_Count	0
271553	Hydrogen_Bond_Acceptor_Count	0
13200773	Undefined_Bond_Stereo_Count	0
230976	Hydrogen_Bond_Acceptor_Count	5
1489495	Structure_Complexity	335
6837	Total_Formal_Charge	0
16683028	Tautomer_Count	1
12762443	Exact_Mass	111.079647300
6871	Defined_Bond_Stereo_Count	0
3780	Non-hydrogen_Atom_Count	16
65091	Structure_Complexity	823
13113546	TPSA	29.1
16058881	Molecular_Weight	341.76
12049	Covalent_Unit_Count	1
81764	Non-hydrogen_Atom_Count	19
164084939	Molecular_Weight	97.16
5282544	Total_Formal_Charge	0
31277	Undefined_Bond_Stereo_Count	0
1398	Isotope_Atom_Count	0
14865900	Hydrogen_Bond_Acceptor_Count	2
122130338	Total_Formal_Charge	0
4181	Defined_Atom_Stereo_Count	0
6519	Total_Formal_Charge	0
22169421	XLogP3-AA	6
115219	Covalent_Unit_Count	1
62592	Hydrogen_Bond_Donor_Count	0
13586	Mono_Isotopic_Weight	70.041864811
32838	Undefined_Bond_Stereo_Count	0
7157070	Structure_Complexity	88.9
17895808	Total_Formal_Charge	0
57029485	Structure_Complexity	57.2
78959	Defined_Atom_Stereo_Count	0
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10419	Isotope_Atom_Count	0
60121	Isotope_Atom_Count	0
12184	Hydrogen_Bond_Donor_Count	1
781234	Structure_Complexity	314
12677196	TPSA	9.2
21487318	Total_Formal_Charge	0
5311100	Total_Formal_Charge	0
24646	Total_Formal_Charge	0
6806	Isotope_Atom_Count	0
454647	Total_Formal_Charge	0
72725	Isotope_Atom_Count	0
2085	Total_Formal_Charge	0
25006687	Non-hydrogen_Atom_Count	29
88890027	Rotatable_Bond_Count	1
10389239	Tautomer_Count	7
21823	Defined_Atom_Stereo_Count	2
5282796	Undefined_Bond_Stereo_Count	0
7267	Exact_Mass	122.073164938
15306	Molecular_Weight	86.13
10251	Total_Formal_Charge	0
5281417	Exact_Mass	340.07943208
66684	Hydrogen_Bond_Acceptor_Count	6
124823816	TPSA	20.2
146570	Isotope_Atom_Count	0
153241	Non-hydrogen_Atom_Count	33
67614074	Mono_Isotopic_Weight	98.048012819
2734250	TPSA	74.4
117217480	Exact_Mass	114.042927438
93884	Structure_Complexity	270
102428	Hydrogen_Bond_Acceptor_Count	4
148191	Isotope_Atom_Count	0
45357585	Molecular_Weight	547.7
119095779	Undefined_Atom_Stereo_Count	0
135440277	Covalent_Unit_Count	1
135565106	Total_Formal_Charge	0
86295112	Structure_Complexity	618
644131	Covalent_Unit_Count	1
58689886	Defined_Bond_Stereo_Count	0
133688938	Defined_Bond_Stereo_Count	2
54600009	Covalent_Unit_Count	2
13975586	XLogP3	5.3
18527351	Non-hydrogen_Atom_Count	22
50993725	Exact_Mass	377.1279474
80507	Isotope_Atom_Count	0
76216	Defined_Atom_Stereo_Count	0
2754342	Rotatable_Bond_Count	7
68711	Defined_Atom_Stereo_Count	0
66647165	Covalent_Unit_Count	2
725300	Isotope_Atom_Count	0
137719	Rotatable_Bond_Count	2
7518	Mono_Isotopic_Weight	109.052763847
7197	Mono_Isotopic_Weight	164.083729621
10347891	Mono_Isotopic_Weight	564.16542563
20474	Defined_Bond_Stereo_Count	0
12823444	Hydrogen_Bond_Donor_Count	1
7794	Tautomer_Count	2
22049997	Isotope_Atom_Count	0
562720	TPSA	49.6
112680	Tautomer_Count	1
12041	Isotope_Atom_Count	0
53677316	Defined_Bond_Stereo_Count	0
132306	Defined_Bond_Stereo_Count	0
7411	Rotatable_Bond_Count	1
12116847	Hydrogen_Bond_Acceptor_Count	4
78610	Defined_Bond_Stereo_Count	0
11650986	Mono_Isotopic_Weight	1007.56062088
53315431	Exact_Mass	407.931878
44330586	Isotope_Atom_Count	0
3984	Tautomer_Count	1
706285	Defined_Atom_Stereo_Count	0
51375035	Undefined_Atom_Stereo_Count	0
24386	Defined_Atom_Stereo_Count	0
68741	Mono_Isotopic_Weight	399.27734404
13804280	Defined_Bond_Stereo_Count	0
1884	Non-hydrogen_Atom_Count	15
24752885	Hydrogen_Bond_Donor_Count	1
139449	Molecular_Weight	94.15
135400456	Non-hydrogen_Atom_Count	17
442474	Tautomer_Count	1
167195	Tautomer_Count	1
15671	Structure_Complexity	662
53944814	Defined_Atom_Stereo_Count	0
11400741	Defined_Atom_Stereo_Count	0
124201618	Mono_Isotopic_Weight	690.32985036
86582	Molecular_Weight	188.31
123894108	TPSA	38.6
12052005	Covalent_Unit_Count	1
66414	TPSA	49.7
101497	Undefined_Bond_Stereo_Count	0
7890	Hydrogen_Bond_Acceptor_Count	0
7249	Hydrogen_Bond_Acceptor_Count	1
59850618	Hydrogen_Bond_Acceptor_Count	0
123611214	Isotope_Atom_Count	0
12950121	Rotatable_Bond_Count	1
3385	Total_Formal_Charge	0
5282948	Hydrogen_Bond_Donor_Count	2
54401118	Defined_Atom_Stereo_Count	0
53778	Exact_Mass	365.1636826
6432746	Rotatable_Bond_Count	5
49170	TPSA	84.5
57159129	Total_Formal_Charge	0
14598502	TPSA	103
61931	Undefined_Bond_Stereo_Count	0
285897	Non-hydrogen_Atom_Count	14
17877642	Hydrogen_Bond_Acceptor_Count	1
5283736	Undefined_Atom_Stereo_Count	0
70273609	TPSA	0
104815	Undefined_Atom_Stereo_Count	0
23519825	Mono_Isotopic_Weight	381.0484802
83478540	Hydrogen_Bond_Acceptor_Count	2
145325785	Covalent_Unit_Count	1
70662473	Defined_Atom_Stereo_Count	1
11559	XLogP3-AA	0.6
13557	Undefined_Atom_Stereo_Count	0
12711096	Exact_Mass	110.084398327
709170	Rotatable_Bond_Count	4
54385745	Covalent_Unit_Count	1
26185	Non-hydrogen_Atom_Count	17
24916945	TPSA	137
89064108	Total_Formal_Charge	0
122903	Molecular_Weight	168.15
2981	Hydrogen_Bond_Acceptor_Count	2
529273	Undefined_Bond_Stereo_Count	0
11955	Hydrogen_Bond_Donor_Count	2
71117	Defined_Bond_Stereo_Count	0
102059952	Undefined_Atom_Stereo_Count	0
140409	Exact_Mass	92.026214747
80690	Molecular_Weight	349.9
139852	Rotatable_Bond_Count	2
91696	Total_Formal_Charge	0
3849989	Hydrogen_Bond_Acceptor_Count	2
5362118	Defined_Atom_Stereo_Count	3
11073371	Undefined_Bond_Stereo_Count	0
8567	Molecular_Weight	195.21
135408511	Mono_Isotopic_Weight	323.199762429
10096344	Defined_Bond_Stereo_Count	0
53621	Undefined_Atom_Stereo_Count	1
161154	TPSA	49.3
52946966	Defined_Bond_Stereo_Count	0
154496967	Structure_Complexity	382
70223	Defined_Atom_Stereo_Count	0
135764924	Defined_Bond_Stereo_Count	2
21162823	Hydrogen_Bond_Acceptor_Count	2
6711153	Exact_Mass	1201.84136802
57397810	Rotatable_Bond_Count	5
135398748	Undefined_Bond_Stereo_Count	0
56606917	XLogP3-AA	1.9
5107	Defined_Atom_Stereo_Count	0
71225	Undefined_Atom_Stereo_Count	1
9603	Isotope_Atom_Count	0
67309631	Mono_Isotopic_Weight	114.068079557
70309	Non-hydrogen_Atom_Count	12
118978207	Molecular_Weight	112.17
4526530	Total_Formal_Charge	0
10603	Defined_Atom_Stereo_Count	0
18757800	Defined_Bond_Stereo_Count	0
42580058	Exact_Mass	342.11621151
62514	Defined_Atom_Stereo_Count	0
48279	Defined_Bond_Stereo_Count	0
2381	Total_Formal_Charge	0
7860	Isotope_Atom_Count	0
6365	Mono_Isotopic_Weight	97.9690055
19022	Defined_Atom_Stereo_Count	0
54582799	Defined_Atom_Stereo_Count	0
5357696	Molecular_Weight	85.468
104748	Covalent_Unit_Count	1
644213	Total_Formal_Charge	0
11412	Total_Formal_Charge	0
213013	Total_Formal_Charge	0
9839519	XLogP3-AA	4.2
9865528	Undefined_Bond_Stereo_Count	0
62871	Isotope_Atom_Count	0
9867061	Defined_Bond_Stereo_Count	0
10461263	Rotatable_Bond_Count	13
54555	Mono_Isotopic_Weight	305.141578849
5352062	Hydrogen_Bond_Donor_Count	4
19648	Undefined_Atom_Stereo_Count	0
51906	Mono_Isotopic_Weight	223.12084340
85859507	Defined_Bond_Stereo_Count	0
9351	TPSA	63.8
23131983	Isotope_Atom_Count	0
447700	Hydrogen_Bond_Acceptor_Count	5
49865919	XLogP3-AA	3.6
14743344	Undefined_Atom_Stereo_Count	0
18712663	Hydrogen_Bond_Donor_Count	1
2898877	Rotatable_Bond_Count	4
442348	Structure_Complexity	323
15109863	Total_Formal_Charge	0
117721	Hydrogen_Bond_Donor_Count	0
185620	Structure_Complexity	271
9920369	Mono_Isotopic_Weight	97.052763847
14090	Defined_Atom_Stereo_Count	0
945090	Rotatable_Bond_Count	4
138921	Isotope_Atom_Count	0
3032600	TPSA	131
135391165	Defined_Bond_Stereo_Count	1
49867936	TPSA	168
155882889	Hydrogen_Bond_Donor_Count	0
102146	Exact_Mass	316.240230259
123769339	Hydrogen_Bond_Donor_Count	1
58387740	Rotatable_Bond_Count	3
11345	Undefined_Bond_Stereo_Count	0
44310707	Isotope_Atom_Count	0
12414299	Total_Formal_Charge	0
3735	XLogP3-AA	3.9
11534864	Defined_Bond_Stereo_Count	1
18730046	Exact_Mass	98.109550447
50376	XLogP3-AA	4
18759351	Undefined_Bond_Stereo_Count	0
4045	Isotope_Atom_Count	0
147614	XLogP3-AA	1.9
14968895	Non-hydrogen_Atom_Count	8
63252	TPSA	82.4
3507056	Hydrogen_Bond_Donor_Count	0
133371	Defined_Atom_Stereo_Count	1
224004	Total_Formal_Charge	0
65977	Mono_Isotopic_Weight	216.11100700
9886086	Covalent_Unit_Count	1
10855428	Isotope_Atom_Count	0
168871	Total_Formal_Charge	0
15020	Undefined_Atom_Stereo_Count	0
86384	Undefined_Atom_Stereo_Count	0
6710780	Total_Formal_Charge	0
89149682	Isotope_Atom_Count	0
27330	Defined_Bond_Stereo_Count	0
6989253	Total_Formal_Charge	0
53859	XLogP3-AA	3.4
138113415	Hydrogen_Bond_Acceptor_Count	12
8655	Undefined_Bond_Stereo_Count	0
11647276	Covalent_Unit_Count	1
16211286	Defined_Bond_Stereo_Count	0
123959	Mono_Isotopic_Weight	949.49494136
94294	Exact_Mass	157.0425048
5464110	Defined_Bond_Stereo_Count	0
12219458	TPSA	26
94508	Mono_Isotopic_Weight	180.06472551
61306	Defined_Bond_Stereo_Count	0
18711504	Rotatable_Bond_Count	0
1201546	Mono_Isotopic_Weight	132.96560607
72196	Undefined_Bond_Stereo_Count	0
441236	Isotope_Atom_Count	0
135659030	Total_Formal_Charge	0
10290764	Molecular_Weight	112.13
5357402	Structure_Complexity	202
17745	Total_Formal_Charge	0
24199313	Undefined_Atom_Stereo_Count	5
11527	Hydrogen_Bond_Donor_Count	1
131295062	Non-hydrogen_Atom_Count	7
15983810	Hydrogen_Bond_Acceptor_Count	8
21158442	Covalent_Unit_Count	1
136870	Hydrogen_Bond_Acceptor_Count	0
25271810	Undefined_Atom_Stereo_Count	0
6763	Exact_Mass	208.052429494
1550874	Non-hydrogen_Atom_Count	14
2132	Mono_Isotopic_Weight	375.97859
202225	Defined_Bond_Stereo_Count	0
5702141	Undefined_Atom_Stereo_Count	1
24470	Exact_Mass	168.89291
15179723	Molecular_Weight	102.14
86146	Hydrogen_Bond_Acceptor_Count	3
11136922	Undefined_Atom_Stereo_Count	1
90055716	XLogP3-AA	1.2
20491	XLogP3	0.5
3151	TPSA	67.9
12888377	Structure_Complexity	83.7
151090	TPSA	43.8
42790	Total_Formal_Charge	0
123292394	Hydrogen_Bond_Donor_Count	1
20349001	Rotatable_Bond_Count	4
3456	Hydrogen_Bond_Acceptor_Count	3
14951968	Non-hydrogen_Atom_Count	8
70696864	Undefined_Bond_Stereo_Count	0
88875	Isotope_Atom_Count	0
11496886	Hydrogen_Bond_Donor_Count	3
87748	Exact_Mass	197.9751535
110788	Covalent_Unit_Count	1
12604	Undefined_Atom_Stereo_Count	0
14946164	Total_Formal_Charge	0
14454	Structure_Complexity	48.1
31389	Molecular_Weight	225.16
135564864	Hydrogen_Bond_Donor_Count	15
61109	Isotope_Atom_Count	0
6364	Defined_Bond_Stereo_Count	0
10986185	Exact_Mass	113.084063974
23565	Non-hydrogen_Atom_Count	27
21864560	Structure_Complexity	1930
68162	TPSA	18.5
160138	Exact_Mass	196.146329876
68402550	TPSA	38
18922	Rotatable_Bond_Count	0
53316385	Mono_Isotopic_Weight	603.1691619
574037	TPSA	29.1
3833001	Structure_Complexity	240
44126083	Rotatable_Bond_Count	5
5057599	Undefined_Bond_Stereo_Count	0
56666742	Hydrogen_Bond_Acceptor_Count	8
10329304	Exact_Mass	125.872641
16772299	Defined_Atom_Stereo_Count	0
54502555	Defined_Atom_Stereo_Count	0
11488817	TPSA	87.8
152204	Molecular_Weight	161.16
8388	Hydrogen_Bond_Acceptor_Count	3
263608	Molecular_Weight	161.20
809622	Isotope_Atom_Count	0
10095659	Structure_Complexity	575
118177912	XLogP3-AA	1.4
681110	Isotope_Atom_Count	0
9868580	Tautomer_Count	2
135398731	Molecular_Weight	521.21
2762919	Defined_Bond_Stereo_Count	0
159977	TPSA	44.7
5059	Tautomer_Count	1
23666110	Mono_Isotopic_Weight	672.7720
5742590	Total_Formal_Charge	0
5280373	TPSA	76
131740853	Hydrogen_Bond_Donor_Count	3
216324	Mono_Isotopic_Weight	371.00508323
123791702	Covalent_Unit_Count	1
16678600	Non-hydrogen_Atom_Count	29
83151608	Undefined_Bond_Stereo_Count	0
5282944	Defined_Atom_Stereo_Count	0
93171	Hydrogen_Bond_Acceptor_Count	0
57052261	Defined_Bond_Stereo_Count	0
53670643	Defined_Bond_Stereo_Count	0
49865784	Structure_Complexity	451
4126474	Defined_Atom_Stereo_Count	0
45380791	Hydrogen_Bond_Acceptor_Count	7
14066	Undefined_Atom_Stereo_Count	0
19540	TPSA	0
11095291	Tautomer_Count	1
139080230	Hydrogen_Bond_Acceptor_Count	9
11182588	Rotatable_Bond_Count	0
75903	Covalent_Unit_Count	1
3034023	Non-hydrogen_Atom_Count	23
64049	Rotatable_Bond_Count	1
123979	Molecular_Weight	240.25
135409474	Structure_Complexity	578
93500	Hydrogen_Bond_Donor_Count	0
63979	Hydrogen_Bond_Acceptor_Count	5
4917	TPSA	35
23668002	Isotope_Atom_Count	0
6603542	Non-hydrogen_Atom_Count	22
75640	Defined_Atom_Stereo_Count	0
131634493	Undefined_Atom_Stereo_Count	0
23667657	Hydrogen_Bond_Donor_Count	0
60653	Undefined_Atom_Stereo_Count	1
134688930	Rotatable_Bond_Count	1
5376	Mono_Isotopic_Weight	371.224914549
546717	Non-hydrogen_Atom_Count	13
86115	Structure_Complexity	310
45120354	Non-hydrogen_Atom_Count	8
17757212	Rotatable_Bond_Count	10
44571915	Exact_Mass	433.0804889
4141306	Structure_Complexity	381
19998	Structure_Complexity	225
12882493	Isotope_Atom_Count	0
22754629	Non-hydrogen_Atom_Count	8
10778228	Hydrogen_Bond_Donor_Count	3
124602261	Covalent_Unit_Count	1
50094	TPSA	0
49865963	Defined_Bond_Stereo_Count	0
25355	Hydrogen_Bond_Donor_Count	0
29199	Hydrogen_Bond_Donor_Count	2
123804812	TPSA	0
93563	TPSA	17.1
135456161	Undefined_Bond_Stereo_Count	0
92425	Hydrogen_Bond_Acceptor_Count	5
72141	Non-hydrogen_Atom_Count	19
16217605	Defined_Atom_Stereo_Count	9
131673845	Undefined_Bond_Stereo_Count	0
57396625	Total_Formal_Charge	0
53315137	Hydrogen_Bond_Acceptor_Count	8
2998	Mono_Isotopic_Weight	293.19909372
20774103	Defined_Atom_Stereo_Count	0
22676885	Non-hydrogen_Atom_Count	8
76507	Hydrogen_Bond_Donor_Count	1
500	Defined_Atom_Stereo_Count	0
12295391	Non-hydrogen_Atom_Count	8
42395	Exact_Mass	446.26683893
16072155	Structure_Complexity	904
57384039	Isotope_Atom_Count	0
11589590	XLogP3-AA	5.9
71391652	Defined_Atom_Stereo_Count	0
76038	Mono_Isotopic_Weight	394.40354761
23506294	Undefined_Atom_Stereo_Count	1
3081743	Total_Formal_Charge	0
11471380	Undefined_Atom_Stereo_Count	0
47703	Structure_Complexity	264
24472	Tautomer_Count	1
548851	Undefined_Atom_Stereo_Count	0
57515	Hydrogen_Bond_Donor_Count	2
22166430	Undefined_Atom_Stereo_Count	0
9993573	Exact_Mass	276.02700259
1808	Undefined_Bond_Stereo_Count	0
25654	Exact_Mass	389.16991885
42608159	Rotatable_Bond_Count	1
5367692	TPSA	26.3
92132419	Rotatable_Bond_Count	4
22327921	Hydrogen_Bond_Acceptor_Count	2
115071571	TPSA	37.3
136081	Tautomer_Count	1
30997	Total_Formal_Charge	0
7758	Defined_Atom_Stereo_Count	0
13023573	Non-hydrogen_Atom_Count	9
480953	Isotope_Atom_Count	0
6937	Mono_Isotopic_Weight	164.120115130
529264	Covalent_Unit_Count	1
81325	Non-hydrogen_Atom_Count	12
12210512	Hydrogen_Bond_Donor_Count	0
18622372	Hydrogen_Bond_Donor_Count	0
70002683	Non-hydrogen_Atom_Count	7
83960	Hydrogen_Bond_Acceptor_Count	11
1271	Undefined_Atom_Stereo_Count	3
42993	Undefined_Bond_Stereo_Count	0
140710	Undefined_Atom_Stereo_Count	2
54037464	Molecular_Weight	114.10
6145931	Hydrogen_Bond_Acceptor_Count	5
62775	Hydrogen_Bond_Donor_Count	0
451189	Rotatable_Bond_Count	1
58407	Isotope_Atom_Count	0
73433	Structure_Complexity	148
3208	Undefined_Bond_Stereo_Count	2
172285	TPSA	143
75879	Structure_Complexity	516
11000	Covalent_Unit_Count	1
23973	Defined_Bond_Stereo_Count	0
52660	Total_Formal_Charge	0
10953443	Defined_Bond_Stereo_Count	0
12705072	Isotope_Atom_Count	0
3613359	Mono_Isotopic_Weight	72.081324323
171296	Hydrogen_Bond_Donor_Count	1
14184222	Total_Formal_Charge	0
47500	Isotope_Atom_Count	0
21979976	Total_Formal_Charge	0
96396	Rotatable_Bond_Count	2
57112474	Covalent_Unit_Count	1
7566942	Mono_Isotopic_Weight	342.11621151
99382	Undefined_Bond_Stereo_Count	0
9839581	Total_Formal_Charge	0
167807	Hydrogen_Bond_Acceptor_Count	4
6918188	Undefined_Atom_Stereo_Count	0
55290154	Total_Formal_Charge	0
2117	Tautomer_Count	1
10877967	Rotatable_Bond_Count	2
4369491	TPSA	82.2
10967532	Mono_Isotopic_Weight	269.06880783
39650	Total_Formal_Charge	0
208901	Non-hydrogen_Atom_Count	28
12835187	Undefined_Bond_Stereo_Count	0
11906	Undefined_Bond_Stereo_Count	0
181287	Mono_Isotopic_Weight	129.06122053
9539	Undefined_Atom_Stereo_Count	0
4486	Covalent_Unit_Count	1
101327128	TPSA	144
26690	Mono_Isotopic_Weight	199.193614421
68846936	Total_Formal_Charge	0
534204	Defined_Bond_Stereo_Count	0
11138428	Exact_Mass	212.214015512
138059757	Molecular_Weight	430.5
33254	Covalent_Unit_Count	3
25522	Non-hydrogen_Atom_Count	24
12018	Molecular_Weight	128.98
23663953	Rotatable_Bond_Count	8
123678537	Hydrogen_Bond_Donor_Count	0
60678	Total_Formal_Charge	0
14712340	Undefined_Bond_Stereo_Count	0
227456	Non-hydrogen_Atom_Count	42
42754	Covalent_Unit_Count	1
73233	Mono_Isotopic_Weight	188.01903862
25208	Undefined_Atom_Stereo_Count	2
4583824	Mono_Isotopic_Weight	185.060254526
46204458	Molecular_Weight	554.7
125183304	Hydrogen_Bond_Acceptor_Count	17
19928	Defined_Bond_Stereo_Count	0
1910825	Undefined_Atom_Stereo_Count	0
54325323	Molecular_Weight	294.26
2447	Total_Formal_Charge	0
42608159	Hydrogen_Bond_Acceptor_Count	0
85057	Molecular_Weight	452.4
15950085	Covalent_Unit_Count	1
15505	Mono_Isotopic_Weight	126.140850574
4997	Rotatable_Bond_Count	6
688154	Defined_Atom_Stereo_Count	2
161760	Defined_Bond_Stereo_Count	0
6794	Undefined_Bond_Stereo_Count	0
18712663	Covalent_Unit_Count	1
52943962	Defined_Bond_Stereo_Count	0
21568	Defined_Bond_Stereo_Count	0
12896	Molecular_Weight	242.23
555192	Undefined_Atom_Stereo_Count	0
45120310	Total_Formal_Charge	0
21021867	XLogP3-AA	3.4
8446	Defined_Bond_Stereo_Count	0
3033621	Hydrogen_Bond_Acceptor_Count	5
54761306	Covalent_Unit_Count	1
3651	Rotatable_Bond_Count	2
21093784	Undefined_Bond_Stereo_Count	0
40605	TPSA	163
1549004	Isotope_Atom_Count	0
23597592	Hydrogen_Bond_Acceptor_Count	2
71583494	Defined_Bond_Stereo_Count	0
11154711	TPSA	131
23283113	Undefined_Bond_Stereo_Count	0
23080868	Undefined_Bond_Stereo_Count	0
89982	Hydrogen_Bond_Donor_Count	2
21824034	Hydrogen_Bond_Acceptor_Count	2
18182	Covalent_Unit_Count	1
5399	Undefined_Atom_Stereo_Count	0
91499493	Hydrogen_Bond_Acceptor_Count	1
7073	Covalent_Unit_Count	1
4585667	Hydrogen_Bond_Donor_Count	2
6288	Defined_Atom_Stereo_Count	2
21996048	Covalent_Unit_Count	1
4369524	Non-hydrogen_Atom_Count	21
46132	Isotope_Atom_Count	0
49864506	XLogP3	2.4
239819	Defined_Bond_Stereo_Count	0
6321	Covalent_Unit_Count	1
135539121	Total_Formal_Charge	0
19113	Molecular_Weight	219.06
70685697	Defined_Bond_Stereo_Count	0
20325398	XLogP3-AA	0.5
18069	Defined_Bond_Stereo_Count	0
89292361	Hydrogen_Bond_Donor_Count	2
135430308	Defined_Atom_Stereo_Count	0
14868	TPSA	49.3
42602264	Hydrogen_Bond_Donor_Count	3
6354	Non-hydrogen_Atom_Count	3
21144838	Undefined_Atom_Stereo_Count	1
23983765	Structure_Complexity	191
69333614	Structure_Complexity	66.7
44563327	Hydrogen_Bond_Acceptor_Count	6
13224	Undefined_Bond_Stereo_Count	0
136796	Mono_Isotopic_Weight	130.078250319
30141	Molecular_Weight	285.21
517326	Tautomer_Count	1
44516953	Structure_Complexity	913
15889752	Undefined_Atom_Stereo_Count	2
76796454	Mono_Isotopic_Weight	112.088815002
14113	Defined_Atom_Stereo_Count	0
137332389	Undefined_Atom_Stereo_Count	14
71486	Tautomer_Count	1
71457147	Isotope_Atom_Count	0
69272932	Rotatable_Bond_Count	8
10378	Hydrogen_Bond_Donor_Count	2
46936190	Mono_Isotopic_Weight	342.11621151
2921148	Rotatable_Bond_Count	2
34319	Total_Formal_Charge	0
6419902	Covalent_Unit_Count	3
159982	Total_Formal_Charge	0
22078297	Hydrogen_Bond_Donor_Count	0
101525	Total_Formal_Charge	0
21872002	Undefined_Atom_Stereo_Count	0
22172	Undefined_Bond_Stereo_Count	0
55299744	XLogP3-AA	1
2779124	Exact_Mass	113.084063974
7395	Rotatable_Bond_Count	1
26956	Structure_Complexity	275
146158553	Non-hydrogen_Atom_Count	42
89061875	Defined_Bond_Stereo_Count	0
33255	Defined_Bond_Stereo_Count	0
5372174	Covalent_Unit_Count	1
107950	Hydrogen_Bond_Donor_Count	0
2921148	Isotope_Atom_Count	0
45359105	Molecular_Weight	306.37
13019052	Covalent_Unit_Count	1
96458	Defined_Bond_Stereo_Count	0
15655	Structure_Complexity	73.6
22563	Defined_Atom_Stereo_Count	0
48041	Rotatable_Bond_Count	6
5460326	Mono_Isotopic_Weight	205.03569700
71961	Hydrogen_Bond_Donor_Count	6
119085356	Undefined_Atom_Stereo_Count	0
23665763	Isotope_Atom_Count	0
154825180	Total_Formal_Charge	0
21894	Mono_Isotopic_Weight	136.027277375
136874	TPSA	29.1
134693234	XLogP3	3.6
16717	Structure_Complexity	149
95700	Defined_Bond_Stereo_Count	0
500460	Total_Formal_Charge	0
8037	Defined_Atom_Stereo_Count	0
134888032	Isotope_Atom_Count	0
16049162	Isotope_Atom_Count	0
68675439	Structure_Complexity	74.6
25271892	Undefined_Bond_Stereo_Count	0
58460047	Exact_Mass	425.0502514
33137	Covalent_Unit_Count	1
18794	Undefined_Atom_Stereo_Count	0
3082781	Rotatable_Bond_Count	3
164685	Hydrogen_Bond_Acceptor_Count	10
82734	Molecular_Weight	145.18
446915	Defined_Atom_Stereo_Count	0
15593	Isotope_Atom_Count	0
169371	TPSA	219
1219914	XLogP3-AA	3.5
11815293	TPSA	43.1
14671576	Hydrogen_Bond_Donor_Count	0
159199	Undefined_Atom_Stereo_Count	0
67691	Exact_Mass	122.053178385
103687	Defined_Atom_Stereo_Count	0
62173	XLogP3-AA	5.9
39941	Molecular_Weight	301.72
129851046	TPSA	37.3
398742	Rotatable_Bond_Count	0
6427991	Defined_Atom_Stereo_Count	0
131673820	Structure_Complexity	958
21953621	Hydrogen_Bond_Acceptor_Count	6
705472	Defined_Atom_Stereo_Count	0
39976	XLogP3-AA	4.6
3980	Structure_Complexity	1750
20279	Rotatable_Bond_Count	2
12962854	Isotope_Atom_Count	0
53884785	Mono_Isotopic_Weight	101.047678466
15533	Isotope_Atom_Count	0
8193	Hydrogen_Bond_Acceptor_Count	1
136649217	Exact_Mass	690.11624602
65996	Mono_Isotopic_Weight	330.267113712
7616	Molecular_Weight	143.27
130025208	Exact_Mass	106.041864811
138394128	Mono_Isotopic_Weight	624.171497
372978	Defined_Bond_Stereo_Count	0
2922	Covalent_Unit_Count	1
5355732	Total_Formal_Charge	0
11366953	Hydrogen_Bond_Acceptor_Count	0
19067998	Molecular_Weight	112.13
135431272	TPSA	67.5
6918295	Covalent_Unit_Count	1
10864881	Exact_Mass	114.068079557
12730529	Undefined_Atom_Stereo_Count	1
24393	Defined_Bond_Stereo_Count	0
4223	Rotatable_Bond_Count	7
19878	Undefined_Atom_Stereo_Count	0
5282439	Total_Formal_Charge	0
3082496	Mono_Isotopic_Weight	280.11715500
40428945	XLogP3	0.1
17310	XLogP3-AA	1.8
453307	Hydrogen_Bond_Acceptor_Count	4
781234	TPSA	48.9
27882	Hydrogen_Bond_Acceptor_Count	2
70523	Total_Formal_Charge	0
15402	Defined_Atom_Stereo_Count	0
136648	Covalent_Unit_Count	1
44134379	Molecular_Weight	364.9
12559	Rotatable_Bond_Count	23
3002335	Exact_Mass	511.18959167
20521791	Structure_Complexity	159
10379137	Exact_Mass	284.11609238
20228407	Rotatable_Bond_Count	1
145705672	Hydrogen_Bond_Donor_Count	4
83904773	Hydrogen_Bond_Acceptor_Count	1
77971	Rotatable_Bond_Count	2
41912	Defined_Bond_Stereo_Count	0
81827	Rotatable_Bond_Count	5
47552	XLogP3	0.5
135430795	Defined_Atom_Stereo_Count	2
139062656	Undefined_Bond_Stereo_Count	0
91805	Rotatable_Bond_Count	1
2762894	Non-hydrogen_Atom_Count	8
8800	Defined_Bond_Stereo_Count	0
25295	Defined_Bond_Stereo_Count	0
6477182	TPSA	74.2
73608879	Mono_Isotopic_Weight	120.90381
656823	Isotope_Atom_Count	0
71458868	Defined_Atom_Stereo_Count	0
83596	Non-hydrogen_Atom_Count	14
339079	Undefined_Atom_Stereo_Count	0
243	Molecular_Weight	122.12
22981451	Non-hydrogen_Atom_Count	8
11957713	Defined_Bond_Stereo_Count	1
452548	XLogP3	1.2
20591	Undefined_Bond_Stereo_Count	0
408714	XLogP3-AA	0.3
135408770	Tautomer_Count	10
533427	Isotope_Atom_Count	0
572565	Rotatable_Bond_Count	0
135613039	Covalent_Unit_Count	1
534283	Exact_Mass	98.073164938
21354291	Total_Formal_Charge	0
20264925	Exact_Mass	100.052429494
3700118	XLogP3-AA	2.2
5363685	Molecular_Weight	206.28
52291	Hydrogen_Bond_Acceptor_Count	1
10042953	Structure_Complexity	438
168924	Total_Formal_Charge	0
136059	Defined_Atom_Stereo_Count	0
5732	Molecular_Weight	307.4
7426	Rotatable_Bond_Count	0
11954369	Mono_Isotopic_Weight	394.19556569
26388	Hydrogen_Bond_Acceptor_Count	6
68938028	TPSA	53
354785	XLogP3	0.2
129	XLogP3-AA	1.3
70695665	Hydrogen_Bond_Acceptor_Count	3
159755	Rotatable_Bond_Count	3
13076	Mono_Isotopic_Weight	206.109550447
3033674	Hydrogen_Bond_Acceptor_Count	8
5881	Undefined_Atom_Stereo_Count	0
11500877	XLogP3-AA	3
68321915	Isotope_Atom_Count	0
41322	Structure_Complexity	507
613	Molecular_Weight	867.6
5463599	XLogP3-AA	3.5
254656	Defined_Bond_Stereo_Count	0
2952	Molecular_Weight	314.25
4516	Isotope_Atom_Count	0
26470417	Non-hydrogen_Atom_Count	23
706167	Molecular_Weight	325.69
7263	Undefined_Atom_Stereo_Count	0
13597991	Hydrogen_Bond_Donor_Count	2
4739262	Defined_Atom_Stereo_Count	0
76344	Rotatable_Bond_Count	4
20688852	Covalent_Unit_Count	1
12892785	Covalent_Unit_Count	1
67108333	TPSA	32.7
5281613	Defined_Atom_Stereo_Count	10
17321	Covalent_Unit_Count	1
125461707	Undefined_Atom_Stereo_Count	0
135410875	Hydrogen_Bond_Acceptor_Count	7
5321948	Non-hydrogen_Atom_Count	20
11170949	XLogP3-AA	0.1
13111185	TPSA	26.3
16219444	Non-hydrogen_Atom_Count	24
41020	Structure_Complexity	538
91248258	Non-hydrogen_Atom_Count	7
10348973	Defined_Atom_Stereo_Count	0
312145	Mono_Isotopic_Weight	428.14711772
23667299	TPSA	156
235269	Undefined_Atom_Stereo_Count	0
16842	Hydrogen_Bond_Acceptor_Count	2
21330	Mono_Isotopic_Weight	267.05652907
13001072	Covalent_Unit_Count	1
21331354	Defined_Bond_Stereo_Count	0
10111	Total_Formal_Charge	0
317679	Covalent_Unit_Count	1
535717	Hydrogen_Bond_Donor_Count	0
25008941	Total_Formal_Charge	0
71777706	Undefined_Atom_Stereo_Count	0
131668418	Non-hydrogen_Atom_Count	23
52943302	Rotatable_Bond_Count	6
74950937	Hydrogen_Bond_Donor_Count	6
41170	Isotope_Atom_Count	0
13066	Molecular_Weight	228.31
13725871	Hydrogen_Bond_Donor_Count	0
113	Undefined_Bond_Stereo_Count	0
9865233	Isotope_Atom_Count	0
21115778	Covalent_Unit_Count	1
71449989	Mono_Isotopic_Weight	393.20861303
21118312	Covalent_Unit_Count	1
3295	Covalent_Unit_Count	1
72950888	Non-hydrogen_Atom_Count	42
643327	TPSA	57.5
63720	Defined_Bond_Stereo_Count	0
25131330	TPSA	81.3
69014	Defined_Bond_Stereo_Count	0
4594639	Hydrogen_Bond_Donor_Count	0
66414	Non-hydrogen_Atom_Count	22
73078	Rotatable_Bond_Count	4
13854255	Mono_Isotopic_Weight	220.182715385
233392	Undefined_Atom_Stereo_Count	0
3743	Tautomer_Count	4
62432	Molecular_Weight	233.27
853863	Total_Formal_Charge	0
58077	Structure_Complexity	422
130054486	XLogP3-AA	0.6
51003497	Non-hydrogen_Atom_Count	38
139061453	Isotope_Atom_Count	0
92629	Undefined_Bond_Stereo_Count	0
68255	Non-hydrogen_Atom_Count	9
77160509	Exact_Mass	85.089149355
440946	Hydrogen_Bond_Donor_Count	11
4351	Undefined_Atom_Stereo_Count	0
5371002	Total_Formal_Charge	0
40442	Structure_Complexity	275
15526206	Molecular_Weight	113.11
2795115	Undefined_Bond_Stereo_Count	0
11773	Defined_Bond_Stereo_Count	0
75581	Mono_Isotopic_Weight	128.062600255
4005	Hydrogen_Bond_Acceptor_Count	7
11662332	XLogP3-AA	2.6
118209838	Isotope_Atom_Count	0
67956	Rotatable_Bond_Count	0
5282768	Total_Formal_Charge	0
68668153	XLogP3-AA	2.1
2133	Hydrogen_Bond_Acceptor_Count	8
95497	TPSA	40.5
5795340	Undefined_Atom_Stereo_Count	0
11652722	Covalent_Unit_Count	1
51579	Defined_Atom_Stereo_Count	0
10901524	Tautomer_Count	1
5032	Total_Formal_Charge	0
29498	Isotope_Atom_Count	0
40471	TPSA	0
21228	Structure_Complexity	25.1
54679224	Mono_Isotopic_Weight	144.9930561
70207914	Undefined_Atom_Stereo_Count	0
41287	Hydrogen_Bond_Donor_Count	1
24818	Structure_Complexity	37.1
6383	Hydrogen_Bond_Acceptor_Count	0
23667628	Undefined_Atom_Stereo_Count	0
82593562	Structure_Complexity	78.4
5284616	Mono_Isotopic_Weight	913.55514157
53629499	Isotope_Atom_Count	0
556998	Defined_Bond_Stereo_Count	0
54678490	Defined_Bond_Stereo_Count	0
137349957	Molecular_Weight	885.4
121599	Defined_Atom_Stereo_Count	0
92546	XLogP3-AA	1.3
99295	Covalent_Unit_Count	1
6081	Exact_Mass	247.0975211
24006	Structure_Complexity	70.8
11402147	Rotatable_Bond_Count	5
11655511	Undefined_Atom_Stereo_Count	0
54248989	TPSA	20.3
3739	Total_Formal_Charge	0
688363	Mono_Isotopic_Weight	238.08412354
13275542	Structure_Complexity	137
688217	TPSA	75.6
224392	Defined_Bond_Stereo_Count	0
5479529	Structure_Complexity	798
16218636	Exact_Mass	307.26401645
443407	Structure_Complexity	772
6881	Non-hydrogen_Atom_Count	19
134812007	Isotope_Atom_Count	0
69932654	Hydrogen_Bond_Acceptor_Count	3
107319	Defined_Bond_Stereo_Count	0
11441307	XLogP3-AA	5.2
49862627	Hydrogen_Bond_Donor_Count	1
4339838	Rotatable_Bond_Count	13
274730	Hydrogen_Bond_Acceptor_Count	7
12774540	Exact_Mass	98.073164938
138041	Hydrogen_Bond_Donor_Count	0
19604021	Mono_Isotopic_Weight	98.084398327
694634	Mono_Isotopic_Weight	270.136827821
18622348	TPSA	48.2
1107	Mono_Isotopic_Weight	248.214015512
689784	Non-hydrogen_Atom_Count	24
589313	TPSA	41.6
54207973	Defined_Atom_Stereo_Count	0
138319688	Undefined_Bond_Stereo_Count	0
93205	Mono_Isotopic_Weight	385.17500423
135408511	Structure_Complexity	523
907	Hydrogen_Bond_Donor_Count	3
141630	Isotope_Atom_Count	0
449284	Defined_Atom_Stereo_Count	0
59630744	Isotope_Atom_Count	0
145994627	Total_Formal_Charge	0
54258195	Molecular_Weight	105.14
675587	Undefined_Bond_Stereo_Count	0
5288595	Defined_Atom_Stereo_Count	0
129009973	Defined_Bond_Stereo_Count	0
13804426	Mono_Isotopic_Weight	108.068748264
96251	Hydrogen_Bond_Acceptor_Count	1
134694073	Rotatable_Bond_Count	10
5281068	Mono_Isotopic_Weight	390.1346349
10479060	Defined_Bond_Stereo_Count	0
623	Exact_Mass	387.02326768
6651	XLogP3-AA	1.2
21698963	Hydrogen_Bond_Acceptor_Count	4
135977933	Isotope_Atom_Count	1
20613647	TPSA	38.9
449223	Covalent_Unit_Count	1
534094	Defined_Atom_Stereo_Count	0
24705	Exact_Mass	236.10840961
14679813	Structure_Complexity	1040
12164	Defined_Bond_Stereo_Count	0
6971003	Molecular_Weight	180.16
10246505	Mono_Isotopic_Weight	338.11542367
8012	Molecular_Weight	90.19
54691414	Defined_Atom_Stereo_Count	2
173604	Non-hydrogen_Atom_Count	10
16091096	Total_Formal_Charge	0
326	Total_Formal_Charge	0
2795115	Hydrogen_Bond_Acceptor_Count	2
36816	Structure_Complexity	401
13398	Total_Formal_Charge	0
9797661	TPSA	30.7
22238266	Undefined_Atom_Stereo_Count	0
54226	Defined_Atom_Stereo_Count	0
21873177	Hydrogen_Bond_Acceptor_Count	15
7081	Structure_Complexity	278
538757	Total_Formal_Charge	0
13207	Mono_Isotopic_Weight	126.104465066
168870	Hydrogen_Bond_Acceptor_Count	9
23479	Mono_Isotopic_Weight	317.1910276
220878	Covalent_Unit_Count	1
40467346	Hydrogen_Bond_Acceptor_Count	5
54607635	Hydrogen_Bond_Donor_Count	2
6444826	Defined_Bond_Stereo_Count	1
91713	Defined_Atom_Stereo_Count	2
10023121	Rotatable_Bond_Count	6
70278898	Total_Formal_Charge	0
550964	Isotope_Atom_Count	0
175191	Non-hydrogen_Atom_Count	24
8993	Rotatable_Bond_Count	6
16036788	Isotope_Atom_Count	0
59899303	Non-hydrogen_Atom_Count	8
58919855	Non-hydrogen_Atom_Count	8
91394869	Exact_Mass	99.068413911
9976892	Defined_Bond_Stereo_Count	0
21044269	Total_Formal_Charge	0
14084036	XLogP3	0.2
63260	Hydrogen_Bond_Acceptor_Count	3
60168629	Hydrogen_Bond_Donor_Count	1
135400182	Undefined_Atom_Stereo_Count	0
23385871	TPSA	3.2
12902	Hydrogen_Bond_Acceptor_Count	1
7795	Exact_Mass	158.130679813
424893	Exact_Mass	625.24334160
161333	Defined_Bond_Stereo_Count	0
40724	Hydrogen_Bond_Acceptor_Count	2
13627693	Covalent_Unit_Count	1
56672297	Structure_Complexity	690
6350580	Hydrogen_Bond_Acceptor_Count	3
66545764	Undefined_Bond_Stereo_Count	0
24405	Mono_Isotopic_Weight	335.15935417
129629038	Undefined_Bond_Stereo_Count	0
16396350	Mono_Isotopic_Weight	204.187800766
132279500	Structure_Complexity	99.2
47714	Hydrogen_Bond_Acceptor_Count	4
14453671	Mono_Isotopic_Weight	100.088815002
9903970	Undefined_Bond_Stereo_Count	0
20578	Total_Formal_Charge	1
44630108	Exact_Mass	196.146329876
145262893	Defined_Bond_Stereo_Count	0
135392375	Defined_Bond_Stereo_Count	0
70732	Molecular_Weight	123.15
44758	Hydrogen_Bond_Donor_Count	2
14294923	Non-hydrogen_Atom_Count	8
5232201	Total_Formal_Charge	1
941915	Rotatable_Bond_Count	1
68157	TPSA	21.6
29909	Defined_Bond_Stereo_Count	0
55511	Non-hydrogen_Atom_Count	17
70683024	Hydrogen_Bond_Donor_Count	12
9555	Isotope_Atom_Count	0
443151	Defined_Bond_Stereo_Count	0
7802604	Covalent_Unit_Count	1
4678	Exact_Mass	205.13140809
5791	Mono_Isotopic_Weight	275.1288213
16005120	Hydrogen_Bond_Acceptor_Count	1
1331	Total_Formal_Charge	0
97869	Defined_Bond_Stereo_Count	0
16725726	Hydrogen_Bond_Acceptor_Count	9
16073666	Isotope_Atom_Count	0
520802	Molecular_Weight	96.17
449435	Covalent_Unit_Count	1
35267	Rotatable_Bond_Count	3
23691042	Undefined_Bond_Stereo_Count	0
91783	Hydrogen_Bond_Acceptor_Count	4
99940264	Defined_Atom_Stereo_Count	10
13198341	Hydrogen_Bond_Acceptor_Count	3
89150	Total_Formal_Charge	0
67858481	Hydrogen_Bond_Acceptor_Count	2
12236733	Defined_Bond_Stereo_Count	0
7629	Undefined_Bond_Stereo_Count	0
60201265	Undefined_Bond_Stereo_Count	0
449488	Mono_Isotopic_Weight	72.068748264
30489	Structure_Complexity	115
1535935	Rotatable_Bond_Count	2
142566105	Defined_Atom_Stereo_Count	0
24884313	Structure_Complexity	495
1717915	Hydrogen_Bond_Donor_Count	1
20179	Defined_Bond_Stereo_Count	0
92761	TPSA	51.2
65774	Hydrogen_Bond_Donor_Count	1
18719616	Mono_Isotopic_Weight	97.016378338
51025660	Isotope_Atom_Count	0
66573	XLogP3-AA	3.5
5619	TPSA	23.6
20684416	Defined_Bond_Stereo_Count	0
5760	Undefined_Bond_Stereo_Count	0
11673085	Defined_Bond_Stereo_Count	0
1306	Defined_Bond_Stereo_Count	0
2300	TPSA	51.1
3242	XLogP3	1.3
474523	Total_Formal_Charge	0
66638	Defined_Atom_Stereo_Count	0
54693468	Hydrogen_Bond_Acceptor_Count	6
57485872	Defined_Atom_Stereo_Count	0
9908880	TPSA	83
15130858	Undefined_Bond_Stereo_Count	0
443158	Exact_Mass	154.135765193
283	Defined_Atom_Stereo_Count	0
70691395	Total_Formal_Charge	0
11170934	Hydrogen_Bond_Donor_Count	0
14295	Covalent_Unit_Count	1
20220668	Covalent_Unit_Count	1
8434	TPSA	46.5
19494	Structure_Complexity	84.1
136506065	Defined_Bond_Stereo_Count	0
13410	Undefined_Atom_Stereo_Count	0
567743	Rotatable_Bond_Count	4
5205	Structure_Complexity	397
17892701	Isotope_Atom_Count	0
134693629	Defined_Bond_Stereo_Count	0
23465004	XLogP3-AA	0.5
20054915	XLogP3-AA	4.9
186148	Hydrogen_Bond_Acceptor_Count	1
12602	Structure_Complexity	280
11870427	Undefined_Bond_Stereo_Count	0
113027	Structure_Complexity	192
12451640	Defined_Bond_Stereo_Count	0
14112	XLogP3-AA	2
53921527	TPSA	26.3
5354	Covalent_Unit_Count	1
44395151	XLogP3-AA	4
129009972	Undefined_Bond_Stereo_Count	0
86220885	Non-hydrogen_Atom_Count	4
88269064	Molecular_Weight	113.11
6538995	TPSA	82.5
25203624	Exact_Mass	374.1457717
674188	Exact_Mass	333.11764973
25010556	Total_Formal_Charge	1
59703138	Hydrogen_Bond_Acceptor_Count	4
541623	Structure_Complexity	80.5
61828	XLogP3-AA	1.3
49865922	Non-hydrogen_Atom_Count	26
193846	Isotope_Atom_Count	0
20387201	Defined_Atom_Stereo_Count	0
6326972	Total_Formal_Charge	0
9865	Non-hydrogen_Atom_Count	3
5365049	Rotatable_Bond_Count	6
5281912	Non-hydrogen_Atom_Count	24
68017365	Defined_Bond_Stereo_Count	0
10545864	Defined_Bond_Stereo_Count	0
190291	Non-hydrogen_Atom_Count	6
33191	Exact_Mass	176.120115130
12571167	Hydrogen_Bond_Donor_Count	0
90472752	Hydrogen_Bond_Donor_Count	5
96221	Defined_Bond_Stereo_Count	0
81097	Undefined_Bond_Stereo_Count	0
71837	Exact_Mass	310.1448057
19143	Rotatable_Bond_Count	2
261555	Mono_Isotopic_Weight	444.36034539
9547713	Non-hydrogen_Atom_Count	8
70678916	Tautomer_Count	2
13578	Non-hydrogen_Atom_Count	7
5289295	Molecular_Weight	185.26
28951068	Mono_Isotopic_Weight	111.032028402
137071	Hydrogen_Bond_Donor_Count	1
5460348	Undefined_Bond_Stereo_Count	0
24654	Rotatable_Bond_Count	0
13235324	Isotope_Atom_Count	0
2844	Defined_Atom_Stereo_Count	0
59422203	TPSA	95.6
11556910	TPSA	91.2
9863776	TPSA	113
702695	Undefined_Atom_Stereo_Count	0
439498	TPSA	93.4
64002	Undefined_Atom_Stereo_Count	1
14669	Total_Formal_Charge	0
70694239	Hydrogen_Bond_Donor_Count	1
64929	XLogP3	3.9
13003479	Undefined_Atom_Stereo_Count	2
160280695	Defined_Bond_Stereo_Count	0
11560	Undefined_Bond_Stereo_Count	0
2846928	Undefined_Atom_Stereo_Count	0
137218006	Hydrogen_Bond_Donor_Count	5
59646	Defined_Atom_Stereo_Count	0
709612	Undefined_Atom_Stereo_Count	0
57452	Molecular_Weight	210.66
566545	Hydrogen_Bond_Acceptor_Count	2
4133	Isotope_Atom_Count	0
20965	Rotatable_Bond_Count	6
23355	Tautomer_Count	10
24868273	Rotatable_Bond_Count	5
160078	Structure_Complexity	1560
95934	Total_Formal_Charge	0
11641515	Non-hydrogen_Atom_Count	32
25142173	Covalent_Unit_Count	1
3362	Defined_Atom_Stereo_Count	0
590836	Non-hydrogen_Atom_Count	30
16220016	Molecular_Weight	3431.9
11779028	Rotatable_Bond_Count	2
138277	Undefined_Atom_Stereo_Count	0
135332658	Structure_Complexity	134
3017363	Covalent_Unit_Count	1
7092	Defined_Bond_Stereo_Count	0
140789	Rotatable_Bond_Count	0
11377211	Defined_Atom_Stereo_Count	6
77967	Hydrogen_Bond_Acceptor_Count	4
5282211	Rotatable_Bond_Count	15
98048103	Hydrogen_Bond_Acceptor_Count	16
36354	TPSA	27.6
15661697	Undefined_Bond_Stereo_Count	0
69262172	TPSA	53
122672078	Hydrogen_Bond_Acceptor_Count	1
2782524	XLogP3-AA	1
90571	Hydrogen_Bond_Acceptor_Count	3
14041489	Isotope_Atom_Count	0
7150	Hydrogen_Bond_Acceptor_Count	2
23354329	Undefined_Atom_Stereo_Count	0
12087	XLogP3	1.6
189875	Exact_Mass	299.12699141
535634	Structure_Complexity	83.4
22594079	Hydrogen_Bond_Acceptor_Count	3
15951484	Undefined_Atom_Stereo_Count	1
70120	Defined_Atom_Stereo_Count	0
54152337	Structure_Complexity	405
11197931	Hydrogen_Bond_Acceptor_Count	5
11677589	Defined_Bond_Stereo_Count	0
2752588	Covalent_Unit_Count	1
56625	Covalent_Unit_Count	1
88720280	Mono_Isotopic_Weight	109.052763847
7130	Hydrogen_Bond_Acceptor_Count	1
5460135	Defined_Bond_Stereo_Count	3
11159486	Undefined_Atom_Stereo_Count	0
119072	Defined_Atom_Stereo_Count	2
47567	Defined_Bond_Stereo_Count	0
931	Hydrogen_Bond_Donor_Count	0
71674	TPSA	385
53977	Total_Formal_Charge	0
12375133	Exact_Mass	111.068413911
123723	Defined_Atom_Stereo_Count	1
60196437	Total_Formal_Charge	0
65072	Tautomer_Count	3
166556	Defined_Bond_Stereo_Count	0
15189027	Hydrogen_Bond_Acceptor_Count	2
1551097	Structure_Complexity	385
56670168	Rotatable_Bond_Count	5
637932	Covalent_Unit_Count	2
78398	Molecular_Weight	198.72
11197931	Isotope_Atom_Count	0
11520819	Non-hydrogen_Atom_Count	64
9883259	Undefined_Atom_Stereo_Count	1
27531	XLogP3-AA	2.1
17945614	Covalent_Unit_Count	1
53324128	Exact_Mass	446.14642732
154240696	Mono_Isotopic_Weight	99.079647300
19352068	Structure_Complexity	45.8
13758	TPSA	40
36573	Isotope_Atom_Count	0
20547	Hydrogen_Bond_Donor_Count	0
49787020	Exact_Mass	884.52456972
44443939	TPSA	164
68901306	Exact_Mass	461.23145648
46205737	XLogP3-AA	6
137699188	Defined_Atom_Stereo_Count	13
84621	Covalent_Unit_Count	1
15953	Hydrogen_Bond_Donor_Count	0
10330781	Tautomer_Count	4
25975	Hydrogen_Bond_Donor_Count	0
359	Total_Formal_Charge	0
546902	TPSA	3.2
89738	Defined_Atom_Stereo_Count	0
12576851	Hydrogen_Bond_Acceptor_Count	3
13462625	Undefined_Atom_Stereo_Count	1
87410	Defined_Atom_Stereo_Count	0
57370509	Undefined_Bond_Stereo_Count	0
49871007	XLogP3-AA	4.2
5978	Covalent_Unit_Count	1
12978170	Hydrogen_Bond_Acceptor_Count	0
21528538	Defined_Bond_Stereo_Count	0
90472751	Undefined_Atom_Stereo_Count	1
6439585	Undefined_Atom_Stereo_Count	4
44291156	Defined_Atom_Stereo_Count	15
20209050	Isotope_Atom_Count	0
23567201	Undefined_Atom_Stereo_Count	0
226764	Hydrogen_Bond_Donor_Count	0
23666342	Tautomer_Count	1
219023	Molecular_Weight	398.4
2574	TPSA	83.8
129890070	Mono_Isotopic_Weight	348.9520720
24916843	Non-hydrogen_Atom_Count	47
12642	Exact_Mass	106.0185425
10237	Total_Formal_Charge	0
973938	Mono_Isotopic_Weight	287.06161445
3392	Defined_Atom_Stereo_Count	0
11617559	Hydrogen_Bond_Acceptor_Count	7
12584	Undefined_Bond_Stereo_Count	0
82084	Defined_Atom_Stereo_Count	0
123684474	Hydrogen_Bond_Donor_Count	0
29911	Molecular_Weight	828.5
657237	TPSA	140
517313	Rotatable_Bond_Count	6
15375	Exact_Mass	119.058243149
84591	Rotatable_Bond_Count	0
46897877	Isotope_Atom_Count	0
6917655	Tautomer_Count	1
64966	Covalent_Unit_Count	1
162342152	TPSA	33
8606	Total_Formal_Charge	0
32698	Non-hydrogen_Atom_Count	21
25141092	Rotatable_Bond_Count	7
54712709	Defined_Atom_Stereo_Count	2
13032471	Defined_Bond_Stereo_Count	0
344644	Isotope_Atom_Count	0
9230	Exact_Mass	117.057849228
25006687	Exact_Mass	393.20524173
10931393	Undefined_Atom_Stereo_Count	1
94228	Hydrogen_Bond_Donor_Count	2
12434511	XLogP3-AA	0.1
71270	XLogP3-AA	2.7
70693664	XLogP3-AA	2
66573	Exact_Mass	240.089877630
10636633	Exact_Mass	282.10381361
14671580	Hydrogen_Bond_Donor_Count	0
6418362	Molecular_Weight	287.32
97815	TPSA	20.2
76956848	Total_Formal_Charge	0
7419	TPSA	63.3
12444346	Hydrogen_Bond_Donor_Count	1
44358318	Mono_Isotopic_Weight	450.15421043
49248	Structure_Complexity	327
20055036	Exact_Mass	414.05554326
53484567	Covalent_Unit_Count	1
441348	Exact_Mass	306.0901833
55285781	Undefined_Atom_Stereo_Count	0
411312	Undefined_Bond_Stereo_Count	0
10193406	Hydrogen_Bond_Acceptor_Count	4
27655	Molecular_Weight	152.53
22035327	Exact_Mass	112.063662883
818	Molecular_Weight	318.17
9650	Tautomer_Count	3
6327514	Defined_Atom_Stereo_Count	0
32603	Exact_Mass	504.1462019
69946325	Isotope_Atom_Count	0
73268	Molecular_Weight	128.09
12315	Covalent_Unit_Count	1
158431	Undefined_Atom_Stereo_Count	0
66876120	Hydrogen_Bond_Acceptor_Count	2
23189	Undefined_Atom_Stereo_Count	1
23713879	Exact_Mass	361.99159650
17787271	Structure_Complexity	135
321425	Non-hydrogen_Atom_Count	16
12321787	Defined_Atom_Stereo_Count	1
51921895	Hydrogen_Bond_Acceptor_Count	11
21873275	Mono_Isotopic_Weight	101.084063974
75567	Undefined_Bond_Stereo_Count	0
551387	TPSA	46.5
19370497	Mono_Isotopic_Weight	98.048012819
11113597	Non-hydrogen_Atom_Count	31
60867	Non-hydrogen_Atom_Count	21
998021	Rotatable_Bond_Count	7
2723654	Total_Formal_Charge	0
24678	Structure_Complexity	297
3467	Hydrogen_Bond_Acceptor_Count	12
193702	XLogP3	6.5
11612642	Mono_Isotopic_Weight	477.21761793
55840	Defined_Atom_Stereo_Count	0
72693	Structure_Complexity	1020
23167	Tautomer_Count	1
10665	Structure_Complexity	215
12509714	Non-hydrogen_Atom_Count	7
6314185	Rotatable_Bond_Count	7
54089	Hydrogen_Bond_Acceptor_Count	3
87079617	Non-hydrogen_Atom_Count	8
17877642	Rotatable_Bond_Count	1
10131842	Rotatable_Bond_Count	8
155613706	Non-hydrogen_Atom_Count	8
9867361	Defined_Bond_Stereo_Count	0
165345	Mono_Isotopic_Weight	103.063328530
12449	Isotope_Atom_Count	0
67707714	Total_Formal_Charge	0
146131	Molecular_Weight	180.16
148708	Exact_Mass	258.98441
9855453	Rotatable_Bond_Count	3
53232849	Structure_Complexity	96.3
3839223	Structure_Complexity	133
6604796	Hydrogen_Bond_Acceptor_Count	4
10592	Rotatable_Bond_Count	2
53183	XLogP3	3.2
904857	Non-hydrogen_Atom_Count	16
57829	Rotatable_Bond_Count	4
14585548	Rotatable_Bond_Count	0
10658	TPSA	39.4
190217	Non-hydrogen_Atom_Count	1
9950746	Isotope_Atom_Count	0
330395	Mono_Isotopic_Weight	113.084063974
768	Hydrogen_Bond_Acceptor_Count	1
9548590	Defined_Atom_Stereo_Count	10
22591	Defined_Atom_Stereo_Count	0
136835	Structure_Complexity	84.2
14646171	Undefined_Atom_Stereo_Count	1
40467042	Undefined_Atom_Stereo_Count	0
24526	Non-hydrogen_Atom_Count	2
11586912	TPSA	114
445318	Hydrogen_Bond_Acceptor_Count	6
135457035	Undefined_Bond_Stereo_Count	0
5365909	Defined_Atom_Stereo_Count	0
469	Defined_Atom_Stereo_Count	0
534055	Total_Formal_Charge	0
54046888	Rotatable_Bond_Count	3
27124	Undefined_Bond_Stereo_Count	1
42438	Covalent_Unit_Count	1
22524140	Molecular_Weight	905.0
527345	Structure_Complexity	516
54528335	Defined_Bond_Stereo_Count	0
12218833	Total_Formal_Charge	0
31842	Undefined_Atom_Stereo_Count	5
44630251	Defined_Bond_Stereo_Count	0
17569	Covalent_Unit_Count	1
73423	Hydrogen_Bond_Donor_Count	2
81410	Exact_Mass	190.9807773
208841	Undefined_Atom_Stereo_Count	0
152943	Covalent_Unit_Count	3
90272	Non-hydrogen_Atom_Count	18
7359	Covalent_Unit_Count	1
71464121	Non-hydrogen_Atom_Count	7
1127	Tautomer_Count	1
14434847	Total_Formal_Charge	0
9970626	Molecular_Weight	275.3
8229	Hydrogen_Bond_Acceptor_Count	14
47553	XLogP3	1.4
74574	Covalent_Unit_Count	1
23644194	Mono_Isotopic_Weight	730.46291296
20688852	Non-hydrogen_Atom_Count	7
19044091	Undefined_Atom_Stereo_Count	0
15749002	Isotope_Atom_Count	0
90487295	Molecular_Weight	113.16
81595	Exact_Mass	144.068748264
157849	Isotope_Atom_Count	0
58196257	Isotope_Atom_Count	0
46209133	Molecular_Weight	398.4
72257	Exact_Mass	262.07651319
552549	Rotatable_Bond_Count	0
115224	Isotope_Atom_Count	0
5283344	Defined_Bond_Stereo_Count	1
16212360	TPSA	40.1
91861230	TPSA	190
53856650	Exact_Mass	110.109550447
90355769	Total_Formal_Charge	0
53779	Exact_Mass	293.21032711
87303552	Covalent_Unit_Count	1
15559699	Rotatable_Bond_Count	0
20205172	Total_Formal_Charge	0
14849271	Covalent_Unit_Count	1
71456995	Undefined_Atom_Stereo_Count	0
306211	Non-hydrogen_Atom_Count	20
16212950	Rotatable_Bond_Count	47
133561861	Covalent_Unit_Count	1
18974460	Defined_Atom_Stereo_Count	0
90479422	Covalent_Unit_Count	1
92044408	Defined_Atom_Stereo_Count	13
5282401	Undefined_Atom_Stereo_Count	1
154081962	Non-hydrogen_Atom_Count	7
53384934	Rotatable_Bond_Count	3
5958	Defined_Atom_Stereo_Count	4
75567	Hydrogen_Bond_Acceptor_Count	2
150610	Defined_Atom_Stereo_Count	6
10031428	Non-hydrogen_Atom_Count	43
3067270	Structure_Complexity	343
8012	Non-hydrogen_Atom_Count	5
7199	Undefined_Atom_Stereo_Count	1
91145327	Isotope_Atom_Count	0
22899343	Hydrogen_Bond_Donor_Count	1
64919786	Undefined_Bond_Stereo_Count	0
72734520	Non-hydrogen_Atom_Count	36
689013	Exact_Mass	236.083729621
19004	Hydrogen_Bond_Acceptor_Count	4
12412266	Molecular_Weight	100.12
14743344	Hydrogen_Bond_Acceptor_Count	3
519305	Defined_Bond_Stereo_Count	0
7894	Undefined_Atom_Stereo_Count	0
771852	Mono_Isotopic_Weight	302.10667051
70690618	Molecular_Weight	398.5
5704083	Isotope_Atom_Count	0
43833360	TPSA	13.7
9955014	Structure_Complexity	545
549337	Mono_Isotopic_Weight	111.068413911
7762	Undefined_Bond_Stereo_Count	0
51357127	Non-hydrogen_Atom_Count	31
34148	Undefined_Bond_Stereo_Count	0
23724965	Tautomer_Count	2
44519	Exact_Mass	351.10591
26312	Undefined_Bond_Stereo_Count	0
23378923	Defined_Atom_Stereo_Count	0
76374506	Molecular_Weight	541.6
134158431	Exact_Mass	245.16270821
48758	Rotatable_Bond_Count	3
21893333	Defined_Bond_Stereo_Count	0
26106	Defined_Bond_Stereo_Count	0
335	Isotope_Atom_Count	0
3033332	Structure_Complexity	347
107999	Total_Formal_Charge	0
91766	Hydrogen_Bond_Donor_Count	2
57892450	Hydrogen_Bond_Donor_Count	1
23695767	Defined_Atom_Stereo_Count	3
101642132	Isotope_Atom_Count	0
381117	Hydrogen_Bond_Acceptor_Count	5
408714	Hydrogen_Bond_Acceptor_Count	1
14585707	Defined_Bond_Stereo_Count	0
4103	Defined_Bond_Stereo_Count	0
10313	Hydrogen_Bond_Acceptor_Count	2
139088049	Molecular_Weight	683.6
16395512	Exact_Mass	822.40378589
270299	Mono_Isotopic_Weight	116.083729621
6877	Exact_Mass	165.078978594
163798512	Exact_Mass	665.30474055
39230	Molecular_Weight	342.1
13254	Non-hydrogen_Atom_Count	14
6604365	Non-hydrogen_Atom_Count	24
595161	Hydrogen_Bond_Acceptor_Count	2
123134107	Undefined_Atom_Stereo_Count	3
53490	Non-hydrogen_Atom_Count	30
9837243	Rotatable_Bond_Count	5
93740	Hydrogen_Bond_Acceptor_Count	3
57773	Defined_Atom_Stereo_Count	0
20056950	Defined_Bond_Stereo_Count	0
85551668	Hydrogen_Bond_Acceptor_Count	4
445678	Molecular_Weight	148.20
58657603	TPSA	98.7
11346811	Non-hydrogen_Atom_Count	19
101955	Mono_Isotopic_Weight	102.0086696
5335	Exact_Mass	314.08374688
12116	Structure_Complexity	193
674976	Isotope_Atom_Count	0
5353370	Defined_Atom_Stereo_Count	0
2797779	Defined_Atom_Stereo_Count	0
3086637	Tautomer_Count	117
14343599	Isotope_Atom_Count	0
337100	Isotope_Atom_Count	0
2761399	Hydrogen_Bond_Donor_Count	1
11507920	Defined_Atom_Stereo_Count	0
5367412	Structure_Complexity	129
13012673	Molecular_Weight	71.08
671175	Structure_Complexity	402
5273569	Undefined_Bond_Stereo_Count	0
28565	TPSA	58.9
164877	Exact_Mass	357.220497874
136871	TPSA	9.2
7375	Defined_Bond_Stereo_Count	0
6819	Hydrogen_Bond_Acceptor_Count	6
9879368	XLogP3-AA	4.1
9460	Exact_Mass	225.126597491
21591456	Non-hydrogen_Atom_Count	16
123618	Rotatable_Bond_Count	4
10176126	Structure_Complexity	80.6
10757	Mono_Isotopic_Weight	154.0185425
1451	Undefined_Bond_Stereo_Count	0
22238533	Hydrogen_Bond_Donor_Count	1
97041723	Total_Formal_Charge	0
5459910	Structure_Complexity	547
57992030	Undefined_Atom_Stereo_Count	0
870718	Defined_Atom_Stereo_Count	1
11275562	Rotatable_Bond_Count	0
164167667	Molecular_Weight	113.11
668649	Structure_Complexity	435
753040	Hydrogen_Bond_Donor_Count	1
22222152	Total_Formal_Charge	0
78690	Defined_Bond_Stereo_Count	0
64965	Non-hydrogen_Atom_Count	25
14088498	Structure_Complexity	122
90997839	Isotope_Atom_Count	0
14294904	Hydrogen_Bond_Donor_Count	2
3082127	Mono_Isotopic_Weight	225.95807833
4158661	Molecular_Weight	419.5
12031	Defined_Atom_Stereo_Count	0
84130	Defined_Bond_Stereo_Count	0
67989199	Defined_Bond_Stereo_Count	0
6420010	Covalent_Unit_Count	2
123933412	Structure_Complexity	174
10428273	Defined_Atom_Stereo_Count	0
11814656	Isotope_Atom_Count	0
1740	XLogP3-AA	0.4
108108	Isotope_Atom_Count	0
129897177	Defined_Bond_Stereo_Count	2
5284341	Molecular_Weight	205.68
133561657	Total_Formal_Charge	0
68012	Non-hydrogen_Atom_Count	14
440317	Exact_Mass	522.97290313
14862984	Total_Formal_Charge	0
54580844	Exact_Mass	275.12340382
3768578	Isotope_Atom_Count	0
11326715	Total_Formal_Charge	0
163538854	Hydrogen_Bond_Donor_Count	1
76084	Total_Formal_Charge	0
92883	Mono_Isotopic_Weight	94.078250319
18714263	Defined_Atom_Stereo_Count	0
57363	XLogP3	3
6713312	Hydrogen_Bond_Acceptor_Count	3
45926185	Exact_Mass	345.07093309
28557	Defined_Bond_Stereo_Count	0
2482	Defined_Atom_Stereo_Count	0
5460570	Molecular_Weight	64.07
1189	Hydrogen_Bond_Donor_Count	5
13082553	TPSA	18.5
565005	Isotope_Atom_Count	0
64992103	Defined_Bond_Stereo_Count	0
1438150	Non-hydrogen_Atom_Count	20
23724510	Exact_Mass	1711.80301090
16760	Rotatable_Bond_Count	2
4078	Hydrogen_Bond_Acceptor_Count	5
442113	Defined_Atom_Stereo_Count	2
220878	Non-hydrogen_Atom_Count	7
677105	Mono_Isotopic_Weight	301.0175567
25154714	Defined_Atom_Stereo_Count	4
82332	Rotatable_Bond_Count	2
3063228	Hydrogen_Bond_Donor_Count	4
71140	Non-hydrogen_Atom_Count	18
2735045	Hydrogen_Bond_Donor_Count	0
91166883	Structure_Complexity	124
123619430	Total_Formal_Charge	0
42005	Covalent_Unit_Count	1
139190714	Undefined_Atom_Stereo_Count	0
107282	Covalent_Unit_Count	1
15207340	Undefined_Atom_Stereo_Count	1
3710788	Undefined_Atom_Stereo_Count	0
53705537	Defined_Bond_Stereo_Count	0
21922314	Defined_Atom_Stereo_Count	0
45120354	Molecular_Weight	114.14
20387237	Hydrogen_Bond_Acceptor_Count	1
6971007	Total_Formal_Charge	0
102677	Exact_Mass	84.057514874
518696	Undefined_Atom_Stereo_Count	0
228506	XLogP3-AA	0.2
9852188	TPSA	69.9
18805	Undefined_Bond_Stereo_Count	0
118499237	Undefined_Atom_Stereo_Count	0
42574	Undefined_Bond_Stereo_Count	0
3397	Covalent_Unit_Count	1
31472	Tautomer_Count	1
10994	Isotope_Atom_Count	0
706992	Isotope_Atom_Count	0
3085267	Molecular_Weight	274.3
497100	Rotatable_Bond_Count	2
131674976	XLogP3-AA	0.3
17882722	Hydrogen_Bond_Donor_Count	0
4141	Hydrogen_Bond_Donor_Count	0
14388239	Rotatable_Bond_Count	1
2733749	Mono_Isotopic_Weight	236.07318219
90961655	Covalent_Unit_Count	1
83904778	Isotope_Atom_Count	0
70454767	Covalent_Unit_Count	1
57429034	Total_Formal_Charge	0
41022	Undefined_Atom_Stereo_Count	1
3068367	Hydrogen_Bond_Acceptor_Count	16
14135407	XLogP3-AA	1.4
136419	XLogP3-AA	3.1
83091	Defined_Atom_Stereo_Count	0
23665647	Isotope_Atom_Count	0
36652	Covalent_Unit_Count	1
7924	Defined_Atom_Stereo_Count	0
26710	Structure_Complexity	54.3
58887274	Hydrogen_Bond_Donor_Count	1
2771013	Rotatable_Bond_Count	1
6992284	Undefined_Atom_Stereo_Count	0
2546	TPSA	112
68712	Exact_Mass	180.126263138
32708	Mono_Isotopic_Weight	349.062779
47811	Defined_Bond_Stereo_Count	0
5108383	Structure_Complexity	442
16129701	Undefined_Atom_Stereo_Count	0
6363	Hydrogen_Bond_Donor_Count	1
21889836	Hydrogen_Bond_Donor_Count	4
11643980	Total_Formal_Charge	0
142479371	Mono_Isotopic_Weight	103.063328530
475825	Defined_Atom_Stereo_Count	3
136219154	Defined_Atom_Stereo_Count	0
3940691	Mono_Isotopic_Weight	224.06847348
134688694	Isotope_Atom_Count	0
10448	Isotope_Atom_Count	0
3045407	Mono_Isotopic_Weight	578.26281617
561096	TPSA	0
84531	Undefined_Atom_Stereo_Count	0
131709225	Tautomer_Count	11
230351	Mono_Isotopic_Weight	132.078644241
673970	TPSA	122
13011	Exact_Mass	142.0185425
443073	Exact_Mass	119.058243149
24233	Non-hydrogen_Atom_Count	6
23599502	Undefined_Bond_Stereo_Count	0
26651	Molecular_Weight	425.4
23887	Undefined_Atom_Stereo_Count	2
665063	Covalent_Unit_Count	1
21884945	Undefined_Atom_Stereo_Count	0
20220663	Defined_Atom_Stereo_Count	0
4317	TPSA	116
80599	Mono_Isotopic_Weight	143.9800490
6671	Total_Formal_Charge	0
54345713	Isotope_Atom_Count	0
5932	Covalent_Unit_Count	2
58806257	Mono_Isotopic_Weight	114.104465066
9793848	Molecular_Weight	150.16
117717938	Non-hydrogen_Atom_Count	23
265520	Molecular_Weight	61.040
160556	Defined_Bond_Stereo_Count	0
57396951	Mono_Isotopic_Weight	640.25646912
75354	Molecular_Weight	367.4
5366149	Isotope_Atom_Count	0
544627	Hydrogen_Bond_Acceptor_Count	1
226102	Undefined_Atom_Stereo_Count	0
59759853	Mono_Isotopic_Weight	112.088815002
159278	Rotatable_Bond_Count	5
54180637	Defined_Bond_Stereo_Count	0
56679112	Mono_Isotopic_Weight	341.17394160
14653	Molecular_Weight	288.74
59296066	Molecular_Weight	487.9
144739862	Undefined_Bond_Stereo_Count	0
5054	Hydrogen_Bond_Acceptor_Count	2
5281416	Isotope_Atom_Count	0
101050964	Rotatable_Bond_Count	8
10909482	Structure_Complexity	85.4
11560414	XLogP3-AA	2.7
94021	Undefined_Bond_Stereo_Count	0
8151	Exact_Mass	140.04081944
16559	Undefined_Bond_Stereo_Count	0
20784557	Hydrogen_Bond_Acceptor_Count	2
9865515	Defined_Atom_Stereo_Count	0
2735085	Molecular_Weight	88.11
5357002	Mono_Isotopic_Weight	204.115029749
168381	Total_Formal_Charge	0
7210	Molecular_Weight	282.34
9931156	Covalent_Unit_Count	1
13400657	Rotatable_Bond_Count	1
23424384	Defined_Bond_Stereo_Count	0
613589	Covalent_Unit_Count	1
9170	Covalent_Unit_Count	1
10052040	Isotope_Atom_Count	0
6422	Defined_Bond_Stereo_Count	0
121232775	Tautomer_Count	1
19896519	Defined_Bond_Stereo_Count	0
91593	Undefined_Bond_Stereo_Count	0
40234	Hydrogen_Bond_Donor_Count	0
23663390	Non-hydrogen_Atom_Count	31
449366	Molecular_Weight	501.6
8094	Structure_Complexity	79
129073603	Defined_Bond_Stereo_Count	0
282752	Undefined_Bond_Stereo_Count	0
4969	Exact_Mass	331.14197277
9462	Structure_Complexity	167
154214	Isotope_Atom_Count	0
22731481	Rotatable_Bond_Count	1
12695916	Undefined_Atom_Stereo_Count	2
18624859	Undefined_Atom_Stereo_Count	0
1569	Isotope_Atom_Count	0
1724	Defined_Atom_Stereo_Count	0
90987052	Covalent_Unit_Count	1
840853	Defined_Atom_Stereo_Count	0
136253316	Defined_Atom_Stereo_Count	1
547696	Non-hydrogen_Atom_Count	7
88534961	Covalent_Unit_Count	1
141053308	Molecular_Weight	100.12
53456	Covalent_Unit_Count	1
89669330	Total_Formal_Charge	0
70851	Undefined_Bond_Stereo_Count	0
4194	Undefined_Bond_Stereo_Count	2
182677	XLogP3-AA	8.6
13349550	Total_Formal_Charge	0
70695760	Covalent_Unit_Count	1
328	Rotatable_Bond_Count	2
69981	Rotatable_Bond_Count	1
129703	Molecular_Weight	186.25
69932654	Non-hydrogen_Atom_Count	8
62477	Mono_Isotopic_Weight	130.099379685
71027	Hydrogen_Bond_Donor_Count	0
36821	Covalent_Unit_Count	1
21450	Defined_Atom_Stereo_Count	0
38771	Structure_Complexity	175
85505	Exact_Mass	184.9879707
712446	Undefined_Bond_Stereo_Count	0
6198	Mono_Isotopic_Weight	226.0872908
202877	TPSA	132
247573	Defined_Atom_Stereo_Count	3
10158453	Exact_Mass	409.0914706
54207973	Hydrogen_Bond_Donor_Count	1
699165	Defined_Bond_Stereo_Count	0
9519	Tautomer_Count	3
11205717	Isotope_Atom_Count	0
134692670	Mono_Isotopic_Weight	1100.42080787
11240435	Undefined_Bond_Stereo_Count	0
667468	XLogP3	4.3
18999022	Exact_Mass	99.104799419
2447	TPSA	72.2
5084	Mono_Isotopic_Weight	452.22122615
137673	Mono_Isotopic_Weight	116.083729621
11164	Isotope_Atom_Count	0
71007	Rotatable_Bond_Count	1
3724	Molecular_Weight	1550.2
102182857	Defined_Atom_Stereo_Count	0
139158	Non-hydrogen_Atom_Count	7
135409474	Mono_Isotopic_Weight	316.04775529
59067341	Covalent_Unit_Count	1
6437648	Hydrogen_Bond_Acceptor_Count	2
46781459	Defined_Atom_Stereo_Count	4
66485	Non-hydrogen_Atom_Count	20
89152969	Mono_Isotopic_Weight	114.104465066
65359	Covalent_Unit_Count	1
10307850	Mono_Isotopic_Weight	98.036779430
537396	Defined_Bond_Stereo_Count	0
64973730	Structure_Complexity	40.7
8862	Defined_Bond_Stereo_Count	0
23311753	Molecular_Weight	118.13
11229455	XLogP3-AA	0.9
998518	Mono_Isotopic_Weight	478.15287181
1721	Exact_Mass	290.11140092
441300	XLogP3-AA	0.9
54712148	Undefined_Atom_Stereo_Count	0
66069	Undefined_Bond_Stereo_Count	0
12807	Covalent_Unit_Count	1
57394711	TPSA	65
86248095	Hydrogen_Bond_Donor_Count	1
6943	Defined_Atom_Stereo_Count	0
74210	XLogP3	3.7
62753	Defined_Atom_Stereo_Count	0
53763878	Covalent_Unit_Count	1
9935073	Non-hydrogen_Atom_Count	32
6427102	Molecular_Weight	196.29
135527345	Defined_Bond_Stereo_Count	0
6720	Molecular_Weight	295.3
6604155	TPSA	236
71316127	Undefined_Bond_Stereo_Count	0
22344	Mono_Isotopic_Weight	219.847482
66016	Rotatable_Bond_Count	5
5359853	Undefined_Bond_Stereo_Count	0
208907	Total_Formal_Charge	0
521289	Structure_Complexity	2.8
19606581	Mono_Isotopic_Weight	208.07355886
170214	Defined_Bond_Stereo_Count	0
11948	Rotatable_Bond_Count	2
398652	Isotope_Atom_Count	0
33786	TPSA	131
4545429	Molecular_Weight	391.3
45791180	Defined_Atom_Stereo_Count	0
65015	Hydrogen_Bond_Acceptor_Count	8
87953	Rotatable_Bond_Count	17
9936	Undefined_Atom_Stereo_Count	0
32897	Mono_Isotopic_Weight	151.099714038
517441	Non-hydrogen_Atom_Count	11
763185	Mono_Isotopic_Weight	254.178298710
77191	Structure_Complexity	334
143122	Exact_Mass	110.109550447
152643	Undefined_Bond_Stereo_Count	0
9424	Rotatable_Bond_Count	4
41556	Non-hydrogen_Atom_Count	19
123539309	TPSA	9.2
11957707	Non-hydrogen_Atom_Count	23
66766582	Defined_Atom_Stereo_Count	0
117569444	Defined_Atom_Stereo_Count	0
8894	Rotatable_Bond_Count	0
123462540	Hydrogen_Bond_Donor_Count	2
23670774	Molecular_Weight	415.5
163781	Tautomer_Count	1000
29124	Total_Formal_Charge	0
14067296	Total_Formal_Charge	0
79241	Tautomer_Count	1
59986693	Hydrogen_Bond_Donor_Count	4
14740383	Total_Formal_Charge	0
21884720	Defined_Atom_Stereo_Count	0
688803	Defined_Atom_Stereo_Count	0
210	Molecular_Weight	674.6
3931172	Hydrogen_Bond_Acceptor_Count	3
136190013	Molecular_Weight	334.17
3037131	Structure_Complexity	27.5
8272	Undefined_Atom_Stereo_Count	0
7914	Isotope_Atom_Count	0
137554722	Structure_Complexity	151
166796	Mono_Isotopic_Weight	414.03275590
42525	Hydrogen_Bond_Donor_Count	2
16186582	TPSA	824
6324599	Structure_Complexity	1610
80642	Undefined_Atom_Stereo_Count	0
123485747	Rotatable_Bond_Count	2
19896519	Defined_Atom_Stereo_Count	0
12431582	Undefined_Bond_Stereo_Count	0
53629499	Exact_Mass	110.084398327
7439	Non-hydrogen_Atom_Count	11
91129494	TPSA	192
101186587	Hydrogen_Bond_Donor_Count	0
23236224	Total_Formal_Charge	0
138454386	Structure_Complexity	305
154196048	Hydrogen_Bond_Acceptor_Count	2
1041	Molecular_Weight	390.07
1671	XLogP3	3
3081938	Structure_Complexity	417
236745	Covalent_Unit_Count	1
174782	Molecular_Weight	847.5
31101	Isotope_Atom_Count	0
14809443	Molecular_Weight	100.12
1937	Rotatable_Bond_Count	4
100969894	Isotope_Atom_Count	0
16129710	Hydrogen_Bond_Donor_Count	24
95864	Undefined_Bond_Stereo_Count	0
4991	Total_Formal_Charge	1
12144388	Non-hydrogen_Atom_Count	8
6918123	Hydrogen_Bond_Donor_Count	3
135444627	Structure_Complexity	356
6744	Non-hydrogen_Atom_Count	30
121207908	Defined_Bond_Stereo_Count	0
69763756	Isotope_Atom_Count	0
36832	Tautomer_Count	1
20531563	Exact_Mass	85.063997236
76336793	Structure_Complexity	756
129815925	Structure_Complexity	113
1636	Mono_Isotopic_Weight	488.13412551
16217238	Hydrogen_Bond_Acceptor_Count	3
443130	TPSA	85.9
17181	Undefined_Bond_Stereo_Count	0
161973	Structure_Complexity	257
31217	Defined_Bond_Stereo_Count	0
135449284	Undefined_Atom_Stereo_Count	3
236702	XLogP3	2.8
89100	TPSA	6.5
14789	Structure_Complexity	27.9
21869002	Exact_Mass	118.062994177
15644502	Total_Formal_Charge	0
21124335	Molecular_Weight	624.3
154404053	Undefined_Bond_Stereo_Count	0
24865624	Covalent_Unit_Count	1
17001	Undefined_Atom_Stereo_Count	0
65684	Structure_Complexity	241
734	Defined_Bond_Stereo_Count	0
18759351	Undefined_Atom_Stereo_Count	2
46207586	Undefined_Bond_Stereo_Count	0
13916	Defined_Bond_Stereo_Count	0
15646794	Rotatable_Bond_Count	0
22645860	TPSA	38.1
49864535	Isotope_Atom_Count	0
53477948	Mono_Isotopic_Weight	510.42842495
69528681	Total_Formal_Charge	0
77405	Hydrogen_Bond_Donor_Count	2
32737	Isotope_Atom_Count	0
524954	Exact_Mass	106.078250319
78096	Hydrogen_Bond_Acceptor_Count	4
123998	Tautomer_Count	1000
778	Isotope_Atom_Count	0
16095274	Undefined_Atom_Stereo_Count	0
6945	Hydrogen_Bond_Donor_Count	0
9407	Undefined_Bond_Stereo_Count	0
9969177	Exact_Mass	366.10718492
9905438	Undefined_Bond_Stereo_Count	0
177700	Rotatable_Bond_Count	0
71343993	Structure_Complexity	79.8
24848271	Hydrogen_Bond_Acceptor_Count	1
4070	Structure_Complexity	66.6
3704	Isotope_Atom_Count	0
11595	Mono_Isotopic_Weight	116.094963011
6433272	Hydrogen_Bond_Acceptor_Count	18
88888	TPSA	26
69370	Hydrogen_Bond_Donor_Count	2
10862733	Isotope_Atom_Count	3
6346	TPSA	0
25137901	TPSA	263
97268	Hydrogen_Bond_Acceptor_Count	4
90877284	Covalent_Unit_Count	1
11995188	Undefined_Bond_Stereo_Count	0
574450	Covalent_Unit_Count	1
95361	XLogP3-AA	0.1
83193	Non-hydrogen_Atom_Count	10
32154	Rotatable_Bond_Count	3
68027	Covalent_Unit_Count	1
65776	Undefined_Bond_Stereo_Count	0
5281104	Structure_Complexity	676
141315890	Structure_Complexity	72.1
27287	Tautomer_Count	1
198068	Hydrogen_Bond_Donor_Count	0
688107	Mono_Isotopic_Weight	226.9985354
8369	Molecular_Weight	126.11
6222	Covalent_Unit_Count	1
4205685	Rotatable_Bond_Count	2
16678941	Undefined_Atom_Stereo_Count	0
58182899	Isotope_Atom_Count	0
16627	Rotatable_Bond_Count	4
135582708	Mono_Isotopic_Weight	324.09306551
57242	Exact_Mass	246.18444672
27756	Exact_Mass	120.093900383
55288256	Covalent_Unit_Count	1
73948	TPSA	93.2
443074	Total_Formal_Charge	0
12860	Undefined_Bond_Stereo_Count	0
5365332	Exact_Mass	101.084063974
123676075	Rotatable_Bond_Count	1
61126	Exact_Mass	152.120115130
30709	Hydrogen_Bond_Acceptor_Count	3
90818	Rotatable_Bond_Count	9
5359541	Hydrogen_Bond_Acceptor_Count	0
542680	Undefined_Bond_Stereo_Count	0
9029	Rotatable_Bond_Count	23
16215	Isotope_Atom_Count	0
5359327	Hydrogen_Bond_Donor_Count	0
100930731	Mono_Isotopic_Weight	96.057514874
257761	Defined_Bond_Stereo_Count	0
251504	Exact_Mass	113.047678466
9238	Exact_Mass	136.125200510
39507	Non-hydrogen_Atom_Count	27
357772	Defined_Bond_Stereo_Count	0
60196400	Structure_Complexity	630
23667657	Defined_Bond_Stereo_Count	0
3593	Exact_Mass	302.07903816
4779	Mono_Isotopic_Weight	335.09225967
12962	Total_Formal_Charge	0
10176	Defined_Bond_Stereo_Count	0
36	Structure_Complexity	186
3649	Tautomer_Count	1
170234	Undefined_Atom_Stereo_Count	0
138375814	Total_Formal_Charge	0
22456671	Total_Formal_Charge	0
151399	Exact_Mass	165.04596439
198791	Molecular_Weight	293.12
70916	Total_Formal_Charge	0
87653	Structure_Complexity	67.4
60810	Exact_Mass	475.20936192
13346	XLogP3-AA	2.3
7059596	Defined_Bond_Stereo_Count	0
13878880	Covalent_Unit_Count	1
71611	Undefined_Atom_Stereo_Count	0
11571555	Non-hydrogen_Atom_Count	29
2394	Molecular_Weight	1157.2
950975	Hydrogen_Bond_Donor_Count	1
10887879	Molecular_Weight	118.17
71449805	Molecular_Weight	305.4
16220095	Non-hydrogen_Atom_Count	38
625230	Undefined_Bond_Stereo_Count	0
8896	Exact_Mass	142.0116504
24561	Hydrogen_Bond_Donor_Count	0
22650	TPSA	65.3
84221363	Undefined_Atom_Stereo_Count	0
119086017	Total_Formal_Charge	0
13466096	Mono_Isotopic_Weight	210.068079557
12674802	Exact_Mass	304.78323
9548637	Undefined_Bond_Stereo_Count	0
39976	Isotope_Atom_Count	0
10349	Hydrogen_Bond_Donor_Count	2
66663	Mono_Isotopic_Weight	324.220163521
84986	Molecular_Weight	210.68
14145	Hydrogen_Bond_Donor_Count	0
88951	Covalent_Unit_Count	1
23691974	Exact_Mass	208.01700960
210739	Rotatable_Bond_Count	2
91666359	Total_Formal_Charge	0
41376	Tautomer_Count	12
13212923	Rotatable_Bond_Count	3
34148	TPSA	44.8
11040682	Non-hydrogen_Atom_Count	8
4142809	Total_Formal_Charge	0
18618629	Isotope_Atom_Count	0
52940549	Exact_Mass	680.37717722
59603	Non-hydrogen_Atom_Count	31
10073306	Defined_Bond_Stereo_Count	0
54110642	Exact_Mass	118.062994177
13562	Isotope_Atom_Count	0
54757520	Isotope_Atom_Count	0
439263	Hydrogen_Bond_Donor_Count	1
11051571	Defined_Bond_Stereo_Count	0
36149	Exact_Mass	175.08579531
53316417	Hydrogen_Bond_Acceptor_Count	11
2218	Undefined_Atom_Stereo_Count	0
54583932	Defined_Atom_Stereo_Count	1
5165230	Hydrogen_Bond_Acceptor_Count	3
60823	Total_Formal_Charge	0
34676239	Defined_Atom_Stereo_Count	1
146157955	Rotatable_Bond_Count	8
2733660	Exact_Mass	267.87215
825744	Hydrogen_Bond_Donor_Count	0
5489012	Mono_Isotopic_Weight	349.1444713
13110225	Hydrogen_Bond_Acceptor_Count	1
89742272	Isotope_Atom_Count	0
5362420	XLogP3-AA	4.9
2775003	TPSA	49.3
706074	Exact_Mass	326.153146591
14323	Tautomer_Count	3
5288783	Mono_Isotopic_Weight	412.29774513
904	Defined_Bond_Stereo_Count	0
13652129	Non-hydrogen_Atom_Count	3
854	Isotope_Atom_Count	0
3680	Rotatable_Bond_Count	4
14671256	Hydrogen_Bond_Acceptor_Count	1
170231	Structure_Complexity	408
17541	TPSA	29.5
44565798	Structure_Complexity	472
23355	Defined_Atom_Stereo_Count	0
57131946	Undefined_Bond_Stereo_Count	3
60196384	Defined_Atom_Stereo_Count	0
143562	Covalent_Unit_Count	1
2005	TPSA	66.4
66634681	Defined_Atom_Stereo_Count	0
3664	TPSA	149
7196	TPSA	55.8
49858375	Structure_Complexity	583
123249	Total_Formal_Charge	0
3395	Molecular_Weight	330.3
185792	Hydrogen_Bond_Donor_Count	1
522105	Structure_Complexity	70.8
58031952	Defined_Bond_Stereo_Count	0
4992	Undefined_Bond_Stereo_Count	0
8899	Exact_Mass	243.219829168
6957610	Molecular_Weight	294.4
151148	Undefined_Atom_Stereo_Count	0
53298027	XLogP3	2.7
55329	Mono_Isotopic_Weight	263.17461031
362828	Exact_Mass	297.11134135
136212897	Defined_Bond_Stereo_Count	2
154825561	XLogP3-AA	2.9
65664	Undefined_Atom_Stereo_Count	0
705467	TPSA	49.8
517121	Undefined_Atom_Stereo_Count	0
2723854	TPSA	197
153939682	Defined_Bond_Stereo_Count	0
13245696	Non-hydrogen_Atom_Count	8
19338	Undefined_Atom_Stereo_Count	1
5284451	Undefined_Bond_Stereo_Count	0
923480	Defined_Bond_Stereo_Count	0
139590596	Defined_Atom_Stereo_Count	8
141758017	Total_Formal_Charge	0
5282455	Rotatable_Bond_Count	18
20055121	Exact_Mass	319.10156451
11485656	Hydrogen_Bond_Donor_Count	4
7716	XLogP3	7.7
3007984	Defined_Atom_Stereo_Count	6
14298876	Exact_Mass	86.084398327
10934636	XLogP3-AA	3
13199217	Non-hydrogen_Atom_Count	8
161830	Covalent_Unit_Count	1
131752808	Mono_Isotopic_Weight	196.146329876
125183303	Hydrogen_Bond_Acceptor_Count	17
10761920	Defined_Atom_Stereo_Count	0
59296111	Undefined_Atom_Stereo_Count	0
10975422	Undefined_Bond_Stereo_Count	0
21865526	Rotatable_Bond_Count	2
17310	Molecular_Weight	122.19
14587284	Mono_Isotopic_Weight	99.032028402
31254	Hydrogen_Bond_Donor_Count	1
404566	Molecular_Weight	315.5
259994	Defined_Atom_Stereo_Count	1
12717520	Hydrogen_Bond_Donor_Count	1
126521	Defined_Bond_Stereo_Count	0
435360	Structure_Complexity	172
24742076	TPSA	330
449035	Defined_Bond_Stereo_Count	0
24978601	Total_Formal_Charge	0
3871454	Defined_Bond_Stereo_Count	0
71895	Defined_Bond_Stereo_Count	0
9918581	Non-hydrogen_Atom_Count	50
53403603	Hydrogen_Bond_Acceptor_Count	3
6445562	Covalent_Unit_Count	1
52949464	Molecular_Weight	415.4
3047803	Covalent_Unit_Count	1
11662332	Covalent_Unit_Count	1
5382853	XLogP3-AA	2.6
98306	Defined_Bond_Stereo_Count	0
66565	Defined_Atom_Stereo_Count	0
131869249	Mono_Isotopic_Weight	203.20660985
118210494	Hydrogen_Bond_Donor_Count	0
457831	XLogP3-AA	0.6
58881	TPSA	49.8
536431	Isotope_Atom_Count	0
193702	Exact_Mass	318.11944
18939579	Hydrogen_Bond_Donor_Count	1
7809	Hydrogen_Bond_Acceptor_Count	0
139085145	Molecular_Weight	296.29
866	Defined_Atom_Stereo_Count	0
45358975	TPSA	7.8
60790	Mono_Isotopic_Weight	384.16852187
70969	TPSA	26
409350	Undefined_Bond_Stereo_Count	0
3506	Rotatable_Bond_Count	12
135484551	Undefined_Bond_Stereo_Count	0
413552	Undefined_Atom_Stereo_Count	1
65590	Rotatable_Bond_Count	1
13945	Total_Formal_Charge	0
11093674	Undefined_Atom_Stereo_Count	1
246983	TPSA	20.2
44719848	Mono_Isotopic_Weight	79.042199164
493342	Hydrogen_Bond_Acceptor_Count	5
115225	Non-hydrogen_Atom_Count	20
11650986	Undefined_Atom_Stereo_Count	0
12869962	Hydrogen_Bond_Acceptor_Count	1
9577272	Molecular_Weight	221.30
16837	Isotope_Atom_Count	0
69033681	Hydrogen_Bond_Donor_Count	1
523048	Hydrogen_Bond_Donor_Count	0
99478	Hydrogen_Bond_Acceptor_Count	5
56842239	Undefined_Bond_Stereo_Count	0
57398256	Defined_Bond_Stereo_Count	0
24868268	Non-hydrogen_Atom_Count	35
55256	Tautomer_Count	3
52921886	Undefined_Atom_Stereo_Count	0
141427445	Structure_Complexity	147
9855454	XLogP3-AA	0.2
21687221	Structure_Complexity	125
17860889	Non-hydrogen_Atom_Count	7
16993	Undefined_Atom_Stereo_Count	1
12546267	Total_Formal_Charge	0
86446	Rotatable_Bond_Count	5
22420	Non-hydrogen_Atom_Count	15
55288089	Mono_Isotopic_Weight	111.068413911
5289418	Exact_Mass	296.11609238
97478	TPSA	15.3
54706138	Covalent_Unit_Count	1
87401	Defined_Bond_Stereo_Count	0
9793926	Undefined_Atom_Stereo_Count	0
18212	Exact_Mass	197.12766012
527764	Defined_Atom_Stereo_Count	0
10242	TPSA	52.9
84063981	Structure_Complexity	124
84720	Total_Formal_Charge	0
558102	Mono_Isotopic_Weight	181.885975
13314	Hydrogen_Bond_Donor_Count	1
135484551	Hydrogen_Bond_Acceptor_Count	9
79069	TPSA	20.2
66100	Non-hydrogen_Atom_Count	16
19755826	Covalent_Unit_Count	1
141282030	Undefined_Bond_Stereo_Count	0
580	Rotatable_Bond_Count	7
9870843	Molecular_Weight	506.6
76970981	Exact_Mass	433.16714214
141230540	Defined_Bond_Stereo_Count	0
50045	Rotatable_Bond_Count	8
16136245	XLogP3-AA	3.5
87470	XLogP3	2.5
68279	TPSA	6.5
253878	Isotope_Atom_Count	0
82550	TPSA	29.1
615549	Defined_Atom_Stereo_Count	0
10772	Defined_Atom_Stereo_Count	0
57398392	Undefined_Atom_Stereo_Count	0
5458165	Non-hydrogen_Atom_Count	37
97725	TPSA	83.6
639643	Total_Formal_Charge	0
20499147	Undefined_Atom_Stereo_Count	1
3336	Covalent_Unit_Count	1
657731	Exact_Mass	292.02113
86359	Hydrogen_Bond_Donor_Count	0
13460	Molecular_Weight	250.29
123641140	Defined_Atom_Stereo_Count	0
141315890	TPSA	30.8
18606	TPSA	60.7
101944071	Mono_Isotopic_Weight	345.0759302
44719848	Structure_Complexity	124
5146	Undefined_Bond_Stereo_Count	0
24434	Molecular_Weight	101.103
155803776	Defined_Bond_Stereo_Count	0
177870	Hydrogen_Bond_Donor_Count	1
53893761	Total_Formal_Charge	0
163943218	Mono_Isotopic_Weight	116.083729621
57335384	Non-hydrogen_Atom_Count	40
62354	Undefined_Atom_Stereo_Count	13
67045	Exact_Mass	284.01030715
3198	Non-hydrogen_Atom_Count	24
439155	Defined_Atom_Stereo_Count	5
4025	Undefined_Atom_Stereo_Count	2
477	Hydrogen_Bond_Donor_Count	10
121750	Structure_Complexity	503
447607	Isotope_Atom_Count	0
129846869	Isotope_Atom_Count	0
23077956	Molecular_Weight	114.11
9885981	Undefined_Atom_Stereo_Count	0
519213	TPSA	37.3
20055404	Hydrogen_Bond_Acceptor_Count	2
77998	Covalent_Unit_Count	2
10199016	Hydrogen_Bond_Donor_Count	3
70687384	Undefined_Bond_Stereo_Count	0
157049	XLogP3-AA	9.2
8405	Mono_Isotopic_Weight	129.057849228
25019940	Isotope_Atom_Count	0
74735	Non-hydrogen_Atom_Count	8
53415109	Undefined_Bond_Stereo_Count	1
6433266	Tautomer_Count	1
53807546	XLogP3-AA	0.8
5541	Exact_Mass	218.07903816
14795102	TPSA	40.5
42334	Defined_Atom_Stereo_Count	0
1069	Defined_Bond_Stereo_Count	0
590907	Structure_Complexity	190
5377793	Mono_Isotopic_Weight	268.121177757
1504097	Structure_Complexity	123
72200931	Defined_Bond_Stereo_Count	0
11565240	Covalent_Unit_Count	1
13217239	TPSA	70
2816577	Undefined_Atom_Stereo_Count	0
4096517	Rotatable_Bond_Count	3
90908946	XLogP3-AA	7.5
130509102	Molecular_Weight	114.15
9361	TPSA	194
400185	XLogP3-AA	3.6
10176113	Defined_Bond_Stereo_Count	0
4413	TPSA	141
1649	Isotope_Atom_Count	0
43184	Undefined_Bond_Stereo_Count	0
22047	Non-hydrogen_Atom_Count	23
4949	Undefined_Atom_Stereo_Count	0
3010818	Tautomer_Count	48
66636	Total_Formal_Charge	0
67805120	TPSA	0
100524	Hydrogen_Bond_Acceptor_Count	6
440192	Undefined_Atom_Stereo_Count	1
11575	Total_Formal_Charge	0
136705145	Rotatable_Bond_Count	5
42105518	Undefined_Atom_Stereo_Count	0
143122	Tautomer_Count	1
11753673	Exact_Mass	597.33150487
652840	Exact_Mass	426.13617637
2280	TPSA	178
131954782	Total_Formal_Charge	0
44338843	XLogP3-AA	2.9
62105	Covalent_Unit_Count	1
21411162	Total_Formal_Charge	0
4186	Rotatable_Bond_Count	6
55291579	Total_Formal_Charge	0
6538996	Defined_Bond_Stereo_Count	0
521440	Hydrogen_Bond_Donor_Count	2
70038	XLogP3	3.2
22629	Exact_Mass	222.125594432
129627802	Covalent_Unit_Count	1
821327	Hydrogen_Bond_Donor_Count	0
925253	Hydrogen_Bond_Donor_Count	1
57396149	Mono_Isotopic_Weight	478.20723331
518760	Tautomer_Count	1
88771736	Molecular_Weight	117.13
140203	Rotatable_Bond_Count	4
71517697	Covalent_Unit_Count	1
71681010	Undefined_Bond_Stereo_Count	0
81713	Defined_Bond_Stereo_Count	0
56842207	Structure_Complexity	793
163468867	Rotatable_Bond_Count	1
404513	Defined_Bond_Stereo_Count	0
6540262	Molecular_Weight	98.15
10977	Hydrogen_Bond_Acceptor_Count	0
6435335	Hydrogen_Bond_Donor_Count	5
910268	Non-hydrogen_Atom_Count	19
45084999	Hydrogen_Bond_Acceptor_Count	2
109022	Hydrogen_Bond_Donor_Count	3
132217741	Molecular_Weight	117.15
71317094	Covalent_Unit_Count	1
123875607	Isotope_Atom_Count	0
5282230	Total_Formal_Charge	0
67383967	Total_Formal_Charge	0
44629653	Defined_Atom_Stereo_Count	0
71840	Undefined_Atom_Stereo_Count	0
57404185	Hydrogen_Bond_Donor_Count	1
13078198	Covalent_Unit_Count	1
66577114	Molecular_Weight	852.8
92979	Defined_Atom_Stereo_Count	5
3607	Isotope_Atom_Count	0
156599244	Undefined_Bond_Stereo_Count	1
52944421	Non-hydrogen_Atom_Count	29
24755478	Defined_Atom_Stereo_Count	2
60196363	Covalent_Unit_Count	1
132277953	Rotatable_Bond_Count	8
62278	Defined_Bond_Stereo_Count	0
16212960	Exact_Mass	182.07009777
88464	Covalent_Unit_Count	1
9353	Total_Formal_Charge	0
5353370	Hydrogen_Bond_Donor_Count	1
21983433	Covalent_Unit_Count	3
8658	TPSA	26.3
15906	Undefined_Bond_Stereo_Count	0
65335	Defined_Bond_Stereo_Count	0
85979	Undefined_Atom_Stereo_Count	1
12768224	Exact_Mass	110.073164938
78601	Hydrogen_Bond_Acceptor_Count	1
14462	Exact_Mass	128.156500638
21907926	XLogP3-AA	0.8
23103323	Isotope_Atom_Count	0
21027022	Non-hydrogen_Atom_Count	7
9909202	Total_Formal_Charge	0
528407	Undefined_Bond_Stereo_Count	0
59059978	Total_Formal_Charge	0
129734884	Structure_Complexity	736
5329055	XLogP3-AA	4.9
11719190	Structure_Complexity	616
57392165	Undefined_Atom_Stereo_Count	1
2184	Total_Formal_Charge	0
81045	Rotatable_Bond_Count	13
78392	TPSA	17.1
19518	Hydrogen_Bond_Donor_Count	1
84481	TPSA	73.3
76500	Isotope_Atom_Count	0
446320	Undefined_Bond_Stereo_Count	0
604767	Hydrogen_Bond_Acceptor_Count	4
483	Isotope_Atom_Count	0
1549018	Structure_Complexity	233
61539	Hydrogen_Bond_Acceptor_Count	0
1712094	Defined_Atom_Stereo_Count	0
317677	Structure_Complexity	74.6
20638380	Total_Formal_Charge	0
71905	Hydrogen_Bond_Acceptor_Count	5
75657	Exact_Mass	127.099714038
15084312	Molecular_Weight	100.12
5619	Defined_Atom_Stereo_Count	0
23673604	Total_Formal_Charge	0
54484	Exact_Mass	292.17869263
34296	Undefined_Bond_Stereo_Count	0
21715653	Undefined_Bond_Stereo_Count	0
340	Covalent_Unit_Count	1
16158208	Defined_Bond_Stereo_Count	0
15188270	Exact_Mass	83.073499291
16960	Mono_Isotopic_Weight	318.07316
16161850	Non-hydrogen_Atom_Count	93
4392	Hydrogen_Bond_Donor_Count	4
551387	Isotope_Atom_Count	0
287180	Covalent_Unit_Count	1
135765350	TPSA	53.5
12811926	Covalent_Unit_Count	1
20535601	Mono_Isotopic_Weight	113.084063974
57417192	Hydrogen_Bond_Donor_Count	7
5507	Covalent_Unit_Count	1
2775641	Undefined_Bond_Stereo_Count	0
12150354	Undefined_Bond_Stereo_Count	0
84647648	Mono_Isotopic_Weight	110.084398327
75903	Molecular_Weight	330.3
31297	Hydrogen_Bond_Acceptor_Count	2
91439	XLogP3-AA	6.5
183679	Isotope_Atom_Count	0
3026	Rotatable_Bond_Count	10
11159486	Hydrogen_Bond_Acceptor_Count	3
146159775	Total_Formal_Charge	0
14728565	Non-hydrogen_Atom_Count	15
439368	Hydrogen_Bond_Donor_Count	1
130698977	Isotope_Atom_Count	0
448812	Rotatable_Bond_Count	10
12777	Structure_Complexity	120
27387	Non-hydrogen_Atom_Count	21
54680278	TPSA	342
21547708	Tautomer_Count	5
10276962	Covalent_Unit_Count	1
9994	Rotatable_Bond_Count	0
72064	XLogP3-AA	3.5
66603137	Undefined_Atom_Stereo_Count	0
102003559	Exact_Mass	1438.56054879
59295994	Covalent_Unit_Count	1
54368808	Exact_Mass	109.052763847
67495	Molecular_Weight	198.29
2674	Rotatable_Bond_Count	6
5487426	Exact_Mass	471.01736
13930075	Hydrogen_Bond_Acceptor_Count	1
146675212	Structure_Complexity	2510
13563	TPSA	3.2
139341721	XLogP3-AA	1
161215	Molecular_Weight	410.5
11702	Covalent_Unit_Count	1
119307	Isotope_Atom_Count	0
56608900	Structure_Complexity	101
57396607	Defined_Atom_Stereo_Count	0
143196	Rotatable_Bond_Count	0
68167579	Defined_Atom_Stereo_Count	4
69356	Defined_Bond_Stereo_Count	0
75460	Molecular_Weight	157.60
572717	Total_Formal_Charge	0
19080487	Defined_Atom_Stereo_Count	0
6979	Isotope_Atom_Count	0
62436	Hydrogen_Bond_Donor_Count	0
78406	Defined_Bond_Stereo_Count	0
34844	Defined_Bond_Stereo_Count	0
11289	Exact_Mass	380.1179222
68840	Exact_Mass	237.151749610
818	Total_Formal_Charge	0
22464	Isotope_Atom_Count	0
20055342	Molecular_Weight	1464.1
57448808	Structure_Complexity	139
135403805	Rotatable_Bond_Count	3
149784	Undefined_Bond_Stereo_Count	0
3084313	Molecular_Weight	577.7
92	Undefined_Atom_Stereo_Count	4
5459840	Hydrogen_Bond_Donor_Count	6
67626	Structure_Complexity	261
265520	Hydrogen_Bond_Acceptor_Count	2
77569	Exact_Mass	214.95819
6445540	Isotope_Atom_Count	0
167693	Undefined_Atom_Stereo_Count	0
89	Undefined_Atom_Stereo_Count	1
194299	Exact_Mass	230.0110882
102446	Defined_Bond_Stereo_Count	0
20745	Non-hydrogen_Atom_Count	9
23102733	Defined_Bond_Stereo_Count	0
178019	Undefined_Bond_Stereo_Count	0
94330	Covalent_Unit_Count	1
119097406	Covalent_Unit_Count	1
3107	TPSA	113
5325504	Isotope_Atom_Count	0
21700	Total_Formal_Charge	0
6473876	Defined_Atom_Stereo_Count	13
63959	Defined_Atom_Stereo_Count	0
14577080	Mono_Isotopic_Weight	285.0920418
101498	Molecular_Weight	114.08
23293	Non-hydrogen_Atom_Count	7
76548	Non-hydrogen_Atom_Count	12
23665874	Tautomer_Count	3
6180	TPSA	91.7
49862768	Defined_Atom_Stereo_Count	0
7812	Hydrogen_Bond_Donor_Count	1
5746	Defined_Bond_Stereo_Count	0
760006	Total_Formal_Charge	0
541384	Hydrogen_Bond_Acceptor_Count	3
11405	Defined_Bond_Stereo_Count	0
21249654	Total_Formal_Charge	2
439286	Structure_Complexity	128
664126	Molecular_Weight	323.5
12731218	Non-hydrogen_Atom_Count	7
88822	Mono_Isotopic_Weight	634.55362546
11527	Molecular_Weight	130.23
3239396	Non-hydrogen_Atom_Count	20
441073	Covalent_Unit_Count	1
4126474	Hydrogen_Bond_Donor_Count	0
12513438	Undefined_Atom_Stereo_Count	0
21579051	Undefined_Bond_Stereo_Count	0
7146283	Isotope_Atom_Count	0
44560911	Structure_Complexity	462
66571	Isotope_Atom_Count	0
20517187	Non-hydrogen_Atom_Count	8
48289	Isotope_Atom_Count	0
22486676	Hydrogen_Bond_Donor_Count	1
11485687	Mono_Isotopic_Weight	376.10347683
13611188	Structure_Complexity	144
91819762	Hydrogen_Bond_Acceptor_Count	12
60196362	Molecular_Weight	531.6
4651115	Undefined_Bond_Stereo_Count	3
156617950	TPSA	190
54267	Rotatable_Bond_Count	2
65060	Total_Formal_Charge	0
21202	Mono_Isotopic_Weight	262.168127949
11633804	TPSA	70.1
5281070	Covalent_Unit_Count	2
12969	Exact_Mass	84.093900383
18523096	Undefined_Bond_Stereo_Count	0
6436031	Hydrogen_Bond_Donor_Count	3
56842796	Defined_Atom_Stereo_Count	5
1721	Hydrogen_Bond_Donor_Count	6
68702	Hydrogen_Bond_Donor_Count	1
121861	Total_Formal_Charge	0
55790	Hydrogen_Bond_Donor_Count	0
57545	Total_Formal_Charge	0
60198	Molecular_Weight	296.4
21251781	Defined_Atom_Stereo_Count	0
5362564	Rotatable_Bond_Count	2
6445007	Tautomer_Count	1
128549	Covalent_Unit_Count	1
13084	Isotope_Atom_Count	0
46220	Undefined_Bond_Stereo_Count	0
12716156	Exact_Mass	104.062600255
56626	Molecular_Weight	323.4
7765	Defined_Bond_Stereo_Count	0
65331	Undefined_Bond_Stereo_Count	0
117736498	Undefined_Atom_Stereo_Count	0
25001002	Rotatable_Bond_Count	12
8733	Mono_Isotopic_Weight	390.27700969
443943	Exact_Mass	454.1922300
14195	Isotope_Atom_Count	0
9867257	Molecular_Weight	428.5
17954	Total_Formal_Charge	0
54545615	Undefined_Atom_Stereo_Count	1
135456058	Undefined_Bond_Stereo_Count	0
44366214	Exact_Mass	1034.55759593
11855	Molecular_Weight	250.3
91427979	Hydrogen_Bond_Donor_Count	0
53435617	Undefined_Atom_Stereo_Count	0
133556498	Non-hydrogen_Atom_Count	43
54014389	Defined_Atom_Stereo_Count	0
225703	Non-hydrogen_Atom_Count	18
31260	Undefined_Bond_Stereo_Count	0
5469318	Molecular_Weight	358.5
23667629	Total_Formal_Charge	0
27712	Exact_Mass	335.15214353
6604200	Hydrogen_Bond_Donor_Count	1
79126	Rotatable_Bond_Count	4
9883029	Exact_Mass	307.132076794
5325710	Total_Formal_Charge	0
28166	Hydrogen_Bond_Donor_Count	0
9967055	Molecular_Weight	324.4
2465	Tautomer_Count	1
9884833	Undefined_Atom_Stereo_Count	0
163255537	Hydrogen_Bond_Donor_Count	0
20624744	Total_Formal_Charge	0
74267	Mono_Isotopic_Weight	398.13532476
6914131	Mono_Isotopic_Weight	31.0516786514
22574	Defined_Atom_Stereo_Count	0
5462501	Hydrogen_Bond_Acceptor_Count	6
91414	Molecular_Weight	165.07
16684171	Total_Formal_Charge	0
10483883	Total_Formal_Charge	0
53784863	Molecular_Weight	105.14
44468216	Rotatable_Bond_Count	2
42095	Molecular_Weight	174.20
12316	Defined_Atom_Stereo_Count	0
68384915	Non-hydrogen_Atom_Count	21
139060478	Molecular_Weight	583.0
70445	Isotope_Atom_Count	0
71626	Tautomer_Count	1
69356	Defined_Atom_Stereo_Count	0
66747531	TPSA	38.1
171075	Isotope_Atom_Count	0
18497	TPSA	104
7311724	Defined_Atom_Stereo_Count	1
3034742	Hydrogen_Bond_Donor_Count	5
216324	Hydrogen_Bond_Donor_Count	1
12724623	Molecular_Weight	98.14
11742	Defined_Atom_Stereo_Count	0
38258	Covalent_Unit_Count	1
9001	Molecular_Weight	314.2
11081093	Hydrogen_Bond_Donor_Count	0
91187762	Rotatable_Bond_Count	0
146156212	Hydrogen_Bond_Acceptor_Count	7
137553930	Total_Formal_Charge	0
5351548	Mono_Isotopic_Weight	841.44598505
46078	Covalent_Unit_Count	1
2789	Defined_Bond_Stereo_Count	0
8817	Molecular_Weight	119.16
547686	Non-hydrogen_Atom_Count	8
925253	Covalent_Unit_Count	1
11073346	Defined_Bond_Stereo_Count	0
1013432	TPSA	109
6947	TPSA	66
1140	Hydrogen_Bond_Acceptor_Count	0
12370	Covalent_Unit_Count	1
5642	Undefined_Atom_Stereo_Count	4
67236	Mono_Isotopic_Weight	264.078644241
34306	Structure_Complexity	135
14163	Molecular_Weight	270.37
12240	Hydrogen_Bond_Acceptor_Count	1
70991	Tautomer_Count	2
146159249	XLogP3-AA	4.1
104553443	Total_Formal_Charge	0
458096	Isotope_Atom_Count	0
129626367	Isotope_Atom_Count	1
1241301	Exact_Mass	196.9371984
12200728	Undefined_Atom_Stereo_Count	0
1212	TPSA	118
91087925	Molecular_Weight	97.16
16217112	TPSA	110
11556427	Undefined_Bond_Stereo_Count	0
8142	Hydrogen_Bond_Acceptor_Count	0
442348	Covalent_Unit_Count	1
5744	Defined_Bond_Stereo_Count	0
11189402	Rotatable_Bond_Count	6
45266598	Exact_Mass	833.12577494
10832	Total_Formal_Charge	0
165412951	Non-hydrogen_Atom_Count	23
71317028	Defined_Bond_Stereo_Count	0
20055342	Total_Formal_Charge	0
18612333	Defined_Bond_Stereo_Count	0
70685	Covalent_Unit_Count	1
10017019	Rotatable_Bond_Count	1
54732122	Undefined_Bond_Stereo_Count	0
92211533	XLogP3-AA	2.6
15737685	Mono_Isotopic_Weight	108.057514874
20141332	Hydrogen_Bond_Donor_Count	1
21679450	Molecular_Weight	107.11
107169	Hydrogen_Bond_Acceptor_Count	1
11060054	Defined_Atom_Stereo_Count	0
633	Molecular_Weight	703.1
4637086	Mono_Isotopic_Weight	109.076573296
274074	Defined_Atom_Stereo_Count	0
88239551	Exact_Mass	107.037113783
1381	Exact_Mass	408.18886022
5311169	Non-hydrogen_Atom_Count	96
15475335	Molecular_Weight	112.13
17764882	Undefined_Bond_Stereo_Count	0
146767	XLogP3-AA	1.6
166547	Undefined_Atom_Stereo_Count	0
68423	Structure_Complexity	39.4
216385	Structure_Complexity	467
3349	Rotatable_Bond_Count	1
55287849	Molecular_Weight	99.13
145858	Exact_Mass	207.080989970
44183	Tautomer_Count	1
13601826	Defined_Bond_Stereo_Count	0
54582078	Molecular_Weight	359.4
5311068	Mono_Isotopic_Weight	200.131348519
13848	Covalent_Unit_Count	1
521226	TPSA	0
129836041	Covalent_Unit_Count	2
445575	Hydrogen_Bond_Acceptor_Count	3
72099	Defined_Bond_Stereo_Count	0
439318	Rotatable_Bond_Count	6
4216510	TPSA	223
104838	Isotope_Atom_Count	0
13616	Hydrogen_Bond_Acceptor_Count	2
123613360	Hydrogen_Bond_Donor_Count	0
91746625	Total_Formal_Charge	0
3034048	Mono_Isotopic_Weight	325.08063582
6419942	Molecular_Weight	302.16
69173085	Non-hydrogen_Atom_Count	7
6071	Undefined_Bond_Stereo_Count	0
10203245	Hydrogen_Bond_Acceptor_Count	9
165157	Defined_Atom_Stereo_Count	12
91758680	Defined_Bond_Stereo_Count	0
15374	TPSA	24.1
11538455	TPSA	95.3
47319	XLogP3-AA	7.9
12389634	Exact_Mass	94.078250319
20541332	Molecular_Weight	244.33
134715456	Hydrogen_Bond_Donor_Count	1
123630180	Hydrogen_Bond_Donor_Count	0
25298	Molecular_Weight	104.15
7742	Rotatable_Bond_Count	2
24469	Hydrogen_Bond_Acceptor_Count	4
284024	Undefined_Bond_Stereo_Count	0
131954608	Non-hydrogen_Atom_Count	46
68976065	TPSA	12
5353422	Rotatable_Bond_Count	8
137075	XLogP3	1.6
7067772	TPSA	152
46205408	TPSA	199
63952	TPSA	90.8
25102847	Non-hydrogen_Atom_Count	37
51399572	Undefined_Bond_Stereo_Count	0
53595	Total_Formal_Charge	0
5281764	Undefined_Bond_Stereo_Count	0
135434844	Defined_Bond_Stereo_Count	7
155143	TPSA	43.4
51235	Hydrogen_Bond_Donor_Count	2
6971033	Hydrogen_Bond_Acceptor_Count	4
67602	TPSA	0
969105	Undefined_Atom_Stereo_Count	0
91129494	XLogP3-AA	1.1
5284507	Covalent_Unit_Count	1
46780884	Isotope_Atom_Count	0
75258	Hydrogen_Bond_Acceptor_Count	10
156212	Covalent_Unit_Count	1
60510	Hydrogen_Bond_Acceptor_Count	2
2882	Mono_Isotopic_Weight	468.06926132
662400	Hydrogen_Bond_Acceptor_Count	6
1174	Covalent_Unit_Count	1
13611196	Covalent_Unit_Count	1
1549520	Mono_Isotopic_Weight	163.063328530
5365049	TPSA	26.3
25256833	Undefined_Atom_Stereo_Count	0
99953	Hydrogen_Bond_Acceptor_Count	2
70678896	Molecular_Weight	1058.0
31508	XLogP3	3
10898648	Mono_Isotopic_Weight	97.052763847
6917868	Undefined_Atom_Stereo_Count	0
145945090	Non-hydrogen_Atom_Count	44
95578	Isotope_Atom_Count	0
5608	Structure_Complexity	1420
31234	Exact_Mass	136.088815002
11582982	XLogP3-AA	3.1
20190406	Structure_Complexity	94.5
24714	Rotatable_Bond_Count	9
66171	Rotatable_Bond_Count	1
16219464	Mono_Isotopic_Weight	527.23263824
30199	Tautomer_Count	2
28650	Total_Formal_Charge	0
11872	Molecular_Weight	198.13
344234	TPSA	12.9
12962	TPSA	46.3
20138	Defined_Atom_Stereo_Count	0
3029012	Molecular_Weight	181.19
89402065	Structure_Complexity	95.3
13985	Structure_Complexity	417
171995	Total_Formal_Charge	0
72849	TPSA	0
44392137	Exact_Mass	530.26031425
10964421	TPSA	48.5
5321950	Defined_Bond_Stereo_Count	1
57892450	Structure_Complexity	58.6
30868	Total_Formal_Charge	2
53319417	Mono_Isotopic_Weight	450.1346349
16722522	Hydrogen_Bond_Acceptor_Count	1
546	Exact_Mass	139.98746025
6854	Hydrogen_Bond_Donor_Count	1
75846	Undefined_Bond_Stereo_Count	0
24812	Hydrogen_Bond_Donor_Count	0
215932	Hydrogen_Bond_Donor_Count	1
22627013	Hydrogen_Bond_Acceptor_Count	2
17407	Undefined_Bond_Stereo_Count	0
5289143	Molecular_Weight	483.6
34388	Total_Formal_Charge	0
122517441	Covalent_Unit_Count	1
67510	Defined_Bond_Stereo_Count	0
127000832	Total_Formal_Charge	0
300385	XLogP3-AA	3.2
10297818	Structure_Complexity	552
154701594	Molecular_Weight	359.5
194777	Hydrogen_Bond_Donor_Count	4
17617	Covalent_Unit_Count	1
671	Undefined_Bond_Stereo_Count	0
156651923	Undefined_Bond_Stereo_Count	0
123388382	XLogP3-AA	0.5
59296081	Hydrogen_Bond_Donor_Count	3
16091082	Undefined_Atom_Stereo_Count	0
12589	Total_Formal_Charge	0
1779	Defined_Atom_Stereo_Count	0
15090448	Exact_Mass	114.068079557
39268	Exact_Mass	338.199428076
130027214	Rotatable_Bond_Count	0
9422	Molecular_Weight	242.3
143339316	Defined_Atom_Stereo_Count	0
70608	Total_Formal_Charge	0
5280581	Undefined_Bond_Stereo_Count	0
56620695	Hydrogen_Bond_Acceptor_Count	3
5310957	Isotope_Atom_Count	0
5464265	Tautomer_Count	1
144550270	Defined_Bond_Stereo_Count	0
26534	Molecular_Weight	259.80
5174	XLogP3	3.7
3033821	Exact_Mass	335.13822480
25021359	Undefined_Bond_Stereo_Count	0
5086465	Mono_Isotopic_Weight	90.98537551
5284596	Molecular_Weight	327.4
71683048	Total_Formal_Charge	0
158758	Total_Formal_Charge	0
10350561	Mono_Isotopic_Weight	841.44598505
561657	XLogP3-AA	2.1
57484	XLogP3-AA	0.4
1516	Exact_Mass	272.96367
138733	Rotatable_Bond_Count	0
101725836	Defined_Bond_Stereo_Count	2
160565	Exact_Mass	509.88250
70543261	Mono_Isotopic_Weight	180.06338810
637572	Defined_Bond_Stereo_Count	0
11636795	Covalent_Unit_Count	1
54108432	Exact_Mass	122.03433465
21278826	Exact_Mass	98.084398327
6979027	Molecular_Weight	303.35
10337	Mono_Isotopic_Weight	110.0134572
68036	Hydrogen_Bond_Donor_Count	2
6256	Mono_Isotopic_Weight	296.06200594
83287	Structure_Complexity	165
55285488	Undefined_Atom_Stereo_Count	0
151148	Molecular_Weight	190.15
1796220	Undefined_Atom_Stereo_Count	0
9833468	Molecular_Weight	1157.4
24769	Defined_Bond_Stereo_Count	0
10556	Mono_Isotopic_Weight	183.97490
91580832	Hydrogen_Bond_Donor_Count	2
123816919	Defined_Atom_Stereo_Count	0
50990393	Exact_Mass	923.48784986
524410	Rotatable_Bond_Count	0
11777341	Defined_Atom_Stereo_Count	1
933147	Mono_Isotopic_Weight	293.0138088
124846	Tautomer_Count	6
3945	Defined_Atom_Stereo_Count	0
50009	Undefined_Atom_Stereo_Count	0
135438424	Total_Formal_Charge	0
11804674	TPSA	17.1
53328	Tautomer_Count	2
86000267	Exact_Mass	208.219100893
40589	Non-hydrogen_Atom_Count	26
285886	Hydrogen_Bond_Donor_Count	1
20848	Exact_Mass	345.09945651
11116690	Exact_Mass	182.05831813
3034372	Structure_Complexity	106
84815	Rotatable_Bond_Count	4
14803	Hydrogen_Bond_Acceptor_Count	2
20542700	TPSA	52.5
7941	Rotatable_Bond_Count	2
12724530	Structure_Complexity	84.2
89629295	Hydrogen_Bond_Acceptor_Count	2
194699	Structure_Complexity	323
25271781	Undefined_Atom_Stereo_Count	0
71857	Exact_Mass	375.15426879
31297	XLogP3-AA	0.4
16050641	TPSA	77.2
5289085	Rotatable_Bond_Count	6
83050	Undefined_Bond_Stereo_Count	0
71486	Undefined_Bond_Stereo_Count	0
18771	Rotatable_Bond_Count	0
164575	Undefined_Bond_Stereo_Count	0
9202	Undefined_Atom_Stereo_Count	0
1614	Defined_Bond_Stereo_Count	0
17884	Isotope_Atom_Count	0
57433782	Isotope_Atom_Count	0
182362	Molecular_Weight	254.24
9821217	Covalent_Unit_Count	1
185698	Mono_Isotopic_Weight	180.06338810
4004	Isotope_Atom_Count	0
5125	Total_Formal_Charge	0
6971016	TPSA	110
160051	Rotatable_Bond_Count	22
44420813	Isotope_Atom_Count	0
5284441	TPSA	12.5
11801	Mono_Isotopic_Weight	269.0277275
94715	Rotatable_Bond_Count	1
59059060	TPSA	25.8
1254	Structure_Complexity	120
9938	Rotatable_Bond_Count	0
468076	Undefined_Bond_Stereo_Count	0
289807	Covalent_Unit_Count	1
25200943	Non-hydrogen_Atom_Count	33
135413504	Defined_Bond_Stereo_Count	0
19757496	Defined_Atom_Stereo_Count	0
9303	TPSA	118
132781234	TPSA	297
62656	Exact_Mass	125.90349
10441670	Structure_Complexity	77.7
36688137	Hydrogen_Bond_Acceptor_Count	2
22624610	Covalent_Unit_Count	1
12298493	Exact_Mass	109.052763847
1268107	Rotatable_Bond_Count	0
139079010	Mono_Isotopic_Weight	510.21144931
28503	Isotope_Atom_Count	0
137550	Undefined_Atom_Stereo_Count	0
97754	Rotatable_Bond_Count	1
9332	Exact_Mass	219.07727831
246219	Defined_Bond_Stereo_Count	0
11990755	Rotatable_Bond_Count	4
817967	Undefined_Bond_Stereo_Count	0
6451477	TPSA	9.2
34364440	Covalent_Unit_Count	1
20339874	Total_Formal_Charge	0
15992306	Molecular_Weight	388.3
190	Total_Formal_Charge	0
5361092	Hydrogen_Bond_Donor_Count	2
24848375	Undefined_Bond_Stereo_Count	0
5280581	Hydrogen_Bond_Acceptor_Count	2
10557	Non-hydrogen_Atom_Count	5
114751	Tautomer_Count	3
61254	Hydrogen_Bond_Acceptor_Count	3
57061642	Rotatable_Bond_Count	2
56623654	Undefined_Atom_Stereo_Count	0
24848283	Isotope_Atom_Count	0
10267087	Non-hydrogen_Atom_Count	22
155292829	TPSA	365
6905	Rotatable_Bond_Count	0
7222	TPSA	41.1
164946899	Defined_Bond_Stereo_Count	1
8748	Rotatable_Bond_Count	1
3036703	Defined_Bond_Stereo_Count	0
3720053	Mono_Isotopic_Weight	111.032028402
10909493	Undefined_Bond_Stereo_Count	0
69401251	Mono_Isotopic_Weight	111.068413911
5283454	Mono_Isotopic_Weight	325.298079487
5829	Molecular_Weight	102.18
544629	Hydrogen_Bond_Acceptor_Count	1
12309462	Hydrogen_Bond_Acceptor_Count	4
4293071	Undefined_Bond_Stereo_Count	0
295042	Defined_Atom_Stereo_Count	0
90736006	Non-hydrogen_Atom_Count	8
44345665	Exact_Mass	410.1145682
3889	Mono_Isotopic_Weight	520.10124741
10975412	Molecular_Weight	97.12
3033856	Hydrogen_Bond_Donor_Count	4
6656	Covalent_Unit_Count	1
9892481	Exact_Mass	435.21580641
117190022	Hydrogen_Bond_Donor_Count	2
2215	Rotatable_Bond_Count	0
12810	Mono_Isotopic_Weight	170.130679813
71587897	TPSA	124
440784	Exact_Mass	590.31043507
10419146	Molecular_Weight	112.17
132862	Exact_Mass	188.12732577
71209	XLogP3-AA	1.7
18626423	Non-hydrogen_Atom_Count	8
40376	Tautomer_Count	1
102248333	Structure_Complexity	1280
110968	Rotatable_Bond_Count	5
75982	Mono_Isotopic_Weight	104.094963011
566069	Defined_Bond_Stereo_Count	0
53838967	Undefined_Atom_Stereo_Count	0
728	Hydrogen_Bond_Donor_Count	0
8573	Non-hydrogen_Atom_Count	18
87100666	Defined_Bond_Stereo_Count	0
675242	Defined_Bond_Stereo_Count	0
45588096	Hydrogen_Bond_Donor_Count	58
153085381	Undefined_Bond_Stereo_Count	0
9832750	Defined_Atom_Stereo_Count	19
10346870	XLogP3-AA	3.3
42627755	Defined_Atom_Stereo_Count	0
5324288	Undefined_Atom_Stereo_Count	0
6451084	Rotatable_Bond_Count	14
133136	TPSA	59
9961	Tautomer_Count	1
95512	Hydrogen_Bond_Acceptor_Count	1
5311271	Hydrogen_Bond_Acceptor_Count	5
6405	Total_Formal_Charge	0
11519070	Mono_Isotopic_Weight	428.258954327
147126464	Exact_Mass	95.073499291
87409	Undefined_Bond_Stereo_Count	0
1967	Exact_Mass	326.18819469
70023156	Undefined_Atom_Stereo_Count	1
23663953	TPSA	97.9
10445549	Isotope_Atom_Count	0
181978	Exact_Mass	378.13734088
13510025	Exact_Mass	116.083729621
7249	Undefined_Atom_Stereo_Count	0
9889867	XLogP3-AA	2.6
11452022	Isotope_Atom_Count	0
5281800	Covalent_Unit_Count	1
10237369	Isotope_Atom_Count	0
45488114	Mono_Isotopic_Weight	295.132076794
49084	Non-hydrogen_Atom_Count	21
5965	Covalent_Unit_Count	3
125702	Hydrogen_Bond_Acceptor_Count	6
90477282	Undefined_Atom_Stereo_Count	0
21991095	XLogP3-AA	0.7
7067872	XLogP3	0.9
4690	TPSA	49.8
2723698	Molecular_Weight	111.17
16050931	Non-hydrogen_Atom_Count	20
443928	Mono_Isotopic_Weight	434.21046687
44473182	Total_Formal_Charge	0
3916	Tautomer_Count	1
11077530	Structure_Complexity	379
24352	Exact_Mass	340.16093457
4757	Defined_Atom_Stereo_Count	0
21330	Undefined_Bond_Stereo_Count	0
18764599	XLogP3-AA	0.2
167845	Mono_Isotopic_Weight	223.93009
189003	XLogP3	0.6
2019	Covalent_Unit_Count	1
53914733	Rotatable_Bond_Count	0
19031167	Isotope_Atom_Count	0
136843	Hydrogen_Bond_Acceptor_Count	2
688803	Covalent_Unit_Count	1
10997035	Mono_Isotopic_Weight	126.104465066
5364598	Hydrogen_Bond_Donor_Count	0
522065	Tautomer_Count	1
5158	Hydrogen_Bond_Acceptor_Count	26
5284572	Structure_Complexity	1520
121235738	Rotatable_Bond_Count	2
6026790	Exact_Mass	594.52232533
57390867	Defined_Bond_Stereo_Count	0
82052	Undefined_Bond_Stereo_Count	0
20055294	Structure_Complexity	1330
2811264	Non-hydrogen_Atom_Count	25
10727124	XLogP3-AA	2.9
53494692	Hydrogen_Bond_Acceptor_Count	4
86748	Total_Formal_Charge	0
59296048	Defined_Atom_Stereo_Count	1
10582477	Covalent_Unit_Count	1
5459319	Structure_Complexity	1030
9840517	Undefined_Atom_Stereo_Count	0
92272	Non-hydrogen_Atom_Count	16
9964066	Defined_Atom_Stereo_Count	0
20329340	Undefined_Atom_Stereo_Count	0
19667	Molecular_Weight	256.36
135121972	Defined_Atom_Stereo_Count	0
65844	Undefined_Atom_Stereo_Count	1
64628	Structure_Complexity	813
24916993	Undefined_Bond_Stereo_Count	0
9568069	Undefined_Bond_Stereo_Count	0
68861	Undefined_Atom_Stereo_Count	0
125702	XLogP3-AA	2.3
20063135	Mono_Isotopic_Weight	116.083729621
54152337	Hydrogen_Bond_Donor_Count	4
74764517	Isotope_Atom_Count	0
24367	XLogP3-AA	3.5
11480819	Hydrogen_Bond_Acceptor_Count	6
14647552	Exact_Mass	133.146664230
6918309	Isotope_Atom_Count	0
12830793	Exact_Mass	114.104465066
31762	Total_Formal_Charge	0
74572	Defined_Atom_Stereo_Count	0
66425	Structure_Complexity	408
44159252	Total_Formal_Charge	0
53631439	Hydrogen_Bond_Acceptor_Count	2
114905	Hydrogen_Bond_Acceptor_Count	9
37036	Total_Formal_Charge	0
44339136	Mono_Isotopic_Weight	513.1158910
81643	Defined_Atom_Stereo_Count	0
12488	Isotope_Atom_Count	0
24872560	Hydrogen_Bond_Acceptor_Count	9
11263478	Defined_Atom_Stereo_Count	0
6931391	Hydrogen_Bond_Donor_Count	1
25058167	Defined_Bond_Stereo_Count	0
45972	Exact_Mass	291.207253108
147285	Hydrogen_Bond_Acceptor_Count	2
11829356	TPSA	29.5
6097185	Tautomer_Count	1
40146	Hydrogen_Bond_Donor_Count	1
87424384	Total_Formal_Charge	0
45488107	Exact_Mass	445.11618739
1295	Tautomer_Count	1
1382059	Hydrogen_Bond_Donor_Count	1
131709156	Undefined_Bond_Stereo_Count	0
6854	Covalent_Unit_Count	1
99378	TPSA	29.5
46782362	Undefined_Atom_Stereo_Count	0
69698	Structure_Complexity	266
71311337	Non-hydrogen_Atom_Count	8
29352	Exact_Mass	152.083729621
536549	Isotope_Atom_Count	0
10723	Mono_Isotopic_Weight	148.088815002
72187525	Defined_Bond_Stereo_Count	5
1995	Hydrogen_Bond_Donor_Count	2
118253852	Isotope_Atom_Count	0
13672886	Exact_Mass	100.063662883
63985	Undefined_Bond_Stereo_Count	0
19688498	Defined_Bond_Stereo_Count	0
10219398	Mono_Isotopic_Weight	111.032028402
20056682	Rotatable_Bond_Count	8
4622	Hydrogen_Bond_Donor_Count	2
46231499	Structure_Complexity	660
4101	TPSA	13
89507839	Structure_Complexity	382
15096	Undefined_Bond_Stereo_Count	0
5311345	Undefined_Atom_Stereo_Count	0
10239769	Isotope_Atom_Count	0
54175107	XLogP3-AA	1
34192	Structure_Complexity	213
6922967	Isotope_Atom_Count	0
87077243	Covalent_Unit_Count	1
91277	Structure_Complexity	342
21996	Molecular_Weight	98.15
61220	Mono_Isotopic_Weight	238.980210
10093379	Isotope_Atom_Count	0
15056663	Non-hydrogen_Atom_Count	17
53667465	Hydrogen_Bond_Donor_Count	0
241419	Hydrogen_Bond_Donor_Count	1
6837	Covalent_Unit_Count	1
93680	Rotatable_Bond_Count	21
46451	TPSA	30.5
25006687	Hydrogen_Bond_Donor_Count	2
129847163	Isotope_Atom_Count	0
70695759	Hydrogen_Bond_Acceptor_Count	5
6435836	Hydrogen_Bond_Acceptor_Count	8
5310967	Non-hydrogen_Atom_Count	12
9565	Total_Formal_Charge	0
155465	Defined_Atom_Stereo_Count	0
27934	Defined_Atom_Stereo_Count	0
1079	Exact_Mass	399.14506403
23597592	TPSA	29.5
5282544	Covalent_Unit_Count	1
91895876	Hydrogen_Bond_Donor_Count	1
53884785	Covalent_Unit_Count	1
9874875	Hydrogen_Bond_Acceptor_Count	4
12697524	Covalent_Unit_Count	1
11232	Undefined_Atom_Stereo_Count	0
12205098	TPSA	60.7
6518168	Rotatable_Bond_Count	7
7	Tautomer_Count	998
91694	Defined_Bond_Stereo_Count	0
23672293	Non-hydrogen_Atom_Count	12
9284	TPSA	34.6
20342	Total_Formal_Charge	0
135673987	Undefined_Atom_Stereo_Count	0
24671	Non-hydrogen_Atom_Count	31
6058	Rotatable_Bond_Count	1
5311429	Tautomer_Count	2
13134	Molecular_Weight	126.05
13556	Structure_Complexity	56.6
123203551	Non-hydrogen_Atom_Count	8
6713312	Undefined_Atom_Stereo_Count	3
359137	Undefined_Atom_Stereo_Count	2
76225402	Molecular_Weight	97.12
55482	Structure_Complexity	593
14344952	Defined_Bond_Stereo_Count	0
70688569	Isotope_Atom_Count	0
70563	Mono_Isotopic_Weight	283.1339066
73921	Defined_Atom_Stereo_Count	0
64927	Undefined_Atom_Stereo_Count	1
64462	Defined_Bond_Stereo_Count	0
84647614	Hydrogen_Bond_Acceptor_Count	3
78557	TPSA	9.7
139149	Total_Formal_Charge	0
165857173	TPSA	38.6
443943	Non-hydrogen_Atom_Count	31
13173560	TPSA	0
16095274	Hydrogen_Bond_Acceptor_Count	3
18984686	Mono_Isotopic_Weight	99.032028402
44311016	Covalent_Unit_Count	1
71395877	TPSA	0
134914194	Defined_Atom_Stereo_Count	0
259821	Non-hydrogen_Atom_Count	10
39752	TPSA	66.1
2299	Non-hydrogen_Atom_Count	32
647120	Exact_Mass	403.1274391
8598	Hydrogen_Bond_Acceptor_Count	7
97725	Undefined_Bond_Stereo_Count	0
148673	Structure_Complexity	601
637497	Defined_Atom_Stereo_Count	1
11979535	Isotope_Atom_Count	0
21670825	TPSA	0
55287240	Defined_Atom_Stereo_Count	0
339455	XLogP3-AA	3
51042	Total_Formal_Charge	0
398604	Molecular_Weight	400.4
410087	Undefined_Bond_Stereo_Count	0
12648409	Structure_Complexity	94.9
10138260	TPSA	107
51102	Molecular_Weight	285.34
44267026	Molecular_Weight	212.27
57750418	Defined_Atom_Stereo_Count	0
18542136	Mono_Isotopic_Weight	338.06378202
9933991	TPSA	0
53563	Hydrogen_Bond_Acceptor_Count	4
4282	TPSA	48.1
44242317	Tautomer_Count	1
12235162	Undefined_Atom_Stereo_Count	0
91505	Undefined_Atom_Stereo_Count	1
129864651	Total_Formal_Charge	0
122724	Total_Formal_Charge	0
50367	Rotatable_Bond_Count	3
2762892	Structure_Complexity	74.9
5280933	Tautomer_Count	2
22986754	Hydrogen_Bond_Donor_Count	1
737375	Defined_Atom_Stereo_Count	0
905454	Molecular_Weight	247.33
70481	TPSA	29.1
176872	Structure_Complexity	1810
91003779	Undefined_Bond_Stereo_Count	0
29934831	Isotope_Atom_Count	0
123659755	Undefined_Bond_Stereo_Count	0
22754629	Hydrogen_Bond_Acceptor_Count	2
3522273	Exact_Mass	449.30422750
156618074	Covalent_Unit_Count	1
134879127	Non-hydrogen_Atom_Count	23
16219856	Covalent_Unit_Count	2
44258	Non-hydrogen_Atom_Count	26
46839628	Molecular_Weight	179.20
16590	Defined_Atom_Stereo_Count	0
161647	Defined_Bond_Stereo_Count	0
25444	Undefined_Bond_Stereo_Count	0
19738571	Total_Formal_Charge	0
10290754	Total_Formal_Charge	0
332226	Covalent_Unit_Count	1
3955	Undefined_Bond_Stereo_Count	0
60196294	Isotope_Atom_Count	0
86656004	Rotatable_Bond_Count	2
163190000	Non-hydrogen_Atom_Count	50
2723866	Hydrogen_Bond_Donor_Count	6
140799438	Undefined_Atom_Stereo_Count	0
10307909	Non-hydrogen_Atom_Count	14
271218	XLogP3	2.9
1236	Non-hydrogen_Atom_Count	45
5459910	TPSA	38.8
3033984	Mono_Isotopic_Weight	366.13617637
54303301	Exact_Mass	96.093900383
12285878	Structure_Complexity	151
4378561	Molecular_Weight	70.09
12428066	Defined_Bond_Stereo_Count	0
6426740	Isotope_Atom_Count	0
64560	Hydrogen_Bond_Donor_Count	0
289151	Mono_Isotopic_Weight	204.187800766
25590	Tautomer_Count	1
710762	Exact_Mass	270.10044231
1470839	Non-hydrogen_Atom_Count	20
107802	TPSA	57.5
10102486	Undefined_Bond_Stereo_Count	0
659030	Hydrogen_Bond_Acceptor_Count	5
10975450	Undefined_Atom_Stereo_Count	0
998	Isotope_Atom_Count	0
122077	Rotatable_Bond_Count	5
637796	XLogP3	3.1
65773	XLogP3-AA	2
78521	Tautomer_Count	7
136183442	Hydrogen_Bond_Acceptor_Count	8
15797	Undefined_Atom_Stereo_Count	0
79875564	Undefined_Atom_Stereo_Count	0
5275508	Exact_Mass	250.193280068
6440352	Tautomer_Count	228
2437	XLogP3-AA	0.9
88554936	Exact_Mass	112.088815002
141082	Total_Formal_Charge	0
138077	Mono_Isotopic_Weight	109.99386925
14420972	Covalent_Unit_Count	1
90777230	Total_Formal_Charge	0
518455	Structure_Complexity	64.7
486	Structure_Complexity	198
19350299	Exact_Mass	152.99182081
59050128	Molecular_Weight	111.15
17904790	Undefined_Atom_Stereo_Count	0
53232451	Structure_Complexity	513
13860942	TPSA	64.6
8699	Tautomer_Count	10
5481119	Defined_Bond_Stereo_Count	0
5248607	Non-hydrogen_Atom_Count	7
21414	Hydrogen_Bond_Donor_Count	1
21531	Tautomer_Count	1
51063134	Exact_Mass	454.24141202
161815	Defined_Bond_Stereo_Count	0
1268142	Defined_Atom_Stereo_Count	3
49865972	XLogP3-AA	3.6
593919	Non-hydrogen_Atom_Count	10
15982533	Undefined_Bond_Stereo_Count	0
643835	Hydrogen_Bond_Acceptor_Count	0
66708	TPSA	26.3
36552	Structure_Complexity	744
9609	Hydrogen_Bond_Acceptor_Count	1
71950363	Hydrogen_Bond_Acceptor_Count	3
65681	Molecular_Weight	236.27
10410064	Structure_Complexity	686
90487871	Molecular_Weight	111.14
10217663	Molecular_Weight	491.6
87186939	Rotatable_Bond_Count	1
15853020	XLogP3-AA	0.3
71773445	XLogP3	0.3
139586220	TPSA	104
2846	Isotope_Atom_Count	0
87081618	Total_Formal_Charge	0
19736124	Isotope_Atom_Count	0
53316407	Hydrogen_Bond_Donor_Count	0
94960	Hydrogen_Bond_Acceptor_Count	3
4535	Molecular_Weight	265.3
22386086	Structure_Complexity	101
70789197	Defined_Atom_Stereo_Count	9
64950	Rotatable_Bond_Count	1
6918589	Exact_Mass	853.35208467
4924	Covalent_Unit_Count	3
84849	Defined_Bond_Stereo_Count	0
213013	Covalent_Unit_Count	1
45788558	Mono_Isotopic_Weight	97.052763847
542354	Total_Formal_Charge	0
75312	Molecular_Weight	259.43
9548687	Total_Formal_Charge	0
114946	Undefined_Bond_Stereo_Count	0
34852	Defined_Bond_Stereo_Count	0
134694738	Defined_Bond_Stereo_Count	0
91465	XLogP3-AA	9.4
2555	Structure_Complexity	358
10938769	Exact_Mass	422.1260421
448799	Structure_Complexity	770
135449327	Mono_Isotopic_Weight	302.0781827
701841	Hydrogen_Bond_Acceptor_Count	4
9942657	Undefined_Bond_Stereo_Count	0
5207	Isotope_Atom_Count	0
5311398	Rotatable_Bond_Count	9
20429	Isotope_Atom_Count	0
57401296	Molecular_Weight	428.6
2073	Non-hydrogen_Atom_Count	24
72138	Total_Formal_Charge	0
56668931	Mono_Isotopic_Weight	354.20557608
44554	Structure_Complexity	945
100257	Hydrogen_Bond_Donor_Count	1
40496	Total_Formal_Charge	0
9340	Isotope_Atom_Count	0
58247652	Molecular_Weight	97.16
14012	Covalent_Unit_Count	4
59296000	XLogP3-AA	3.8
24853	Covalent_Unit_Count	4
102481651	Covalent_Unit_Count	1
14643175	Undefined_Atom_Stereo_Count	1
72699435	Exact_Mass	277.251798002
89388	Exact_Mass	222.08920892
33728341	Molecular_Weight	113.12
123976	Undefined_Bond_Stereo_Count	0
447966	Tautomer_Count	5
69347719	Molecular_Weight	477.4
20680	Exact_Mass	130.110613074
88520001	Defined_Bond_Stereo_Count	1
27363	Hydrogen_Bond_Acceptor_Count	4
9606	Hydrogen_Bond_Donor_Count	0
226274	Mono_Isotopic_Weight	113.084063974
25912	Total_Formal_Charge	0
31218	Exact_Mass	426.37091007
89398913	Non-hydrogen_Atom_Count	10
82400	Structure_Complexity	414
443947	Hydrogen_Bond_Donor_Count	1
54548956	Molecular_Weight	112.13
4912	TPSA	91.1
71770713	Molecular_Weight	1713.1
5382853	Hydrogen_Bond_Donor_Count	3
7110	Isotope_Atom_Count	0
94715	Molecular_Weight	194.14
15967	XLogP3-AA	5.2
152413	TPSA	209
96775	Isotope_Atom_Count	0
5263	Hydrogen_Bond_Donor_Count	2
16768425	Covalent_Unit_Count	1
27976	Rotatable_Bond_Count	2
36688115	Molecular_Weight	325.5
6433192	Non-hydrogen_Atom_Count	65
7839	Rotatable_Bond_Count	1
68075820	Undefined_Bond_Stereo_Count	0
970	Undefined_Bond_Stereo_Count	0
22221737	Covalent_Unit_Count	2
429	TPSA	155
19762	Hydrogen_Bond_Acceptor_Count	2
6708733	Structure_Complexity	1050
150728341	Non-hydrogen_Atom_Count	7
9554198	Hydrogen_Bond_Acceptor_Count	3
5747670	Tautomer_Count	1
16775060	Structure_Complexity	41.4
96147	Hydrogen_Bond_Acceptor_Count	6
44033	Exact_Mass	367.1081396
5881	Tautomer_Count	2
135497803	Rotatable_Bond_Count	11
54586481	Molecular_Weight	335.28
383414	Total_Formal_Charge	0
15900	Covalent_Unit_Count	1
67431	Undefined_Bond_Stereo_Count	0
9956127	TPSA	117
9740	Exact_Mass	85.016378338
704225	Hydrogen_Bond_Acceptor_Count	7
6433588	Structure_Complexity	262
107963	Undefined_Atom_Stereo_Count	0
3729	Non-hydrogen_Atom_Count	14
17898	Total_Formal_Charge	0
6477182	Hydrogen_Bond_Donor_Count	1
135441757	XLogP3	2.3
61286	Rotatable_Bond_Count	10
65522	Molecular_Weight	163.99
58561829	Total_Formal_Charge	0
5311398	Isotope_Atom_Count	0
58642	Undefined_Atom_Stereo_Count	0
118210118	Total_Formal_Charge	0
9897	Non-hydrogen_Atom_Count	9
56670170	Hydrogen_Bond_Acceptor_Count	7
14516	Defined_Atom_Stereo_Count	0
826843	Structure_Complexity	369
14107712	Covalent_Unit_Count	1
76189844	Structure_Complexity	724
42890	Structure_Complexity	912
123976	XLogP3-AA	7.1
11497646	Isotope_Atom_Count	0
5281055	Exact_Mass	473.12567125
156619387	Exact_Mass	1344.595625
88334	Hydrogen_Bond_Acceptor_Count	16
10243599	Molecular_Weight	245.28
107999	Mono_Isotopic_Weight	315.1138399
22160812	Undefined_Bond_Stereo_Count	0
14354	Mono_Isotopic_Weight	214.074227566
16211409	Hydrogen_Bond_Donor_Count	0
60196319	Mono_Isotopic_Weight	259.1339066
74362	Non-hydrogen_Atom_Count	13
66828839	XLogP3-AA	4.6
144606028	Rotatable_Bond_Count	0
21969	Structure_Complexity	230
5324810	Hydrogen_Bond_Acceptor_Count	3
9015	Molecular_Weight	124.14
19956	Defined_Bond_Stereo_Count	0
4285	Molecular_Weight	327.5
3033867	Defined_Atom_Stereo_Count	4
13682918	TPSA	42.4
8711	Covalent_Unit_Count	1
88332	Isotope_Atom_Count	0
11029782	Defined_Bond_Stereo_Count	0
4369270	Undefined_Atom_Stereo_Count	0
21580808	Mono_Isotopic_Weight	273.12728871
75531	Structure_Complexity	227
27501	Total_Formal_Charge	0
53663591	Exact_Mass	112.063662883
3230	TPSA	74.6
77445309	Hydrogen_Bond_Donor_Count	1
26738	Tautomer_Count	409
122378443	XLogP3-AA	0.6
106	Molecular_Weight	185.07
41781	Undefined_Atom_Stereo_Count	0
118701498	Hydrogen_Bond_Acceptor_Count	3
14781907	Non-hydrogen_Atom_Count	7
5832	Undefined_Atom_Stereo_Count	0
5364628	Isotope_Atom_Count	0
127382	Hydrogen_Bond_Acceptor_Count	5
24705	Rotatable_Bond_Count	4
3035668	TPSA	81.4
19169	Total_Formal_Charge	0
57704514	Molecular_Weight	244.20
16111	Total_Formal_Charge	0
70977832	Mono_Isotopic_Weight	112.088815002
9475	Exact_Mass	131.094628657
222778	Defined_Bond_Stereo_Count	0
87187299	Total_Formal_Charge	0
6537489	Defined_Bond_Stereo_Count	0
96772	Total_Formal_Charge	0
656743	Rotatable_Bond_Count	3
7721	Total_Formal_Charge	0
641240	Structure_Complexity	88.2
72614909	Mono_Isotopic_Weight	96.068748264
57190813	Undefined_Atom_Stereo_Count	0
10173280	Defined_Atom_Stereo_Count	0
24180972	Molecular_Weight	505.3
90613	Mono_Isotopic_Weight	247.12398469
138125	Exact_Mass	84.093900383
129747104	Molecular_Weight	115.13
12962854	Defined_Bond_Stereo_Count	0
7319	Isotope_Atom_Count	0
15533	Defined_Bond_Stereo_Count	0
59091406	XLogP3	2.9
23128	Defined_Atom_Stereo_Count	0
26440	Molecular_Weight	194.27
19348604	Covalent_Unit_Count	1
44442053	Hydrogen_Bond_Donor_Count	2
140996483	Defined_Bond_Stereo_Count	0
15077410	Defined_Atom_Stereo_Count	0
98943	Covalent_Unit_Count	1
156618027	Hydrogen_Bond_Donor_Count	8
89576913	Molecular_Weight	100.12
19040543	Defined_Bond_Stereo_Count	0
20697439	Total_Formal_Charge	0
58420420	Covalent_Unit_Count	1
1264	Structure_Complexity	784
206876	Exact_Mass	273.147726857
86653211	Covalent_Unit_Count	2
14179013	XLogP3	5.7
57568	Mono_Isotopic_Weight	211.157228913
12206947	Rotatable_Bond_Count	0
57399614	Hydrogen_Bond_Donor_Count	2
85551668	Undefined_Atom_Stereo_Count	0
135508048	Covalent_Unit_Count	1
9838284	Structure_Complexity	319
57346808	Defined_Bond_Stereo_Count	0
129210	Rotatable_Bond_Count	6
135491728	Total_Formal_Charge	0
54676860	TPSA	107
6532434	Undefined_Atom_Stereo_Count	0
15442732	Defined_Atom_Stereo_Count	0
3081743	Covalent_Unit_Count	1
91231076	Rotatable_Bond_Count	0
1422	TPSA	45.8
86098790	Non-hydrogen_Atom_Count	14
2366	XLogP3	0.4
25271631	Mono_Isotopic_Weight	319.08099
15593306	Defined_Bond_Stereo_Count	0
118216	Defined_Bond_Stereo_Count	0
130611	Covalent_Unit_Count	1
101663894	TPSA	121
44596665	Hydrogen_Bond_Acceptor_Count	14
126830	Molecular_Weight	226.31
10180	Undefined_Atom_Stereo_Count	0
13770	Mono_Isotopic_Weight	323.1440774
7042	Structure_Complexity	178
66793	Covalent_Unit_Count	1
6871216	Covalent_Unit_Count	1
11915	Undefined_Bond_Stereo_Count	0
11582651	XLogP3-AA	3.7
90206	Mono_Isotopic_Weight	294.20423867
33294	Covalent_Unit_Count	1
12622583	Structure_Complexity	76.2
70335	Tautomer_Count	5
54686261	Structure_Complexity	569
4459	Molecular_Weight	302.4
95391	Tautomer_Count	2
160458	TPSA	40.5
54739	Tautomer_Count	3
25142172	Covalent_Unit_Count	1
124222212	Structure_Complexity	350
101080369	Non-hydrogen_Atom_Count	3
380	Covalent_Unit_Count	1
585133	Structure_Complexity	195
9830317	Isotope_Atom_Count	0
1234	Exact_Mass	484.29372238
965784	XLogP3-AA	4
60155100	Defined_Atom_Stereo_Count	0
17965857	Hydrogen_Bond_Donor_Count	1
3058	Total_Formal_Charge	0
9793689	Defined_Atom_Stereo_Count	0
705472	Exact_Mass	326.07903816
71341	Undefined_Atom_Stereo_Count	2
10008	Structure_Complexity	46.1
6453497	Molecular_Weight	329.8
71309503	Structure_Complexity	151
21954776	Total_Formal_Charge	0
1471775	Mono_Isotopic_Weight	396.12561169
5324275	Structure_Complexity	58.6
16219102	Isotope_Atom_Count	0
3662392	Defined_Bond_Stereo_Count	0
6433198	Exact_Mass	829.2283373
847313	Molecular_Weight	296.35
10116556	Covalent_Unit_Count	1
6435500	Undefined_Atom_Stereo_Count	1
9818024	Non-hydrogen_Atom_Count	22
86614862	Non-hydrogen_Atom_Count	21
157736	Exact_Mass	309.19400834
118596336	Total_Formal_Charge	0
256347	Defined_Bond_Stereo_Count	0
69462477	Isotope_Atom_Count	0
32551	Undefined_Bond_Stereo_Count	0
44442027	Total_Formal_Charge	0
69467	Exact_Mass	114.01393598
44115	Undefined_Bond_Stereo_Count	0
88294	Structure_Complexity	218
439201	Total_Formal_Charge	0
1142	Mono_Isotopic_Weight	893.14690430
95198	TPSA	68.5
10198719	Mono_Isotopic_Weight	243.08301860
88631	Rotatable_Bond_Count	4
122130	Defined_Bond_Stereo_Count	0
1650	TPSA	86.6
71795	Defined_Atom_Stereo_Count	2
2032313	Undefined_Bond_Stereo_Count	0
5963	Undefined_Bond_Stereo_Count	0
47660	Non-hydrogen_Atom_Count	24
4637086	Undefined_Atom_Stereo_Count	0
12452075	Structure_Complexity	146
57416910	Covalent_Unit_Count	1
24250	Isotope_Atom_Count	0
11643997	Total_Formal_Charge	0
24107	Isotope_Atom_Count	0
765378	Structure_Complexity	154
163000376	Total_Formal_Charge	0
99295	Defined_Atom_Stereo_Count	0
94308	Undefined_Bond_Stereo_Count	0
55300514	Covalent_Unit_Count	1
70276605	Hydrogen_Bond_Acceptor_Count	6
57398252	TPSA	114
53885557	Undefined_Bond_Stereo_Count	0
133611834	Defined_Bond_Stereo_Count	1
72199539	Hydrogen_Bond_Acceptor_Count	6
53484290	Total_Formal_Charge	0
461399	Hydrogen_Bond_Acceptor_Count	8
102213	Rotatable_Bond_Count	3
53387035	Defined_Bond_Stereo_Count	0
3901	Exact_Mass	566.36073931
10171348	Defined_Bond_Stereo_Count	1
6100	Undefined_Atom_Stereo_Count	0
118972006	Total_Formal_Charge	0
3055173	Total_Formal_Charge	0
308141	Total_Formal_Charge	0
120057	Undefined_Bond_Stereo_Count	0
640308	Molecular_Weight	95.10
70813	Mono_Isotopic_Weight	216.00674260
19951	Hydrogen_Bond_Donor_Count	0
163460608	Hydrogen_Bond_Acceptor_Count	1
20838085	Hydrogen_Bond_Acceptor_Count	10
521759	Non-hydrogen_Atom_Count	7
21661235	Undefined_Atom_Stereo_Count	1
70620	Defined_Bond_Stereo_Count	0
16109396	Rotatable_Bond_Count	7
14846	Undefined_Bond_Stereo_Count	0
230995	TPSA	26.3
139059561	Covalent_Unit_Count	6
11097730	Exact_Mass	272.9959485
129696858	Defined_Bond_Stereo_Count	0
87524	TPSA	87
15550	Defined_Bond_Stereo_Count	0
10873438	Molecular_Weight	416.6
134819291	Hydrogen_Bond_Acceptor_Count	13
9129	Tautomer_Count	1
11297617	Rotatable_Bond_Count	17
449381	Defined_Atom_Stereo_Count	3
96393	Mono_Isotopic_Weight	126.079312947
9906	Covalent_Unit_Count	1
13073879	Rotatable_Bond_Count	3
46783232	Undefined_Bond_Stereo_Count	0
16395904	Total_Formal_Charge	0
123189	Defined_Atom_Stereo_Count	0
12389634	Defined_Atom_Stereo_Count	0
12591942	Undefined_Atom_Stereo_Count	0
53322430	Structure_Complexity	462
3365553	Defined_Atom_Stereo_Count	0
26249	Molecular_Weight	327.21
13590	Covalent_Unit_Count	1
25982	Undefined_Atom_Stereo_Count	2
13651	TPSA	12.9
126686768	Hydrogen_Bond_Acceptor_Count	2
68207	Mono_Isotopic_Weight	379.06841
60196264	TPSA	556
108026	Undefined_Atom_Stereo_Count	0
6419719	Mono_Isotopic_Weight	101.011292958
108157	Hydrogen_Bond_Donor_Count	1
122188	Hydrogen_Bond_Donor_Count	3
11735999	Hydrogen_Bond_Acceptor_Count	2
11030720	Exact_Mass	196.07355886
304	Total_Formal_Charge	0
240119	XLogP3-AA	4.6
165444336	TPSA	20.2
71555	Total_Formal_Charge	0
20056626	Mono_Isotopic_Weight	242.13002836
56955070	Molecular_Weight	368.4
142749	Undefined_Atom_Stereo_Count	0
87962	Mono_Isotopic_Weight	205.146664230
630355	TPSA	40.5
74002265	Hydrogen_Bond_Donor_Count	0
33094	Covalent_Unit_Count	1
54758307	TPSA	92.1
6247	Structure_Complexity	206
95197	Total_Formal_Charge	0
11040651	Hydrogen_Bond_Acceptor_Count	1
5282545	Isotope_Atom_Count	0
12270070	Mono_Isotopic_Weight	87.068413911
8026	Total_Formal_Charge	0
133066	Total_Formal_Charge	0
136085	Covalent_Unit_Count	1
441364	Undefined_Bond_Stereo_Count	0
98615047	TPSA	17.1
662369	Covalent_Unit_Count	1
49853967	XLogP3-AA	2.9
3512	Undefined_Bond_Stereo_Count	0
87425	Isotope_Atom_Count	0
54340209	Rotatable_Bond_Count	1
70008	Rotatable_Bond_Count	0
6324668	Undefined_Atom_Stereo_Count	0
168884	Mono_Isotopic_Weight	471.16343
50100	Undefined_Bond_Stereo_Count	0
14830385	Molecular_Weight	117.10
70882	Defined_Atom_Stereo_Count	0
11228650	Covalent_Unit_Count	1
12959090	Rotatable_Bond_Count	0
16540	Covalent_Unit_Count	1
21889836	Defined_Bond_Stereo_Count	0
12355883	Structure_Complexity	777
1268185	Isotope_Atom_Count	0
13765439	Undefined_Bond_Stereo_Count	0
92139	Defined_Bond_Stereo_Count	0
23083539	Defined_Atom_Stereo_Count	0
76745	Hydrogen_Bond_Acceptor_Count	9
84020523	Undefined_Atom_Stereo_Count	0
857	Total_Formal_Charge	0
969105	Exact_Mass	310.168127949
83970	Hydrogen_Bond_Acceptor_Count	12
16733482	XLogP3-AA	2.8
57301906	Defined_Atom_Stereo_Count	0
8035	Defined_Bond_Stereo_Count	0
58913258	Isotope_Atom_Count	0
123664524	Total_Formal_Charge	0
37249	Non-hydrogen_Atom_Count	18
3018598	Molecular_Weight	327.40
4568795	Tautomer_Count	1
3073	Undefined_Atom_Stereo_Count	0
107	Undefined_Atom_Stereo_Count	0
25133631	Mono_Isotopic_Weight	380.16485409
443979	Molecular_Weight	388.5
13248583	Non-hydrogen_Atom_Count	8
2146	Defined_Atom_Stereo_Count	0
176872	XLogP3-AA	5.9
72466	Defined_Bond_Stereo_Count	0
5340	Defined_Atom_Stereo_Count	0
13433600	Hydrogen_Bond_Acceptor_Count	3
14511497	Undefined_Bond_Stereo_Count	0
42254	Undefined_Bond_Stereo_Count	2
13327	Non-hydrogen_Atom_Count	25
14434846	Undefined_Bond_Stereo_Count	0
236702	Total_Formal_Charge	0
2822	Isotope_Atom_Count	0
557134	Mono_Isotopic_Weight	112.052429494
11256720	Rotatable_Bond_Count	3
9893571	Rotatable_Bond_Count	8
52948447	Covalent_Unit_Count	1
14846	Hydrogen_Bond_Acceptor_Count	2
9930049	Defined_Bond_Stereo_Count	0
5483624	Defined_Bond_Stereo_Count	0
138911106	Total_Formal_Charge	0
135113	Total_Formal_Charge	0
10778228	Structure_Complexity	355
3249988	Rotatable_Bond_Count	2
5353761	XLogP3-AA	6.9
24639	Tautomer_Count	1
69	Mono_Isotopic_Weight	156.04225873
10563	Isotope_Atom_Count	0
285285	Exact_Mass	377.047153
13452165	Non-hydrogen_Atom_Count	16
165997557	Total_Formal_Charge	0
134976	Molecular_Weight	222.24
73828	TPSA	78.1
2933256	Exact_Mass	303.1389920
7802604	Defined_Atom_Stereo_Count	0
24858870	Covalent_Unit_Count	1
535722	Undefined_Bond_Stereo_Count	0
8670	Molecular_Weight	221.12
60967	Covalent_Unit_Count	1
42240	Exact_Mass	182.05790880
12734620	Exact_Mass	126.104465066
4057	Rotatable_Bond_Count	5
60155182	Undefined_Bond_Stereo_Count	0
64463	Undefined_Bond_Stereo_Count	0
61585	Undefined_Atom_Stereo_Count	0
3018598	XLogP3	0.2
63255	Exact_Mass	288.07103389
18762609	TPSA	38.7
442972	XLogP3-AA	3.5
5544	Isotope_Atom_Count	0
40438	Isotope_Atom_Count	0
6438877	Undefined_Bond_Stereo_Count	0
1337	Defined_Bond_Stereo_Count	0
46861540	Hydrogen_Bond_Acceptor_Count	8
5317111	Structure_Complexity	457
53320156	Undefined_Bond_Stereo_Count	0
11752	Non-hydrogen_Atom_Count	8
711239	Defined_Atom_Stereo_Count	0
23662139	Exact_Mass	138.02928836
4618	Undefined_Atom_Stereo_Count	1
12107	Exact_Mass	149.084063974
135492976	Hydrogen_Bond_Acceptor_Count	2
119097281	Covalent_Unit_Count	1
60396	Rotatable_Bond_Count	2
53315139	Total_Formal_Charge	0
55142	Exact_Mass	265.110278721
22057009	Hydrogen_Bond_Acceptor_Count	4
8692	XLogP3	0.2
24827	Non-hydrogen_Atom_Count	9
154214	Defined_Atom_Stereo_Count	2
1335	Exact_Mass	133.07389321
91596	Tautomer_Count	2
625239	XLogP3-AA	3.6
8217	Hydrogen_Bond_Acceptor_Count	0
23674889	Hydrogen_Bond_Acceptor_Count	3
12986478	Exact_Mass	115.063328530
57409556	Defined_Atom_Stereo_Count	3
889896	Mono_Isotopic_Weight	304.121177757
65106	Undefined_Atom_Stereo_Count	0
24774912	Undefined_Bond_Stereo_Count	0
13037934	Total_Formal_Charge	0
19352565	Hydrogen_Bond_Acceptor_Count	1
15580	Undefined_Bond_Stereo_Count	0
866400	Hydrogen_Bond_Donor_Count	1
11473	Undefined_Atom_Stereo_Count	0
60396	Isotope_Atom_Count	0
115076	Undefined_Atom_Stereo_Count	1
145994360	Covalent_Unit_Count	1
139977	Exact_Mass	151.099714038
2723856	Non-hydrogen_Atom_Count	6
142403638	Defined_Atom_Stereo_Count	0
136120826	Undefined_Bond_Stereo_Count	0
4569	Molecular_Weight	452.13
67482753	TPSA	59.2
11122452	XLogP3	0.4
11723	Rotatable_Bond_Count	1
71321	Mono_Isotopic_Weight	309.0767857
165363357	Undefined_Atom_Stereo_Count	0
13950368	Rotatable_Bond_Count	3
16211849	Molecular_Weight	206.27
197712	Total_Formal_Charge	0
54587596	Non-hydrogen_Atom_Count	32
65216	Exact_Mass	422.1608497
14097	Undefined_Bond_Stereo_Count	0
12774540	Covalent_Unit_Count	1
12375987	Mono_Isotopic_Weight	115.063328530
3751373	XLogP3-AA	0.1
7567	Defined_Bond_Stereo_Count	0
107639	Structure_Complexity	0
37956	Defined_Bond_Stereo_Count	0
24868320	Hydrogen_Bond_Acceptor_Count	7
9863552	Non-hydrogen_Atom_Count	26
21766189	Defined_Atom_Stereo_Count	0
23617864	Hydrogen_Bond_Acceptor_Count	2
46943429	Exact_Mass	527.23263824
23694671	Isotope_Atom_Count	0
35076	Non-hydrogen_Atom_Count	19
88283211	Rotatable_Bond_Count	3
77232	Undefined_Atom_Stereo_Count	0
101973938	Mono_Isotopic_Weight	411.24095853
7957	Rotatable_Bond_Count	4
134692058	Covalent_Unit_Count	1
3004	Non-hydrogen_Atom_Count	40
12389	Undefined_Atom_Stereo_Count	0
67568	Defined_Atom_Stereo_Count	0
355	Covalent_Unit_Count	1
11521066	Mono_Isotopic_Weight	88.052429494
38252	Total_Formal_Charge	0
6674	Covalent_Unit_Count	1
17880	Defined_Bond_Stereo_Count	0
137512	Covalent_Unit_Count	1
130324566	Total_Formal_Charge	0
643208	Rotatable_Bond_Count	6
318280	Total_Formal_Charge	0
265810	Hydrogen_Bond_Donor_Count	2
51380890	Mono_Isotopic_Weight	275.0257161
91168430	Defined_Bond_Stereo_Count	0
51997	Tautomer_Count	1
16724	Total_Formal_Charge	0
12922658	Mono_Isotopic_Weight	581.35638220
5282485	Structure_Complexity	460
13379149	Tautomer_Count	1
5280497	Non-hydrogen_Atom_Count	25
31416	Defined_Bond_Stereo_Count	0
721137	Exact_Mass	292.0502366
13586	Rotatable_Bond_Count	1
71306795	Tautomer_Count	1001
10286834	Undefined_Atom_Stereo_Count	0
75987092	Hydrogen_Bond_Acceptor_Count	5
2778	Non-hydrogen_Atom_Count	49
13932	Hydrogen_Bond_Donor_Count	2
267898	Molecular_Weight	204.23
134854766	Rotatable_Bond_Count	0
93550	Molecular_Weight	273.28
17043	Rotatable_Bond_Count	12
54526114	Hydrogen_Bond_Donor_Count	0
6439522	Defined_Bond_Stereo_Count	1
95093	Undefined_Bond_Stereo_Count	0
12452686	Defined_Atom_Stereo_Count	0
11298500	Undefined_Atom_Stereo_Count	0
58936	Exact_Mass	289.1345753
19040	Defined_Bond_Stereo_Count	0
11630874	Exact_Mass	305.01580707
70580528	Structure_Complexity	773
12348	Hydrogen_Bond_Acceptor_Count	2
19761154	Total_Formal_Charge	0
57340467	Molecular_Weight	344.3
159952	Covalent_Unit_Count	2
18732	Molecular_Weight	188.09
10775424	Rotatable_Bond_Count	0
9969613	Defined_Bond_Stereo_Count	0
22833307	Undefined_Atom_Stereo_Count	0
198747	Structure_Complexity	409
8103	Undefined_Atom_Stereo_Count	0
54582078	Mono_Isotopic_Weight	359.13150553
5311096	Tautomer_Count	2
98790	Molecular_Weight	232.10
40240	Undefined_Atom_Stereo_Count	0
217049	Undefined_Atom_Stereo_Count	0
101616201	Defined_Bond_Stereo_Count	0
1342	Tautomer_Count	1
64655	Tautomer_Count	1
74080	Molecular_Weight	106.13
11639859	Hydrogen_Bond_Donor_Count	1
6918546	Defined_Atom_Stereo_Count	0
186148	Undefined_Atom_Stereo_Count	0
25067547	Defined_Atom_Stereo_Count	4
11966129	Exact_Mass	943.16255437
1561	Undefined_Atom_Stereo_Count	0
5360349	Rotatable_Bond_Count	0
4564493	Tautomer_Count	8
5282768	Covalent_Unit_Count	1
5572	Hydrogen_Bond_Donor_Count	1
8226	Mono_Isotopic_Weight	339.19467705
26181	Total_Formal_Charge	0
9410	Molecular_Weight	303.8
10065	Isotope_Atom_Count	0
123983	Defined_Atom_Stereo_Count	0
18923031	Structure_Complexity	82.1
10510831	Defined_Bond_Stereo_Count	0
89220373	Hydrogen_Bond_Acceptor_Count	12
67636	TPSA	62.8
23424086	Rotatable_Bond_Count	1
11074101	Molecular_Weight	185.69
23663996	Non-hydrogen_Atom_Count	42
571982	Undefined_Bond_Stereo_Count	0
24848403	Mono_Isotopic_Weight	321.1971756
56859	Mono_Isotopic_Weight	320.20999276
126969105	Non-hydrogen_Atom_Count	33
19013328	TPSA	38.9
25271829	Covalent_Unit_Count	1
54178	Total_Formal_Charge	0
107758	TPSA	308
52148	Defined_Bond_Stereo_Count	0
6975516	Covalent_Unit_Count	1
13754	Tautomer_Count	3
85237	Undefined_Bond_Stereo_Count	0
55290205	Hydrogen_Bond_Acceptor_Count	2
124770289	Defined_Atom_Stereo_Count	14
24685	Non-hydrogen_Atom_Count	13
13854	Non-hydrogen_Atom_Count	7
4369233	Structure_Complexity	551
17630	Isotope_Atom_Count	0
4206	Mono_Isotopic_Weight	368.25627424
68236	Mono_Isotopic_Weight	161.047678466
315201	Molecular_Weight	112.13
4380970	Undefined_Bond_Stereo_Count	0
28003	Defined_Bond_Stereo_Count	0
50397	Undefined_Atom_Stereo_Count	1
192794	Structure_Complexity	62.7
53920622	Defined_Bond_Stereo_Count	0
13231	Hydrogen_Bond_Donor_Count	1
1173	TPSA	66.8
23934560	XLogP3-AA	2.6
90614	Covalent_Unit_Count	1
95883	Mono_Isotopic_Weight	161.06880783
91726	Rotatable_Bond_Count	4
123854	Non-hydrogen_Atom_Count	34
13592249	Structure_Complexity	30.7
40428945	Undefined_Bond_Stereo_Count	0
7611	Hydrogen_Bond_Donor_Count	0
9816981	Exact_Mass	274.09872823
84621	Defined_Atom_Stereo_Count	0
29805	Total_Formal_Charge	0
135410916	Isotope_Atom_Count	0
135988	Hydrogen_Bond_Donor_Count	0
580566	Isotope_Atom_Count	0
130554629	Undefined_Bond_Stereo_Count	0
11775	Isotope_Atom_Count	0
49857317	Mono_Isotopic_Weight	394.15535203
4915	XLogP3	0.1
26462	Total_Formal_Charge	0
147097491	Undefined_Bond_Stereo_Count	0
3231	Defined_Atom_Stereo_Count	0
22463764	Defined_Atom_Stereo_Count	0
23631116	Covalent_Unit_Count	1
694041	Molecular_Weight	294.30
169536	Undefined_Bond_Stereo_Count	0
6335436	Defined_Atom_Stereo_Count	4
6447131	Hydrogen_Bond_Donor_Count	2
4927	Defined_Bond_Stereo_Count	0
14127	Structure_Complexity	195
99025	Mono_Isotopic_Weight	228.0454260
897177	Molecular_Weight	349.4
6537490	Covalent_Unit_Count	1
53687318	Undefined_Bond_Stereo_Count	0
3086686	Hydrogen_Bond_Acceptor_Count	4
22318	Defined_Atom_Stereo_Count	0
57557625	Defined_Bond_Stereo_Count	5
18327244	Covalent_Unit_Count	1
20072996	Undefined_Bond_Stereo_Count	0
10329273	Hydrogen_Bond_Donor_Count	1
9811	Hydrogen_Bond_Acceptor_Count	2
696	Structure_Complexity	220
145281060	Total_Formal_Charge	0
70801	TPSA	43.8
87468088	Isotope_Atom_Count	0
940066	Isotope_Atom_Count	0
57915	Structure_Complexity	279
36159	Covalent_Unit_Count	1
45738	TPSA	9.2
68392349	Defined_Bond_Stereo_Count	0
140	Structure_Complexity	624
45484135	Rotatable_Bond_Count	12
8135	Defined_Atom_Stereo_Count	0
4020	Defined_Atom_Stereo_Count	0
18521191	Isotope_Atom_Count	0
524955	Mono_Isotopic_Weight	106.078250319
9893	Covalent_Unit_Count	1
14294229	Defined_Bond_Stereo_Count	0
135483437	Defined_Bond_Stereo_Count	0
81364	Tautomer_Count	1
57394	Total_Formal_Charge	0
674	Exact_Mass	45.057849228
137349957	Structure_Complexity	1730
3221	Isotope_Atom_Count	0
143047391	Undefined_Bond_Stereo_Count	0
6917655	XLogP3-AA	4
33	Molecular_Weight	78.50
439551	Non-hydrogen_Atom_Count	25
12383661	Mono_Isotopic_Weight	103.063328530
23663959	Isotope_Atom_Count	0
161830	Non-hydrogen_Atom_Count	10
2367	Total_Formal_Charge	0
15979	Mono_Isotopic_Weight	268.313001276
102175	Covalent_Unit_Count	1
5582	Non-hydrogen_Atom_Count	27
110821	Total_Formal_Charge	0
4604180	Defined_Atom_Stereo_Count	0
68316842	Isotope_Atom_Count	0
261075	Rotatable_Bond_Count	4
9848869	Total_Formal_Charge	0
14851	Exact_Mass	142.0185425
16138787	Mono_Isotopic_Weight	1131.32532709
54316980	Total_Formal_Charge	0
54130	Molecular_Weight	260.33
72916	Total_Formal_Charge	0
71453749	XLogP3-AA	3.6
225674	Hydrogen_Bond_Donor_Count	1
28080	Total_Formal_Charge	0
1549522	Covalent_Unit_Count	1
4413	Defined_Bond_Stereo_Count	0
19089	Hydrogen_Bond_Donor_Count	0
57992081	Defined_Atom_Stereo_Count	0
140653	Molecular_Weight	96.17
91688	XLogP3-AA	5.1
367979	Defined_Bond_Stereo_Count	0
53627428	Total_Formal_Charge	0
28700	Total_Formal_Charge	0
46700744	Hydrogen_Bond_Donor_Count	4
3032600	Defined_Bond_Stereo_Count	0
57131009	Hydrogen_Bond_Donor_Count	0
3739682	Non-hydrogen_Atom_Count	24
9878109	Exact_Mass	243.088469
55286286	Hydrogen_Bond_Donor_Count	1
4992761	Undefined_Atom_Stereo_Count	0
61850	Total_Formal_Charge	0
9098	Non-hydrogen_Atom_Count	11
5391	Covalent_Unit_Count	1
3323161	Isotope_Atom_Count	0
9847219	Covalent_Unit_Count	1
52921770	Mono_Isotopic_Weight	296.271530387
88462	Mono_Isotopic_Weight	230.11676108
7200	Defined_Atom_Stereo_Count	0
74735	Undefined_Atom_Stereo_Count	0
117891679	Rotatable_Bond_Count	1
14537	Rotatable_Bond_Count	0
31657	Non-hydrogen_Atom_Count	14
155893809	Defined_Bond_Stereo_Count	0
77311	Mono_Isotopic_Weight	126.9955546
7422	Molecular_Weight	137.14
144369145	Mono_Isotopic_Weight	98.048012819
33184	Mono_Isotopic_Weight	74.048012819
9804302	Non-hydrogen_Atom_Count	30
172309	Molecular_Weight	304.31
252198	TPSA	58.4
22022636	Undefined_Atom_Stereo_Count	0
72200865	Mono_Isotopic_Weight	593.31615210
83788	Exact_Mass	175.08445790
59043	Molecular_Weight	252.11
5486204	TPSA	0
43234	Hydrogen_Bond_Donor_Count	0
70732	TPSA	33.1
25077533	Hydrogen_Bond_Acceptor_Count	16
77715	Defined_Bond_Stereo_Count	0
134812042	Mono_Isotopic_Weight	580.15345715
354009	Undefined_Bond_Stereo_Count	1
65774	Defined_Atom_Stereo_Count	0
5388993	Rotatable_Bond_Count	10
9871092	Mono_Isotopic_Weight	513.00175130
34213	Defined_Atom_Stereo_Count	0
10473927	Hydrogen_Bond_Donor_Count	1
63624	TPSA	90.8
44395117	Non-hydrogen_Atom_Count	31
26979	Isotope_Atom_Count	0
3533	Molecular_Weight	219.31
22277879	Hydrogen_Bond_Donor_Count	0
10161305	Hydrogen_Bond_Donor_Count	2
4037	Undefined_Bond_Stereo_Count	0
27596	Hydrogen_Bond_Acceptor_Count	2
11455910	Defined_Atom_Stereo_Count	0
69052440	Hydrogen_Bond_Donor_Count	8
54887	Hydrogen_Bond_Donor_Count	4
23719520	Rotatable_Bond_Count	2
9023	Defined_Bond_Stereo_Count	0
71562042	Hydrogen_Bond_Acceptor_Count	9
14402033	Total_Formal_Charge	0
22002061	Covalent_Unit_Count	1
9576814	Hydrogen_Bond_Donor_Count	2
136582	Undefined_Bond_Stereo_Count	0
102592515	Rotatable_Bond_Count	0
2471	TPSA	127
21542775	Hydrogen_Bond_Acceptor_Count	2
91747288	Isotope_Atom_Count	0
6509979	Isotope_Atom_Count	0
242426	Hydrogen_Bond_Donor_Count	2
529435	Non-hydrogen_Atom_Count	13
164073	Isotope_Atom_Count	0
134837989	Hydrogen_Bond_Donor_Count	1
6992084	Undefined_Atom_Stereo_Count	0
74857	Exact_Mass	72.068748264
83119	Hydrogen_Bond_Donor_Count	2
89976630	XLogP3-AA	1
24780352	Defined_Bond_Stereo_Count	0
10953798	Total_Formal_Charge	0
58093	Hydrogen_Bond_Donor_Count	1
11809740	Undefined_Atom_Stereo_Count	0
153627081	Structure_Complexity	70.1
23380334	Exact_Mass	102.031694049
71307072	Undefined_Atom_Stereo_Count	0
53932862	Defined_Atom_Stereo_Count	0
1422	Non-hydrogen_Atom_Count	27
22160812	Structure_Complexity	64.6
3001376	Rotatable_Bond_Count	13
13586830	Undefined_Atom_Stereo_Count	0
12089	Exact_Mass	152.058577502
8288	Isotope_Atom_Count	0
115171944	Hydrogen_Bond_Donor_Count	0
16213698	Defined_Atom_Stereo_Count	18
23277877	Total_Formal_Charge	0
10282517	Hydrogen_Bond_Donor_Count	2
89164217	Undefined_Atom_Stereo_Count	0
8163	TPSA	17.1
71602	Non-hydrogen_Atom_Count	13
12242810	Defined_Atom_Stereo_Count	3
53316391	Molecular_Weight	386.5
23668195	Molecular_Weight	150.89
8973	TPSA	107
73330464	Tautomer_Count	3
6440728	Hydrogen_Bond_Acceptor_Count	3
82711397	Molecular_Weight	118.13
12607503	Defined_Bond_Stereo_Count	0
21604849	Mono_Isotopic_Weight	110.073164938
84063979	Covalent_Unit_Count	1
11027582	Rotatable_Bond_Count	6
5282387	Total_Formal_Charge	0
16220015	Hydrogen_Bond_Donor_Count	1
14480677	Hydrogen_Bond_Donor_Count	2
44123300	Covalent_Unit_Count	1
6917787	Rotatable_Bond_Count	4
70986	Mono_Isotopic_Weight	228.01498
517313	Total_Formal_Charge	0
67411	Tautomer_Count	1
562676	XLogP3-AA	2.6
146158182	Rotatable_Bond_Count	4
5146	Exact_Mass	124.052429494
5362772	Mono_Isotopic_Weight	101.084063974
121207552	Undefined_Atom_Stereo_Count	0
15967	Exact_Mass	277.204179104
12818200	Mono_Isotopic_Weight	366.16132849
53394675	Molecular_Weight	285.23
22718889	Exact_Mass	114.104465066
44577706	Undefined_Atom_Stereo_Count	0
22013147	Defined_Atom_Stereo_Count	0
57415441	Hydrogen_Bond_Donor_Count	1
5360315	Tautomer_Count	1
11601669	Total_Formal_Charge	0
643732	Rotatable_Bond_Count	3
517232	Non-hydrogen_Atom_Count	5
3425	XLogP3-AA	2.2
23516057	Defined_Atom_Stereo_Count	0
77999	Exact_Mass	357.11471265
19687	Hydrogen_Bond_Acceptor_Count	8
6266	Covalent_Unit_Count	1
138971	Hydrogen_Bond_Acceptor_Count	0
13878035	Non-hydrogen_Atom_Count	28
8073	Exact_Mass	88.052429494
45484184	Defined_Atom_Stereo_Count	0
17166	Exact_Mass	140.120115130
226831	Structure_Complexity	38.5
139179563	TPSA	18.5
71530	Undefined_Atom_Stereo_Count	1
74764517	Rotatable_Bond_Count	5
57441855	XLogP3-AA	3.9
14909259	Undefined_Bond_Stereo_Count	0
3038481	Hydrogen_Bond_Acceptor_Count	11
151476	Defined_Bond_Stereo_Count	0
10167713	Undefined_Bond_Stereo_Count	0
48491	Total_Formal_Charge	1
6084	Defined_Atom_Stereo_Count	0
94987	Total_Formal_Charge	0
14868106	Rotatable_Bond_Count	1
23968	Covalent_Unit_Count	1
4143	Structure_Complexity	552
18467	Covalent_Unit_Count	1
27287	Undefined_Bond_Stereo_Count	0
3829279	Covalent_Unit_Count	1
903755	Undefined_Bond_Stereo_Count	0
137278711	Defined_Bond_Stereo_Count	0
13506	Tautomer_Count	3
444021	Mono_Isotopic_Weight	766.16483618
18715987	Undefined_Bond_Stereo_Count	0
8123	Defined_Atom_Stereo_Count	0
266	Hydrogen_Bond_Donor_Count	2
31310	Molecular_Weight	692.8
64	Total_Formal_Charge	0
13584550	TPSA	17.1
145721938	Covalent_Unit_Count	2
3085106	Covalent_Unit_Count	2
57283625	Hydrogen_Bond_Donor_Count	1
8412	Defined_Bond_Stereo_Count	0
564980	Exact_Mass	177.090211983
71306319	Defined_Atom_Stereo_Count	14
3001	Hydrogen_Bond_Donor_Count	0
60336	Defined_Atom_Stereo_Count	0
75354	Non-hydrogen_Atom_Count	27
89143818	Isotope_Atom_Count	0
17134	Undefined_Atom_Stereo_Count	0
118253852	Rotatable_Bond_Count	5
57318251	Defined_Atom_Stereo_Count	0
263	Defined_Bond_Stereo_Count	0
44427888	Total_Formal_Charge	2
95997	Undefined_Bond_Stereo_Count	0
6918092	Undefined_Atom_Stereo_Count	0
126514322	XLogP3-AA	0.2
400010	Rotatable_Bond_Count	1
4739	Isotope_Atom_Count	0
25758	Undefined_Atom_Stereo_Count	0
136762	Hydrogen_Bond_Donor_Count	1
5311032	Defined_Atom_Stereo_Count	5
10612	Rotatable_Bond_Count	3
178795	Hydrogen_Bond_Acceptor_Count	6
23688359	Undefined_Atom_Stereo_Count	0
524266	Undefined_Atom_Stereo_Count	0
118052411	Total_Formal_Charge	0
84693	Covalent_Unit_Count	1
72385	Covalent_Unit_Count	1
7057919	Defined_Bond_Stereo_Count	0
16211283	Exact_Mass	396.1815851
13068894	Defined_Atom_Stereo_Count	0
60196437	Covalent_Unit_Count	1
16139605	Molecular_Weight	3752.1
53940807	Hydrogen_Bond_Acceptor_Count	0
24865390	Molecular_Weight	295.4
53643410	Defined_Bond_Stereo_Count	0
5587	Undefined_Atom_Stereo_Count	0
68432538	Molecular_Weight	100.12
53643899	Mono_Isotopic_Weight	158.05790880
81749	Tautomer_Count	5
13789	Hydrogen_Bond_Acceptor_Count	3
9161	Undefined_Atom_Stereo_Count	0
12306254	Non-hydrogen_Atom_Count	7
18517118	Hydrogen_Bond_Donor_Count	1
161154	Undefined_Bond_Stereo_Count	0
656668	Structure_Complexity	933
126975912	Covalent_Unit_Count	1
24041599	Exact_Mass	292.09468823
37144	Defined_Atom_Stereo_Count	0
498142	Isotope_Atom_Count	0
439888	TPSA	40.5
4518	TPSA	113
18879	Undefined_Atom_Stereo_Count	1
16211656	Undefined_Bond_Stereo_Count	0
402875	Defined_Bond_Stereo_Count	0
25166913	Isotope_Atom_Count	0
31269	Exact_Mass	116.03342538
44407558	Exact_Mass	289.04558772
33254	Non-hydrogen_Atom_Count	24
73977874	Mono_Isotopic_Weight	110.073164938
70684	Rotatable_Bond_Count	2
227456	Defined_Atom_Stereo_Count	0
4217966	Undefined_Atom_Stereo_Count	1
123251285	Defined_Bond_Stereo_Count	0
53407229	Molecular_Weight	101.15
22858512	Exact_Mass	121.917853
7551	Mono_Isotopic_Weight	257.0010339
53322430	Hydrogen_Bond_Acceptor_Count	6
87821824	Exact_Mass	118.062994177
135492	Rotatable_Bond_Count	3
6438373	TPSA	142
128682	Exact_Mass	315.173547683
151173	Exact_Mass	213.07495584
284995	Undefined_Bond_Stereo_Count	0
11688573	Hydrogen_Bond_Acceptor_Count	4
1930	Total_Formal_Charge	0
9870785	Molecular_Weight	505.0
14227	Tautomer_Count	1
153664867	Total_Formal_Charge	0
437721	Isotope_Atom_Count	0
9971	Mono_Isotopic_Weight	155.03825660
25019940	Defined_Atom_Stereo_Count	2
107737	Hydrogen_Bond_Donor_Count	7
135448133	Molecular_Weight	877.0
54	Undefined_Bond_Stereo_Count	0
59750537	XLogP3-AA	1
3117	Defined_Atom_Stereo_Count	0
28166	Defined_Atom_Stereo_Count	0
12441662	Defined_Atom_Stereo_Count	0
123799979	Rotatable_Bond_Count	0
24802493	Non-hydrogen_Atom_Count	43
9526	Undefined_Bond_Stereo_Count	0
145984	Exact_Mass	228.07462149
54370822	Non-hydrogen_Atom_Count	7
70177	Hydrogen_Bond_Donor_Count	2
66489873	Undefined_Bond_Stereo_Count	0
4149208	Hydrogen_Bond_Acceptor_Count	2
68717	TPSA	56.8
53364498	Undefined_Bond_Stereo_Count	0
21895922	Undefined_Atom_Stereo_Count	2
3480590	Structure_Complexity	467
119507	Hydrogen_Bond_Donor_Count	2
905	Non-hydrogen_Atom_Count	12
11790	Undefined_Atom_Stereo_Count	0
73330464	Hydrogen_Bond_Acceptor_Count	6
102452879	Rotatable_Bond_Count	2
137944176	Total_Formal_Charge	0
6992788	Hydrogen_Bond_Donor_Count	1
4451502	Mono_Isotopic_Weight	88.016043985
45277565	TPSA	192
22175060	Mono_Isotopic_Weight	117.078978594
66509024	Mono_Isotopic_Weight	546.09913941
5367854	Undefined_Bond_Stereo_Count	0
53426727	Covalent_Unit_Count	1
12835056	Total_Formal_Charge	0
14073	Defined_Bond_Stereo_Count	0
701621	XLogP3-AA	3.1
6238	Hydrogen_Bond_Acceptor_Count	3
18618	Mono_Isotopic_Weight	1076.49492682
11954350	Structure_Complexity	593
71584162	Defined_Atom_Stereo_Count	0
591873	Isotope_Atom_Count	0
91170688	Total_Formal_Charge	0
2496	Tautomer_Count	2
61996	Defined_Atom_Stereo_Count	0
10934	Non-hydrogen_Atom_Count	7
3081387	Hydrogen_Bond_Acceptor_Count	18
90990	Non-hydrogen_Atom_Count	7
80037	Undefined_Bond_Stereo_Count	0
131162679	Undefined_Atom_Stereo_Count	2
656495	Structure_Complexity	638
15942715	Hydrogen_Bond_Donor_Count	1
26191	TPSA	49.7
544861	Isotope_Atom_Count	0
46205408	Hydrogen_Bond_Acceptor_Count	8
123544257	XLogP3-AA	2.2
133732	Undefined_Bond_Stereo_Count	0
139626115	Rotatable_Bond_Count	1
446317	Isotope_Atom_Count	0
48754	Undefined_Atom_Stereo_Count	1
130608736	Undefined_Atom_Stereo_Count	2
90394	Hydrogen_Bond_Donor_Count	3
6263274	Isotope_Atom_Count	0
4989215	Defined_Atom_Stereo_Count	0
78438	Exact_Mass	308.10785017
641248	Molecular_Weight	100.16
13978	Hydrogen_Bond_Acceptor_Count	3
10284	Total_Formal_Charge	0
13235324	Structure_Complexity	179
165615710	Exact_Mass	112.088815002
91819969	Mono_Isotopic_Weight	923.48784986
29976098	Mono_Isotopic_Weight	336.1856079
11517780	Non-hydrogen_Atom_Count	29
78072498	Exact_Mass	331.168462302
129834519	Undefined_Atom_Stereo_Count	5
163988282	Non-hydrogen_Atom_Count	8
55289898	Total_Formal_Charge	0
154474487	Undefined_Bond_Stereo_Count	0
83478541	TPSA	26.3
3079842	Molecular_Weight	298.16
161272	Isotope_Atom_Count	0
21867906	Covalent_Unit_Count	2
9642	Mono_Isotopic_Weight	494.21160968
290807	Defined_Bond_Stereo_Count	0
21497	Undefined_Atom_Stereo_Count	0
16040270	XLogP3-AA	2.6
54608508	Undefined_Atom_Stereo_Count	0
89683805	Hydrogen_Bond_Donor_Count	3
21443942	Mono_Isotopic_Weight	113.058911855
6918649	Undefined_Bond_Stereo_Count	0
20039106	Non-hydrogen_Atom_Count	7
10881	Exact_Mass	106.041864811
62369	Isotope_Atom_Count	0
51762	Molecular_Weight	326.31
2386	Mono_Isotopic_Weight	334.16544261
89036	Total_Formal_Charge	0
84440	Hydrogen_Bond_Donor_Count	0
7107	TPSA	9.2
316473	Isotope_Atom_Count	0
71450704	XLogP3-AA	2
720561	Mono_Isotopic_Weight	209.0468230
40468	Non-hydrogen_Atom_Count	17
68646	Mono_Isotopic_Weight	229.1233420
98181817	Covalent_Unit_Count	1
398731	Hydrogen_Bond_Donor_Count	1
15402	Defined_Bond_Stereo_Count	0
100937012	Undefined_Bond_Stereo_Count	0
25059	Hydrogen_Bond_Donor_Count	1
57370084	Rotatable_Bond_Count	4
53323739	Isotope_Atom_Count	0
6442439	Covalent_Unit_Count	1
975	Hydrogen_Bond_Acceptor_Count	16
4612	TPSA	90.1
17827145	TPSA	24.4
70689792	Hydrogen_Bond_Acceptor_Count	7
5282241	Hydrogen_Bond_Donor_Count	6
24831714	Hydrogen_Bond_Donor_Count	3
547686	Undefined_Atom_Stereo_Count	0
91585	XLogP3-AA	0.2
76365	Defined_Atom_Stereo_Count	0
65701	Exact_Mass	295.204847810
23466227	TPSA	33.1
25143624	XLogP3-AA	2.5
10701	Total_Formal_Charge	0
201	Structure_Complexity	1160
1787910	Undefined_Bond_Stereo_Count	0
53765848	Defined_Bond_Stereo_Count	0
37521	Isotope_Atom_Count	0
25150753	Molecular_Weight	356.4
49342	Non-hydrogen_Atom_Count	16
11354711	Defined_Atom_Stereo_Count	13
6603697	Mono_Isotopic_Weight	101.047678466
7868	Defined_Bond_Stereo_Count	0
11040399	Defined_Bond_Stereo_Count	1
137138801	Undefined_Atom_Stereo_Count	0
76286993	TPSA	29
129009973	Structure_Complexity	609
14815788	TPSA	12
191120	TPSA	43.4
127527	Undefined_Atom_Stereo_Count	0
537142	Undefined_Atom_Stereo_Count	2
40652	Non-hydrogen_Atom_Count	25
129669570	TPSA	125
13848133	Mono_Isotopic_Weight	118.05646950
135409438	Defined_Atom_Stereo_Count	0
33606	XLogP3	3.4
12871376	Hydrogen_Bond_Donor_Count	0
120393	Defined_Bond_Stereo_Count	0
65506	Exact_Mass	536.30172086
295275	Defined_Bond_Stereo_Count	0
6327428	Undefined_Atom_Stereo_Count	0
5479	Undefined_Bond_Stereo_Count	0
11194308	Structure_Complexity	72.9
12242919	TPSA	0
529281	Structure_Complexity	109
6438135	Structure_Complexity	1280
87478594	TPSA	49.3
6914821	Isotope_Atom_Count	0
4870	Isotope_Atom_Count	0
6977135	Non-hydrogen_Atom_Count	14
12441297	Covalent_Unit_Count	1
89976630	Undefined_Bond_Stereo_Count	0
550525	Defined_Bond_Stereo_Count	0
139336513	XLogP3-AA	1.3
73675	Rotatable_Bond_Count	4
5702044	Non-hydrogen_Atom_Count	40
12218833	Covalent_Unit_Count	1
9863672	Total_Formal_Charge	0
98181815	Total_Formal_Charge	0
69507	Rotatable_Bond_Count	7
4731	XLogP3	2.1
115140	Non-hydrogen_Atom_Count	21
105144	Undefined_Atom_Stereo_Count	0
151182	Structure_Complexity	285
21880519	Mono_Isotopic_Weight	144.151415257
79510	Undefined_Bond_Stereo_Count	0
23892	TPSA	104
59709	Covalent_Unit_Count	5
12309518	TPSA	45.6
740525	Isotope_Atom_Count	0
67518639	Hydrogen_Bond_Donor_Count	5
86488	Undefined_Bond_Stereo_Count	0
4112	Total_Formal_Charge	0
1490119	Defined_Bond_Stereo_Count	0
440266	Mono_Isotopic_Weight	153.078978594
12953697	Non-hydrogen_Atom_Count	6
74826	Mono_Isotopic_Weight	183.0581549
6431	Isotope_Atom_Count	0
10499446	Isotope_Atom_Count	0
16134410	Covalent_Unit_Count	1
57174031	Defined_Bond_Stereo_Count	0
15330	Covalent_Unit_Count	1
9775	Defined_Atom_Stereo_Count	0
134715447	Molecular_Weight	590.7
9474	Mono_Isotopic_Weight	150.00926271
544627	Undefined_Atom_Stereo_Count	0
11505444	Molecular_Weight	617.8
446157	Hydrogen_Bond_Donor_Count	3
13290	Defined_Atom_Stereo_Count	0
638019	Mono_Isotopic_Weight	386.354866087
17954	Mono_Isotopic_Weight	285.13649347
564980	Hydrogen_Bond_Acceptor_Count	3
6369388	Rotatable_Bond_Count	3
87527569	Hydrogen_Bond_Donor_Count	3
11341	Hydrogen_Bond_Acceptor_Count	2
7004	Isotope_Atom_Count	0
1810203	XLogP3-AA	0.9
705978	Isotope_Atom_Count	0
729483	Rotatable_Bond_Count	3
6016	Exact_Mass	299.15819492
2003	Hydrogen_Bond_Acceptor_Count	2
10052040	Defined_Bond_Stereo_Count	0
27816	Undefined_Atom_Stereo_Count	0
66000	TPSA	126
9738	Covalent_Unit_Count	1
23661014	Molecular_Weight	434.9
80792	Undefined_Atom_Stereo_Count	0
1163242	Non-hydrogen_Atom_Count	26
1289	Covalent_Unit_Count	1
77067	Tautomer_Count	1
139087363	Covalent_Unit_Count	5
67259543	Isotope_Atom_Count	0
15448	Hydrogen_Bond_Acceptor_Count	1
9704	Undefined_Bond_Stereo_Count	0
3382	Isotope_Atom_Count	0
25000	Exact_Mass	182.908829
69338	Exact_Mass	118.062994177
11279905	Undefined_Bond_Stereo_Count	0
129628282	Mono_Isotopic_Weight	961.12603
6917974	Hydrogen_Bond_Donor_Count	1
138655	Non-hydrogen_Atom_Count	6
6871216	Exact_Mass	511.99526894
54601732	Molecular_Weight	765.9
54443523	Hydrogen_Bond_Acceptor_Count	2
5971	Structure_Complexity	81.5
11392	Total_Formal_Charge	0
20542	Non-hydrogen_Atom_Count	25
750284	Hydrogen_Bond_Donor_Count	1
60835	Defined_Bond_Stereo_Count	0
492405	Total_Formal_Charge	0
71450114	Isotope_Atom_Count	0
157692	Defined_Bond_Stereo_Count	0
56968128	Covalent_Unit_Count	1
139833631	XLogP3-AA	0.6
9541	Rotatable_Bond_Count	8
129319344	Defined_Bond_Stereo_Count	0
25150857	Defined_Bond_Stereo_Count	0
4038	Total_Formal_Charge	0
21061878	Exact_Mass	113.120449483
49838879	Hydrogen_Bond_Acceptor_Count	7
70075	TPSA	29.4
24848345	Isotope_Atom_Count	0
102032439	TPSA	68.4
88520001	Exact_Mass	422.36670574
38101	Isotope_Atom_Count	0
164610	TPSA	65.4
81151	Tautomer_Count	2
99435	Isotope_Atom_Count	0
82650924	Exact_Mass	108.032362755
14671559	Non-hydrogen_Atom_Count	8
78538	Exact_Mass	212.05071541
76654	Rotatable_Bond_Count	4
2734243	Structure_Complexity	199
100016	Defined_Atom_Stereo_Count	4
61973	Undefined_Atom_Stereo_Count	1
279451	Isotope_Atom_Count	0
130026605	Undefined_Bond_Stereo_Count	0
54292763	Exact_Mass	102.068079557
86014	Rotatable_Bond_Count	0
138611145	Covalent_Unit_Count	1
558206	Tautomer_Count	1
173604	Tautomer_Count	1
6476333	Hydrogen_Bond_Acceptor_Count	15
37459	TPSA	23.5
57519510	TPSA	93.9
4823	Structure_Complexity	530
20696068	Hydrogen_Bond_Donor_Count	1
529277	XLogP3-AA	2.5
30270	Structure_Complexity	243
44380980	Molecular_Weight	285.4
84032542	Structure_Complexity	122
123923638	Hydrogen_Bond_Acceptor_Count	1
15118	Rotatable_Bond_Count	0
5597	Defined_Atom_Stereo_Count	0
5284452	Molecular_Weight	338.27
65837	Covalent_Unit_Count	1
87060437	XLogP3-AA	5.1
23311753	Undefined_Bond_Stereo_Count	0
56949747	Covalent_Unit_Count	1
66083	Covalent_Unit_Count	1
5361848	Molecular_Weight	383.4
3587356	Exact_Mass	101.060254526
10337564	Molecular_Weight	344.4
14359580	Undefined_Bond_Stereo_Count	0
97289	Undefined_Atom_Stereo_Count	0
561780	XLogP3-AA	2.5
159812	TPSA	227
5362440	Covalent_Unit_Count	1
11414	Mono_Isotopic_Weight	233.86798
47675	Tautomer_Count	1
12814875	XLogP3-AA	2.5
5368076	Non-hydrogen_Atom_Count	12
24206429	Defined_Atom_Stereo_Count	0
10899521	Rotatable_Bond_Count	2
14717795	Molecular_Weight	1265.4
9257	Undefined_Bond_Stereo_Count	0
170249	Tautomer_Count	1
93923	Structure_Complexity	765
139589209	Covalent_Unit_Count	1
439198	Rotatable_Bond_Count	3
5896	Defined_Atom_Stereo_Count	0
129724825	XLogP3-AA	6.9
8584	Hydrogen_Bond_Donor_Count	1
134755071	Defined_Atom_Stereo_Count	8
361762	Covalent_Unit_Count	1
6852167	Tautomer_Count	5
21438817	Exact_Mass	98.048012819
3817	Molecular_Weight	628.8
71586929	Undefined_Bond_Stereo_Count	0
25780	Defined_Atom_Stereo_Count	0
281888	TPSA	21.8
13908	Exact_Mass	216.02450067
4392	Molecular_Weight	344.26
57507	Structure_Complexity	75.3
11350701	Isotope_Atom_Count	0
12302694	Hydrogen_Bond_Donor_Count	8
13177208	Defined_Bond_Stereo_Count	0
4538	Undefined_Atom_Stereo_Count	1
6420	Tautomer_Count	1
123413	Defined_Bond_Stereo_Count	0
44400351	Defined_Bond_Stereo_Count	0
27295	Undefined_Atom_Stereo_Count	0
38883	Tautomer_Count	4
91464	Covalent_Unit_Count	1
1201546	Structure_Complexity	122
6103	Defined_Atom_Stereo_Count	0
12363650	Defined_Atom_Stereo_Count	0
134505	Rotatable_Bond_Count	0
851390	Molecular_Weight	292.72
56910	TPSA	59
65281	Rotatable_Bond_Count	31
15083770	Isotope_Atom_Count	0
122241575	Undefined_Bond_Stereo_Count	0
7951	Rotatable_Bond_Count	0
9827982	Structure_Complexity	398
49028	Structure_Complexity	294
59292	Undefined_Bond_Stereo_Count	0
100940066	Non-hydrogen_Atom_Count	29
15442732	Covalent_Unit_Count	1
3360	Total_Formal_Charge	0
607248	Mono_Isotopic_Weight	196.0015103
2106900	Structure_Complexity	72.9
734215	Mono_Isotopic_Weight	321.0323340
715567	Total_Formal_Charge	0
37366	Undefined_Atom_Stereo_Count	0
17776820	Exact_Mass	110.109550447
71583604	Rotatable_Bond_Count	5
7472	Hydrogen_Bond_Donor_Count	1
70690019	Undefined_Atom_Stereo_Count	0
9578507	Defined_Bond_Stereo_Count	4
61627	Structure_Complexity	122
86566	Non-hydrogen_Atom_Count	20
108196	Tautomer_Count	1
58557659	Undefined_Bond_Stereo_Count	0
70685697	Exact_Mass	426.1953170
99609	Defined_Bond_Stereo_Count	0
14050	Tautomer_Count	1
71145	Defined_Bond_Stereo_Count	0
94153	Defined_Atom_Stereo_Count	0
156619056	Non-hydrogen_Atom_Count	23
23352408	Structure_Complexity	96.6
5353607	Hydrogen_Bond_Acceptor_Count	6
21440402	Hydrogen_Bond_Donor_Count	1
71057888	Hydrogen_Bond_Acceptor_Count	17
16700308	Undefined_Atom_Stereo_Count	0
243	Structure_Complexity	104
20933	Isotope_Atom_Count	0
91849037	Total_Formal_Charge	0
2122	Structure_Complexity	614
145721979	Undefined_Bond_Stereo_Count	0
7105	Total_Formal_Charge	0
360129	TPSA	139
35754	Molecular_Weight	281.31
3000579	Molecular_Weight	231.3
54587227	Isotope_Atom_Count	0
28060	Isotope_Atom_Count	0
1055	Molecular_Weight	249.16
60196399	Undefined_Atom_Stereo_Count	0
46934729	Hydrogen_Bond_Acceptor_Count	2
92326	Exact_Mass	268.157563266
57429034	Covalent_Unit_Count	1
60196413	Exact_Mass	474.25522887
11625818	TPSA	99.2
44129647	Defined_Bond_Stereo_Count	0
92873	XLogP3-AA	7.6
13023558	Undefined_Bond_Stereo_Count	0
13189	TPSA	0
506152	Total_Formal_Charge	0
5311493	Mono_Isotopic_Weight	350.24570956
61900360	Exact_Mass	113.058911855
453915	Defined_Bond_Stereo_Count	0
18477728	Undefined_Bond_Stereo_Count	0
9870185	Hydrogen_Bond_Acceptor_Count	5
12685	Exact_Mass	152.06023127
38876	Hydrogen_Bond_Acceptor_Count	0
143466591	Mono_Isotopic_Weight	101.084063974
44590402	Total_Formal_Charge	0
5689	Defined_Atom_Stereo_Count	0
11513721	Rotatable_Bond_Count	20
21354407	XLogP3-AA	3.3
45116687	Isotope_Atom_Count	0
157692	Defined_Atom_Stereo_Count	0
135618150	Tautomer_Count	9
155804760	Defined_Atom_Stereo_Count	0
440966	TPSA	0
11225217	Structure_Complexity	523
5517	Isotope_Atom_Count	0
1252769	Undefined_Atom_Stereo_Count	0
129679806	Rotatable_Bond_Count	3
65182	Defined_Atom_Stereo_Count	0
73353803	Defined_Atom_Stereo_Count	1
199758	TPSA	33.1
7567018	Defined_Bond_Stereo_Count	0
202050	XLogP3-AA	1.2
11217523	Hydrogen_Bond_Donor_Count	2
10143016	TPSA	87.3
15106	Structure_Complexity	170
45120438	Rotatable_Bond_Count	0
6918204	Rotatable_Bond_Count	29
6406	Total_Formal_Charge	0
146159220	Molecular_Weight	1145.3
53869158	Defined_Bond_Stereo_Count	0
76970981	Rotatable_Bond_Count	6
36560	Covalent_Unit_Count	2
34755	Isotope_Atom_Count	0
61207	Tautomer_Count	1
2734176	Non-hydrogen_Atom_Count	17
166535	Undefined_Bond_Stereo_Count	0
158221895	Mono_Isotopic_Weight	95.037113783
10238746	Exact_Mass	435.28857743
13399	Undefined_Atom_Stereo_Count	0
12271825	Mono_Isotopic_Weight	99.032028402
51629	Mono_Isotopic_Weight	408.1716891
41206	Molecular_Weight	240.34
16219371	Rotatable_Bond_Count	4
23663953	Mono_Isotopic_Weight	458.1043004
5257127	Structure_Complexity	37.4
12224256	Undefined_Atom_Stereo_Count	0
12729	Undefined_Atom_Stereo_Count	0
169132	Mono_Isotopic_Weight	222.136827821
517055	Non-hydrogen_Atom_Count	10
53693033	Hydrogen_Bond_Donor_Count	0
6598	Undefined_Atom_Stereo_Count	0
13577	Rotatable_Bond_Count	3
49830590	Undefined_Atom_Stereo_Count	2
7926	Tautomer_Count	2
413728	Mono_Isotopic_Weight	478.322223289
29227	Defined_Atom_Stereo_Count	0
139026182	Hydrogen_Bond_Donor_Count	11
16135	Total_Formal_Charge	0
18342355	Defined_Bond_Stereo_Count	0
70752	Defined_Atom_Stereo_Count	0
68551	TPSA	6.5
14418	Rotatable_Bond_Count	5
78596	Isotope_Atom_Count	0
21563	Molecular_Weight	245.32
18684903	Exact_Mass	111.068413911
76497	Defined_Bond_Stereo_Count	0
135400184	XLogP3-AA	1.5
542317	Defined_Bond_Stereo_Count	0
439711	Rotatable_Bond_Count	0
19032309	Mono_Isotopic_Weight	102.115698455
5311345	TPSA	78.7
24857598	Hydrogen_Bond_Donor_Count	0
12323	Structure_Complexity	50.3
307	Structure_Complexity	121
71460733	Hydrogen_Bond_Acceptor_Count	6
28213	Rotatable_Bond_Count	7
78373	Isotope_Atom_Count	0
108313	XLogP3-AA	3
90127741	Undefined_Bond_Stereo_Count	0
15457	Isotope_Atom_Count	0
4285	TPSA	43.7
123650722	Structure_Complexity	1220
5324288	Rotatable_Bond_Count	1
20680	Tautomer_Count	1
91166722	Total_Formal_Charge	0
12658877	Total_Formal_Charge	0
136515	Defined_Bond_Stereo_Count	0
11017510	Covalent_Unit_Count	1
5281162	Structure_Complexity	193
10406	Hydrogen_Bond_Donor_Count	1
8483	Exact_Mass	215.02522894
37059	Undefined_Atom_Stereo_Count	2
4615193	Undefined_Bond_Stereo_Count	0
12754185	Defined_Atom_Stereo_Count	0
68225733	Total_Formal_Charge	0
561861	Molecular_Weight	194.23
26934	Covalent_Unit_Count	1
7470	Defined_Atom_Stereo_Count	0
54680694	Molecular_Weight	527.6
123209	Molecular_Weight	140.14
449369	Covalent_Unit_Count	1
4722595	Defined_Bond_Stereo_Count	0
6665	Defined_Bond_Stereo_Count	0
56631355	Structure_Complexity	120
8168	Non-hydrogen_Atom_Count	15
94398	Hydrogen_Bond_Donor_Count	0
73538	TPSA	67.5
9954944	Tautomer_Count	16
71486	Hydrogen_Bond_Acceptor_Count	6
60199965	Defined_Atom_Stereo_Count	2
36920	Molecular_Weight	295.4
11967214	Defined_Atom_Stereo_Count	0
105426940	Hydrogen_Bond_Donor_Count	2
23684696	Defined_Atom_Stereo_Count	0
17907809	Undefined_Bond_Stereo_Count	0
11611218	Molecular_Weight	409.3
6433402	Non-hydrogen_Atom_Count	55
14079973	Structure_Complexity	71.3
72800595	Mono_Isotopic_Weight	114.068079557
71256	Hydrogen_Bond_Acceptor_Count	14
528630	Defined_Atom_Stereo_Count	0
21917310	Tautomer_Count	1
70068	Hydrogen_Bond_Acceptor_Count	11
82513	Non-hydrogen_Atom_Count	17
101130	Non-hydrogen_Atom_Count	10
70023156	Mono_Isotopic_Weight	111.068413911
20323	Rotatable_Bond_Count	3
7489	Covalent_Unit_Count	1
10867444	XLogP3-AA	4.4
5353830	Non-hydrogen_Atom_Count	17
67473820	Exact_Mass	116.083729621
21677822	XLogP3-AA	2.7
82418997	Isotope_Atom_Count	0
23519621	Tautomer_Count	1
71080	Hydrogen_Bond_Donor_Count	2
44623071	Total_Formal_Charge	0
14359030	Defined_Bond_Stereo_Count	0
48346	Exact_Mass	225.1284273
78747	Isotope_Atom_Count	0
643209	Undefined_Atom_Stereo_Count	0
20220679	Isotope_Atom_Count	0
86582	Covalent_Unit_Count	1
139043493	Defined_Atom_Stereo_Count	0
7443	Covalent_Unit_Count	1
9973981	Exact_Mass	331.1339066
66577443	Mono_Isotopic_Weight	260.08084968
133109195	Hydrogen_Bond_Acceptor_Count	9
533866	Undefined_Atom_Stereo_Count	0
71808	Undefined_Atom_Stereo_Count	1
158800	Covalent_Unit_Count	1
4253	Molecular_Weight	285.34
2870	Total_Formal_Charge	0
9926832	Molecular_Weight	313.4
17769889	Molecular_Weight	100.16
70144	Undefined_Atom_Stereo_Count	0
156615593	TPSA	110
6918025	Defined_Atom_Stereo_Count	8
3068840	Structure_Complexity	443
13089918	Hydrogen_Bond_Donor_Count	0
76366	Rotatable_Bond_Count	36
153772784	Total_Formal_Charge	0
100957861	Covalent_Unit_Count	1
54675785	Non-hydrogen_Atom_Count	32
79497	Non-hydrogen_Atom_Count	13
4451502	Isotope_Atom_Count	0
86278165	Exact_Mass	788.152102
71356554	Defined_Atom_Stereo_Count	1
66008	Structure_Complexity	274
15013749	Isotope_Atom_Count	0
19736307	Non-hydrogen_Atom_Count	38
6433	Undefined_Bond_Stereo_Count	0
71458923	Isotope_Atom_Count	0
12431744	Isotope_Atom_Count	0
7802	Isotope_Atom_Count	0
171527	Molecular_Weight	347.9
61444	Total_Formal_Charge	0
57401682	Isotope_Atom_Count	0
676739	Non-hydrogen_Atom_Count	15
96780	Structure_Complexity	203
58230405	TPSA	151
1144	Exact_Mass	422.08254240
53707229	Hydrogen_Bond_Donor_Count	0
199543	Isotope_Atom_Count	0
12115801	Rotatable_Bond_Count	0
179383	Defined_Atom_Stereo_Count	0
60961	Exact_Mass	267.09675391
968645	Covalent_Unit_Count	1
226057	Covalent_Unit_Count	1
4111803	Structure_Complexity	48.1
11815817	Undefined_Bond_Stereo_Count	0
112	Hydrogen_Bond_Donor_Count	3
6829	Mono_Isotopic_Weight	199.063328530
40701	Hydrogen_Bond_Acceptor_Count	2
53631403	Non-hydrogen_Atom_Count	7
5281032	Undefined_Bond_Stereo_Count	0
2296	TPSA	114
71744109	Rotatable_Bond_Count	0
18049	Tautomer_Count	1
135403804	Hydrogen_Bond_Acceptor_Count	6
836	Defined_Atom_Stereo_Count	0
138107644	Total_Formal_Charge	0
123744867	Hydrogen_Bond_Acceptor_Count	1
41428	Covalent_Unit_Count	1
44563178	Rotatable_Bond_Count	5
71612	Mono_Isotopic_Weight	410.1527835
5491612	Structure_Complexity	311
14464	Hydrogen_Bond_Donor_Count	4
54682938	Hydrogen_Bond_Acceptor_Count	10
22675	Hydrogen_Bond_Acceptor_Count	2
16767378	Molecular_Weight	182.19
37890	Rotatable_Bond_Count	3
138125	Defined_Bond_Stereo_Count	0
954444	Molecular_Weight	292.2
54675758	Hydrogen_Bond_Acceptor_Count	8
32429	Rotatable_Bond_Count	2
68137	Exact_Mass	180.04225873
5382853	Exact_Mass	813.45107043
149433	Mono_Isotopic_Weight	125.084063974
24868287	Covalent_Unit_Count	6
20652033	Total_Formal_Charge	0
6918191	XLogP3-AA	3.1
5372194	Mono_Isotopic_Weight	416.05303648
62719	Exact_Mass	218.13382109
60196338	Mono_Isotopic_Weight	935.47259372
11234	Total_Formal_Charge	0
249494	Defined_Atom_Stereo_Count	0
9821941	Defined_Atom_Stereo_Count	0
10384745	Structure_Complexity	565
10986305	Undefined_Atom_Stereo_Count	0
5284614	Defined_Atom_Stereo_Count	0
45145	Isotope_Atom_Count	0
23018825	Non-hydrogen_Atom_Count	8
22185288	Defined_Bond_Stereo_Count	0
31193	Defined_Bond_Stereo_Count	0
7019	Undefined_Atom_Stereo_Count	0
21336	XLogP3-AA	1.9
154101	Isotope_Atom_Count	0
3015914	Isotope_Atom_Count	0
3242	Hydrogen_Bond_Acceptor_Count	5
21885122	Structure_Complexity	228
17605	Non-hydrogen_Atom_Count	13
8546	Non-hydrogen_Atom_Count	29
44417326	Structure_Complexity	624
3073	Hydrogen_Bond_Acceptor_Count	3
442793	Structure_Complexity	293
16492	Tautomer_Count	1
6097028	Undefined_Atom_Stereo_Count	0
10204	Undefined_Atom_Stereo_Count	0
44644	Defined_Bond_Stereo_Count	0
26644345	Undefined_Bond_Stereo_Count	0
129709955	Exact_Mass	250.172150702
11260	Undefined_Atom_Stereo_Count	1
549097	Mono_Isotopic_Weight	110.109550447
39075	Mono_Isotopic_Weight	342.2090269
24825261	Mono_Isotopic_Weight	545.12659777
136355	Defined_Bond_Stereo_Count	0
25023836	Isotope_Atom_Count	0
163050683	Undefined_Bond_Stereo_Count	0
10898645	Undefined_Bond_Stereo_Count	0
19710580	Structure_Complexity	361
78276	Hydrogen_Bond_Donor_Count	0
24848788	Undefined_Bond_Stereo_Count	0
81217	Tautomer_Count	1
54695720	Undefined_Bond_Stereo_Count	0
35384	Structure_Complexity	411
66080	Hydrogen_Bond_Donor_Count	0
101526	Covalent_Unit_Count	2
11073371	Isotope_Atom_Count	0
142901	Mono_Isotopic_Weight	110.073164938
6556	Undefined_Atom_Stereo_Count	0
19063438	Rotatable_Bond_Count	0
44629596	Hydrogen_Bond_Donor_Count	4
101616	Defined_Atom_Stereo_Count	3
57288387	Non-hydrogen_Atom_Count	12
102552746	Undefined_Atom_Stereo_Count	1
118023034	Tautomer_Count	1
24833843	Rotatable_Bond_Count	15
5281698	TPSA	116
95286	TPSA	57.6
13017912	TPSA	164
129848667	Total_Formal_Charge	0
6324	XLogP3-AA	1.3
870718	XLogP3-AA	1.4
286827	Defined_Bond_Stereo_Count	0
5311071	Undefined_Bond_Stereo_Count	0
5887	Defined_Bond_Stereo_Count	0
93089	Defined_Atom_Stereo_Count	0
37517	Non-hydrogen_Atom_Count	21
21157625	Isotope_Atom_Count	0
88423	XLogP3	3.2
20372060	TPSA	46.2
28610	XLogP3-AA	7
13838145	Defined_Bond_Stereo_Count	0
59653	Undefined_Atom_Stereo_Count	3
522354	Structure_Complexity	70.8
3033332	Defined_Atom_Stereo_Count	0
18363526	Hydrogen_Bond_Acceptor_Count	2
142834	Exact_Mass	94.078250319
11269297	Hydrogen_Bond_Donor_Count	3
23729666	Total_Formal_Charge	0
10813654	Defined_Atom_Stereo_Count	4
5460482	Structure_Complexity	90.4
555	Exact_Mass	144.102453689
11081093	Non-hydrogen_Atom_Count	33
50905713	Mono_Isotopic_Weight	416.1152369
153254665	Molecular_Weight	111.18
3442	Defined_Atom_Stereo_Count	0
10250	Undefined_Atom_Stereo_Count	0
2157	XLogP3	7.6
23696271	Molecular_Weight	223.18
8183	Undefined_Bond_Stereo_Count	0
44560806	Mono_Isotopic_Weight	348.12561169
68600	XLogP3-AA	3.7
104826	Undefined_Atom_Stereo_Count	1
9543329	Total_Formal_Charge	0
85122	Rotatable_Bond_Count	1
9912474	Total_Formal_Charge	0
2733928	Exact_Mass	239.0924357
118701518	Defined_Bond_Stereo_Count	2
54543950	Defined_Bond_Stereo_Count	0
15558640	Structure_Complexity	574
16049088	Hydrogen_Bond_Donor_Count	4
117763868	Rotatable_Bond_Count	6
63985	Hydrogen_Bond_Acceptor_Count	6
133126687	Defined_Bond_Stereo_Count	0
65677	Mono_Isotopic_Weight	288.10964789
6805	Undefined_Atom_Stereo_Count	0
71518	Isotope_Atom_Count	0
57328467	Non-hydrogen_Atom_Count	32
449331	Exact_Mass	1099.61785045
16214946	Structure_Complexity	759
9576891	Undefined_Bond_Stereo_Count	0
95542	Isotope_Atom_Count	0
21930930	Molecular_Weight	108.10
12891182	Undefined_Atom_Stereo_Count	0
66117	Hydrogen_Bond_Acceptor_Count	4
70695705	Molecular_Weight	477.5
121207426	Defined_Bond_Stereo_Count	0
12538241	Structure_Complexity	119
36690486	Molecular_Weight	238.37
643798	Covalent_Unit_Count	1
121494058	Defined_Atom_Stereo_Count	4
124159	Total_Formal_Charge	0
10980	Exact_Mass	255.931856
9859094	XLogP3-AA	6.1
262	Covalent_Unit_Count	1
9914506	Rotatable_Bond_Count	8
31877	Molecular_Weight	85.10
5897	Molecular_Weight	223.27
123628	Structure_Complexity	369
67482131	Rotatable_Bond_Count	6
19675	Hydrogen_Bond_Donor_Count	1
133008	Hydrogen_Bond_Acceptor_Count	3
118511060	Molecular_Weight	100.16
89101416	Defined_Atom_Stereo_Count	0
1811	Exact_Mass	190.01135253
3375	Undefined_Bond_Stereo_Count	0
8944	Structure_Complexity	431
950975	Defined_Atom_Stereo_Count	0
7929	Rotatable_Bond_Count	0
50993726	Structure_Complexity	435
72200357	Undefined_Bond_Stereo_Count	0
82191	Defined_Atom_Stereo_Count	0
118705487	Hydrogen_Bond_Donor_Count	4
59904965	Defined_Bond_Stereo_Count	0
95170	Molecular_Weight	485.79
6951129	Exact_Mass	165.115364102
19601	Isotope_Atom_Count	0
134688474	Isotope_Atom_Count	0
25142177	Mono_Isotopic_Weight	420.21614077
59696370	Defined_Atom_Stereo_Count	0
18622370	Undefined_Atom_Stereo_Count	0
2811264	Exact_Mass	337.15904043
37541	Undefined_Bond_Stereo_Count	0
70235	Molecular_Weight	98.14
459294	Tautomer_Count	16
4722	Defined_Bond_Stereo_Count	0
21142	Isotope_Atom_Count	0
51417552	Isotope_Atom_Count	0
15983809	Defined_Atom_Stereo_Count	0
6825	Isotope_Atom_Count	0
535813	Rotatable_Bond_Count	2
10898648	Rotatable_Bond_Count	0
89590	Structure_Complexity	146
15983988	Non-hydrogen_Atom_Count	26
21162824	Hydrogen_Bond_Acceptor_Count	2
22477643	Mono_Isotopic_Weight	106.053098200
10402760	Rotatable_Bond_Count	6
4055843	Total_Formal_Charge	0
91026652	Total_Formal_Charge	0
3685	Exact_Mass	497.16858144
135566433	Defined_Atom_Stereo_Count	0
3033031	Undefined_Bond_Stereo_Count	0
115001	Non-hydrogen_Atom_Count	9
443289	Defined_Bond_Stereo_Count	0
11250	Molecular_Weight	84.16
36559	Molecular_Weight	236.4
251070	Covalent_Unit_Count	1
743681	Hydrogen_Bond_Donor_Count	2
13922	Defined_Bond_Stereo_Count	0
118797621	Mono_Isotopic_Weight	181.06674293
88	Non-hydrogen_Atom_Count	54
137105	Hydrogen_Bond_Donor_Count	1
15983810	XLogP3-AA	0.6
12288423	Undefined_Bond_Stereo_Count	0
24963252	Mono_Isotopic_Weight	504.01061
71971	Tautomer_Count	1
11543746	XLogP3-AA	2.3
5284542	Undefined_Bond_Stereo_Count	0
10930	Hydrogen_Bond_Donor_Count	1
123134657	Defined_Bond_Stereo_Count	1
22591	Defined_Bond_Stereo_Count	0
91655	Tautomer_Count	1
54678407	Undefined_Atom_Stereo_Count	0
458821	Defined_Atom_Stereo_Count	0
8372	Undefined_Bond_Stereo_Count	0
25526	Rotatable_Bond_Count	9
131167766	Hydrogen_Bond_Donor_Count	0
49867936	Hydrogen_Bond_Acceptor_Count	9
398739	Non-hydrogen_Atom_Count	19
20054915	Covalent_Unit_Count	1
448	XLogP3	0.9
68405	Defined_Atom_Stereo_Count	0
87604555	TPSA	61.1
134735	Mono_Isotopic_Weight	107.049689843
46206294	Hydrogen_Bond_Acceptor_Count	5
47750	Undefined_Bond_Stereo_Count	0
71509158	Covalent_Unit_Count	3
20727	Total_Formal_Charge	0
10290728	TPSA	26
19782039	Isotope_Atom_Count	0
11715	Structure_Complexity	42.2
139080230	Isotope_Atom_Count	0
92319	Rotatable_Bond_Count	5
83075	Tautomer_Count	1
135618150	Defined_Atom_Stereo_Count	8
92247	Exact_Mass	368.401816278
3038505	Isotope_Atom_Count	0
10592371	Defined_Bond_Stereo_Count	0
16987	Total_Formal_Charge	0
704316	Exact_Mass	331.0182254
521381	XLogP3	1.1
57264323	Rotatable_Bond_Count	0
11553369	Rotatable_Bond_Count	6
8617	XLogP3	2.3
92027383	Structure_Complexity	52.4
11126210	Defined_Atom_Stereo_Count	0
55289472	Hydrogen_Bond_Donor_Count	2
533473	Hydrogen_Bond_Acceptor_Count	2
6913185	Exact_Mass	400.0381477
10176120	Defined_Bond_Stereo_Count	0
1201	Non-hydrogen_Atom_Count	27
3033953	Hydrogen_Bond_Acceptor_Count	9
139829	Exact_Mass	108.093900383
6741	Molecular_Weight	374.5
11865423	Non-hydrogen_Atom_Count	25
79098	Isotope_Atom_Count	0
51397515	Hydrogen_Bond_Acceptor_Count	12
57393918	Rotatable_Bond_Count	4
126402	Mono_Isotopic_Weight	317.19909372
5460723	Hydrogen_Bond_Acceptor_Count	1
10278470	Structure_Complexity	686
67678949	Exact_Mass	114.068079557
13046622	Rotatable_Bond_Count	2
11418	Covalent_Unit_Count	1
94222	Hydrogen_Bond_Acceptor_Count	2
163727	Mono_Isotopic_Weight	235.0279174
21999609	XLogP3-AA	1.8
62264	Defined_Bond_Stereo_Count	0
94972	Total_Formal_Charge	0
67938791	Hydrogen_Bond_Acceptor_Count	6
33184	Defined_Bond_Stereo_Count	0
11457680	Exact_Mass	115.063328530
12487265	Isotope_Atom_Count	0
230373	Isotope_Atom_Count	0
79124	Non-hydrogen_Atom_Count	4
159747	Structure_Complexity	50.4
5366244	Defined_Atom_Stereo_Count	0
53174	Isotope_Atom_Count	0
16120	Covalent_Unit_Count	1
31284	Structure_Complexity	166
6473767	Undefined_Bond_Stereo_Count	0
15559065	Isotope_Atom_Count	0
5757	Undefined_Bond_Stereo_Count	0
9877746	Covalent_Unit_Count	1
20348168	Mono_Isotopic_Weight	100.052429494
723025	Exact_Mass	282.14806121
13007516	Covalent_Unit_Count	1
12365604	Hydrogen_Bond_Acceptor_Count	4
6419725	Rotatable_Bond_Count	10
62816	Mono_Isotopic_Weight	281.1982382
5312115	Tautomer_Count	1
10376	Mono_Isotopic_Weight	230.094294304
94381	Covalent_Unit_Count	1
51043	Exact_Mass	291.919411
23103323	Defined_Bond_Stereo_Count	0
28064878	Rotatable_Bond_Count	1
9690	XLogP3	4.7
52346	Structure_Complexity	133
2734232	Covalent_Unit_Count	1
9815299	Structure_Complexity	154
62802	Isotope_Atom_Count	0
1242	Mono_Isotopic_Weight	255.125928785
52021	Hydrogen_Bond_Donor_Count	1
7318	Covalent_Unit_Count	1
42509	Isotope_Atom_Count	0
3151	Rotatable_Bond_Count	5
9800285	Isotope_Atom_Count	0
54520	Covalent_Unit_Count	1
22137184	XLogP3-AA	1
89168339	Rotatable_Bond_Count	0
23968	Hydrogen_Bond_Donor_Count	0
135621748	Hydrogen_Bond_Acceptor_Count	2
59252	Hydrogen_Bond_Donor_Count	2
81129	Molecular_Weight	185.02
72959169	Undefined_Atom_Stereo_Count	0
231010	Non-hydrogen_Atom_Count	19
57082	Covalent_Unit_Count	1
63088	Tautomer_Count	1
12500500	Undefined_Atom_Stereo_Count	1
9187	Tautomer_Count	1
49800000	Undefined_Atom_Stereo_Count	1
70346812	Total_Formal_Charge	0
35407	Defined_Bond_Stereo_Count	0
124443	Undefined_Atom_Stereo_Count	2
12028	Undefined_Atom_Stereo_Count	0
24755480	Defined_Bond_Stereo_Count	0
5365909	Molecular_Weight	114.14
19829703	Undefined_Bond_Stereo_Count	0
24853	Defined_Atom_Stereo_Count	0
67271	Exact_Mass	456.09662023
5731	Undefined_Atom_Stereo_Count	1
21724548	Non-hydrogen_Atom_Count	27
87315833	Undefined_Atom_Stereo_Count	0
129738164	Defined_Bond_Stereo_Count	0
60196313	Mono_Isotopic_Weight	231.162314293
41649	XLogP3-AA	4.3
5273621	Structure_Complexity	371
11957378	Mono_Isotopic_Weight	494.15964201
551387	Defined_Bond_Stereo_Count	0
3959	Non-hydrogen_Atom_Count	30
5284506	Non-hydrogen_Atom_Count	13
5569	Defined_Atom_Stereo_Count	0
90909703	Defined_Bond_Stereo_Count	0
2797779	Defined_Bond_Stereo_Count	0
23603	Molecular_Weight	237.30
54598522	Isotope_Atom_Count	0
3792	Covalent_Unit_Count	1
439950	Isotope_Atom_Count	0
13314	Defined_Atom_Stereo_Count	0
406167	Undefined_Atom_Stereo_Count	0
71363350	Non-hydrogen_Atom_Count	8
11521070	Undefined_Bond_Stereo_Count	0
446504	Exact_Mass	393.13584202
17847	Structure_Complexity	99.5
91756	Structure_Complexity	641
70249	Undefined_Atom_Stereo_Count	0
1878	Non-hydrogen_Atom_Count	27
82197	Hydrogen_Bond_Donor_Count	1
688091	Defined_Atom_Stereo_Count	0
58305	Covalent_Unit_Count	1
22934413	Covalent_Unit_Count	1
114961	TPSA	127
8136	Non-hydrogen_Atom_Count	12
6436730	TPSA	319
171829	Tautomer_Count	2
72385	Molecular_Weight	616.8
38756	Defined_Atom_Stereo_Count	0
16960	Structure_Complexity	249
14022519	XLogP3-AA	1.2
49652396	Rotatable_Bond_Count	15
15559	Exact_Mass	128.083729621
241	Covalent_Unit_Count	1
557903	Defined_Atom_Stereo_Count	0
5281116	Isotope_Atom_Count	0
91826482	Covalent_Unit_Count	3
404289	Undefined_Bond_Stereo_Count	0
61633	XLogP3-AA	0.6
653419	Non-hydrogen_Atom_Count	31
54352844	Covalent_Unit_Count	1
32594	TPSA	35
7115	Hydrogen_Bond_Acceptor_Count	0
74262	TPSA	0
28486	Isotope_Atom_Count	0
3054073	Non-hydrogen_Atom_Count	5
62351	Covalent_Unit_Count	1
3332	Covalent_Unit_Count	1
54136224	Molecular_Weight	108.10
67966489	Molecular_Weight	111.10
20276	Exact_Mass	282.08445
4759	Non-hydrogen_Atom_Count	25
17111	Defined_Bond_Stereo_Count	0
88709052	Exact_Mass	103.063328530
2484	Exact_Mass	317.214349865
5509	Non-hydrogen_Atom_Count	19
59708	Hydrogen_Bond_Donor_Count	1
3002	Defined_Atom_Stereo_Count	0
11023	Structure_Complexity	211
6918412	Mono_Isotopic_Weight	871.36264935
18669439	Rotatable_Bond_Count	0
71482	Undefined_Bond_Stereo_Count	0
44521023	Total_Formal_Charge	0
71160	Undefined_Bond_Stereo_Count	0
5371560	Structure_Complexity	291
92180	Hydrogen_Bond_Donor_Count	2
5757	Hydrogen_Bond_Acceptor_Count	2
93089	Mono_Isotopic_Weight	412.24947478
22623468	Mono_Isotopic_Weight	99.104799419
5226	Mono_Isotopic_Weight	212.06194880
134687044	Mono_Isotopic_Weight	692.41115704
138924	TPSA	0
2422	Molecular_Weight	340.4
69440016	Total_Formal_Charge	0
1242943	Isotope_Atom_Count	0
79680	Non-hydrogen_Atom_Count	7
17162	Hydrogen_Bond_Acceptor_Count	2
129676242	Isotope_Atom_Count	0
9971980	Undefined_Bond_Stereo_Count	0
66204	Mono_Isotopic_Weight	246.81429
5284627	TPSA	124
12769779	Molecular_Weight	127.11
549244	Hydrogen_Bond_Donor_Count	0
3126	XLogP3-AA	5.8
122403016	Hydrogen_Bond_Acceptor_Count	97
23696271	Hydrogen_Bond_Donor_Count	1
12872197	XLogP3-AA	0
54144952	Undefined_Bond_Stereo_Count	0
5288910	Hydrogen_Bond_Acceptor_Count	15
19738210	Hydrogen_Bond_Donor_Count	1
124328164	Mono_Isotopic_Weight	530.28796829
7091	Covalent_Unit_Count	1
34676237	Rotatable_Bond_Count	5
7768	Total_Formal_Charge	0
83859	Total_Formal_Charge	0
31245	Undefined_Bond_Stereo_Count	0
18705389	Undefined_Bond_Stereo_Count	0
328257	Rotatable_Bond_Count	0
11167	Tautomer_Count	1
45267632	Covalent_Unit_Count	1
11470068	Hydrogen_Bond_Donor_Count	0
21635382	Exact_Mass	105.078978594
53983207	Undefined_Bond_Stereo_Count	1
756229	TPSA	49.4
13393280	Defined_Bond_Stereo_Count	0
58373	Covalent_Unit_Count	1
77554	Isotope_Atom_Count	0
4168142	Non-hydrogen_Atom_Count	54
244809	Undefined_Bond_Stereo_Count	0
24682	Rotatable_Bond_Count	0
24290	Undefined_Bond_Stereo_Count	0
55291451	Isotope_Atom_Count	0
9798496	Isotope_Atom_Count	0
86222	Undefined_Atom_Stereo_Count	1
2771013	TPSA	95.9
58654632	Defined_Bond_Stereo_Count	0
68880	Hydrogen_Bond_Donor_Count	2
2734118	Defined_Bond_Stereo_Count	0
5460998	Mono_Isotopic_Weight	108.021129366
322968	TPSA	60.8
151	Isotope_Atom_Count	0
96198	Tautomer_Count	1
6114	Non-hydrogen_Atom_Count	12
7977	Rotatable_Bond_Count	0
122670	Covalent_Unit_Count	1
30387	Defined_Bond_Stereo_Count	0
13286	Undefined_Atom_Stereo_Count	0
8589	Defined_Bond_Stereo_Count	0
10666310	Total_Formal_Charge	0
71434160	Structure_Complexity	688
112039	Tautomer_Count	5
522446	Hydrogen_Bond_Acceptor_Count	1
2194	Tautomer_Count	1
55289700	Defined_Atom_Stereo_Count	0
84871	Mono_Isotopic_Weight	466.111476
91353581	Non-hydrogen_Atom_Count	8
141849	Undefined_Bond_Stereo_Count	0
9807572	Defined_Bond_Stereo_Count	0
129866077	Covalent_Unit_Count	1
3419	Rotatable_Bond_Count	14
37460	Defined_Atom_Stereo_Count	3
719018	Covalent_Unit_Count	1
9604654	Defined_Bond_Stereo_Count	0
18923028	Molecular_Weight	99.13
6667	Structure_Complexity	322
91239905	Non-hydrogen_Atom_Count	7
19951	Defined_Atom_Stereo_Count	0
257950	Structure_Complexity	160
25215	Exact_Mass	288.1029409
444655	Molecular_Weight	121.16
22833294	Molecular_Weight	377.3
121249	Defined_Bond_Stereo_Count	0
742	Total_Formal_Charge	0
124005380	Exact_Mass	110.109550447
126961192	Exact_Mass	678.07845408
91239905	Rotatable_Bond_Count	0
104781	Exact_Mass	222.04795251
6506250	Hydrogen_Bond_Acceptor_Count	6
44324941	Undefined_Bond_Stereo_Count	0
13545127	Undefined_Bond_Stereo_Count	0
10997483	Mono_Isotopic_Weight	171.068413911
23866	Isotope_Atom_Count	0
10472693	TPSA	94.8
6559	XLogP3	0.5
14197638	Rotatable_Bond_Count	0
443777	Exact_Mass	192.078644241
129852933	TPSA	140
10493732	Mono_Isotopic_Weight	290.199428076
11045	Undefined_Atom_Stereo_Count	0
11029762	Exact_Mass	88.052429494
89402065	Isotope_Atom_Count	0
75472	Mono_Isotopic_Weight	171.162314293
20848883	Rotatable_Bond_Count	10
24469	XLogP3-AA	2.9
441407	Molecular_Weight	442.4
29675	Defined_Atom_Stereo_Count	0
169016	Hydrogen_Bond_Acceptor_Count	5
24153	Defined_Atom_Stereo_Count	0
10290	Tautomer_Count	9
13593931	Defined_Bond_Stereo_Count	0
12452048	Covalent_Unit_Count	1
58116879	Undefined_Atom_Stereo_Count	1
11171853	Mono_Isotopic_Weight	212.1107912
15448870	Rotatable_Bond_Count	0
102452877	Covalent_Unit_Count	1
95982	Covalent_Unit_Count	1
91280177	Mono_Isotopic_Weight	110.109550447
11622593	Structure_Complexity	280
447715	Defined_Bond_Stereo_Count	0
23723027	Hydrogen_Bond_Donor_Count	0
51371222	Molecular_Weight	392.18
53840809	Isotope_Atom_Count	0
95361	Isotope_Atom_Count	0
180559	Non-hydrogen_Atom_Count	19
159876	Hydrogen_Bond_Acceptor_Count	8
12648109	TPSA	20.2
3080641	Hydrogen_Bond_Donor_Count	0
118701617	Defined_Atom_Stereo_Count	11
9570985	Molecular_Weight	598.6
11158353	Non-hydrogen_Atom_Count	26
55284153	Exact_Mass	112.074896272
84148	Mono_Isotopic_Weight	112.063662883
23688359	TPSA	197
5320313	Molecular_Weight	432.4
169980	Isotope_Atom_Count	0
10909515	Rotatable_Bond_Count	1
656641	Molecular_Weight	582.8
9741	Structure_Complexity	64.9
636398	Defined_Atom_Stereo_Count	7
135399748	Defined_Bond_Stereo_Count	0
4163	Defined_Bond_Stereo_Count	0
10796706	Rotatable_Bond_Count	2
58528	Mono_Isotopic_Weight	256.121177757
139593469	Covalent_Unit_Count	3
562683	Undefined_Atom_Stereo_Count	0
441254	Structure_Complexity	141
9967941	Mono_Isotopic_Weight	343.17969569
5356	Hydrogen_Bond_Acceptor_Count	6
13526	Exact_Mass	230.02002368
53276	Undefined_Atom_Stereo_Count	0
1415	Mono_Isotopic_Weight	336.23005950
94932	Hydrogen_Bond_Donor_Count	2
1787910	Non-hydrogen_Atom_Count	13
20056978	Defined_Atom_Stereo_Count	2
2786	Covalent_Unit_Count	1
11147674	Exact_Mass	99.043261792
119072	Non-hydrogen_Atom_Count	40
136729	TPSA	0
72145	Structure_Complexity	772
54391876	Defined_Bond_Stereo_Count	0
3826	Hydrogen_Bond_Donor_Count	1
9818024	Exact_Mass	306.21949481
20689	Covalent_Unit_Count	1
46193077	XLogP3-AA	9.7
53232849	Molecular_Weight	99.13
6093219	Rotatable_Bond_Count	9
15627	Molecular_Weight	160.25
445794	Molecular_Weight	559.32
62583	Undefined_Atom_Stereo_Count	1
46902102	Rotatable_Bond_Count	22
66663	Undefined_Bond_Stereo_Count	0
12755803	Hydrogen_Bond_Acceptor_Count	1
91029	Total_Formal_Charge	0
154557922	Isotope_Atom_Count	0
446378	Tautomer_Count	1
57398329	Hydrogen_Bond_Acceptor_Count	9
445063	Non-hydrogen_Atom_Count	21
79088	Exact_Mass	87.032028402
5497171	TPSA	151
23505018	Defined_Bond_Stereo_Count	0
42609610	Non-hydrogen_Atom_Count	13
146570	Hydrogen_Bond_Acceptor_Count	4
540987	Structure_Complexity	482
1094	TPSA	98
108166	Exact_Mass	654.254662
5484727	Non-hydrogen_Atom_Count	31
61594	Total_Formal_Charge	0
736351	Isotope_Atom_Count	0
6012	Defined_Atom_Stereo_Count	0
8022	Exact_Mass	71.037113783
154914	Molecular_Weight	363.25
2282	Total_Formal_Charge	0
537121	Defined_Bond_Stereo_Count	0
60196432	Mono_Isotopic_Weight	255.831566
92822	Hydrogen_Bond_Acceptor_Count	3
10184653	Exact_Mass	485.1629955
91069096	Structure_Complexity	129
58679341	Defined_Atom_Stereo_Count	0
2403	Undefined_Atom_Stereo_Count	0
131720661	Mono_Isotopic_Weight	228.06338810
69807583	Undefined_Atom_Stereo_Count	0
66697936	Undefined_Bond_Stereo_Count	0
67258919	Undefined_Atom_Stereo_Count	0
59194207	XLogP3-AA	0.7
13039	Tautomer_Count	3
162379291	Defined_Atom_Stereo_Count	0
135409453	TPSA	87.8
70730	Structure_Complexity	97.1
4674	Covalent_Unit_Count	1
643786	Rotatable_Bond_Count	1
120231	XLogP3	0.8
4133	Exact_Mass	152.047344113
56679083	Hydrogen_Bond_Acceptor_Count	21
41214	Defined_Bond_Stereo_Count	0
49836058	Isotope_Atom_Count	0
14751894	Mono_Isotopic_Weight	100.063662883
19078651	Hydrogen_Bond_Donor_Count	1
135398516	Structure_Complexity	630
10947574	Undefined_Bond_Stereo_Count	0
5310985	Exact_Mass	308.152477885
5287969	Defined_Atom_Stereo_Count	2
108054	Defined_Atom_Stereo_Count	0
8265	XLogP3-AA	2.4
12163	TPSA	23.8
87190	Covalent_Unit_Count	1
485	Mono_Isotopic_Weight	183.05652907
90658468	Non-hydrogen_Atom_Count	24
13838	Exact_Mass	161.10560268
159326	Undefined_Bond_Stereo_Count	0
12285868	Isotope_Atom_Count	0
119476	TPSA	29.5
53384442	Isotope_Atom_Count	0
22486676	Defined_Atom_Stereo_Count	0
36084	Structure_Complexity	296
3366	Isotope_Atom_Count	0
70789202	Covalent_Unit_Count	1
6971016	Undefined_Bond_Stereo_Count	0
150679	Isotope_Atom_Count	0
6391	TPSA	0
715	Undefined_Atom_Stereo_Count	4
616236	Tautomer_Count	12
607248	Non-hydrogen_Atom_Count	12
54608115	TPSA	845
441397	Defined_Atom_Stereo_Count	4
123208701	Covalent_Unit_Count	1
166585863	Covalent_Unit_Count	1
20626690	Hydrogen_Bond_Donor_Count	1
23566493	Covalent_Unit_Count	1
139020	Undefined_Bond_Stereo_Count	0
6145	Defined_Bond_Stereo_Count	0
5219	Defined_Atom_Stereo_Count	0
1698	Undefined_Bond_Stereo_Count	0
131634760	Defined_Bond_Stereo_Count	0
84141	Total_Formal_Charge	0
145994360	TPSA	204
10336591	Defined_Bond_Stereo_Count	0
2734233	Covalent_Unit_Count	2
101102794	Molecular_Weight	960.8
9904502	Defined_Atom_Stereo_Count	3
5724	Exact_Mass	439.95748
31877	Defined_Atom_Stereo_Count	0
28563239	TPSA	32.3
439377	Non-hydrogen_Atom_Count	11
3033825	Tautomer_Count	9
676030	Covalent_Unit_Count	1
57345538	Covalent_Unit_Count	1
9985579	Isotope_Atom_Count	0
51886	Molecular_Weight	209.20
54316980	Exact_Mass	99.068413911
10058	Structure_Complexity	1080
86289608	Undefined_Atom_Stereo_Count	0
5288595	Hydrogen_Bond_Donor_Count	2
96299	Hydrogen_Bond_Donor_Count	2
834519	Isotope_Atom_Count	0
70297750	Total_Formal_Charge	0
129296348	Defined_Bond_Stereo_Count	0
31284	Exact_Mass	242.224580195
63198	Isotope_Atom_Count	0
558502	Hydrogen_Bond_Donor_Count	1
17933153	Rotatable_Bond_Count	4
2813282	Undefined_Atom_Stereo_Count	0
10402	Mono_Isotopic_Weight	170.130679813
66537	Structure_Complexity	205
10987299	Defined_Atom_Stereo_Count	2
28531	Mono_Isotopic_Weight	331.08445790
4062	Total_Formal_Charge	0
17695	Hydrogen_Bond_Acceptor_Count	3
64740	Non-hydrogen_Atom_Count	25
53237541	Undefined_Atom_Stereo_Count	1
4921	Rotatable_Bond_Count	23
142906448	Undefined_Bond_Stereo_Count	0
74089	Non-hydrogen_Atom_Count	8
15123308	Non-hydrogen_Atom_Count	20
12387212	Isotope_Atom_Count	0
142883	Tautomer_Count	1
72200721	Undefined_Atom_Stereo_Count	0
21407	Total_Formal_Charge	0
54753	Defined_Bond_Stereo_Count	0
92772	Mono_Isotopic_Weight	328.22497412
4163	Defined_Atom_Stereo_Count	0
12245073	Undefined_Bond_Stereo_Count	0
9830317	Defined_Atom_Stereo_Count	2
5368010	Hydrogen_Bond_Acceptor_Count	2
5369258	Defined_Bond_Stereo_Count	1
6918106	Defined_Atom_Stereo_Count	2
45140016	Hydrogen_Bond_Acceptor_Count	8
261555	Structure_Complexity	711
74098	Total_Formal_Charge	0
16721	Undefined_Bond_Stereo_Count	0
5308	Defined_Atom_Stereo_Count	0
140996483	Structure_Complexity	99.9
8525	Defined_Atom_Stereo_Count	0
23077956	Undefined_Bond_Stereo_Count	0
14197638	XLogP3-AA	1.1
147513	XLogP3-AA	2.5
16079005	Undefined_Bond_Stereo_Count	0
20823	Rotatable_Bond_Count	3
68778068	Hydrogen_Bond_Donor_Count	2
51	Total_Formal_Charge	0
446222	Total_Formal_Charge	0
9785	Hydrogen_Bond_Acceptor_Count	4
53974092	Defined_Bond_Stereo_Count	0
121515	Structure_Complexity	432
17954	Covalent_Unit_Count	1
129858712	Isotope_Atom_Count	0
89351	Molecular_Weight	219.28
62705688	Covalent_Unit_Count	1
8633	Total_Formal_Charge	0
93101	Tautomer_Count	1
8223	TPSA	118
35876	Hydrogen_Bond_Donor_Count	0
53782318	TPSA	17.1
74442	Hydrogen_Bond_Acceptor_Count	2
1088430	TPSA	60.9
91746490	Undefined_Atom_Stereo_Count	1
328	Isotope_Atom_Count	0
8681	Rotatable_Bond_Count	4
152	Non-hydrogen_Atom_Count	18
85515	Mono_Isotopic_Weight	108.043596145
3000226	Rotatable_Bond_Count	6
7647	Non-hydrogen_Atom_Count	14
133967	Mono_Isotopic_Weight	290.20459364
46900403	Molecular_Weight	351.4
688	Isotope_Atom_Count	0
54391876	TPSA	20.2
188267	Defined_Atom_Stereo_Count	0
7880	Non-hydrogen_Atom_Count	39
23682789	Exact_Mass	452.09440780
442866	Structure_Complexity	338
143035	Molecular_Weight	68.07
3016656	Covalent_Unit_Count	1
14508	Defined_Bond_Stereo_Count	0
1305	Exact_Mass	466.33077660
102402986	Defined_Atom_Stereo_Count	0
22291085	TPSA	92.8
398515	Total_Formal_Charge	0
12205	Undefined_Bond_Stereo_Count	0
44719499	TPSA	44.5
27244	XLogP3	2.6
3983	Undefined_Bond_Stereo_Count	0
3536532	Rotatable_Bond_Count	3
57750343	Isotope_Atom_Count	0
6429604	Isotope_Atom_Count	0
41541	Exact_Mass	255.961333
18032	Hydrogen_Bond_Acceptor_Count	6
13346655	Defined_Atom_Stereo_Count	0
16212317	Tautomer_Count	1
140511	Structure_Complexity	59.4
85895007	Hydrogen_Bond_Donor_Count	0
25200541	Hydrogen_Bond_Acceptor_Count	8
15061530	Undefined_Atom_Stereo_Count	0
143061	Undefined_Atom_Stereo_Count	0
22263119	TPSA	69.1
64560	Molecular_Weight	290.5
76688	TPSA	26
65646	Structure_Complexity	868
5668	Tautomer_Count	1
10313102	XLogP3-AA	0.3
11243969	TPSA	90.4
9103	Structure_Complexity	470
5702132	Non-hydrogen_Atom_Count	18
9799518	Structure_Complexity	554
7756	Isotope_Atom_Count	0
20141332	Defined_Atom_Stereo_Count	0
9832301	Undefined_Atom_Stereo_Count	0
99147	Isotope_Atom_Count	0
445694	Hydrogen_Bond_Acceptor_Count	2
185902	Undefined_Bond_Stereo_Count	0
95745	Rotatable_Bond_Count	1
23729769	Structure_Complexity	613
11412527	Structure_Complexity	99.7
11146968	Molecular_Weight	719.0
13816	Hydrogen_Bond_Donor_Count	2
22243070	Total_Formal_Charge	0
2356	Defined_Atom_Stereo_Count	0
11743862	Mono_Isotopic_Weight	438.10832773
54597740	Undefined_Bond_Stereo_Count	0
13008	Hydrogen_Bond_Acceptor_Count	2
70679035	Undefined_Atom_Stereo_Count	0
84623	Hydrogen_Bond_Donor_Count	0
6588	XLogP3-AA	3.6
442461	Molecular_Weight	136.23
15541506	Undefined_Atom_Stereo_Count	0
21958	Hydrogen_Bond_Donor_Count	0
71515466	Rotatable_Bond_Count	36
57459334	Molecular_Weight	104.15
23663964	Structure_Complexity	557
5281233	Defined_Atom_Stereo_Count	20
139086956	Hydrogen_Bond_Acceptor_Count	6
11593	Undefined_Atom_Stereo_Count	0
56672297	Defined_Atom_Stereo_Count	0
38764	Structure_Complexity	297
427842	XLogP3-AA	1.5
135177	Hydrogen_Bond_Acceptor_Count	3
15130831	Mono_Isotopic_Weight	356.1422188
704528	Hydrogen_Bond_Acceptor_Count	4
42553	Covalent_Unit_Count	1
3000667	Molecular_Weight	319.4
44345198	Structure_Complexity	719
71312086	Structure_Complexity	432
87985965	Covalent_Unit_Count	1
636371	Molecular_Weight	372.24
57402175	Hydrogen_Bond_Acceptor_Count	11
90891909	Rotatable_Bond_Count	2
42865	Structure_Complexity	280
97012113	Hydrogen_Bond_Acceptor_Count	11
21041051	Non-hydrogen_Atom_Count	7
11697676	Hydrogen_Bond_Donor_Count	1
7919	Total_Formal_Charge	0
46830239	Rotatable_Bond_Count	3
16202184	TPSA	99.4
24967621	Exact_Mass	481.23654186
6452749	Covalent_Unit_Count	2
57397810	Defined_Bond_Stereo_Count	0
88077632	Structure_Complexity	185
573553	Undefined_Bond_Stereo_Count	0
51579	XLogP3	2.6
92043128	Hydrogen_Bond_Donor_Count	1
6327846	Covalent_Unit_Count	2
10110	XLogP3-AA	0.3
123114	Mono_Isotopic_Weight	70.041864811
55298701	Total_Formal_Charge	0
14743344	TPSA	51.8
2300	Structure_Complexity	418
45116667	TPSA	31
156587311	Covalent_Unit_Count	3
24771	Non-hydrogen_Atom_Count	4
9973799	Covalent_Unit_Count	1
586083	XLogP3-AA	1.3
134825353	Structure_Complexity	795
16212118	Rotatable_Bond_Count	7
12431566	Defined_Bond_Stereo_Count	0
129688356	Molecular_Weight	235.26
6399650	TPSA	75.7
17817752	Undefined_Bond_Stereo_Count	0
2737121	Undefined_Atom_Stereo_Count	0
121207368	Rotatable_Bond_Count	0
35331	Rotatable_Bond_Count	0
133562785	TPSA	662
123146	Defined_Atom_Stereo_Count	0
47316	Defined_Atom_Stereo_Count	0
48306	XLogP3-AA	5.3
15007	Molecular_Weight	250.33
9589606	Molecular_Weight	518.4
81261	Undefined_Atom_Stereo_Count	0
349902	Covalent_Unit_Count	1
12576155	Isotope_Atom_Count	0
69140538	Non-hydrogen_Atom_Count	8
28852	Covalent_Unit_Count	1
10582477	Defined_Atom_Stereo_Count	0
115260	Undefined_Atom_Stereo_Count	0
17016	Non-hydrogen_Atom_Count	10
23700088	TPSA	49.4
147304866	Covalent_Unit_Count	1
6924	Undefined_Bond_Stereo_Count	0
90931176	Hydrogen_Bond_Acceptor_Count	0
166754	Rotatable_Bond_Count	7
5353593	Defined_Bond_Stereo_Count	1
129628999	Non-hydrogen_Atom_Count	64
688091	Molecular_Weight	214.24
3045392	Covalent_Unit_Count	1
21779029	Undefined_Bond_Stereo_Count	0
644066	Tautomer_Count	12
5425	Undefined_Bond_Stereo_Count	0
6433402	TPSA	34.1
9953590	Mono_Isotopic_Weight	414.20423867
5289085	Total_Formal_Charge	0
170759	Tautomer_Count	2
71449858	Undefined_Atom_Stereo_Count	0
38102	Undefined_Bond_Stereo_Count	0
71253	Defined_Bond_Stereo_Count	0
15103	Hydrogen_Bond_Donor_Count	2
18398	Covalent_Unit_Count	1
16052015	Undefined_Bond_Stereo_Count	0
89844	Total_Formal_Charge	0
9862634	Isotope_Atom_Count	0
8015	Molecular_Weight	68.08
7802604	Exact_Mass	388.13986234
10554	Mono_Isotopic_Weight	92.0392780
137264	Covalent_Unit_Count	1
550655	Hydrogen_Bond_Donor_Count	0
101883476	Mono_Isotopic_Weight	364.22497412
8486	XLogP3	0.8
146265392	Undefined_Atom_Stereo_Count	2
55285855	Structure_Complexity	77.7
74195	Mono_Isotopic_Weight	266.203450829
18756	Undefined_Bond_Stereo_Count	1
12959020	Rotatable_Bond_Count	0
18801784	Isotope_Atom_Count	0
54272	Mono_Isotopic_Weight	304.109944368
23629960	Exact_Mass	368.15968852
12976	Mono_Isotopic_Weight	118.03784206
13469007	Mono_Isotopic_Weight	115.026943022
69341027	Hydrogen_Bond_Acceptor_Count	2
13584550	Rotatable_Bond_Count	0
222865	Hydrogen_Bond_Donor_Count	0
10241	Isotope_Atom_Count	0
87642220	Defined_Atom_Stereo_Count	10
166089069	Total_Formal_Charge	0
21914607	Undefined_Bond_Stereo_Count	0
13858	Mono_Isotopic_Weight	109.052763847
129631271	Molecular_Weight	289.15
247469	Covalent_Unit_Count	1
25192277	Hydrogen_Bond_Acceptor_Count	7
8248	Tautomer_Count	6
79846	Exact_Mass	121.9770716
6915836	Structure_Complexity	517
69834	Hydrogen_Bond_Donor_Count	0
1466	Covalent_Unit_Count	1
9955175	Hydrogen_Bond_Acceptor_Count	7
85693614	Rotatable_Bond_Count	3
12724398	Mono_Isotopic_Weight	112.100048391
13619723	TPSA	12
79004	Defined_Bond_Stereo_Count	0
54576693	Non-hydrogen_Atom_Count	28
44224066	TPSA	180
124514	Rotatable_Bond_Count	3
445258	Mono_Isotopic_Weight	195.89022
5216	TPSA	62.7
53883934	Isotope_Atom_Count	0
8620	Mono_Isotopic_Weight	279.824160
21666609	Total_Formal_Charge	0
57131009	Defined_Atom_Stereo_Count	0
54677977	Hydrogen_Bond_Acceptor_Count	6
3001055	Rotatable_Bond_Count	9
11581936	Total_Formal_Charge	0
99071	Molecular_Weight	323.5
138440	XLogP3-AA	0.8
10126019	Rotatable_Bond_Count	7
123966800	Molecular_Weight	111.10
1396	Undefined_Bond_Stereo_Count	0
16095400	Defined_Atom_Stereo_Count	0
13019077	Exact_Mass	416.32904526
71391745	Isotope_Atom_Count	0
6904	Defined_Bond_Stereo_Count	0
46782362	Mono_Isotopic_Weight	446.13339966
9551858	Hydrogen_Bond_Donor_Count	2
398578	Defined_Bond_Stereo_Count	0
10402760	XLogP3-AA	2
83717	Covalent_Unit_Count	1
6327799	Mono_Isotopic_Weight	585.53755822
16950	Molecular_Weight	290.27
601293	Hydrogen_Bond_Acceptor_Count	2
3035817	Isotope_Atom_Count	0
2904	Exact_Mass	379.0427261
44570888	Defined_Bond_Stereo_Count	0
65410	Undefined_Atom_Stereo_Count	2
73707487	Total_Formal_Charge	0
46782362	XLogP3	1.4
140233814	Defined_Atom_Stereo_Count	0
54587227	Non-hydrogen_Atom_Count	29
10856744	Mono_Isotopic_Weight	210.04629874
137938996	XLogP3-AA	0.2
64517	Mono_Isotopic_Weight	363.1601214
637090	Mono_Isotopic_Weight	86.036779430
5459811	Undefined_Atom_Stereo_Count	0
22277879	Defined_Atom_Stereo_Count	0
146681183	Undefined_Bond_Stereo_Count	0
11416	Covalent_Unit_Count	1
135495951	Exact_Mass	88.027277375
123870	Non-hydrogen_Atom_Count	11
135564985	Tautomer_Count	29
41575	TPSA	66.4
46841499	TPSA	139
940	Structure_Complexity	314
10099005	Total_Formal_Charge	0
107971	Rotatable_Bond_Count	4
148007841	Hydrogen_Bond_Acceptor_Count	1
33113	Hydrogen_Bond_Acceptor_Count	17
12711600	Structure_Complexity	72.9
709430	XLogP3-AA	2.4
69027241	Mono_Isotopic_Weight	95.037113783
140695	Defined_Atom_Stereo_Count	0
522002	Non-hydrogen_Atom_Count	8
15525237	Hydrogen_Bond_Acceptor_Count	2
3766	Hydrogen_Bond_Acceptor_Count	0
161664	Undefined_Atom_Stereo_Count	0
7381	Defined_Bond_Stereo_Count	0
62882	Isotope_Atom_Count	0
84647731	TPSA	29.5
3365553	Molecular_Weight	87.12
19836588	TPSA	9.2
5284441	Isotope_Atom_Count	0
6598	Non-hydrogen_Atom_Count	6
135538	TPSA	58.3
62784	Undefined_Bond_Stereo_Count	0
129009972	Isotope_Atom_Count	0
91772	Hydrogen_Bond_Acceptor_Count	9
5370052	Covalent_Unit_Count	1
80281	Rotatable_Bond_Count	17
12732836	Hydrogen_Bond_Acceptor_Count	1
11673085	Hydrogen_Bond_Donor_Count	2
9949648	TPSA	41.6
35364	TPSA	0
2835211	Isotope_Atom_Count	0
60988	Molecular_Weight	253.3
57458911	Structure_Complexity	364
5287958	Hydrogen_Bond_Acceptor_Count	18
52987646	Rotatable_Bond_Count	17
101707	Molecular_Weight	235.32
711239	Hydrogen_Bond_Donor_Count	0
5311424	Isotope_Atom_Count	0
38895	Molecular_Weight	636.9
9956726	Hydrogen_Bond_Acceptor_Count	9
6054	Rotatable_Bond_Count	2
3083714	Non-hydrogen_Atom_Count	78
9015	Covalent_Unit_Count	1
102385119	Undefined_Bond_Stereo_Count	0
516902	Hydrogen_Bond_Donor_Count	0
65495	Hydrogen_Bond_Donor_Count	1
85925	Molecular_Weight	142.28
538757	Non-hydrogen_Atom_Count	10
155713	TPSA	57.6
23675321	Mono_Isotopic_Weight	418.02692283
71081	Isotope_Atom_Count	0
5310969	Hydrogen_Bond_Acceptor_Count	3
12431566	TPSA	20.2
129865974	Rotatable_Bond_Count	22
78297	TPSA	115
119086018	Non-hydrogen_Atom_Count	8
129194081	Total_Formal_Charge	0
9020	Non-hydrogen_Atom_Count	10
22628430	Defined_Bond_Stereo_Count	0
129778798	Non-hydrogen_Atom_Count	8
21162823	Exact_Mass	102.068079557
12766	Exact_Mass	128.120115130
6780	Structure_Complexity	261
71622385	Molecular_Weight	152.19
43488	Tautomer_Count	1
76065	Undefined_Bond_Stereo_Count	0
71950363	Undefined_Atom_Stereo_Count	0
135415794	Hydrogen_Bond_Donor_Count	8
59907918	Hydrogen_Bond_Acceptor_Count	11
1740	Non-hydrogen_Atom_Count	13
439326	Structure_Complexity	579
129016768	Hydrogen_Bond_Acceptor_Count	2
153997	Total_Formal_Charge	0
67736	Mono_Isotopic_Weight	945.85178
2108	Isotope_Atom_Count	0
494148	TPSA	108
68396089	Mono_Isotopic_Weight	114.104465066
6184351	XLogP3-AA	2.2
13567	Non-hydrogen_Atom_Count	8
121232443	Total_Formal_Charge	0
54353190	Undefined_Bond_Stereo_Count	0
556498	Undefined_Atom_Stereo_Count	4
5160	Isotope_Atom_Count	0
122077	Isotope_Atom_Count	0
91133104	Defined_Atom_Stereo_Count	0
1747818	Tautomer_Count	1
25195253	Mono_Isotopic_Weight	342.0746753
54676840	TPSA	95.2
446157	Defined_Bond_Stereo_Count	1
24181320	Molecular_Weight	343.27
5280795	Undefined_Atom_Stereo_Count	0
52905	Structure_Complexity	203
123969717	Defined_Atom_Stereo_Count	0
72163100	Isotope_Atom_Count	0
62766	Covalent_Unit_Count	2
3058754	Non-hydrogen_Atom_Count	27
3388	Undefined_Atom_Stereo_Count	0
73653998	Non-hydrogen_Atom_Count	8
537593	Structure_Complexity	118
856278	Covalent_Unit_Count	1
103023	Non-hydrogen_Atom_Count	11
10687	Defined_Atom_Stereo_Count	0
139081225	Total_Formal_Charge	0
57057056	Hydrogen_Bond_Donor_Count	1
53717135	Defined_Atom_Stereo_Count	0
102090390	Isotope_Atom_Count	0
5396	Hydrogen_Bond_Acceptor_Count	14
688323	Total_Formal_Charge	0
15189029	Molecular_Weight	101.15
151994	Undefined_Atom_Stereo_Count	0
139060830	Mono_Isotopic_Weight	269.116426730
142383	Mono_Isotopic_Weight	98.073164938
528166	Exact_Mass	94.078250319
2745	Defined_Atom_Stereo_Count	0
66304	Tautomer_Count	1
10230	Structure_Complexity	167
5877292	TPSA	26.3
42611257	XLogP3-AA	5
5367706	Hydrogen_Bond_Acceptor_Count	2
93131	Tautomer_Count	1
7078557	Defined_Bond_Stereo_Count	0
57258462	Covalent_Unit_Count	1
53317131	Undefined_Bond_Stereo_Count	0
123867503	Exact_Mass	108.093900383
86278347	Molecular_Weight	447.5
5311356	Structure_Complexity	653
71541098	Exact_Mass	255.0581549
139078609	TPSA	136
66836	XLogP3	2.3
8257	Exact_Mass	86.073164938
8839	Non-hydrogen_Atom_Count	21
24721276	Hydrogen_Bond_Donor_Count	1
50938	Molecular_Weight	257.37
442070	Rotatable_Bond_Count	1
12289749	Defined_Bond_Stereo_Count	0
50922675	Total_Formal_Charge	0
5277135	Isotope_Atom_Count	0
284161	Undefined_Bond_Stereo_Count	0
10287749	Exact_Mass	413.30422750
301567	Hydrogen_Bond_Acceptor_Count	1
702186	Defined_Bond_Stereo_Count	0
129851046	Isotope_Atom_Count	0
11934	TPSA	0
7701	Mono_Isotopic_Weight	261.245649993
3086514	Structure_Complexity	379
53762932	Defined_Bond_Stereo_Count	0
45357714	Undefined_Bond_Stereo_Count	0
70198	Hydrogen_Bond_Acceptor_Count	1
158800	Exact_Mass	785.45615581
9940086	TPSA	174
609	Non-hydrogen_Atom_Count	16
55080	Hydrogen_Bond_Donor_Count	0
130055354	Defined_Atom_Stereo_Count	0
442912	Hydrogen_Bond_Donor_Count	1
10801933	Exact_Mass	97.089149355
160889158	Structure_Complexity	87.4
80900	Undefined_Atom_Stereo_Count	0
55287682	Undefined_Bond_Stereo_Count	0
14078850	Non-hydrogen_Atom_Count	64
2762809	Isotope_Atom_Count	0
5462508	Non-hydrogen_Atom_Count	20
30856	Undefined_Atom_Stereo_Count	0
53317121	Isotope_Atom_Count	0
24949245	XLogP3-AA	3.8
5366244	Hydrogen_Bond_Donor_Count	1
13270940	Rotatable_Bond_Count	0
11951726	Exact_Mass	388.11693871
3677	Rotatable_Bond_Count	3
3033825	Non-hydrogen_Atom_Count	21
57164040	Molecular_Weight	645.7
17109	Defined_Bond_Stereo_Count	0
153722581	Isotope_Atom_Count	0
39094	Total_Formal_Charge	0
15228410	Hydrogen_Bond_Donor_Count	0
23565353	Non-hydrogen_Atom_Count	8
2987927	Mono_Isotopic_Weight	292.08816355
8310	Non-hydrogen_Atom_Count	20
60503	Tautomer_Count	2
150309	Mono_Isotopic_Weight	303.162314293
162413	Defined_Atom_Stereo_Count	0
53249491	Undefined_Bond_Stereo_Count	0
6852167	TPSA	145
877	Defined_Atom_Stereo_Count	0
135403591	Hydrogen_Bond_Acceptor_Count	3
5208	Tautomer_Count	15
117214253	TPSA	74.9
644113	Undefined_Bond_Stereo_Count	0
90750	Exact_Mass	291.173547683
90472752	Tautomer_Count	1
40839	Defined_Atom_Stereo_Count	9
16212088	Hydrogen_Bond_Acceptor_Count	4
7436	Covalent_Unit_Count	1
19851629	Undefined_Atom_Stereo_Count	0
73640	Covalent_Unit_Count	1
57399426	TPSA	52.6
12415	Total_Formal_Charge	0
14570995	Hydrogen_Bond_Donor_Count	0
12596294	Defined_Atom_Stereo_Count	0
3430	Total_Formal_Charge	0
70678896	Hydrogen_Bond_Acceptor_Count	18
71583494	Mono_Isotopic_Weight	413.18517499
23664290	Undefined_Bond_Stereo_Count	0
79865794	Structure_Complexity	118
39094	Mono_Isotopic_Weight	303.125928785
21221940	Isotope_Atom_Count	0
3746	Total_Formal_Charge	1
54586481	Isotope_Atom_Count	0
89314354	Covalent_Unit_Count	1
16692	Structure_Complexity	254
6043	Tautomer_Count	2
48483	Structure_Complexity	342
60717	Undefined_Bond_Stereo_Count	0
6328534	Non-hydrogen_Atom_Count	60
67805120	Covalent_Unit_Count	1
10072	Hydrogen_Bond_Donor_Count	0
17860	Exact_Mass	177.126597491
15448	Undefined_Atom_Stereo_Count	1
37461	Undefined_Atom_Stereo_Count	0
1150897	Structure_Complexity	573
11545958	XLogP3-AA	3.1
10953798	Structure_Complexity	0
64421	Total_Formal_Charge	0
208923	Mono_Isotopic_Weight	452.23112213
6433951	Molecular_Weight	370.4
5388977	Structure_Complexity	585
15565709	Mono_Isotopic_Weight	406.06588
785244	Defined_Atom_Stereo_Count	2
11148955	Undefined_Atom_Stereo_Count	1
5937	Structure_Complexity	345
71734	Covalent_Unit_Count	1
7659	Defined_Bond_Stereo_Count	0
688095	Total_Formal_Charge	0
4287	TPSA	97.6
6852147	Undefined_Atom_Stereo_Count	0
10997105	Structure_Complexity	116
101142583	Exact_Mass	217.11883203
56840877	Rotatable_Bond_Count	0
13083754	Defined_Atom_Stereo_Count	0
81653	Tautomer_Count	1
40772	Defined_Atom_Stereo_Count	0
6795	Undefined_Bond_Stereo_Count	0
71587119	Rotatable_Bond_Count	12
147089	Non-hydrogen_Atom_Count	17
11829353	Total_Formal_Charge	0
130054486	Covalent_Unit_Count	1
18509379	Defined_Atom_Stereo_Count	0
70128954	Hydrogen_Bond_Acceptor_Count	1
122522140	Defined_Atom_Stereo_Count	2
10948838	Non-hydrogen_Atom_Count	26
86736	Undefined_Bond_Stereo_Count	0
6604438	Hydrogen_Bond_Donor_Count	4
206044	Undefined_Atom_Stereo_Count	0
10531	Defined_Bond_Stereo_Count	0
163883593	TPSA	67.8
231971	Defined_Bond_Stereo_Count	0
1732	Isotope_Atom_Count	0
123690360	Total_Formal_Charge	0
14151226	Undefined_Atom_Stereo_Count	0
5365585	Molecular_Weight	248.4
21916	TPSA	12.5
5283740	Structure_Complexity	688
12156911	Mono_Isotopic_Weight	91.042199164
8629	Structure_Complexity	964
1328	XLogP3	2.9
9883002	Molecular_Weight	306.4
7722	Undefined_Atom_Stereo_Count	0
26136	Total_Formal_Charge	0
61739	Molecular_Weight	51.45
8411	Covalent_Unit_Count	1
91538	Rotatable_Bond_Count	1
73795	Covalent_Unit_Count	1
135398593	Non-hydrogen_Atom_Count	18
6536864	Defined_Bond_Stereo_Count	1
44555481	Hydrogen_Bond_Donor_Count	0
345088	Undefined_Atom_Stereo_Count	0
75657	Molecular_Weight	127.18
12951488	Isotope_Atom_Count	0
10658	Mono_Isotopic_Weight	186.031694049
10314049	Rotatable_Bond_Count	3
41743	Hydrogen_Bond_Acceptor_Count	3
60663	Defined_Atom_Stereo_Count	2
179338	Isotope_Atom_Count	0
443380	Defined_Atom_Stereo_Count	1
11055399	Undefined_Bond_Stereo_Count	0
128423	Total_Formal_Charge	0
23521592	Total_Formal_Charge	0
8119	Rotatable_Bond_Count	0
1706	Molecular_Weight	178.23
123840	Non-hydrogen_Atom_Count	23
129627254	Mono_Isotopic_Weight	676.4251867
46244173	Covalent_Unit_Count	1
7019	Non-hydrogen_Atom_Count	15
67978393	Total_Formal_Charge	0
21322953	Hydrogen_Bond_Acceptor_Count	2
6321422	Hydrogen_Bond_Donor_Count	0
11206	Total_Formal_Charge	0
73820465	Exact_Mass	482.15768240
12009213	Hydrogen_Bond_Donor_Count	0
105	Hydrogen_Bond_Acceptor_Count	7
53315786	Molecular_Weight	527.5
17995822	TPSA	51.2
13925600	Defined_Bond_Stereo_Count	0
96665	Undefined_Atom_Stereo_Count	0
6901	Mono_Isotopic_Weight	257.813116
89748954	Hydrogen_Bond_Donor_Count	1
734999	Defined_Atom_Stereo_Count	0
87458296	Hydrogen_Bond_Donor_Count	0
136664419	Rotatable_Bond_Count	5
20592404	Isotope_Atom_Count	0
87524	Exact_Mass	366.24062418
12603472	Total_Formal_Charge	0
136069	Tautomer_Count	1
443948	Molecular_Weight	814.0
4095801	Defined_Bond_Stereo_Count	0
125	Hydrogen_Bond_Donor_Count	2
745	Hydrogen_Bond_Acceptor_Count	8
63079	Molecular_Weight	360.9
62949	Exact_Mass	268.11063033
46942	Non-hydrogen_Atom_Count	14
3012	Undefined_Atom_Stereo_Count	0
12546244	Structure_Complexity	142
57399672	Covalent_Unit_Count	1
2733352	Undefined_Bond_Stereo_Count	0
6419807	TPSA	51.4
9964079	TPSA	64.2
108675	Covalent_Unit_Count	1
156432753	Non-hydrogen_Atom_Count	8
22263119	Rotatable_Bond_Count	1
3890	Hydrogen_Bond_Acceptor_Count	5
15980171	Defined_Atom_Stereo_Count	0
197066	Mono_Isotopic_Weight	447.20055027
220834	Exact_Mass	140.083729621
30154	Mono_Isotopic_Weight	98.950726
22720	Exact_Mass	103.099714038
156120	Covalent_Unit_Count	1
7283	Covalent_Unit_Count	1
1368742	Covalent_Unit_Count	1
562	Molecular_Weight	162.21
21608018	Isotope_Atom_Count	0
151090	Hydrogen_Bond_Donor_Count	1
31297	Undefined_Bond_Stereo_Count	0
7011	Hydrogen_Bond_Donor_Count	1
39266	Covalent_Unit_Count	1
97727	Total_Formal_Charge	0
2083	TPSA	72.7
139085	XLogP3-AA	3.4
101497	Total_Formal_Charge	0
135513267	Total_Formal_Charge	0
67420901	Exact_Mass	110.048012819
61375	Molecular_Weight	156.22
10021362	Defined_Atom_Stereo_Count	2
135013065	Molecular_Weight	115.17
30065	Rotatable_Bond_Count	5
62656	Defined_Atom_Stereo_Count	0
87110	Hydrogen_Bond_Acceptor_Count	0
9874175	Mono_Isotopic_Weight	640.36247064
27123	Non-hydrogen_Atom_Count	32
6384	Molecular_Weight	148.91
216258	Defined_Bond_Stereo_Count	0
23566493	Rotatable_Bond_Count	0
4473	Covalent_Unit_Count	1
130145308	TPSA	40.5
62383	Structure_Complexity	57.6
701718	Hydrogen_Bond_Acceptor_Count	5
2347	Exact_Mass	312.13615911
7767	Total_Formal_Charge	0
53555	Undefined_Atom_Stereo_Count	0
8381	Defined_Atom_Stereo_Count	0
6971	Undefined_Bond_Stereo_Count	0
68321924	TPSA	80.8
20205	Mono_Isotopic_Weight	102.068079557
14380	Covalent_Unit_Count	1
663894	Hydrogen_Bond_Donor_Count	0
10695961	Defined_Atom_Stereo_Count	2
5362772	Isotope_Atom_Count	0
53799855	Undefined_Bond_Stereo_Count	0
4567	Defined_Atom_Stereo_Count	0
6101	Non-hydrogen_Atom_Count	11
57503849	Hydrogen_Bond_Donor_Count	8
36149	TPSA	93.1
198498	Defined_Bond_Stereo_Count	0
55992	TPSA	75.4
3556	Defined_Atom_Stereo_Count	0
140083	Total_Formal_Charge	0
54393203	Total_Formal_Charge	0
63833	Undefined_Bond_Stereo_Count	0
15567528	Hydrogen_Bond_Donor_Count	2
54192929	Total_Formal_Charge	0
5281727	Hydrogen_Bond_Acceptor_Count	3
5486821	Undefined_Bond_Stereo_Count	0
10038849	Defined_Bond_Stereo_Count	0
656668	Tautomer_Count	5
11122452	Defined_Bond_Stereo_Count	0
3811882	Defined_Atom_Stereo_Count	0
123630	Hydrogen_Bond_Donor_Count	1
44620953	Undefined_Atom_Stereo_Count	0
517165	Undefined_Atom_Stereo_Count	0
23547760	Hydrogen_Bond_Acceptor_Count	1
19876500	Hydrogen_Bond_Donor_Count	0
55285004	Hydrogen_Bond_Acceptor_Count	2
117188816	Defined_Bond_Stereo_Count	0
67413	Structure_Complexity	467
6857497	Molecular_Weight	227.34
85939688	Total_Formal_Charge	0
11987858	Undefined_Atom_Stereo_Count	0
22057968	Defined_Atom_Stereo_Count	0
129859050	Undefined_Atom_Stereo_Count	1
111878	TPSA	35.2
41897	Isotope_Atom_Count	0
102515495	Structure_Complexity	285
3605	TPSA	389
39238	Hydrogen_Bond_Acceptor_Count	1
445929	Total_Formal_Charge	0
11248978	Total_Formal_Charge	0
2402	Non-hydrogen_Atom_Count	34
210	Undefined_Bond_Stereo_Count	0
65853	Isotope_Atom_Count	0
12625720	TPSA	9.2
9248	Tautomer_Count	1
9870652	Hydrogen_Bond_Acceptor_Count	6
19065710	Non-hydrogen_Atom_Count	8
134506	Exact_Mass	288.208930132
9885850	Exact_Mass	371.9538468
57403932	Total_Formal_Charge	0
24883735	Mono_Isotopic_Weight	408.28757437
16036578	Structure_Complexity	506
54693768	Undefined_Atom_Stereo_Count	2
8299	Exact_Mass	74.036779430
67060	Total_Formal_Charge	0
282752	Mono_Isotopic_Weight	245.0091000
123809	Undefined_Atom_Stereo_Count	1
18670	XLogP3-AA	11.4
2734920	Mono_Isotopic_Weight	143.01941286
50294	Hydrogen_Bond_Donor_Count	2
6954	Hydrogen_Bond_Acceptor_Count	7
12002774	TPSA	17.8
294864	Rotatable_Bond_Count	1
64328	Hydrogen_Bond_Acceptor_Count	2
21414	Defined_Atom_Stereo_Count	0
61098	Mono_Isotopic_Weight	210.161979940
28495	Mono_Isotopic_Weight	181.03750770
74279	Total_Formal_Charge	0
185460	Hydrogen_Bond_Acceptor_Count	5
49721	Rotatable_Bond_Count	2
17473	Covalent_Unit_Count	1
30175	Isotope_Atom_Count	0
59471599	XLogP3-AA	0
47170034	Undefined_Bond_Stereo_Count	0
13009	Total_Formal_Charge	0
59325	Mono_Isotopic_Weight	386.1397203
439587	Non-hydrogen_Atom_Count	22
18156	Exact_Mass	268.04840674
6603836	XLogP3-AA	7.6
443067	Defined_Atom_Stereo_Count	1
22712811	Rotatable_Bond_Count	0
9883259	Tautomer_Count	5
121733	Exact_Mass	181.110278721
14020410	Total_Formal_Charge	0
20517177	Covalent_Unit_Count	1
5281771	Undefined_Bond_Stereo_Count	0
6538999	Mono_Isotopic_Weight	485.1385304
42623223	Undefined_Atom_Stereo_Count	0
117479	Defined_Bond_Stereo_Count	0
97012111	Molecular_Weight	342.30
96257	Hydrogen_Bond_Acceptor_Count	6
139254656	Defined_Atom_Stereo_Count	0
711656	Rotatable_Bond_Count	0
73386890	Rotatable_Bond_Count	8
651092	Exact_Mass	331.10314248
1364	Structure_Complexity	624
182645	Tautomer_Count	1
12995	Defined_Atom_Stereo_Count	0
57404062	Exact_Mass	616.34721450
54493369	Undefined_Bond_Stereo_Count	0
40537360	Total_Formal_Charge	0
348669	Hydrogen_Bond_Acceptor_Count	6
2568	Non-hydrogen_Atom_Count	10
14129	Undefined_Atom_Stereo_Count	0
156758105	Covalent_Unit_Count	1
5488631	Defined_Bond_Stereo_Count	0
34319	Non-hydrogen_Atom_Count	14
19357220	Non-hydrogen_Atom_Count	8
70499	Undefined_Atom_Stereo_Count	0
3500	Isotope_Atom_Count	0
2754342	Mono_Isotopic_Weight	176.12348643
71833	Total_Formal_Charge	0
6432459	Exact_Mass	303.14705815
78284	Defined_Bond_Stereo_Count	0
9796590	Non-hydrogen_Atom_Count	23
32243	Isotope_Atom_Count	0
11297956	Isotope_Atom_Count	0
118210808	Undefined_Atom_Stereo_Count	2
2131	Exact_Mass	536.2684820
7173	Undefined_Atom_Stereo_Count	0
498716	Exact_Mass	40.0358543
9838356	Non-hydrogen_Atom_Count	20
122706285	Mono_Isotopic_Weight	338.01513155
8054	Exact_Mass	118.062994177
6950353	Defined_Bond_Stereo_Count	0
9547919	Isotope_Atom_Count	0
39385	Molecular_Weight	293.75
445461	Total_Formal_Charge	0
16543	Rotatable_Bond_Count	0
5464090	TPSA	159
123047	Total_Formal_Charge	0
351	Covalent_Unit_Count	1
135177116	Covalent_Unit_Count	1
13925600	TPSA	20.2
23672329	Molecular_Weight	228.27
444041	Structure_Complexity	1480
3865578	TPSA	49.4
5883	Undefined_Bond_Stereo_Count	0
115348	Isotope_Atom_Count	0
54075	Undefined_Bond_Stereo_Count	0
9920369	Hydrogen_Bond_Donor_Count	0
135424747	Exact_Mass	676.11560492
197883	Molecular_Weight	182.2
11026	Rotatable_Bond_Count	0
31779	Covalent_Unit_Count	1
61672	Undefined_Bond_Stereo_Count	0
33500	Molecular_Weight	347.29
49862629	Structure_Complexity	628
73553786	Undefined_Bond_Stereo_Count	0
123215474	Structure_Complexity	76.8
21954272	Hydrogen_Bond_Acceptor_Count	1
62810	Undefined_Atom_Stereo_Count	0
12386566	Non-hydrogen_Atom_Count	20
7060524	Tautomer_Count	1
21326601	Molecular_Weight	116.16
62773515	Rotatable_Bond_Count	1
10771356	TPSA	180
15951487	Non-hydrogen_Atom_Count	28
119171	Undefined_Bond_Stereo_Count	0
14671559	Undefined_Atom_Stereo_Count	0
12278295	Undefined_Atom_Stereo_Count	0
3483736	TPSA	27.6
135506152	Molecular_Weight	112.09
7597	Defined_Atom_Stereo_Count	0
9832912	Covalent_Unit_Count	1
49865920	Exact_Mass	350.199428076
82145	Total_Formal_Charge	0
59983745	TPSA	29.1
114359	Hydrogen_Bond_Donor_Count	3
106312	Undefined_Bond_Stereo_Count	0
446286	Defined_Atom_Stereo_Count	1
18805	Isotope_Atom_Count	0
53317992	Structure_Complexity	174
17310	Defined_Bond_Stereo_Count	0
25091037	Rotatable_Bond_Count	37
55472	Structure_Complexity	487
5087	Defined_Bond_Stereo_Count	0
46529	TPSA	12.9
66297	TPSA	0
129657393	Isotope_Atom_Count	0
7628	TPSA	60.7
12540922	Exact_Mass	112.088815002
941385	Defined_Atom_Stereo_Count	2
101796201	Defined_Bond_Stereo_Count	0
124823816	Defined_Atom_Stereo_Count	9
34695	Exact_Mass	106.078250319
102514067	Structure_Complexity	123
18713388	Isotope_Atom_Count	0
42174	Total_Formal_Charge	0
21889252	Defined_Bond_Stereo_Count	0
70034488	Defined_Bond_Stereo_Count	0
91027156	TPSA	46.2
135802074	Mono_Isotopic_Weight	601.1656603
1621	Isotope_Atom_Count	0
10582477	Structure_Complexity	352
25758	Hydrogen_Bond_Donor_Count	1
9215	Tautomer_Count	1
14510945	Hydrogen_Bond_Acceptor_Count	2
83648	Undefined_Bond_Stereo_Count	0
53970191	Molecular_Weight	112.17
21932698	XLogP3-AA	3.8
13607	XLogP3-AA	1.9
17671	Structure_Complexity	206
70695634	Tautomer_Count	1
12104	Hydrogen_Bond_Donor_Count	0
101417753	Non-hydrogen_Atom_Count	16
23724526	Mono_Isotopic_Weight	383.10961
23896	XLogP3	4.2
137724	Tautomer_Count	1
146158032	Hydrogen_Bond_Acceptor_Count	5
58501	Defined_Atom_Stereo_Count	0
3096300	Total_Formal_Charge	0
5951	Defined_Atom_Stereo_Count	1
62760	Defined_Atom_Stereo_Count	0
135566433	Structure_Complexity	557
29675	Hydrogen_Bond_Donor_Count	3
13710589	Exact_Mass	78.01393598
12508224	TPSA	9.2
53432920	Mono_Isotopic_Weight	96.093900383
129636415	TPSA	180
23533634	Hydrogen_Bond_Donor_Count	1
68405	Covalent_Unit_Count	3
44310946	Undefined_Atom_Stereo_Count	0
6024	TPSA	167
3758	Hydrogen_Bond_Donor_Count	1
12745213	Non-hydrogen_Atom_Count	8
112553	Exact_Mass	168.115029749
56834575	Molecular_Weight	465.5
30987	Defined_Atom_Stereo_Count	0
154809859	Mono_Isotopic_Weight	665.30474055
55284122	Hydrogen_Bond_Acceptor_Count	2
275933	Molecular_Weight	119.16
62705859	Mono_Isotopic_Weight	457.14740733
21580808	Molecular_Weight	273.37
107502	Hydrogen_Bond_Donor_Count	3
99646	Exact_Mass	358.14163842
63958	Structure_Complexity	567
30220	Non-hydrogen_Atom_Count	9
8310	Hydrogen_Bond_Acceptor_Count	6
9601349	Isotope_Atom_Count	0
88398	Defined_Bond_Stereo_Count	0
23279312	Undefined_Bond_Stereo_Count	0
62097	XLogP3-AA	2.1
3444	Defined_Bond_Stereo_Count	0
53483390	Hydrogen_Bond_Donor_Count	6
19702729	Hydrogen_Bond_Acceptor_Count	3
123867503	Hydrogen_Bond_Acceptor_Count	0
28500	Defined_Atom_Stereo_Count	0
11587639	Molecular_Weight	310.4
118210118	Covalent_Unit_Count	1
61614676	Structure_Complexity	227
139356	Defined_Atom_Stereo_Count	0
25093303	Molecular_Weight	334.4
9023	Molecular_Weight	87.12
9010	Hydrogen_Bond_Acceptor_Count	9
166473353	Structure_Complexity	94.7
106824140	Molecular_Weight	115.13
71360804	Structure_Complexity	272
131674917	Total_Formal_Charge	0
162944617	Undefined_Bond_Stereo_Count	0
59221	TPSA	29.1
22979	Undefined_Atom_Stereo_Count	0
6973640	Non-hydrogen_Atom_Count	11
11217523	Defined_Atom_Stereo_Count	2
449069	Molecular_Weight	242.32
53584	Undefined_Bond_Stereo_Count	0
4603	Exact_Mass	312.20490738
76337	Isotope_Atom_Count	0
20206342	Molecular_Weight	83.09
12719155	Exact_Mass	420.396730897
20502	TPSA	46.7
12209630	Defined_Bond_Stereo_Count	0
51585	Tautomer_Count	1
12872197	Mono_Isotopic_Weight	100.052429494
533863	Molecular_Weight	102.05
2281	Defined_Bond_Stereo_Count	0
9188	Total_Formal_Charge	0
13351229	Hydrogen_Bond_Donor_Count	2
21492	Total_Formal_Charge	0
16097729	Defined_Atom_Stereo_Count	0
9884820	Rotatable_Bond_Count	3
83976	Mono_Isotopic_Weight	908.4471039
243556	Defined_Atom_Stereo_Count	0
550525	Molecular_Weight	338.60
4914498	TPSA	20.2
154685136	Total_Formal_Charge	0
1071	Undefined_Bond_Stereo_Count	4
2973198	Isotope_Atom_Count	0
61930	Isotope_Atom_Count	0
9813758	Undefined_Bond_Stereo_Count	0
291446	Isotope_Atom_Count	0
135564847	Hydrogen_Bond_Donor_Count	8
22166430	Rotatable_Bond_Count	2
48889	Mono_Isotopic_Weight	319.896540
57048209	Defined_Bond_Stereo_Count	0
23676152	Molecular_Weight	248.25
5280896	Rotatable_Bond_Count	3
329061	Structure_Complexity	72.8
13847709	Defined_Atom_Stereo_Count	1
6358	Total_Formal_Charge	0
18446289	Structure_Complexity	105
10262683	Isotope_Atom_Count	0
84605	Mono_Isotopic_Weight	196.0978555
6961	TPSA	149
17846631	Mono_Isotopic_Weight	224.08136064
69807449	Total_Formal_Charge	0
7410	Total_Formal_Charge	0
10026604	Hydrogen_Bond_Acceptor_Count	5
59269371	Hydrogen_Bond_Acceptor_Count	2
185554	Exact_Mass	102.068079557
84647680	Covalent_Unit_Count	1
164877	XLogP3-AA	5
58913258	Defined_Bond_Stereo_Count	0
418296	Exact_Mass	831.112418
353481	Mono_Isotopic_Weight	495.16014201
1024	TPSA	175
11073358	Mono_Isotopic_Weight	102.068079557
79488	Hydrogen_Bond_Acceptor_Count	1
81844	TPSA	17.1
51030054	Hydrogen_Bond_Donor_Count	0
102515443	Covalent_Unit_Count	1
291	Total_Formal_Charge	1
3803614	Molecular_Weight	95.14
50894	Molecular_Weight	308.37
67236438	Tautomer_Count	3
81416328	Mono_Isotopic_Weight	114.104465066
54025583	TPSA	33
87532	Hydrogen_Bond_Donor_Count	0
68700720	Non-hydrogen_Atom_Count	7
347	Defined_Atom_Stereo_Count	0
40467016	Undefined_Bond_Stereo_Count	0
274234	Undefined_Bond_Stereo_Count	0
22627013	Undefined_Bond_Stereo_Count	0
176871	Mono_Isotopic_Weight	429.1455339
101610369	Total_Formal_Charge	0
16217215	Isotope_Atom_Count	0
114905	Exact_Mass	509.27371521
69251960	Molecular_Weight	112.09
17865	Exact_Mass	277.947962
67108333	Rotatable_Bond_Count	4
138107566	Non-hydrogen_Atom_Count	30
9947	Undefined_Atom_Stereo_Count	0
125556	Exact_Mass	130.074227566
8317	Total_Formal_Charge	0
139181052	Total_Formal_Charge	0
60149	Isotope_Atom_Count	0
94398	Defined_Atom_Stereo_Count	0
27655	Undefined_Atom_Stereo_Count	1
4426	Rotatable_Bond_Count	4
93143	Structure_Complexity	210
82851	Defined_Bond_Stereo_Count	0
160230029	XLogP3-AA	0.8
398675	Hydrogen_Bond_Donor_Count	0
58436	Total_Formal_Charge	0
97120	Defined_Atom_Stereo_Count	0
995634	XLogP3-AA	5.3
14741640	Defined_Bond_Stereo_Count	0
155346	Molecular_Weight	287.36
12468309	Defined_Bond_Stereo_Count	0
15827	Structure_Complexity	57.4
5361250	Hydrogen_Bond_Acceptor_Count	5
106701	TPSA	26.3
14029615	Defined_Atom_Stereo_Count	1
3686	Undefined_Bond_Stereo_Count	0
27808	Tautomer_Count	3
71363036	Non-hydrogen_Atom_Count	21
8888	Hydrogen_Bond_Acceptor_Count	1
276561	XLogP3-AA	0.9
71352766	Non-hydrogen_Atom_Count	20
7702	TPSA	9.2
476	Non-hydrogen_Atom_Count	14
72683639	Isotope_Atom_Count	0
5284419	Exact_Mass	624.20542044
139192	Isotope_Atom_Count	0
3037161	Defined_Atom_Stereo_Count	1
4675	Rotatable_Bond_Count	6
331531	Rotatable_Bond_Count	4
4211	Hydrogen_Bond_Acceptor_Count	0
91523740	Molecular_Weight	110.20
42985	Tautomer_Count	4
66623496	Isotope_Atom_Count	0
57981493	Total_Formal_Charge	0
3394	TPSA	37.3
5365794	Exact_Mass	226.193280068
101191397	Undefined_Atom_Stereo_Count	1
87829093	Undefined_Atom_Stereo_Count	0
12637622	Total_Formal_Charge	0
4571243	Exact_Mass	342.29123426
398561	Molecular_Weight	372.9
23667651	Non-hydrogen_Atom_Count	9
571	Non-hydrogen_Atom_Count	19
22833307	Mono_Isotopic_Weight	162.140850574
40605	Exact_Mass	293.01535022
22983309	Molecular_Weight	110.20
3017661	Undefined_Bond_Stereo_Count	0
91753565	Covalent_Unit_Count	1
400769	Exact_Mass	505.31920885
762788	Undefined_Atom_Stereo_Count	0
123904644	Undefined_Atom_Stereo_Count	3
316724	Isotope_Atom_Count	0
5056	XLogP3-AA	3.1
71484	Isotope_Atom_Count	0
135398727	Exact_Mass	363.05799942
2998	Defined_Bond_Stereo_Count	0
64832	Non-hydrogen_Atom_Count	14
71449859	XLogP3-AA	3.2
101047267	Structure_Complexity	386
70465919	Covalent_Unit_Count	1
129866430	Isotope_Atom_Count	0
4868	Defined_Bond_Stereo_Count	0
147201521	Molecular_Weight	113.20
83163	Undefined_Atom_Stereo_Count	0
42710	Molecular_Weight	361.9
142262	Total_Formal_Charge	0
58044734	Mono_Isotopic_Weight	99.068413911
159470	Molecular_Weight	221.30
23729877	Total_Formal_Charge	0
9209	Isotope_Atom_Count	0
12021642	Hydrogen_Bond_Donor_Count	1
5046	Mono_Isotopic_Weight	375.15829154
23664617	Hydrogen_Bond_Donor_Count	0
43146	Mono_Isotopic_Weight	251.131014166
22882	Non-hydrogen_Atom_Count	21
6438028	Molecular_Weight	394.7
10333656	Undefined_Atom_Stereo_Count	0
8305	Covalent_Unit_Count	1
54585643	Molecular_Weight	416.4
4544	Undefined_Bond_Stereo_Count	0
9834478	Exact_Mass	226.05897142
520554	Non-hydrogen_Atom_Count	6
20465	Undefined_Atom_Stereo_Count	1
23083536	Mono_Isotopic_Weight	110.109550447
53801928	Total_Formal_Charge	0
55290197	Hydrogen_Bond_Donor_Count	2
53316407	Exact_Mass	531.16601780
10910992	Undefined_Atom_Stereo_Count	0
121494085	Hydrogen_Bond_Acceptor_Count	55
443879	Tautomer_Count	90
441853	XLogP3	0.8
12323351	Structure_Complexity	66.7
15232	TPSA	248
21201338	Defined_Bond_Stereo_Count	0
164668700	Non-hydrogen_Atom_Count	8
637820	Rotatable_Bond_Count	6
5113032	Rotatable_Bond_Count	1
4178	Undefined_Atom_Stereo_Count	1
285118	Hydrogen_Bond_Donor_Count	0
120738	Tautomer_Count	1
135659016	Non-hydrogen_Atom_Count	63
13578	Defined_Atom_Stereo_Count	0
3026856	Undefined_Atom_Stereo_Count	0
46839628	Exact_Mass	179.02522894
30623	Rotatable_Bond_Count	3
129849	XLogP3-AA	11.6
3033017	Covalent_Unit_Count	1
12285890	Exact_Mass	181.06674293
135403832	XLogP3-AA	1.9
19920	Hydrogen_Bond_Donor_Count	0
432824	Total_Formal_Charge	0
66525	XLogP3-AA	5.9
348256	Rotatable_Bond_Count	1
54023308	Hydrogen_Bond_Acceptor_Count	1
3017295	Structure_Complexity	110
3080825	Hydrogen_Bond_Donor_Count	2
17930361	Covalent_Unit_Count	1
5047209	XLogP3-AA	0.5
2723631	Defined_Bond_Stereo_Count	0
12251381	Non-hydrogen_Atom_Count	8
1728	Molecular_Weight	344.4
20135774	Molecular_Weight	167.59
931	Defined_Bond_Stereo_Count	0
46926360	Molecular_Weight	396.4
9053	TPSA	74.6
25750	Tautomer_Count	1
53846435	Isotope_Atom_Count	0
54706667	Hydrogen_Bond_Acceptor_Count	4
446210	Structure_Complexity	673
16541	Hydrogen_Bond_Donor_Count	0
57048209	TPSA	20.2
13624608	Hydrogen_Bond_Donor_Count	1
18424867	Exact_Mass	101.022526347
92434	Rotatable_Bond_Count	8
20165534	Total_Formal_Charge	0
18273	Tautomer_Count	1
3036443	Total_Formal_Charge	0
10034060	Molecular_Weight	1050.2
47445	Covalent_Unit_Count	1
169235	Total_Formal_Charge	0
19370497	Rotatable_Bond_Count	0
78090	Defined_Atom_Stereo_Count	0
32359	Hydrogen_Bond_Acceptor_Count	3
9407	Isotope_Atom_Count	0
11408688	Exact_Mass	465.1585972
71406	Isotope_Atom_Count	0
373949	Structure_Complexity	193
18366133	Hydrogen_Bond_Donor_Count	1
23677992	Hydrogen_Bond_Acceptor_Count	6
4409936	XLogP3	2.1
26470417	Defined_Bond_Stereo_Count	0
57960428	Exact_Mass	101.084063974
60924	Structure_Complexity	293
86574136	Isotope_Atom_Count	0
63260	Exact_Mass	394.17936134
5282425	Exact_Mass	331.1161486
11829372	Covalent_Unit_Count	1
16213473	Molecular_Weight	672.9
123071	Hydrogen_Bond_Acceptor_Count	4
68840	Hydrogen_Bond_Acceptor_Count	1
11539562	Structure_Complexity	722
57228285	Undefined_Atom_Stereo_Count	0
227804	Structure_Complexity	107
25142042	Mono_Isotopic_Weight	408.19615422
146689208	Mono_Isotopic_Weight	110.073164938
6419708	Structure_Complexity	567
16498	Exact_Mass	152.083729621
90698789	Undefined_Atom_Stereo_Count	0
41	Mono_Isotopic_Weight	242.00139624
3077451	Non-hydrogen_Atom_Count	8
5378015	Rotatable_Bond_Count	2
3058839	Molecular_Weight	262.34
20644743	Structure_Complexity	318
1417	Hydrogen_Bond_Donor_Count	0
81867	Exact_Mass	257.0243562
92530	Undefined_Atom_Stereo_Count	2
10101269	Isotope_Atom_Count	0
68591	Undefined_Atom_Stereo_Count	0
864492	Rotatable_Bond_Count	4
157294	Exact_Mass	363.19467705
9793714	Structure_Complexity	39.1
41268	XLogP3-AA	3.3
129644131	TPSA	20.2
12867435	Hydrogen_Bond_Donor_Count	0
13748845	Exact_Mass	405.21403034
102228006	Exact_Mass	290.130679813
9964066	Defined_Bond_Stereo_Count	0
6426924	Non-hydrogen_Atom_Count	65
54331	Covalent_Unit_Count	2
66319	Defined_Bond_Stereo_Count	0
13795010	XLogP3-AA	1
4961823	Isotope_Atom_Count	0
13374861	Undefined_Bond_Stereo_Count	0
10833571	Non-hydrogen_Atom_Count	28
24825253	Total_Formal_Charge	0
68321895	Undefined_Bond_Stereo_Count	0
5362115	Exact_Mass	488.2077999
71215	Mono_Isotopic_Weight	473.912890
10489	Structure_Complexity	59.1
4144353	Hydrogen_Bond_Acceptor_Count	4
60561	Rotatable_Bond_Count	11
64992139	Isotope_Atom_Count	0
547676	Non-hydrogen_Atom_Count	7
66992840	Defined_Atom_Stereo_Count	0
153088	Tautomer_Count	3
21955784	Hydrogen_Bond_Acceptor_Count	2
16760328	Hydrogen_Bond_Donor_Count	4
2225	Molecular_Weight	388.4
9918460	TPSA	174
917	Non-hydrogen_Atom_Count	11
138358	Defined_Bond_Stereo_Count	0
17754007	Structure_Complexity	192
6475274	Isotope_Atom_Count	0
173799	XLogP3-AA	5.4
23540	Rotatable_Bond_Count	2
65960	Non-hydrogen_Atom_Count	18
53025	Molecular_Weight	575.6
123664524	Covalent_Unit_Count	1
53466062	TPSA	85.1
8503	Exact_Mass	119.094628657
11758093	Total_Formal_Charge	0
54006622	Molecular_Weight	112.17
518733	Hydrogen_Bond_Donor_Count	1
23087774	Rotatable_Bond_Count	0
87183060	Undefined_Atom_Stereo_Count	0
20472522	Isotope_Atom_Count	0
5906	Non-hydrogen_Atom_Count	12
47721	TPSA	0
15677	Exact_Mass	285.18008961
5713	TPSA	106
23697816	TPSA	88.3
721947	Molecular_Weight	333.71
10620213	TPSA	104
47884	XLogP3-AA	1.5
2762553	Rotatable_Bond_Count	3
16759993	Rotatable_Bond_Count	4
5289418	Covalent_Unit_Count	1
228131	Structure_Complexity	152
198382	Total_Formal_Charge	0
138911106	Covalent_Unit_Count	1
163578456	Defined_Atom_Stereo_Count	0
5715107	Total_Formal_Charge	0
156619446	Mono_Isotopic_Weight	1703.6894156
22010122	Defined_Bond_Stereo_Count	0
53326699	Undefined_Atom_Stereo_Count	0
11719003	Molecular_Weight	433.3
55241	Rotatable_Bond_Count	7
45266540	Defined_Atom_Stereo_Count	5
277406	Non-hydrogen_Atom_Count	8
153665501	Undefined_Atom_Stereo_Count	2
80867	Isotope_Atom_Count	0
71810	Total_Formal_Charge	1
4487	Rotatable_Bond_Count	3
66041	Rotatable_Bond_Count	2
57358854	Undefined_Bond_Stereo_Count	0
68381	Defined_Atom_Stereo_Count	0
12059	Structure_Complexity	98.9
14691612	Hydrogen_Bond_Acceptor_Count	2
137719	Defined_Bond_Stereo_Count	0
525065	Molecular_Weight	216.32
20681276	Non-hydrogen_Atom_Count	8
145130580	Undefined_Atom_Stereo_Count	2
11225217	Total_Formal_Charge	0
5650	Non-hydrogen_Atom_Count	32
160470	Hydrogen_Bond_Acceptor_Count	3
75151	Structure_Complexity	29
12054557	Total_Formal_Charge	0
40846	Undefined_Bond_Stereo_Count	0
141411969	Hydrogen_Bond_Acceptor_Count	1
8212	Molecular_Weight	302.9
148184759	XLogP3-AA	1.1
44339155	Mono_Isotopic_Weight	458.22392874
6477186	Mono_Isotopic_Weight	534.17261902
5311000	Undefined_Atom_Stereo_Count	0
11617559	Total_Formal_Charge	0
875202	Rotatable_Bond_Count	3
3668	XLogP3-AA	0.9
13400657	Non-hydrogen_Atom_Count	7
95941	Hydrogen_Bond_Acceptor_Count	2
11093674	Exact_Mass	98.073164938
5459845	Hydrogen_Bond_Donor_Count	4
16697	Rotatable_Bond_Count	4
5020115	Defined_Bond_Stereo_Count	0
7746	Rotatable_Bond_Count	2
498716	Undefined_Bond_Stereo_Count	0
222548	Molecular_Weight	364.9
68942	Undefined_Atom_Stereo_Count	0
44230999	TPSA	128
90727	Hydrogen_Bond_Donor_Count	0
54688693	Undefined_Bond_Stereo_Count	0
46934352	Undefined_Bond_Stereo_Count	0
118578546	Isotope_Atom_Count	0
25008	Covalent_Unit_Count	1
44563117	Covalent_Unit_Count	1
9938056	Molecular_Weight	574.8
16186010	Undefined_Atom_Stereo_Count	0
24857	Isotope_Atom_Count	0
148013616	Isotope_Atom_Count	0
21520336	Non-hydrogen_Atom_Count	21
61341	Undefined_Atom_Stereo_Count	0
134695356	Non-hydrogen_Atom_Count	52
266934	Hydrogen_Bond_Donor_Count	5
66297	Structure_Complexity	8
64033	Rotatable_Bond_Count	2
13389	Undefined_Bond_Stereo_Count	0
11837140	XLogP3-AA	1.9
23552407	Hydrogen_Bond_Acceptor_Count	2
64033	Hydrogen_Bond_Acceptor_Count	5
55290205	Exact_Mass	98.048012819
4113127	Exact_Mass	104.094963011
22024915	Molecular_Weight	391.4
12964226	Defined_Bond_Stereo_Count	0
21935075	Molecular_Weight	275.26
2712	Undefined_Bond_Stereo_Count	0
22753607	Structure_Complexity	139
5074	Defined_Atom_Stereo_Count	0
20396384	Mono_Isotopic_Weight	102.115698455
10482544	XLogP3-AA	2.2
55802	Non-hydrogen_Atom_Count	16
86062	Non-hydrogen_Atom_Count	7
445354	Defined_Bond_Stereo_Count	4
12207122	Hydrogen_Bond_Donor_Count	1
12607584	Total_Formal_Charge	0
1549	Covalent_Unit_Count	1
94904	Rotatable_Bond_Count	0
4992	Isotope_Atom_Count	0
817470	Covalent_Unit_Count	1
21228	Hydrogen_Bond_Acceptor_Count	1
20583864	Structure_Complexity	70.8
5222844	Tautomer_Count	1
87480477	Isotope_Atom_Count	0
92155	Non-hydrogen_Atom_Count	30
123603692	Hydrogen_Bond_Acceptor_Count	1
4121	TPSA	126
6603697	Covalent_Unit_Count	1
56929	Undefined_Bond_Stereo_Count	0
129628447	Hydrogen_Bond_Acceptor_Count	11
11699	Hydrogen_Bond_Donor_Count	1
11151622	Covalent_Unit_Count	1
88924436	Hydrogen_Bond_Donor_Count	0
54561872	Isotope_Atom_Count	0
13315542	Isotope_Atom_Count	0
635	Mono_Isotopic_Weight	214.02423968
85470810	XLogP3-AA	5.9
115197	Hydrogen_Bond_Acceptor_Count	2
57750418	Defined_Bond_Stereo_Count	0
5281166	Exact_Mass	210.125594432
70689445	Defined_Atom_Stereo_Count	0
90184753	Hydrogen_Bond_Acceptor_Count	3
135580753	Hydrogen_Bond_Acceptor_Count	4
9258	Defined_Atom_Stereo_Count	0
158786	Hydrogen_Bond_Donor_Count	4
16134490	TPSA	446
6452618	Rotatable_Bond_Count	8
84647610	Covalent_Unit_Count	1
19847	Molecular_Weight	283.2
751826	XLogP3	0.5
784510	Rotatable_Bond_Count	6
11998	TPSA	52
60155183	Isotope_Atom_Count	0
10899	Molecular_Weight	78.54
40898	Non-hydrogen_Atom_Count	8
134694634	Non-hydrogen_Atom_Count	44
225	Exact_Mass	290.224580195
77912	Defined_Atom_Stereo_Count	0
71449857	Non-hydrogen_Atom_Count	32
5284550	XLogP3	4.5
103439991	Non-hydrogen_Atom_Count	7
166957	Structure_Complexity	0
537037	Defined_Atom_Stereo_Count	0
199968	Isotope_Atom_Count	0
7071	Covalent_Unit_Count	1
9846332	Tautomer_Count	3
21242473	Non-hydrogen_Atom_Count	7
5080759	Structure_Complexity	164
93130	Defined_Bond_Stereo_Count	0
160024	Defined_Atom_Stereo_Count	2
9773	Hydrogen_Bond_Acceptor_Count	4
51030056	Hydrogen_Bond_Donor_Count	0
2947	Rotatable_Bond_Count	0
27952	Undefined_Atom_Stereo_Count	0
66829	Defined_Atom_Stereo_Count	0
13348970	Undefined_Atom_Stereo_Count	0
70719	Non-hydrogen_Atom_Count	8
49659	Tautomer_Count	202
139383946	Isotope_Atom_Count	0
673970	Exact_Mass	339.12190603
77072	Total_Formal_Charge	1
226831	Total_Formal_Charge	0
7195	Undefined_Atom_Stereo_Count	0
366	Hydrogen_Bond_Donor_Count	0
6262774	Total_Formal_Charge	0
28183	Molecular_Weight	316.22
13220194	Non-hydrogen_Atom_Count	15
10486	Defined_Bond_Stereo_Count	0
5352	Mono_Isotopic_Weight	356.08824374
62332	Isotope_Atom_Count	0
54037464	TPSA	72.3
134748002	Non-hydrogen_Atom_Count	45
711468	Isotope_Atom_Count	0
77881	Rotatable_Bond_Count	0
480785	Exact_Mass	424.18858861
46891563	Total_Formal_Charge	0
793	Isotope_Atom_Count	0
54676743	Rotatable_Bond_Count	2
119830	Defined_Bond_Stereo_Count	0
25271979	Structure_Complexity	405
991	Rotatable_Bond_Count	6
54598306	Rotatable_Bond_Count	3
10995	Non-hydrogen_Atom_Count	7
304590	Defined_Bond_Stereo_Count	0
80971	Exact_Mass	173.047678466
138496	Non-hydrogen_Atom_Count	8
12794196	Covalent_Unit_Count	1
135505	Defined_Bond_Stereo_Count	0
2682	XLogP3	7.3
12774540	Structure_Complexity	74.2
11198850	Covalent_Unit_Count	1
21024469	Rotatable_Bond_Count	0
25056	Hydrogen_Bond_Donor_Count	0
13424663	Defined_Bond_Stereo_Count	0
44264589	Rotatable_Bond_Count	0
4461	Molecular_Weight	430.5
9828138	Hydrogen_Bond_Donor_Count	3
647120	Structure_Complexity	561
609492	TPSA	12.9
11569	Defined_Atom_Stereo_Count	0
9629	Hydrogen_Bond_Acceptor_Count	2
5284566	Rotatable_Bond_Count	2
6708482	Total_Formal_Charge	0
33255	Molecular_Weight	454.5
9906614	Exact_Mass	354.21949481
11532248	Defined_Atom_Stereo_Count	0
70698047	Defined_Atom_Stereo_Count	5
58091261	TPSA	20.1
7531	Isotope_Atom_Count	0
48289	Covalent_Unit_Count	2
84590	Exact_Mass	98.048012819
5273472	Total_Formal_Charge	0
13810419	Structure_Complexity	161
36054	Structure_Complexity	163
3984	Structure_Complexity	458
7597	Mono_Isotopic_Weight	214.062994177
240534	Defined_Atom_Stereo_Count	0
34725	Hydrogen_Bond_Donor_Count	2
7910	XLogP3-AA	1.7
89390	Molecular_Weight	329.3
4442	Undefined_Bond_Stereo_Count	0
2442	Hydrogen_Bond_Donor_Count	1
17380	Undefined_Atom_Stereo_Count	2
61634	Defined_Atom_Stereo_Count	0
7021156	Rotatable_Bond_Count	4
15452	Molecular_Weight	124.14
419490	Exact_Mass	125.047678466
71897	Hydrogen_Bond_Donor_Count	1
25007064	Isotope_Atom_Count	0
23257217	Undefined_Atom_Stereo_Count	0
77470	Undefined_Bond_Stereo_Count	0
135431094	Defined_Bond_Stereo_Count	3
318911	Total_Formal_Charge	0
48284	Hydrogen_Bond_Acceptor_Count	1
21364247	Undefined_Bond_Stereo_Count	0
28424	Undefined_Atom_Stereo_Count	0
15993	Hydrogen_Bond_Acceptor_Count	16
11469444	Rotatable_Bond_Count	1
5243	Undefined_Atom_Stereo_Count	0
7554	Molecular_Weight	218.33
21989066	Hydrogen_Bond_Acceptor_Count	5
356	Structure_Complexity	25
21718085	Undefined_Atom_Stereo_Count	2
135413554	Total_Formal_Charge	0
20316	Hydrogen_Bond_Donor_Count	0
44563	Covalent_Unit_Count	2
60983	TPSA	34.1
17596	Isotope_Atom_Count	0
71622657	Hydrogen_Bond_Donor_Count	1
13449768	Isotope_Atom_Count	0
145707274	Undefined_Bond_Stereo_Count	0
136231689	Molecular_Weight	110.07
4669250	Covalent_Unit_Count	1
5460819	Isotope_Atom_Count	0
13118212	Undefined_Bond_Stereo_Count	0
36576	Exact_Mass	214.07588133
10257882	Mono_Isotopic_Weight	592.27194156
27400	Undefined_Atom_Stereo_Count	0
7076	Total_Formal_Charge	0
58223444	Hydrogen_Bond_Acceptor_Count	2
5326956	Molecular_Weight	537.5
134693959	Molecular_Weight	461.4
5326	Defined_Bond_Stereo_Count	0
12319	Defined_Bond_Stereo_Count	0
7057995	Covalent_Unit_Count	1
83095	Tautomer_Count	2
21895931	Mono_Isotopic_Weight	110.109550447
4532218	Rotatable_Bond_Count	0
8617	Hydrogen_Bond_Donor_Count	2
8363	Hydrogen_Bond_Acceptor_Count	3
129893609	TPSA	365
1522	Undefined_Bond_Stereo_Count	0
5964319	TPSA	76
2100	Mono_Isotopic_Weight	918.35416761
84811	Non-hydrogen_Atom_Count	14
16681432	Total_Formal_Charge	0
800	Defined_Bond_Stereo_Count	0
441276	Defined_Atom_Stereo_Count	10
31191	Hydrogen_Bond_Donor_Count	1
22833454	Defined_Atom_Stereo_Count	0
5311424	Rotatable_Bond_Count	5
11732117	Undefined_Atom_Stereo_Count	1
15458	Structure_Complexity	119
724183	Molecular_Weight	294.3
10797	TPSA	13.1
16049088	Defined_Bond_Stereo_Count	0
15951509	TPSA	68.2
138961	Covalent_Unit_Count	1
863	XLogP3-AA	1
11693896	Rotatable_Bond_Count	1
30154	Total_Formal_Charge	0
707	TPSA	20.2
65985700	Undefined_Atom_Stereo_Count	1
85546	Undefined_Atom_Stereo_Count	0
91895934	Undefined_Atom_Stereo_Count	0
551178	Covalent_Unit_Count	1
692791	Mono_Isotopic_Weight	310.0388164
12137	Structure_Complexity	213
643544	Exact_Mass	203.192862891
138621	Defined_Atom_Stereo_Count	0
486	Mono_Isotopic_Weight	184.06435410
142210	Rotatable_Bond_Count	0
77259647	Molecular_Weight	114.14
1551	Isotope_Atom_Count	0
72200849	Undefined_Atom_Stereo_Count	0
69401251	Undefined_Bond_Stereo_Count	0
18442764	Total_Formal_Charge	0
12721	TPSA	0
84647614	Defined_Atom_Stereo_Count	0
19354	Tautomer_Count	1
35459	Hydrogen_Bond_Acceptor_Count	2
57392965	Covalent_Unit_Count	1
66460	Isotope_Atom_Count	0
123164	Structure_Complexity	0
6206	Molecular_Weight	197.15
1072	Molecular_Weight	376.4
62331	XLogP3	5.9
62155	Defined_Atom_Stereo_Count	0
15546	Molecular_Weight	221.64
162816817	Hydrogen_Bond_Donor_Count	6
26361	Hydrogen_Bond_Donor_Count	0
6515535	Isotope_Atom_Count	0
23677989	Exact_Mass	751.15939355
45375806	Defined_Bond_Stereo_Count	0
163050679	Exact_Mass	284.16237386
62695	Tautomer_Count	1
84605	TPSA	38.3
71463602	Structure_Complexity	1260
5287792	Structure_Complexity	497
17074	Isotope_Atom_Count	0
29976098	Structure_Complexity	596
2695	Hydrogen_Bond_Acceptor_Count	7
443604	Non-hydrogen_Atom_Count	34
65407	TPSA	185
76448	Defined_Bond_Stereo_Count	0
10844548	Non-hydrogen_Atom_Count	8
27932	Exact_Mass	100.063662883
47318	Defined_Atom_Stereo_Count	0
67808	TPSA	23.8
57454999	Total_Formal_Charge	0
30971	Mono_Isotopic_Weight	494.1645300
12817963	Rotatable_Bond_Count	0
135444614	Undefined_Atom_Stereo_Count	0
22843	Exact_Mass	505.9524465
3766139	Rotatable_Bond_Count	8
146382	Undefined_Bond_Stereo_Count	2
441037	Exact_Mass	267.09541650
87280013	Rotatable_Bond_Count	1
146158506	Exact_Mass	354.21949481
53038	Defined_Bond_Stereo_Count	0
180081	Undefined_Atom_Stereo_Count	0
18636	Structure_Complexity	354
233979	Defined_Bond_Stereo_Count	0
160743752	Hydrogen_Bond_Donor_Count	0
3032818	Hydrogen_Bond_Acceptor_Count	2
16158	Total_Formal_Charge	0
25058186	Defined_Bond_Stereo_Count	0
11743862	XLogP3-AA	3.3
13314379	Hydrogen_Bond_Donor_Count	0
91468768	Isotope_Atom_Count	0
78157544	Covalent_Unit_Count	1
59324	Defined_Bond_Stereo_Count	0
21806052	Defined_Bond_Stereo_Count	0
81588	Rotatable_Bond_Count	2
136437	Total_Formal_Charge	0
18223	Hydrogen_Bond_Donor_Count	0
11969781	Defined_Atom_Stereo_Count	1
122612	Structure_Complexity	418
2562	Tautomer_Count	1
3584	Hydrogen_Bond_Donor_Count	4
15129466	Non-hydrogen_Atom_Count	8
93740	Non-hydrogen_Atom_Count	21
10209	XLogP3-AA	2.8
2794575	Isotope_Atom_Count	0
54051670	Undefined_Atom_Stereo_Count	0
102020084	Undefined_Atom_Stereo_Count	0
17836	Non-hydrogen_Atom_Count	24
150868	Hydrogen_Bond_Acceptor_Count	6
7580	Exact_Mass	168.093900383
61489	Hydrogen_Bond_Donor_Count	0
2733224	Hydrogen_Bond_Acceptor_Count	1
24748573	Covalent_Unit_Count	1
42609805	Non-hydrogen_Atom_Count	22
138378	Hydrogen_Bond_Acceptor_Count	2
36975	TPSA	108
517859	TPSA	13.1
1240	Rotatable_Bond_Count	6
131634907	Non-hydrogen_Atom_Count	131
65870	Isotope_Atom_Count	0
12922658	Undefined_Bond_Stereo_Count	0
65360	Exact_Mass	207.05652907
5460232	Hydrogen_Bond_Donor_Count	1
129851046	Rotatable_Bond_Count	5
62669508	Undefined_Atom_Stereo_Count	0
78963	Undefined_Bond_Stereo_Count	0
56859	XLogP3-AA	2.9
54367722	Hydrogen_Bond_Acceptor_Count	2
5352621	Molecular_Weight	277.4
84571	Non-hydrogen_Atom_Count	23
31225	XLogP3	2.8
1149	Covalent_Unit_Count	1
12586	Tautomer_Count	1
71358911	Isotope_Atom_Count	0
132306	Tautomer_Count	1
12927947	Covalent_Unit_Count	1
59876594	Undefined_Atom_Stereo_Count	1
6096206	Mono_Isotopic_Weight	830.24537723
11796	Defined_Bond_Stereo_Count	0
5311360	Tautomer_Count	1
130128864	Rotatable_Bond_Count	0
68280040	Defined_Atom_Stereo_Count	0
15080	XLogP3-AA	3.7
77211	Mono_Isotopic_Weight	746.523514
7048	Hydrogen_Bond_Donor_Count	0
16048558	TPSA	35.5
76957863	Defined_Atom_Stereo_Count	2
5142487	Rotatable_Bond_Count	2
15980171	Hydrogen_Bond_Donor_Count	3
638132	Isotope_Atom_Count	0
369219	Non-hydrogen_Atom_Count	13
101739878	Total_Formal_Charge	0
4051541	Rotatable_Bond_Count	0
135445969	Defined_Bond_Stereo_Count	0
65957	Molecular_Weight	318.30
16718576	Covalent_Unit_Count	1
659294	Total_Formal_Charge	0
8927	Defined_Atom_Stereo_Count	0
67285	Mono_Isotopic_Weight	171.104799419
40469210	Mono_Isotopic_Weight	384.07215933
375860	Covalent_Unit_Count	1
27282	Total_Formal_Charge	0
90713931	Rotatable_Bond_Count	15
3711	Hydrogen_Bond_Acceptor_Count	5
29033	Hydrogen_Bond_Donor_Count	0
18967822	XLogP3-AA	0.3
136316	Covalent_Unit_Count	1
57164040	TPSA	210
135434911	Hydrogen_Bond_Acceptor_Count	5
543047	Total_Formal_Charge	0
23714994	Total_Formal_Charge	0
53326688	Molecular_Weight	463.0
10953453	Hydrogen_Bond_Acceptor_Count	2
14808025	Molecular_Weight	101.10
9571004	Total_Formal_Charge	0
13586013	Molecular_Weight	103.12
54545615	Exact_Mass	98.073164938
12285893	Non-hydrogen_Atom_Count	12
54038691	Structure_Complexity	109
12455727	Rotatable_Bond_Count	0
131801164	Defined_Atom_Stereo_Count	1
85988	Undefined_Bond_Stereo_Count	0
140551	Isotope_Atom_Count	0
65052	Structure_Complexity	128
6971	Non-hydrogen_Atom_Count	13
2813	TPSA	141
21872759	Undefined_Bond_Stereo_Count	0
91827561	Hydrogen_Bond_Acceptor_Count	18
4567	Hydrogen_Bond_Donor_Count	3
253193	Covalent_Unit_Count	1
141772581	Hydrogen_Bond_Acceptor_Count	1
71541098	Molecular_Weight	256.17
94866	Undefined_Bond_Stereo_Count	0
442113	Exact_Mass	262.13174244
23324969	Molecular_Weight	94.15
165906267	Defined_Atom_Stereo_Count	0
1347913	Isotope_Atom_Count	0
10714	Isotope_Atom_Count	0
21873275	Isotope_Atom_Count	0
98497	XLogP3-AA	1.9
3034372	Molecular_Weight	166.20
68681268	Mono_Isotopic_Weight	432.12338320
107767	Total_Formal_Charge	0
2604	Covalent_Unit_Count	1
594832	Structure_Complexity	193
12367600	Exact_Mass	116.083729621
3651	Defined_Bond_Stereo_Count	0
21987892	Isotope_Atom_Count	0
48368	Isotope_Atom_Count	0
317542	Mono_Isotopic_Weight	112.088815002
24451	TPSA	130
11585872	Undefined_Bond_Stereo_Count	0
170993	TPSA	26.3
52195	Mono_Isotopic_Weight	308.188863393
23694671	Exact_Mass	208.05002381
57053600	Isotope_Atom_Count	0
11701986	Defined_Atom_Stereo_Count	4
99730	Hydrogen_Bond_Acceptor_Count	1
7221	Structure_Complexity	101
4627783	Exact_Mass	112.088815002
20517892	Mono_Isotopic_Weight	202.15689456
2037	Covalent_Unit_Count	1
74496	Hydrogen_Bond_Donor_Count	0
12491607	Undefined_Bond_Stereo_Count	0
6437380	TPSA	23.5
68207	Rotatable_Bond_Count	1
47499	Non-hydrogen_Atom_Count	36
99824	Isotope_Atom_Count	0
5323976	Isotope_Atom_Count	0
21067	Undefined_Bond_Stereo_Count	0
139211202	XLogP3-AA	4.2
5284529	Hydrogen_Bond_Acceptor_Count	7
11833	Molecular_Weight	160.17
12478	XLogP3-AA	0.9
11565289	Covalent_Unit_Count	1
24875236	Isotope_Atom_Count	0
102004571	Hydrogen_Bond_Donor_Count	0
135398596	Defined_Atom_Stereo_Count	3
6419978	Structure_Complexity	460
175270	Total_Formal_Charge	0
446816	Defined_Atom_Stereo_Count	0
16218740	Total_Formal_Charge	1
71307528	Undefined_Atom_Stereo_Count	1
139307343	Covalent_Unit_Count	1
636402	Exact_Mass	614.31954243
10291556	Rotatable_Bond_Count	2
22097456	Defined_Bond_Stereo_Count	0
6929	Hydrogen_Bond_Acceptor_Count	2
4796	Covalent_Unit_Count	1
968688	Isotope_Atom_Count	0
10026604	Hydrogen_Bond_Donor_Count	4
36906	XLogP3	1
87485	Exact_Mass	200.03813935
59516084	Defined_Bond_Stereo_Count	0
24186254	Total_Formal_Charge	0
18517118	Defined_Atom_Stereo_Count	0
102258	Defined_Bond_Stereo_Count	0
85728	Rotatable_Bond_Count	1
4523333	Rotatable_Bond_Count	2
923638	Structure_Complexity	400
42580057	Covalent_Unit_Count	1
707094	XLogP3	3.7
601577	Undefined_Atom_Stereo_Count	0
54598431	Covalent_Unit_Count	3
13641	Defined_Bond_Stereo_Count	0
71511839	Hydrogen_Bond_Acceptor_Count	17
71766156	Covalent_Unit_Count	1
5158	Total_Formal_Charge	0
5388880	Hydrogen_Bond_Donor_Count	0
13396	Molecular_Weight	118.14
243274	Exact_Mass	277.110278721
3068840	Defined_Atom_Stereo_Count	0
5282367	Mono_Isotopic_Weight	444.302830514
10288191	Tautomer_Count	5
1712010	Structure_Complexity	129
13838546	Undefined_Bond_Stereo_Count	0
69341050	Defined_Atom_Stereo_Count	0
11751490	Non-hydrogen_Atom_Count	33
7254	XLogP3	4.2
92729	Mono_Isotopic_Weight	416.365430770
3106	Undefined_Bond_Stereo_Count	0
71456042	Undefined_Atom_Stereo_Count	0
9956189	Exact_Mass	466.22564282
8644	Tautomer_Count	1
70265544	Molecular_Weight	107.11
21331354	Mono_Isotopic_Weight	115.063328530
625295	Undefined_Bond_Stereo_Count	0
4177	Undefined_Atom_Stereo_Count	2
6994279	TPSA	60.7
16081932	Covalent_Unit_Count	1
48920	Undefined_Atom_Stereo_Count	0
35330	TPSA	84.9
10801933	Hydrogen_Bond_Donor_Count	1
91936863	Hydrogen_Bond_Donor_Count	4
17513	Undefined_Bond_Stereo_Count	0
893947	Hydrogen_Bond_Acceptor_Count	2
74904	Exact_Mass	166.099379685
42163	Non-hydrogen_Atom_Count	21
18596	Hydrogen_Bond_Donor_Count	0
16413917	Molecular_Weight	713.1
18364965	Defined_Atom_Stereo_Count	0
468595	Mono_Isotopic_Weight	700.32970817
9844	Defined_Atom_Stereo_Count	0
69401	Covalent_Unit_Count	2
19426425	Structure_Complexity	32.9
38253	Non-hydrogen_Atom_Count	17
11829372	Non-hydrogen_Atom_Count	7
12769779	TPSA	12
14833	Rotatable_Bond_Count	0
6433110	Structure_Complexity	515
57336511	Isotope_Atom_Count	0
6953	Hydrogen_Bond_Donor_Count	0
34553	Isotope_Atom_Count	0
224241	Mono_Isotopic_Weight	100.088815002
76969110	Non-hydrogen_Atom_Count	81
28332	Non-hydrogen_Atom_Count	39
59398673	XLogP3-AA	0.1
114834	Hydrogen_Bond_Donor_Count	0
10482134	XLogP3-AA	6.7
121922	Molecular_Weight	177.22
2313	Exact_Mass	282.10044231
207363	Non-hydrogen_Atom_Count	7
7563	Undefined_Bond_Stereo_Count	0
71773962	Exact_Mass	363.1601214
475341	Hydrogen_Bond_Acceptor_Count	3
192160	Hydrogen_Bond_Acceptor_Count	3
34060	Rotatable_Bond_Count	6
88464430	Molecular_Weight	117.15
10205	Molecular_Weight	188.18
135332658	Molecular_Weight	114.10
13416	Defined_Bond_Stereo_Count	0
21875354	XLogP3-AA	4.4
90788020	Exact_Mass	114.068079557
82616	TPSA	35.5
6918474	Structure_Complexity	201
5948958	XLogP3-AA	6.4
136375	Non-hydrogen_Atom_Count	7
451448	Hydrogen_Bond_Acceptor_Count	7
6536864	Tautomer_Count	14
77941	Molecular_Weight	340.5
12460864	Defined_Bond_Stereo_Count	0
10434	Covalent_Unit_Count	1
76965484	Undefined_Atom_Stereo_Count	0
643731	Covalent_Unit_Count	1
48041	Total_Formal_Charge	0
20883	Isotope_Atom_Count	0
6199	XLogP3-AA	2.3
24096961	Total_Formal_Charge	0
68802	Tautomer_Count	1
98330	Structure_Complexity	68.4
656823	Defined_Bond_Stereo_Count	0
3340552	Undefined_Atom_Stereo_Count	0
53903478	Isotope_Atom_Count	0
91168	Hydrogen_Bond_Donor_Count	1
54942	TPSA	50.8
11693901	Defined_Bond_Stereo_Count	0
134695364	Non-hydrogen_Atom_Count	30
23624131	Isotope_Atom_Count	0
68093	Non-hydrogen_Atom_Count	17
9641	Structure_Complexity	200
18551400	Total_Formal_Charge	0
15950085	Non-hydrogen_Atom_Count	31
6096207	Structure_Complexity	2540
156580481	Exact_Mass	418.19915329
67940	Molecular_Weight	170.03
25059	Defined_Atom_Stereo_Count	0
67482131	Structure_Complexity	681
47035	Exact_Mass	321.21781779
12755803	Structure_Complexity	85.6
80319	Rotatable_Bond_Count	4
21855	Tautomer_Count	2
21558567	Non-hydrogen_Atom_Count	7
46848036	TPSA	99.2
5360460	Covalent_Unit_Count	1
3034351	Undefined_Bond_Stereo_Count	0
6450173	Mono_Isotopic_Weight	1400.7707808
18177388	Tautomer_Count	1
131855729	Hydrogen_Bond_Acceptor_Count	1
135413544	Hydrogen_Bond_Acceptor_Count	17
447451	Tautomer_Count	30
5282315	Covalent_Unit_Count	2
3260420	Non-hydrogen_Atom_Count	4
5283305	Tautomer_Count	1
11676981	Molecular_Weight	461.4
53983207	Structure_Complexity	113
21914607	Undefined_Atom_Stereo_Count	2
436	Exact_Mass	192.089877630
87692081	Hydrogen_Bond_Acceptor_Count	2
13487238	Rotatable_Bond_Count	0
123133923	Undefined_Atom_Stereo_Count	0
6713443	Undefined_Bond_Stereo_Count	0
15308711	Isotope_Atom_Count	0
41351	Tautomer_Count	3
5744	Hydrogen_Bond_Donor_Count	2
118771	Mono_Isotopic_Weight	265.18216827
12248528	Mono_Isotopic_Weight	112.016043985
53997645	Defined_Atom_Stereo_Count	0
8369	Exact_Mass	126.031694049
88322	TPSA	46.9
10614	Hydrogen_Bond_Donor_Count	0
9571109	Undefined_Bond_Stereo_Count	0
10545	Undefined_Bond_Stereo_Count	0
424354	Covalent_Unit_Count	1
14543958	Isotope_Atom_Count	0
76241	Hydrogen_Bond_Donor_Count	0
12750	Exact_Mass	83.073499291
5284648	Hydrogen_Bond_Acceptor_Count	5
2006	TPSA	121
439680	Total_Formal_Charge	0
691409	Molecular_Weight	319.34
11219835	TPSA	76.2
1473603	Covalent_Unit_Count	1
4390	Molecular_Weight	177.24
159157	Exact_Mass	208.04054465
130003020	XLogP3-AA	0
88255060	Molecular_Weight	189.21
6788	Rotatable_Bond_Count	22
53805787	XLogP3-AA	0.8
11589318	Total_Formal_Charge	0
15683	Non-hydrogen_Atom_Count	7
17845830	Rotatable_Bond_Count	1
687044	Defined_Bond_Stereo_Count	0
14798	Undefined_Bond_Stereo_Count	0
1470718	Covalent_Unit_Count	1
369401	Exact_Mass	248.094963011
11947765	Isotope_Atom_Count	0
62779	Undefined_Atom_Stereo_Count	0
25127112	Mono_Isotopic_Weight	404.13619017
985126	Covalent_Unit_Count	1
628889	Mono_Isotopic_Weight	315.0217694
565051	Isotope_Atom_Count	0
137427383	Undefined_Bond_Stereo_Count	0
5702132	Mono_Isotopic_Weight	277.07324176
5748434	TPSA	358
3002120	TPSA	247
3054	Non-hydrogen_Atom_Count	20
12219458	Undefined_Bond_Stereo_Count	0
23670359	Isotope_Atom_Count	0
73864	Hydrogen_Bond_Acceptor_Count	8
83569	Covalent_Unit_Count	1
6919026	Defined_Atom_Stereo_Count	1
31405	TPSA	20.2
16667503	Undefined_Bond_Stereo_Count	0
12512801	Rotatable_Bond_Count	0
4555	XLogP3-AA	5.3
67242031	Total_Formal_Charge	0
165105	TPSA	107
129800396	Hydrogen_Bond_Acceptor_Count	3
3434	Defined_Bond_Stereo_Count	0
9385	Isotope_Atom_Count	0
129027658	Rotatable_Bond_Count	0
98043896	Total_Formal_Charge	0
390049	Undefined_Bond_Stereo_Count	0
23703979	Molecular_Weight	462.5
53936618	Hydrogen_Bond_Donor_Count	0
71583157	XLogP3-AA	4
60838	Tautomer_Count	1
57340110	Molecular_Weight	523.5
802	Isotope_Atom_Count	0
155293246	Undefined_Atom_Stereo_Count	0
16180	Defined_Bond_Stereo_Count	0
10493	Molecular_Weight	548.7
20872204	TPSA	51.6
443404	Tautomer_Count	3
12240	Non-hydrogen_Atom_Count	8
18442682	Mono_Isotopic_Weight	113.084063974
2907	Hydrogen_Bond_Donor_Count	1
3548422	Isotope_Atom_Count	0
86179952	Hydrogen_Bond_Donor_Count	2
118209838	Defined_Bond_Stereo_Count	0
18198	Hydrogen_Bond_Acceptor_Count	2
448812	Defined_Atom_Stereo_Count	5
23680486	Rotatable_Bond_Count	7
89076189	Non-hydrogen_Atom_Count	8
5905	Hydrogen_Bond_Acceptor_Count	5
30959	XLogP3	1.2
5014	Covalent_Unit_Count	1
9812534	Hydrogen_Bond_Donor_Count	4
71454287	Non-hydrogen_Atom_Count	36
755686	Structure_Complexity	329
23663409	Undefined_Bond_Stereo_Count	0
656909	XLogP3-AA	2.2
8698	Mono_Isotopic_Weight	178.099379685
16449	Non-hydrogen_Atom_Count	13
494937	Undefined_Atom_Stereo_Count	0
135421442	Exact_Mass	516.21951207
68939	Undefined_Bond_Stereo_Count	0
123539309	Undefined_Atom_Stereo_Count	2
13940	Non-hydrogen_Atom_Count	20
2770166	Non-hydrogen_Atom_Count	8
86122	Total_Formal_Charge	0
224001	Isotope_Atom_Count	0
5242420	TPSA	56.1
17236	Rotatable_Bond_Count	4
164667083	Undefined_Bond_Stereo_Count	0
81423	TPSA	54.7
13416	TPSA	20.2
15951485	XLogP3-AA	3.4
135403646	Defined_Atom_Stereo_Count	0
97730	Mono_Isotopic_Weight	156.115029749
162342152	Hydrogen_Bond_Acceptor_Count	2
76958691	Structure_Complexity	515
61614676	Covalent_Unit_Count	1
148931547	Mono_Isotopic_Weight	1201.84136802
7992	Covalent_Unit_Count	1
260495	Total_Formal_Charge	0
549318	Exact_Mass	96.057514874
16388	Isotope_Atom_Count	0
5460307	Undefined_Atom_Stereo_Count	0
69333861	Hydrogen_Bond_Acceptor_Count	4
24866867	Isotope_Atom_Count	0
128919	TPSA	3.2
18766934	Undefined_Atom_Stereo_Count	2
42079	TPSA	32.3
644020	Non-hydrogen_Atom_Count	17
148573599	Molecular_Weight	106.16
51556	Mono_Isotopic_Weight	437.9900194
10594637	Molecular_Weight	359.5
75	Total_Formal_Charge	0
5530	Exact_Mass	133.089149355
5282280	Hydrogen_Bond_Donor_Count	2
13224	XLogP3	2.3
72	XLogP3	1.1
40087	Undefined_Atom_Stereo_Count	0
138107566	Exact_Mass	416.32904526
8248	Molecular_Weight	452.6
20690429	Molecular_Weight	469.6
57992058	XLogP3-AA	3.9
736282	Non-hydrogen_Atom_Count	25
9949648	Defined_Atom_Stereo_Count	1
444493	Non-hydrogen_Atom_Count	51
3260017	Hydrogen_Bond_Donor_Count	1
4224596	Mono_Isotopic_Weight	207.01159025
3813	Structure_Complexity	977
24864721	Rotatable_Bond_Count	9
2737168	Structure_Complexity	115
2117002	Isotope_Atom_Count	0
135472943	Total_Formal_Charge	0
79964	TPSA	1
9223	Hydrogen_Bond_Acceptor_Count	1
536549	XLogP3-AA	1.3
14371531	Total_Formal_Charge	0
154417	Non-hydrogen_Atom_Count	21
148039025	Molecular_Weight	97.16
70278898	Exact_Mass	398.21180428
10887841	Non-hydrogen_Atom_Count	7
92043367	Structure_Complexity	151
104903	Rotatable_Bond_Count	6
7192	XLogP3	2.8
8543	TPSA	23.2
21655019	Isotope_Atom_Count	0
153884978	Non-hydrogen_Atom_Count	8
154479899	Mono_Isotopic_Weight	112.052429494
14118154	TPSA	20.2
101940	Hydrogen_Bond_Donor_Count	0
57750407	Exact_Mass	495.2513364
8391	Isotope_Atom_Count	0
6539297	Exact_Mass	368.10554495
8058	Tautomer_Count	1
139920	Defined_Bond_Stereo_Count	0
12959054	Defined_Bond_Stereo_Count	0
521	Mono_Isotopic_Weight	853.15198968
11927	Undefined_Atom_Stereo_Count	0
6433095	Non-hydrogen_Atom_Count	41
942119	Hydrogen_Bond_Acceptor_Count	5
3068367	Undefined_Atom_Stereo_Count	1
87815038	Isotope_Atom_Count	0
135398597	Total_Formal_Charge	0
22320975	Undefined_Bond_Stereo_Count	0
11714580	Hydrogen_Bond_Donor_Count	4
4073365	Structure_Complexity	62.7
8433	Mono_Isotopic_Weight	224.083729621
24874	Covalent_Unit_Count	1
125462113	Total_Formal_Charge	0
61229	Undefined_Atom_Stereo_Count	0
48882	Defined_Atom_Stereo_Count	0
65789	Hydrogen_Bond_Acceptor_Count	7
24759	TPSA	400
77572	Covalent_Unit_Count	1
583717	Exact_Mass	247.07793322
95292	Isotope_Atom_Count	0
33925	Undefined_Atom_Stereo_Count	0
50312	Exact_Mass	370.97783
150994	Isotope_Atom_Count	0
87689	Hydrogen_Bond_Donor_Count	0
30479	Hydrogen_Bond_Acceptor_Count	5
7070	Undefined_Bond_Stereo_Count	0
10364	Hydrogen_Bond_Acceptor_Count	1
2515	Tautomer_Count	6
9919265	Structure_Complexity	1830
56626	Undefined_Bond_Stereo_Count	0
81844	XLogP3	7.9
70377524	Non-hydrogen_Atom_Count	18
3033836	Structure_Complexity	196
53569	Hydrogen_Bond_Donor_Count	2
102004571	TPSA	118
52934127	Mono_Isotopic_Weight	423.1462027
15561472	Covalent_Unit_Count	1
12508473	Hydrogen_Bond_Donor_Count	3
58270418	Covalent_Unit_Count	1
13684981	Mono_Isotopic_Weight	104.047344113
11485	Defined_Bond_Stereo_Count	0
135398513	Exact_Mass	225.08618923
564527	Hydrogen_Bond_Donor_Count	0
639102	Non-hydrogen_Atom_Count	18
5289535	Mono_Isotopic_Weight	785.28546166
627254	Molecular_Weight	452.4
123662875	TPSA	52
20674	Total_Formal_Charge	0
7285	Isotope_Atom_Count	0
135430795	Molecular_Weight	491.18
146461	Isotope_Atom_Count	0
44144393	Covalent_Unit_Count	1
3052762	Undefined_Atom_Stereo_Count	0
74879	TPSA	17.1
60121	TPSA	69.8
91439614	Rotatable_Bond_Count	2
57960428	Total_Formal_Charge	0
42611257	Molecular_Weight	489.9
75828	TPSA	17.1
15387	Total_Formal_Charge	0
91528	Tautomer_Count	10
120738	TPSA	29.5
97341	TPSA	12.5
31225	Isotope_Atom_Count	0
67742	Covalent_Unit_Count	1
8017	Defined_Atom_Stereo_Count	0
546	Covalent_Unit_Count	1
58834	Hydrogen_Bond_Acceptor_Count	2
74736	Defined_Bond_Stereo_Count	0
68682	Molecular_Weight	552.6
59	Tautomer_Count	1
40016	TPSA	64.6
6419928	Exact_Mass	648.29413356
5779	Hydrogen_Bond_Acceptor_Count	5
64689	Tautomer_Count	16
56840781	Hydrogen_Bond_Acceptor_Count	8
5367805	Hydrogen_Bond_Donor_Count	2
6546	Defined_Bond_Stereo_Count	0
94671	Total_Formal_Charge	0
72199429	Covalent_Unit_Count	1
82412	Undefined_Atom_Stereo_Count	0
87409	Isotope_Atom_Count	0
10301884	Exact_Mass	526.1982978
7567598	Mono_Isotopic_Weight	100.088815002
13001614	Isotope_Atom_Count	0
23678874	Undefined_Bond_Stereo_Count	0
108227	TPSA	90
5284633	Total_Formal_Charge	0
21622656	Undefined_Atom_Stereo_Count	0
97637	Isotope_Atom_Count	0
129652927	Molecular_Weight	99.09
95767	Defined_Atom_Stereo_Count	0
101513786	Defined_Bond_Stereo_Count	0
94280	Defined_Bond_Stereo_Count	0
8718	Isotope_Atom_Count	0
57341282	Hydrogen_Bond_Acceptor_Count	15
53913417	Defined_Atom_Stereo_Count	0
58969552	TPSA	110
825	Rotatable_Bond_Count	1
65576866	Rotatable_Bond_Count	1
156599131	Mono_Isotopic_Weight	515.07940702
80599	TPSA	1
644019	Molecular_Weight	314.5
66545743	Hydrogen_Bond_Donor_Count	1
281	Defined_Bond_Stereo_Count	0
129628202	Hydrogen_Bond_Acceptor_Count	25
53322429	Covalent_Unit_Count	1
24833843	Molecular_Weight	500.6
68551	Hydrogen_Bond_Donor_Count	1
2723730	Non-hydrogen_Atom_Count	9
11579618	Covalent_Unit_Count	1
68057	Covalent_Unit_Count	1
81242	Undefined_Atom_Stereo_Count	0
71359012	Total_Formal_Charge	0
15615	Total_Formal_Charge	0
55653	Tautomer_Count	1
5288193	Covalent_Unit_Count	1
24004	Defined_Bond_Stereo_Count	0
36352	Mono_Isotopic_Weight	417.23760449
11434515	Covalent_Unit_Count	1
102402986	Hydrogen_Bond_Donor_Count	0
825744	Mono_Isotopic_Weight	338.153146591
18954381	Undefined_Bond_Stereo_Count	0
7077	Structure_Complexity	235
4475481	Exact_Mass	447.1228804
2212	Exact_Mass	609.35263424
85456	Structure_Complexity	422
17616	Mono_Isotopic_Weight	168.115029749
68764493	Rotatable_Bond_Count	0
25262965	Hydrogen_Bond_Donor_Count	1
53788450	Defined_Bond_Stereo_Count	0
59557415	Hydrogen_Bond_Donor_Count	2
51886	Mono_Isotopic_Weight	209.06880783
5460797	Covalent_Unit_Count	1
62881	Exact_Mass	656.34147767
69351	Non-hydrogen_Atom_Count	13
18283	Total_Formal_Charge	0
56680102	Hydrogen_Bond_Acceptor_Count	13
72073	Exact_Mass	162.042927438
441966	Non-hydrogen_Atom_Count	29
71306834	Mono_Isotopic_Weight	744.79416
65427	Undefined_Atom_Stereo_Count	1
145751	Undefined_Atom_Stereo_Count	1
57166	Hydrogen_Bond_Acceptor_Count	15
143946	Rotatable_Bond_Count	2
31011	Defined_Atom_Stereo_Count	0
19596	Defined_Bond_Stereo_Count	0
162955682	Rotatable_Bond_Count	4
55062	Rotatable_Bond_Count	3
10141	Hydrogen_Bond_Donor_Count	2
67518639	Undefined_Bond_Stereo_Count	0
64505	Covalent_Unit_Count	1
53759539	Molecular_Weight	270.25
441174	XLogP3-AA	2.4
136346	Structure_Complexity	124
398743	Molecular_Weight	249.82
54535780	Exact_Mass	95.073499291
68663	Defined_Atom_Stereo_Count	0
15771	Tautomer_Count	1
27112	Non-hydrogen_Atom_Count	28
59462	Rotatable_Bond_Count	5
6328174	Undefined_Atom_Stereo_Count	0
185495	Total_Formal_Charge	3
12882502	Exact_Mass	112.088815002
141169622	Mono_Isotopic_Weight	101.047678466
91489367	TPSA	190
69270	Covalent_Unit_Count	1
158785912	Undefined_Atom_Stereo_Count	1
21666609	TPSA	20.3
54742	Defined_Atom_Stereo_Count	0
21354474	Hydrogen_Bond_Acceptor_Count	2
107970	Undefined_Bond_Stereo_Count	0
139078414	Isotope_Atom_Count	0
5354035	Undefined_Atom_Stereo_Count	1
20442	Rotatable_Bond_Count	11
8949	Total_Formal_Charge	0
129689816	Total_Formal_Charge	0
443314	Molecular_Weight	522.7
15284	Exact_Mass	512.24101810
153693950	Defined_Atom_Stereo_Count	9
107144	Defined_Atom_Stereo_Count	0
164333	XLogP3-AA	1
1272	Defined_Bond_Stereo_Count	0
12969	Defined_Bond_Stereo_Count	0
68028	TPSA	17.1
12755	Exact_Mass	109.052763847
12407	Tautomer_Count	1
1548986	TPSA	56.8
44629600	Rotatable_Bond_Count	12
101808860	TPSA	20.2
22141912	Hydrogen_Bond_Acceptor_Count	3
9834591	Isotope_Atom_Count	0
5365022	Molecular_Weight	490.9
44267026	Rotatable_Bond_Count	4
4400696	Rotatable_Bond_Count	3
258030	XLogP3-AA	2
149164080	Hydrogen_Bond_Acceptor_Count	1
312915	Defined_Atom_Stereo_Count	0
4132	Molecular_Weight	492.5
24848235	Undefined_Atom_Stereo_Count	0
61008	Undefined_Atom_Stereo_Count	0
44339100	Undefined_Atom_Stereo_Count	0
119391	Total_Formal_Charge	0
441140	XLogP3	2.2
53346592	Tautomer_Count	1
22749	Exact_Mass	116.120115130
551296	Covalent_Unit_Count	1
5281708	Rotatable_Bond_Count	1
9793737	Mono_Isotopic_Weight	114.9955546
22561495	TPSA	74.8
13418379	Non-hydrogen_Atom_Count	8
440995	TPSA	190
69236	Undefined_Atom_Stereo_Count	1
3246605	Structure_Complexity	398
5069	Defined_Bond_Stereo_Count	0
44629805	Covalent_Unit_Count	2
56962215	Defined_Bond_Stereo_Count	0
14454747	XLogP3-AA	1.7
129710649	Molecular_Weight	130.09
17531	Tautomer_Count	1
57372628	Rotatable_Bond_Count	6
3018005	Defined_Atom_Stereo_Count	0
2723610	Mono_Isotopic_Weight	342.11621151
3941	Structure_Complexity	357
15136232	Defined_Bond_Stereo_Count	0
10034577	Structure_Complexity	42.8
11268547	XLogP3-AA	3.4
58181522	Hydrogen_Bond_Donor_Count	2
524766	Molecular_Weight	95.14
10114130	Molecular_Weight	439.8
67488	Structure_Complexity	114
16120	Defined_Atom_Stereo_Count	0
46882191	XLogP3-AA	3.7
83003418	Hydrogen_Bond_Donor_Count	1
6914605	Defined_Bond_Stereo_Count	0
59875983	Hydrogen_Bond_Acceptor_Count	2
57660	Covalent_Unit_Count	1
14476155	Structure_Complexity	535
13618050	Covalent_Unit_Count	1
44421047	Hydrogen_Bond_Donor_Count	12
33068	Exact_Mass	360.80944
85753355	Isotope_Atom_Count	0
667468	Undefined_Bond_Stereo_Count	0
4004	Exact_Mass	330.03606767
116863532	Structure_Complexity	96.6
84930	Molecular_Weight	202.25
49869312	Defined_Bond_Stereo_Count	0
58116879	Hydrogen_Bond_Acceptor_Count	3
49866901	Isotope_Atom_Count	0
11006	Non-hydrogen_Atom_Count	16
520217	Defined_Atom_Stereo_Count	0
64709	Structure_Complexity	905
88212048	Mono_Isotopic_Weight	118.062994177
2815	Molecular_Weight	294.50
17291	Undefined_Bond_Stereo_Count	0
1201546	Undefined_Bond_Stereo_Count	0
148139	Defined_Atom_Stereo_Count	0
78504	Hydrogen_Bond_Donor_Count	0
136257950	Hydrogen_Bond_Acceptor_Count	14
60198	Defined_Atom_Stereo_Count	5
20054964	Undefined_Atom_Stereo_Count	1
20387220	Hydrogen_Bond_Acceptor_Count	1
9842127	XLogP3-AA	4.7
53699711	Hydrogen_Bond_Donor_Count	2
394347	Defined_Bond_Stereo_Count	0
2697	Isotope_Atom_Count	0
5281793	TPSA	185
43233	Exact_Mass	299.0228320
80152	Covalent_Unit_Count	1
12282	Isotope_Atom_Count	0
3668575	TPSA	13.7
6128	Rotatable_Bond_Count	0
81923	Defined_Atom_Stereo_Count	0
14512532	Hydrogen_Bond_Donor_Count	1
82234570	Structure_Complexity	74.4
11043	TPSA	95.9
22166430	Mono_Isotopic_Weight	101.084063974
439524	Undefined_Bond_Stereo_Count	0
3566445	TPSA	79.6
12514389	Defined_Bond_Stereo_Count	0
712	XLogP3-AA	1.2
824336	Rotatable_Bond_Count	5
16668	Covalent_Unit_Count	1
82175	TPSA	66
639420	Undefined_Bond_Stereo_Count	0
19784	Total_Formal_Charge	0
656837	Defined_Bond_Stereo_Count	0
5794	Defined_Atom_Stereo_Count	0
18316	Molecular_Weight	254.41
72401	Defined_Bond_Stereo_Count	0
8674	Defined_Atom_Stereo_Count	0
10337564	Tautomer_Count	1
656673	Covalent_Unit_Count	1
23255624	Molecular_Weight	204.35
6604333	Molecular_Weight	665.7
16133892	Exact_Mass	1700.1729741
5447	Defined_Bond_Stereo_Count	0
5541	XLogP3	0.2
53477580	Defined_Bond_Stereo_Count	1
89339	Isotope_Atom_Count	0
44560772	Undefined_Atom_Stereo_Count	0
28693	Exact_Mass	403.22597718
5508	Covalent_Unit_Count	1
61527	Hydrogen_Bond_Donor_Count	0
5282386	Non-hydrogen_Atom_Count	19
11094556	Rotatable_Bond_Count	2
443156	Hydrogen_Bond_Acceptor_Count	0
87793884	Undefined_Bond_Stereo_Count	0
214	Tautomer_Count	3
23668197	Rotatable_Bond_Count	0
16138	Tautomer_Count	1
33613	Exact_Mass	365.10454189
11241	Tautomer_Count	1
77290	TPSA	52.6
69144	Hydrogen_Bond_Donor_Count	0
18699327	Isotope_Atom_Count	0
73160420	Molecular_Weight	1349.5
439178	Covalent_Unit_Count	1
11546	Defined_Atom_Stereo_Count	0
76830	Molecular_Weight	257.09
156323004	Covalent_Unit_Count	1
149434	Covalent_Unit_Count	1
9952446	Exact_Mass	392.15699200
3964633	Rotatable_Bond_Count	4
133640201	Tautomer_Count	1
119058	Non-hydrogen_Atom_Count	23
71464628	Structure_Complexity	641
3922	TPSA	50.2
9538	Mono_Isotopic_Weight	174.141993387
11768512	Rotatable_Bond_Count	1
16722120	TPSA	57.2
86183	Undefined_Atom_Stereo_Count	1
158691271	Hydrogen_Bond_Acceptor_Count	3
208920	Defined_Bond_Stereo_Count	0
192711	XLogP3-AA	4.2
7915	XLogP3-AA	0.9
44310838	Structure_Complexity	593
135463451	Rotatable_Bond_Count	2
185992	Covalent_Unit_Count	1
65777	XLogP3-AA	3.5
57392975	Hydrogen_Bond_Acceptor_Count	6
154059	Mono_Isotopic_Weight	362.199428076
5369	Isotope_Atom_Count	0
2800647	Rotatable_Bond_Count	5
89181	Exact_Mass	142.135765193
119570	Non-hydrogen_Atom_Count	14
69663	Non-hydrogen_Atom_Count	6
31651	Defined_Bond_Stereo_Count	0
20724774	Exact_Mass	101.047678466
7638	Rotatable_Bond_Count	3
91395	Structure_Complexity	1170
133687113	TPSA	62.3
6780	TPSA	34.1
60976	Undefined_Bond_Stereo_Count	0
6505	Defined_Bond_Stereo_Count	0
1123	Defined_Atom_Stereo_Count	0
19083156	Total_Formal_Charge	0
14264	Rotatable_Bond_Count	0
11750474	Exact_Mass	419.04081729
11917	Hydrogen_Bond_Acceptor_Count	1
265	Mono_Isotopic_Weight	837.15707506
71206	Defined_Atom_Stereo_Count	7
4921934	Non-hydrogen_Atom_Count	13
526624	Exact_Mass	226.01222190
12711601	Defined_Atom_Stereo_Count	0
12842	Rotatable_Bond_Count	2
3922	Structure_Complexity	591
149836	Total_Formal_Charge	0
25164108	Total_Formal_Charge	0
99451	Total_Formal_Charge	0
11715	Defined_Atom_Stereo_Count	0
28459	Mono_Isotopic_Weight	170.203450829
419396	Exact_Mass	259.10692467
54585856	Undefined_Atom_Stereo_Count	0
148680795	Undefined_Bond_Stereo_Count	0
99289	Isotope_Atom_Count	0
14256301	Rotatable_Bond_Count	1
561861	Hydrogen_Bond_Donor_Count	1
44571147	Isotope_Atom_Count	0
17963347	TPSA	87.3
71165	Tautomer_Count	2
55362	Defined_Bond_Stereo_Count	0
6450800	Hydrogen_Bond_Donor_Count	1
5719	Covalent_Unit_Count	1
80788	Defined_Atom_Stereo_Count	0
11423572	Hydrogen_Bond_Acceptor_Count	2
134688930	Hydrogen_Bond_Donor_Count	1
53372724	Tautomer_Count	2
3068367	Structure_Complexity	756
7823	Exact_Mass	134.094294304
21770	Mono_Isotopic_Weight	312.162648646
12504793	Exact_Mass	100.088815002
44592366	Structure_Complexity	404
85237	Exact_Mass	98.084398327
100915014	Isotope_Atom_Count	0
11584	Rotatable_Bond_Count	3
95456	Covalent_Unit_Count	1
7460	Rotatable_Bond_Count	1
64032	Covalent_Unit_Count	3
24116	Total_Formal_Charge	0
7730	Total_Formal_Charge	0
28346	Total_Formal_Charge	0
10047045	Mono_Isotopic_Weight	408.20490738
53749742	Defined_Atom_Stereo_Count	0
131731052	Defined_Atom_Stereo_Count	0
129316724	Mono_Isotopic_Weight	327.202608250
191841	Defined_Atom_Stereo_Count	8
129872716	Covalent_Unit_Count	1
91305784	Exact_Mass	97.089149355
73398	Hydrogen_Bond_Donor_Count	2
13087254	Undefined_Atom_Stereo_Count	1
10885	Mono_Isotopic_Weight	144.115029749
74413	Total_Formal_Charge	0
143162854	Molecular_Weight	110.16
16741878	Rotatable_Bond_Count	15
7182	Exact_Mass	209.06880783
66829	Covalent_Unit_Count	1
5257127	Undefined_Bond_Stereo_Count	0
7753	Hydrogen_Bond_Acceptor_Count	1
5280805	Hydrogen_Bond_Donor_Count	10
874073	Defined_Bond_Stereo_Count	0
93519	Defined_Atom_Stereo_Count	0
6956357	Non-hydrogen_Atom_Count	26
22833502	Hydrogen_Bond_Acceptor_Count	2
87321867	Undefined_Atom_Stereo_Count	0
120070	Hydrogen_Bond_Donor_Count	0
49869040	XLogP3-AA	3.3
11256587	Hydrogen_Bond_Acceptor_Count	4
26444	Covalent_Unit_Count	1
9864	Isotope_Atom_Count	0
21576	Hydrogen_Bond_Acceptor_Count	3
3033832	Covalent_Unit_Count	2
62546	Structure_Complexity	361
71584166	TPSA	107
51371486	Mono_Isotopic_Weight	309.06575108
92781	Hydrogen_Bond_Acceptor_Count	6
92716	Covalent_Unit_Count	1
93131	Structure_Complexity	146
24900685	Molecular_Weight	464.6
96796	Molecular_Weight	160.17
98723	Defined_Bond_Stereo_Count	0
1211	Defined_Bond_Stereo_Count	0
23283041	Hydrogen_Bond_Donor_Count	0
25945	Hydrogen_Bond_Donor_Count	2
45039617	Covalent_Unit_Count	1
157684	Tautomer_Count	1
53432675	Isotope_Atom_Count	0
91601	Defined_Atom_Stereo_Count	0
8888	Undefined_Atom_Stereo_Count	1
57548589	Isotope_Atom_Count	0
37	Non-hydrogen_Atom_Count	12
5327131	Structure_Complexity	405
122361610	Mono_Isotopic_Weight	430.23553880
970	Isotope_Atom_Count	0
12238859	TPSA	38.7
1359	XLogP3-AA	2.6
12832575	Undefined_Atom_Stereo_Count	2
107593	Mono_Isotopic_Weight	310.15036988
84647615	Hydrogen_Bond_Acceptor_Count	3
17963226	Mono_Isotopic_Weight	505.1802054
25094630	Structure_Complexity	522
36978	Isotope_Atom_Count	0
22720	Non-hydrogen_Atom_Count	7
68284	Hydrogen_Bond_Donor_Count	0
129629321	Total_Formal_Charge	0
162489847	Hydrogen_Bond_Acceptor_Count	3
3763607	Covalent_Unit_Count	1
3456	Defined_Atom_Stereo_Count	0
445063	Molecular_Weight	309.27
14923	Hydrogen_Bond_Donor_Count	2
3327	Mono_Isotopic_Weight	222.198365449
16158103	Structure_Complexity	3420
149164152	Isotope_Atom_Count	0
6427079	Isotope_Atom_Count	0
412163	Undefined_Bond_Stereo_Count	0
5622	Structure_Complexity	1260
11919	TPSA	0
57656640	Non-hydrogen_Atom_Count	27
61634	Covalent_Unit_Count	1
6731	Hydrogen_Bond_Donor_Count	0
132586824	Rotatable_Bond_Count	3
9051	Hydrogen_Bond_Donor_Count	0
44472635	Structure_Complexity	782
5282045	Isotope_Atom_Count	0
48845	Covalent_Unit_Count	1
55255285	Mono_Isotopic_Weight	111.068413911
6437819	Non-hydrogen_Atom_Count	12
7390	Structure_Complexity	111
153274329	Hydrogen_Bond_Donor_Count	4
6604333	Isotope_Atom_Count	0
58792515	Undefined_Atom_Stereo_Count	1
95524	Undefined_Atom_Stereo_Count	1
11062345	Non-hydrogen_Atom_Count	8
62281	Structure_Complexity	418
5280906	Covalent_Unit_Count	1
4273	Hydrogen_Bond_Acceptor_Count	7
19892314	Exact_Mass	363.19804835
715513	Hydrogen_Bond_Acceptor_Count	3
9447938	Undefined_Bond_Stereo_Count	0
19042038	XLogP3-AA	3.8
15139	XLogP3-AA	3.6
68648	Undefined_Bond_Stereo_Count	0
5360970	Defined_Atom_Stereo_Count	6
20056828	TPSA	345
11356	Covalent_Unit_Count	1
53670363	Isotope_Atom_Count	0
70124	Non-hydrogen_Atom_Count	10
98170437	Molecular_Weight	342.30
36272	Undefined_Bond_Stereo_Count	0
146993530	Molecular_Weight	108.18
87457638	Exact_Mass	354.01426819
21675991	Hydrogen_Bond_Donor_Count	0
54493962	Total_Formal_Charge	0
24085	Isotope_Atom_Count	0
23687810	Structure_Complexity	118
74040195	TPSA	20.1
659064	Undefined_Atom_Stereo_Count	1
9884642	XLogP3	4.1
91635	Molecular_Weight	360.9
23866	Defined_Bond_Stereo_Count	0
23690206	Defined_Atom_Stereo_Count	13
134688091	Hydrogen_Bond_Donor_Count	2
11366954	Undefined_Bond_Stereo_Count	0
26975	Exact_Mass	164.120115130
11669698	TPSA	168
180621	Isotope_Atom_Count	0
7454	XLogP3	3.2
82763	Total_Formal_Charge	0
521718	Total_Formal_Charge	0
71355988	Hydrogen_Bond_Acceptor_Count	1
16076883	Undefined_Bond_Stereo_Count	0
8507	Undefined_Atom_Stereo_Count	0
10334	Isotope_Atom_Count	0
25244355	Rotatable_Bond_Count	2
52654	Hydrogen_Bond_Donor_Count	0
23725080	Defined_Bond_Stereo_Count	0
15012	Total_Formal_Charge	0
23960	Non-hydrogen_Atom_Count	1
441276	Undefined_Bond_Stereo_Count	0
45614	Rotatable_Bond_Count	7
22753607	Covalent_Unit_Count	1
29920852	XLogP3-AA	3.7
3613359	Total_Formal_Charge	1
24417	Exact_Mass	135.03539970
779642	Undefined_Atom_Stereo_Count	0
10414749	Mono_Isotopic_Weight	534.17261902
94972	Covalent_Unit_Count	1
656673	TPSA	359
270362	Undefined_Bond_Stereo_Count	0
13695806	Defined_Bond_Stereo_Count	0
5463858	Rotatable_Bond_Count	0
2051	Exact_Mass	315.0774544
10689555	Isotope_Atom_Count	0
9581	TPSA	32.3
24321	Hydrogen_Bond_Acceptor_Count	1
1702	Undefined_Bond_Stereo_Count	0
6918639	Hydrogen_Bond_Donor_Count	8
13474	Hydrogen_Bond_Donor_Count	1
144525	Exact_Mass	110.073164938
71584544	Exact_Mass	412.20115941
21312986	Covalent_Unit_Count	1
9543090	Isotope_Atom_Count	0
12560918	Structure_Complexity	68.5
42839	Total_Formal_Charge	0
53326689	Molecular_Weight	485.6
10405	Defined_Atom_Stereo_Count	0
91102603	Total_Formal_Charge	0
103079114	Molecular_Weight	113.12
57156265	Hydrogen_Bond_Acceptor_Count	1
90297	XLogP3-AA	2.7
3083714	Hydrogen_Bond_Acceptor_Count	19
53340426	Covalent_Unit_Count	1
12051	Total_Formal_Charge	0
4373502	TPSA	125
57784	Undefined_Bond_Stereo_Count	0
129885959	Covalent_Unit_Count	1
694951	Hydrogen_Bond_Acceptor_Count	3
528405	Isotope_Atom_Count	0
78255	Isotope_Atom_Count	0
10875	Defined_Bond_Stereo_Count	0
139906417	Structure_Complexity	65.1
18744	Isotope_Atom_Count	0
136790	TPSA	0
131668624	Undefined_Bond_Stereo_Count	2
15681557	Structure_Complexity	687
98723	Defined_Atom_Stereo_Count	0
16218742	Undefined_Bond_Stereo_Count	0
9549213	Undefined_Atom_Stereo_Count	0
79324217	Exact_Mass	99.104799419
123208701	Defined_Atom_Stereo_Count	0
7817	Hydrogen_Bond_Donor_Count	2
69975	Defined_Atom_Stereo_Count	0
4649	Covalent_Unit_Count	1
19310	Covalent_Unit_Count	1
625277	Defined_Atom_Stereo_Count	0
6680	Undefined_Bond_Stereo_Count	0
137249786	Covalent_Unit_Count	1
12394645	Isotope_Atom_Count	0
3086637	Exact_Mass	482.12129689
17561	Covalent_Unit_Count	1
54394834	Hydrogen_Bond_Acceptor_Count	3
114789	Hydrogen_Bond_Acceptor_Count	0
32756	Tautomer_Count	2
36250	Tautomer_Count	1
5122	Undefined_Atom_Stereo_Count	1
11556911	Mono_Isotopic_Weight	440.0308216
3483736	Rotatable_Bond_Count	1
62232603	Total_Formal_Charge	0
11957526	Molecular_Weight	260.13
68933	Covalent_Unit_Count	1
153373905	TPSA	9.2
53260965	Mono_Isotopic_Weight	384.02483287
220164	Mono_Isotopic_Weight	84.057514874
398514	Covalent_Unit_Count	1
51886	Non-hydrogen_Atom_Count	15
9837243	Mono_Isotopic_Weight	212.152477885
543014	Defined_Atom_Stereo_Count	0
13138	Total_Formal_Charge	0
46705350	Rotatable_Bond_Count	2
95946	Isotope_Atom_Count	0
45857	Molecular_Weight	290.2
23434540	Structure_Complexity	76.8
11320929	Mono_Isotopic_Weight	116.047344113
10351656	Hydrogen_Bond_Acceptor_Count	2
398655	Exact_Mass	431.0520275
44348	Rotatable_Bond_Count	1
5287541	Tautomer_Count	1
92253	Structure_Complexity	321
140623	Undefined_Atom_Stereo_Count	1
439920	Rotatable_Bond_Count	2
1	Tautomer_Count	1
21503772	Total_Formal_Charge	0
3424274	Hydrogen_Bond_Donor_Count	0
637584	Defined_Bond_Stereo_Count	0
339455	Structure_Complexity	542
624590	Molecular_Weight	281.38
83437	Covalent_Unit_Count	1
19736925	Total_Formal_Charge	0
53479	Hydrogen_Bond_Donor_Count	1
12545984	XLogP3-AA	0
15272297	Mono_Isotopic_Weight	112.052429494
19738210	Defined_Atom_Stereo_Count	0
3548	Hydrogen_Bond_Donor_Count	1
2123	Mono_Isotopic_Weight	210.15929460
1524	Hydrogen_Bond_Acceptor_Count	6
135398727	Tautomer_Count	9
584645	Exact_Mass	302.06128010
151404	Isotope_Atom_Count	0
270362	Hydrogen_Bond_Acceptor_Count	2
984396	Structure_Complexity	598
135532964	Undefined_Bond_Stereo_Count	0
3373	TPSA	64.4
6917972	Structure_Complexity	71
26289	Hydrogen_Bond_Donor_Count	0
137278	Rotatable_Bond_Count	0
124224931	XLogP3-AA	2.1
3081	Defined_Bond_Stereo_Count	0
96373	Undefined_Bond_Stereo_Count	0
16622	XLogP3-AA	3.3
2987927	Undefined_Atom_Stereo_Count	1
16136	Hydrogen_Bond_Donor_Count	0
19385693	Total_Formal_Charge	0
5227	Defined_Bond_Stereo_Count	0
260716	Covalent_Unit_Count	1
67329	Isotope_Atom_Count	0
18712662	Hydrogen_Bond_Donor_Count	1
16738693	Non-hydrogen_Atom_Count	26
31075	Mono_Isotopic_Weight	294.173213330
121596244	Defined_Atom_Stereo_Count	6
11789135	Structure_Complexity	82.8
10507011	Hydrogen_Bond_Donor_Count	2
5648	Tautomer_Count	1
57249823	Structure_Complexity	148
9549326	Hydrogen_Bond_Acceptor_Count	22
53346492	Undefined_Atom_Stereo_Count	0
49806720	TPSA	72.4
31404	TPSA	20.2
4833	Exact_Mass	614.28930571
22505043	Mono_Isotopic_Weight	99.068413911
11611114	Total_Formal_Charge	0
7705	Hydrogen_Bond_Acceptor_Count	0
7650	Rotatable_Bond_Count	5
54675783	Structure_Complexity	971
136231689	Hydrogen_Bond_Acceptor_Count	4
77050446	Undefined_Atom_Stereo_Count	0
67108132	Hydrogen_Bond_Acceptor_Count	2
84605	Isotope_Atom_Count	0
5222465	Exact_Mass	110.03437374
20097886	Hydrogen_Bond_Donor_Count	0
10040	Isotope_Atom_Count	0
126961564	Covalent_Unit_Count	1
54675854	Defined_Atom_Stereo_Count	0
30107	XLogP3-AA	4.6
70099	Exact_Mass	106.078250319
8078	Exact_Mass	84.093900383
19674	XLogP3-AA	3.9
40585	TPSA	59.3
3015	Total_Formal_Charge	0
12904	Rotatable_Bond_Count	6
57370509	XLogP3-AA	18.3
165141	Defined_Bond_Stereo_Count	0
99963	Hydrogen_Bond_Donor_Count	2
44450793	Isotope_Atom_Count	0
15699917	Covalent_Unit_Count	1
126894	Rotatable_Bond_Count	6
13577903	Undefined_Atom_Stereo_Count	0
3575	TPSA	26.3
13317841	Molecular_Weight	112.13
10176082	Rotatable_Bond_Count	0
127657	Defined_Atom_Stereo_Count	0
21093905	Exact_Mass	378.1458683
36671	Rotatable_Bond_Count	2
10556	Tautomer_Count	1
48409	Covalent_Unit_Count	1
81658	Undefined_Bond_Stereo_Count	0
48103	Tautomer_Count	1
12387212	Defined_Bond_Stereo_Count	0
6966	Total_Formal_Charge	0
25215	Undefined_Bond_Stereo_Count	0
752	Hydrogen_Bond_Acceptor_Count	4
129627679	Hydrogen_Bond_Donor_Count	10
66204	Hydrogen_Bond_Donor_Count	0
5483	Isotope_Atom_Count	0
5083	Defined_Bond_Stereo_Count	0
754	Undefined_Atom_Stereo_Count	1
24751	Undefined_Atom_Stereo_Count	1
5366925	Tautomer_Count	2
71584053	Structure_Complexity	576
13144653	Defined_Bond_Stereo_Count	0
129864959	Exact_Mass	292.10341969
18424759	Non-hydrogen_Atom_Count	4
60196435	Isotope_Atom_Count	0
64666710	Undefined_Bond_Stereo_Count	0
75796	Exact_Mass	386.17293854
80375	XLogP3	4.3
24372	Undefined_Bond_Stereo_Count	0
5421897	Non-hydrogen_Atom_Count	23
18822	Total_Formal_Charge	0
23666879	Undefined_Bond_Stereo_Count	0
817150	Undefined_Atom_Stereo_Count	0
6537201	Isotope_Atom_Count	0
123870986	Non-hydrogen_Atom_Count	7
537142	TPSA	12.5
6857474	Undefined_Bond_Stereo_Count	0
11356036	Hydrogen_Bond_Donor_Count	0
227801	Covalent_Unit_Count	1
12632903	Molecular_Weight	83.13
4582877	XLogP3-AA	0.8
11018	Rotatable_Bond_Count	6
67431	Hydrogen_Bond_Donor_Count	2
54216748	Rotatable_Bond_Count	2
56605703	Covalent_Unit_Count	1
62253	TPSA	27.7
292249	Molecular_Weight	110.11
54585	Non-hydrogen_Atom_Count	26
76451	Isotope_Atom_Count	0
20146588	Total_Formal_Charge	0
117915	Structure_Complexity	105
16221343	TPSA	128
5327073	Structure_Complexity	575
3418770	Undefined_Bond_Stereo_Count	0
17754007	Hydrogen_Bond_Donor_Count	4
16211839	Tautomer_Count	1
8034	Tautomer_Count	3
86398	Molecular_Weight	248.18
69507	Covalent_Unit_Count	1
760051	Defined_Bond_Stereo_Count	0
165881712	Rotatable_Bond_Count	1
539077	XLogP3-AA	3.1
146474222	Covalent_Unit_Count	1
5355130	Hydrogen_Bond_Acceptor_Count	3
228490	TPSA	58.9
16102868	Mono_Isotopic_Weight	493.16714214
54007	Defined_Bond_Stereo_Count	0
36660	Molecular_Weight	234.25
9956324	Covalent_Unit_Count	1
23617864	Mono_Isotopic_Weight	210.161979940
442428	Isotope_Atom_Count	0
132989384	Hydrogen_Bond_Donor_Count	2
5281080	Defined_Atom_Stereo_Count	2
14337609	Hydrogen_Bond_Donor_Count	0
131954673	Covalent_Unit_Count	1
6919170	XLogP3	4.7
3744660	Undefined_Bond_Stereo_Count	0
23863720	Isotope_Atom_Count	0
18711468	Non-hydrogen_Atom_Count	7
66909	Hydrogen_Bond_Acceptor_Count	4
3661	Covalent_Unit_Count	1
137347968	Undefined_Bond_Stereo_Count	0
156618045	Undefined_Bond_Stereo_Count	0
5227	Defined_Atom_Stereo_Count	0
79422	Non-hydrogen_Atom_Count	19
42602351	Undefined_Bond_Stereo_Count	0
101008927	Exact_Mass	275.188529040
14241402	Undefined_Bond_Stereo_Count	0
90957031	Undefined_Atom_Stereo_Count	2
5702049	TPSA	188
8360	Defined_Bond_Stereo_Count	0
53511	Defined_Atom_Stereo_Count	1
68071	Defined_Bond_Stereo_Count	0
62398693	Non-hydrogen_Atom_Count	7
442070	Non-hydrogen_Atom_Count	26
4837	Undefined_Bond_Stereo_Count	0
9898439	Isotope_Atom_Count	0
624041	Undefined_Bond_Stereo_Count	0
18542107	Isotope_Atom_Count	0
12453880	Mono_Isotopic_Weight	112.088815002
15942892	Defined_Bond_Stereo_Count	0
3571582	Undefined_Bond_Stereo_Count	0
556836	Non-hydrogen_Atom_Count	7
1301	Undefined_Bond_Stereo_Count	0
2742181	Mono_Isotopic_Weight	236.0240218
6505	Rotatable_Bond_Count	19
18955278	TPSA	21.6
135413525	Rotatable_Bond_Count	2
67698	Molecular_Weight	180.10
12534276	Defined_Bond_Stereo_Count	0
68266	Exact_Mass	146.073164938
53835276	Covalent_Unit_Count	1
22379495	Undefined_Atom_Stereo_Count	0
45488113	Defined_Bond_Stereo_Count	0
191468	Undefined_Bond_Stereo_Count	0
1970	TPSA	160
89859387	Defined_Atom_Stereo_Count	0
59401	Molecular_Weight	233.31
5282251	Hydrogen_Bond_Donor_Count	2
168623	Exact_Mass	365.2121570
131966764	Mono_Isotopic_Weight	180.06338810
31075	Undefined_Bond_Stereo_Count	0
10476254	Exact_Mass	402.0553392
126968498	Non-hydrogen_Atom_Count	58
135418283	Non-hydrogen_Atom_Count	14
33672	Defined_Atom_Stereo_Count	3
7496	TPSA	142
118210808	Undefined_Bond_Stereo_Count	0
139001	Tautomer_Count	2
9815299	Undefined_Atom_Stereo_Count	0
13260750	Tautomer_Count	1
5494449	Mono_Isotopic_Weight	464.21067872
57286	Undefined_Bond_Stereo_Count	0
267493	Hydrogen_Bond_Donor_Count	1
6999977	Defined_Atom_Stereo_Count	1
11672461	Structure_Complexity	1130
446504	Covalent_Unit_Count	1
71745	Hydrogen_Bond_Donor_Count	2
53485229	Undefined_Bond_Stereo_Count	0
54069261	Molecular_Weight	116.07
656652	Defined_Bond_Stereo_Count	0
5282340	Tautomer_Count	1
13573815	Molecular_Weight	109.13
19499	Total_Formal_Charge	0
13133780	Undefined_Atom_Stereo_Count	1
71391652	TPSA	35.5
58752	Isotope_Atom_Count	0
10289038	Isotope_Atom_Count	0
14535399	Undefined_Atom_Stereo_Count	1
137117239	Covalent_Unit_Count	1
123485747	Defined_Bond_Stereo_Count	0
56841124	Mono_Isotopic_Weight	915.45668841
8809	Total_Formal_Charge	0
136231689	Non-hydrogen_Atom_Count	8
2756390	Structure_Complexity	269
299664	Non-hydrogen_Atom_Count	28
5324054	Rotatable_Bond_Count	1
13218140	Defined_Atom_Stereo_Count	0
5287554	Total_Formal_Charge	0
14794988	Defined_Atom_Stereo_Count	0
70545463	Mono_Isotopic_Weight	95.073499291
38464	Covalent_Unit_Count	1
73278	Non-hydrogen_Atom_Count	8
92897	Tautomer_Count	1
86811257	TPSA	37.3
135529433	TPSA	76.7
115817	Non-hydrogen_Atom_Count	25
160458	Defined_Bond_Stereo_Count	0
124012131	Total_Formal_Charge	0
12195	Rotatable_Bond_Count	3
19738468	Undefined_Atom_Stereo_Count	1
23029	XLogP3	3.7
12632928	Mono_Isotopic_Weight	97.089149355
13531384	Isotope_Atom_Count	0
58197	Total_Formal_Charge	0
12936856	Non-hydrogen_Atom_Count	7
25078013	Defined_Atom_Stereo_Count	0
126969097	Structure_Complexity	1390
156907991	Undefined_Bond_Stereo_Count	0
5260	Hydrogen_Bond_Acceptor_Count	6
90727	Defined_Atom_Stereo_Count	0
3048339	Hydrogen_Bond_Donor_Count	1
129815740	Defined_Bond_Stereo_Count	0
90478690	Isotope_Atom_Count	0
16699	Structure_Complexity	150
4423	XLogP3	1.9
843960	Hydrogen_Bond_Acceptor_Count	3
63686	Structure_Complexity	664
16722116	Covalent_Unit_Count	2
222757	Undefined_Bond_Stereo_Count	0
149026	Undefined_Bond_Stereo_Count	0
21357280	XLogP3-AA	1.9
89785	Molecular_Weight	234.66
68551	Non-hydrogen_Atom_Count	21
91408842	Total_Formal_Charge	0
76960246	Molecular_Weight	449.16
163321054	Rotatable_Bond_Count	24
11060	Rotatable_Bond_Count	9
520326	Undefined_Atom_Stereo_Count	1
21930930	TPSA	41.8
25144864	Molecular_Weight	1089.3
13528037	Mono_Isotopic_Weight	499.9470097
5284540	Defined_Atom_Stereo_Count	8
17856473	Structure_Complexity	126
69592	Exact_Mass	107.0137915
23694214	Rotatable_Bond_Count	7
59703143	Defined_Bond_Stereo_Count	0
65737	Structure_Complexity	449
46224572	Undefined_Atom_Stereo_Count	1
60165516	Mono_Isotopic_Weight	292.16093457
5315659	Hydrogen_Bond_Acceptor_Count	2
191468	Hydrogen_Bond_Acceptor_Count	2
124009720	Hydrogen_Bond_Acceptor_Count	2
65067	Hydrogen_Bond_Acceptor_Count	3
67494396	Undefined_Atom_Stereo_Count	0
61060	Molecular_Weight	154.25
65067	Non-hydrogen_Atom_Count	15
144247394	Covalent_Unit_Count	1
2296	Undefined_Atom_Stereo_Count	2
274070	Rotatable_Bond_Count	2
23603	Exact_Mass	237.115364102
10130270	TPSA	20.2
8408	Covalent_Unit_Count	1
7526	Undefined_Atom_Stereo_Count	0
11848	Defined_Bond_Stereo_Count	0
5311272	Molecular_Weight	432.5
50295	Hydrogen_Bond_Acceptor_Count	8
1005	Molecular_Weight	168.04
101304	Defined_Atom_Stereo_Count	0
256347	Mono_Isotopic_Weight	102.068079557
2238	Defined_Atom_Stereo_Count	0
9887053	Isotope_Atom_Count	0
2733708	Defined_Bond_Stereo_Count	0
8373	Total_Formal_Charge	0
701542	TPSA	37.4
2547	Hydrogen_Bond_Donor_Count	14
54706138	Tautomer_Count	246
87219154	Non-hydrogen_Atom_Count	7
13057924	Rotatable_Bond_Count	0
12081	Hydrogen_Bond_Donor_Count	0
88859271	Total_Formal_Charge	0
249502	Undefined_Bond_Stereo_Count	0
21255899	Isotope_Atom_Count	0
11779772	Defined_Atom_Stereo_Count	0
6438895	Covalent_Unit_Count	1
133676174	TPSA	20.2
49426	Covalent_Unit_Count	2
125892	Non-hydrogen_Atom_Count	53
12313416	Hydrogen_Bond_Donor_Count	0
9147	Non-hydrogen_Atom_Count	15
70109	Undefined_Bond_Stereo_Count	0
89105	Defined_Atom_Stereo_Count	0
71449988	Total_Formal_Charge	0
9839190	Exact_Mass	297.147726857
135403591	Undefined_Atom_Stereo_Count	0
5112454	Rotatable_Bond_Count	2
75081	Hydrogen_Bond_Acceptor_Count	0
5944	TPSA	52.6
88283211	Hydrogen_Bond_Donor_Count	0
7174	Rotatable_Bond_Count	4
43261	Isotope_Atom_Count	0
70685495	Structure_Complexity	1220
14823	Tautomer_Count	1
219077	Undefined_Atom_Stereo_Count	0
18779	Defined_Bond_Stereo_Count	0
3016738	Undefined_Bond_Stereo_Count	0
522266	XLogP3-AA	3.1
16639	Covalent_Unit_Count	1
40100	Hydrogen_Bond_Donor_Count	1
5702251	Mono_Isotopic_Weight	234.0326684
219091	Mono_Isotopic_Weight	420.1404692
6553885	Exact_Mass	154.135765193
57659	Mono_Isotopic_Weight	311.199762429
115234	Undefined_Bond_Stereo_Count	0
12187	Hydrogen_Bond_Acceptor_Count	1
753050	Defined_Bond_Stereo_Count	0
24812	Molecular_Weight	221.17
64120439	Isotope_Atom_Count	0
5463907	Undefined_Bond_Stereo_Count	0
23700188	Hydrogen_Bond_Acceptor_Count	5
19930642	Molecular_Weight	116.12
2771917	Defined_Bond_Stereo_Count	0
101630689	Hydrogen_Bond_Donor_Count	1
440577	Undefined_Bond_Stereo_Count	5
398515	Covalent_Unit_Count	1
84393	TPSA	25.3
37983	Total_Formal_Charge	0
6436140	Hydrogen_Bond_Acceptor_Count	10
15191343	Covalent_Unit_Count	1
68747277	Defined_Atom_Stereo_Count	0
22832	Mono_Isotopic_Weight	786.11240669
71449007	Isotope_Atom_Count	0
364704	Structure_Complexity	435
4650	Structure_Complexity	149
188414	Total_Formal_Charge	0
62388	Undefined_Atom_Stereo_Count	2
4036	Undefined_Bond_Stereo_Count	0
8480	Non-hydrogen_Atom_Count	14
4369451	Rotatable_Bond_Count	3
166594001	Isotope_Atom_Count	0
24183437	Hydrogen_Bond_Donor_Count	4
4832	Mono_Isotopic_Weight	354.20691876
381117	TPSA	112
12339043	Hydrogen_Bond_Acceptor_Count	1
156024996	Rotatable_Bond_Count	111
86856	Molecular_Weight	116.16
57369982	Undefined_Atom_Stereo_Count	0
25151504	Defined_Bond_Stereo_Count	0
10066275	XLogP3-AA	3.2
53436961	Defined_Atom_Stereo_Count	0
346695	Molecular_Weight	261.70
44146477	Isotope_Atom_Count	0
10966	Undefined_Bond_Stereo_Count	0
66112	Hydrogen_Bond_Donor_Count	0
36207	Rotatable_Bond_Count	5
3082717	Tautomer_Count	1
23603	Isotope_Atom_Count	0
2020	Defined_Bond_Stereo_Count	0
2378	TPSA	17.8
13218779	Total_Formal_Charge	0
118210	TPSA	26.3
25700	Rotatable_Bond_Count	3
1414	Undefined_Bond_Stereo_Count	3
13050	TPSA	46.5
124040753	Hydrogen_Bond_Acceptor_Count	6
40474	Rotatable_Bond_Count	1
93321	Isotope_Atom_Count	0
70783	Hydrogen_Bond_Acceptor_Count	1
13772685	Non-hydrogen_Atom_Count	11
74067	Defined_Bond_Stereo_Count	0
15910	Isotope_Atom_Count	0
139084136	Hydrogen_Bond_Donor_Count	0
13317841	TPSA	37.3
10253143	Defined_Bond_Stereo_Count	0
454202	Structure_Complexity	1060
5599	Undefined_Atom_Stereo_Count	0
3005587	Rotatable_Bond_Count	0
10465	Mono_Isotopic_Weight	270.255880323
11462536	TPSA	35.5
5281877	Undefined_Bond_Stereo_Count	0
12607584	Structure_Complexity	88.9
2062	Rotatable_Bond_Count	6
6437850	Undefined_Atom_Stereo_Count	0
12247338	Isotope_Atom_Count	0
14872976	Structure_Complexity	65.1
58655	Rotatable_Bond_Count	3
824	Defined_Atom_Stereo_Count	0
11534927	Isotope_Atom_Count	0
133655777	Rotatable_Bond_Count	6
14511497	Hydrogen_Bond_Donor_Count	2
53931	Molecular_Weight	277.19
53778	Hydrogen_Bond_Acceptor_Count	4
5917	XLogP3	0.1
54758035	Hydrogen_Bond_Donor_Count	1
134925337	Rotatable_Bond_Count	3
16775060	Non-hydrogen_Atom_Count	7
24455	Undefined_Atom_Stereo_Count	0
656629	Defined_Atom_Stereo_Count	4
157857	Non-hydrogen_Atom_Count	15
12310	Structure_Complexity	58.6
22463	Exact_Mass	350.04352203
2117002	Rotatable_Bond_Count	5
92431	Exact_Mass	349.0517138
11959	Structure_Complexity	128
5319422	Hydrogen_Bond_Acceptor_Count	5
5371728	Defined_Atom_Stereo_Count	0
46783763	Tautomer_Count	2
6604914	Mono_Isotopic_Weight	309.1244046
21258259	Undefined_Atom_Stereo_Count	0
497803	Structure_Complexity	572
13609260	Tautomer_Count	3
60825	Total_Formal_Charge	0
3016570	Isotope_Atom_Count	0
102015997	XLogP3-AA	0.6
37517	Molecular_Weight	330.16
94330	Molecular_Weight	488.7
44349142	Hydrogen_Bond_Donor_Count	2
89578803	TPSA	9.2
82202	Tautomer_Count	2
11940	Defined_Atom_Stereo_Count	0
535824	Rotatable_Bond_Count	0
643918	Structure_Complexity	118
459645	Undefined_Bond_Stereo_Count	0
760	Non-hydrogen_Atom_Count	5
18851	Undefined_Atom_Stereo_Count	1
446094	Molecular_Weight	154.3
121459	Undefined_Atom_Stereo_Count	0
12302681	Molecular_Weight	342.30
69046	Structure_Complexity	284
53683774	Total_Formal_Charge	0
9601226	Isotope_Atom_Count	0
289149	Undefined_Bond_Stereo_Count	0
88715	Non-hydrogen_Atom_Count	18
5360521	Exact_Mass	162.04629874
367656	TPSA	35.5
6336	Tautomer_Count	1
9851505	Defined_Bond_Stereo_Count	0
10800	TPSA	112
20433	Total_Formal_Charge	0
20838642	Mono_Isotopic_Weight	391.0741989
21865526	Defined_Bond_Stereo_Count	0
54676715	Covalent_Unit_Count	1
130805	Isotope_Atom_Count	0
22833295	Exact_Mass	766.30363561
7019414	Mono_Isotopic_Weight	110.048012819
66320	Isotope_Atom_Count	0
24807494	Rotatable_Bond_Count	0
185792	Defined_Bond_Stereo_Count	0
278	Molecular_Weight	141.02
5281227	Hydrogen_Bond_Acceptor_Count	2
135423375	Hydrogen_Bond_Donor_Count	4
64502	Tautomer_Count	1
25008940	Defined_Atom_Stereo_Count	2
440274	Hydrogen_Bond_Acceptor_Count	4
4543	Undefined_Bond_Stereo_Count	0
103997	Structure_Complexity	777
25429	Tautomer_Count	3
2764838	Structure_Complexity	113
7742	XLogP3	1.1
6102761	Defined_Atom_Stereo_Count	3
45375946	TPSA	123
5284557	Defined_Atom_Stereo_Count	6
5367460	Hydrogen_Bond_Acceptor_Count	2
20695916	Rotatable_Bond_Count	1
6917865	Hydrogen_Bond_Acceptor_Count	5
18406174	Undefined_Atom_Stereo_Count	2
70280881	Structure_Complexity	241
487101	Undefined_Atom_Stereo_Count	0
130013569	Total_Formal_Charge	0
16953	Non-hydrogen_Atom_Count	21
30214	TPSA	26
39075	Rotatable_Bond_Count	6
55285488	XLogP3-AA	0.1
12246933	Hydrogen_Bond_Acceptor_Count	3
3606	Total_Formal_Charge	0
88728889	TPSA	58.7
15681692	Hydrogen_Bond_Acceptor_Count	2
13240378	Mono_Isotopic_Weight	150.128274515
518455	Non-hydrogen_Atom_Count	8
41787	Undefined_Bond_Stereo_Count	0
450268	Non-hydrogen_Atom_Count	14
54180192	Exact_Mass	85.089149355
19600405	Undefined_Atom_Stereo_Count	0
34676239	Rotatable_Bond_Count	5
10972	Undefined_Bond_Stereo_Count	0
23092834	XLogP3-AA	1.5
20326	Non-hydrogen_Atom_Count	23
23675312	Total_Formal_Charge	0
160743752	Defined_Atom_Stereo_Count	0
95295	Molecular_Weight	156.01
11626560	Hydrogen_Bond_Acceptor_Count	6
21983502	Exact_Mass	97.052763847
87714328	Hydrogen_Bond_Donor_Count	1
6971070	Covalent_Unit_Count	1
18785356	Covalent_Unit_Count	1
3585	Rotatable_Bond_Count	3
16751505	Hydrogen_Bond_Donor_Count	0
4838	Tautomer_Count	1
444	Exact_Mass	239.1076919
2135	Undefined_Bond_Stereo_Count	0
557495	Covalent_Unit_Count	1
3279	Undefined_Bond_Stereo_Count	0
9164	Isotope_Atom_Count	0
19078029	Structure_Complexity	119
107217	Mono_Isotopic_Weight	196.146329876
25169133	Molecular_Weight	349.75
146689865	Covalent_Unit_Count	1
135473834	Non-hydrogen_Atom_Count	33
1368742	Defined_Atom_Stereo_Count	0
129630422	Hydrogen_Bond_Acceptor_Count	22
127036660	Undefined_Atom_Stereo_Count	0
8163	Covalent_Unit_Count	1
39266	Defined_Atom_Stereo_Count	0
70438	Rotatable_Bond_Count	3
135539121	Non-hydrogen_Atom_Count	36
21169	Hydrogen_Bond_Donor_Count	1
881640	Mono_Isotopic_Weight	278.08891244
512282	Rotatable_Bond_Count	6
8567	Mono_Isotopic_Weight	195.11067264
8655	Isotope_Atom_Count	0
6843	Undefined_Atom_Stereo_Count	0
18345891	Undefined_Bond_Stereo_Count	0
46931204	Non-hydrogen_Atom_Count	29
23284	Undefined_Atom_Stereo_Count	1
10329254	Exact_Mass	100.088815002
24780352	Hydrogen_Bond_Donor_Count	2
643789	Undefined_Bond_Stereo_Count	0
133169	Structure_Complexity	155
5459792	Molecular_Weight	132.07
9910975	Structure_Complexity	544
4197	TPSA	65.8
80710	Mono_Isotopic_Weight	585.02524542
55604	Rotatable_Bond_Count	13
669	Covalent_Unit_Count	1
14380	Defined_Atom_Stereo_Count	0
57109318	Rotatable_Bond_Count	0
23672566	Covalent_Unit_Count	2
459140	Mono_Isotopic_Weight	314.105527694
10039774	XLogP3	3
21365956	Molecular_Weight	281.31
9866767	Defined_Bond_Stereo_Count	0
10953456	TPSA	22.4
54071	Undefined_Bond_Stereo_Count	0
129846869	Defined_Bond_Stereo_Count	0
3776	Hydrogen_Bond_Donor_Count	1
545422	Rotatable_Bond_Count	5
67004	Total_Formal_Charge	0
58902739	Undefined_Atom_Stereo_Count	1
9834129	Undefined_Atom_Stereo_Count	1
5170	Hydrogen_Bond_Acceptor_Count	7
18732	Exact_Mass	187.0530695
80040	Covalent_Unit_Count	1
10051341	Hydrogen_Bond_Donor_Count	1
60196377	Hydrogen_Bond_Acceptor_Count	2
54152337	Defined_Bond_Stereo_Count	0
18171	Rotatable_Bond_Count	3
73759751	Mono_Isotopic_Weight	836.52456972
58232624	XLogP3-AA	1.6
521951	Structure_Complexity	387
3804189	Undefined_Bond_Stereo_Count	0
129738164	Structure_Complexity	684
14232	Hydrogen_Bond_Donor_Count	1
123600	Tautomer_Count	5
135411	Mono_Isotopic_Weight	398.18819469
747	Structure_Complexity	574
398635	Hydrogen_Bond_Donor_Count	0
5273621	Total_Formal_Charge	0
5351	XLogP3-AA	1.2
10613	TPSA	132
23497	Exact_Mass	211.08445790
84731066	Total_Formal_Charge	0
9988	Exact_Mass	106.04300762
2724629	Structure_Complexity	486
6420071	Covalent_Unit_Count	2
118705497	Undefined_Bond_Stereo_Count	0
2415	Structure_Complexity	618
67832	Defined_Atom_Stereo_Count	0
23713799	Isotope_Atom_Count	0
19188	Total_Formal_Charge	0
6437842	Hydrogen_Bond_Donor_Count	1
135754	Tautomer_Count	1
102484	Structure_Complexity	111
22024915	Total_Formal_Charge	0
5351197	TPSA	3.2
10309114	Total_Formal_Charge	0
53436345	Non-hydrogen_Atom_Count	7
638228	XLogP3-AA	3.6
137	Hydrogen_Bond_Donor_Count	2
11553183	Hydrogen_Bond_Donor_Count	2
90225710	Isotope_Atom_Count	0
529341	Non-hydrogen_Atom_Count	8
15566577	Total_Formal_Charge	0
701038	Mono_Isotopic_Weight	318.00039
6708773	Hydrogen_Bond_Acceptor_Count	4
20441	Covalent_Unit_Count	1
14812	Undefined_Bond_Stereo_Count	0
547676	Mono_Isotopic_Weight	102.104465066
71583157	Hydrogen_Bond_Acceptor_Count	6
84072504	Exact_Mass	113.047678466
522606	Mono_Isotopic_Weight	121.9382805
20382009	Isotope_Atom_Count	0
12406949	XLogP3-AA	0.4
3922	Molecular_Weight	363.5
447213	Undefined_Atom_Stereo_Count	0
12653319	Mono_Isotopic_Weight	117.078978594
91202	Isotope_Atom_Count	0
72200931	Molecular_Weight	459.7
1031	Isotope_Atom_Count	0
8288	Non-hydrogen_Atom_Count	38
449171	XLogP3	6.3
19039	Hydrogen_Bond_Acceptor_Count	18
11967617	Hydrogen_Bond_Acceptor_Count	12
256019	Mono_Isotopic_Weight	218.04129354
101050964	Structure_Complexity	1630
12295224	Hydrogen_Bond_Donor_Count	1
449101	Undefined_Bond_Stereo_Count	0
2156	XLogP3	7.6
131704233	Hydrogen_Bond_Acceptor_Count	4
5808883	Defined_Atom_Stereo_Count	0
26888	Structure_Complexity	42.2
13795	Undefined_Bond_Stereo_Count	0
54445199	Undefined_Atom_Stereo_Count	0
9554198	Non-hydrogen_Atom_Count	21
448281	Defined_Atom_Stereo_Count	2
139081225	Covalent_Unit_Count	1
51017507	Exact_Mass	1201.84136802
30905	Isotope_Atom_Count	0
644109	TPSA	389
15031772	Hydrogen_Bond_Acceptor_Count	4
118086727	Total_Formal_Charge	0
6857482	Mono_Isotopic_Weight	222.198365449
68414798	Molecular_Weight	387.4
87573795	Rotatable_Bond_Count	29
125037259	Undefined_Bond_Stereo_Count	0
124769750	Defined_Atom_Stereo_Count	8
15267570	Total_Formal_Charge	0
8696	Molecular_Weight	345.34
22643188	Covalent_Unit_Count	1
80871	Hydrogen_Bond_Acceptor_Count	5
167266	Rotatable_Bond_Count	1
11482181	Non-hydrogen_Atom_Count	19
115011062	Molecular_Weight	114.14
1549103	Undefined_Bond_Stereo_Count	0
642163	Defined_Bond_Stereo_Count	0
74229	Total_Formal_Charge	0
15123308	Molecular_Weight	261.28
3464	Defined_Atom_Stereo_Count	0
131728182	Exact_Mass	183.0697956
317457	Defined_Bond_Stereo_Count	0
3560	Hydrogen_Bond_Acceptor_Count	9
12665984	Hydrogen_Bond_Donor_Count	2
6918309	Mono_Isotopic_Weight	440.06129312
11100989	Isotope_Atom_Count	0
14626857	Covalent_Unit_Count	1
19077486	Mono_Isotopic_Weight	444.1728319
130144828	Undefined_Bond_Stereo_Count	0
31721	Defined_Atom_Stereo_Count	0
2801525	Rotatable_Bond_Count	2
439517	Tautomer_Count	2
135542454	Molecular_Weight	351.31
18779169	Non-hydrogen_Atom_Count	8
14173662	Mono_Isotopic_Weight	111.032028402
403275	Undefined_Bond_Stereo_Count	0
85976378	Non-hydrogen_Atom_Count	6
66016	XLogP3-AA	1.3
5554	Exact_Mass	520.39164552
19802062	Total_Formal_Charge	0
22918788	Exact_Mass	88.052429494
7515	Defined_Atom_Stereo_Count	0
35343	TPSA	0
13011	Non-hydrogen_Atom_Count	9
56837137	Covalent_Unit_Count	2
70693264	Defined_Bond_Stereo_Count	0
1469	Undefined_Atom_Stereo_Count	1
13810450	Rotatable_Bond_Count	0
78131	Rotatable_Bond_Count	2
483	Defined_Bond_Stereo_Count	0
15588	Mono_Isotopic_Weight	287.05422040
54401118	Molecular_Weight	82.10
16376	Non-hydrogen_Atom_Count	8
5282437	Structure_Complexity	1060
6323236	Undefined_Atom_Stereo_Count	0
14027412	Molecular_Weight	113.16
122376379	Defined_Atom_Stereo_Count	3
20435	Covalent_Unit_Count	1
12665	Total_Formal_Charge	0
135398634	Hydrogen_Bond_Donor_Count	3
3084338	TPSA	35.2
15477807	Non-hydrogen_Atom_Count	23
84921	Molecular_Weight	129.20
819440	Undefined_Bond_Stereo_Count	0
9526	Isotope_Atom_Count	0
159738	Rotatable_Bond_Count	2
203443	Total_Formal_Charge	0
447362	Non-hydrogen_Atom_Count	30
70810	Rotatable_Bond_Count	1
137967	Rotatable_Bond_Count	0
16129576	TPSA	107
62995	Defined_Bond_Stereo_Count	0
64294	Covalent_Unit_Count	1
70399533	Undefined_Bond_Stereo_Count	0
92884	Total_Formal_Charge	0
65522	Hydrogen_Bond_Acceptor_Count	3
31954	Undefined_Atom_Stereo_Count	0
73166146	Isotope_Atom_Count	0
5534	Tautomer_Count	1
6002001	Isotope_Atom_Count	0
90904309	Defined_Bond_Stereo_Count	0
54459901	Hydrogen_Bond_Acceptor_Count	2
185460	Defined_Bond_Stereo_Count	0
13004	Exact_Mass	84.057514874
19041912	Tautomer_Count	8
9798	Rotatable_Bond_Count	0
10931371	Mono_Isotopic_Weight	97.089149355
54144903	Rotatable_Bond_Count	1
77993	Mono_Isotopic_Weight	382.17149925
4978	Defined_Bond_Stereo_Count	0
147630	Defined_Bond_Stereo_Count	0
100957861	Exact_Mass	116.047344113
87704774	Defined_Bond_Stereo_Count	0
12661295	Isotope_Atom_Count	0
25231140	Undefined_Atom_Stereo_Count	0
14133354	Total_Formal_Charge	0
20056625	Undefined_Atom_Stereo_Count	0
9895194	Defined_Bond_Stereo_Count	0
131673820	Defined_Atom_Stereo_Count	12
12193680	Covalent_Unit_Count	1
134129846	Undefined_Bond_Stereo_Count	0
444627	Undefined_Bond_Stereo_Count	0
87428	Structure_Complexity	143
53878449	Hydrogen_Bond_Donor_Count	1
86187	Exact_Mass	277.0272487
5373773	Isotope_Atom_Count	0
139035087	Defined_Atom_Stereo_Count	0
2309	Hydrogen_Bond_Acceptor_Count	5
41574	Tautomer_Count	3
11829354	Non-hydrogen_Atom_Count	6
10343454	Mono_Isotopic_Weight	444.0910560
123643945	Hydrogen_Bond_Donor_Count	0
87147109	Molecular_Weight	114.14
123642549	Covalent_Unit_Count	1
11169	Rotatable_Bond_Count	0
11926	Mono_Isotopic_Weight	143.073499291
21180574	Rotatable_Bond_Count	0
121493662	Mono_Isotopic_Weight	1663.4923528
60060441	Defined_Bond_Stereo_Count	0
57583195	Defined_Atom_Stereo_Count	0
60196284	Undefined_Atom_Stereo_Count	0
121395450	Non-hydrogen_Atom_Count	21
24180686	Structure_Complexity	420
14712340	Isotope_Atom_Count	0
68809	Defined_Atom_Stereo_Count	0
6951123	Non-hydrogen_Atom_Count	10
135900090	TPSA	220
59221	Mono_Isotopic_Weight	367.15108
2762830	XLogP3-AA	0.6
19094	Tautomer_Count	1
33477	TPSA	153
10192564	Defined_Atom_Stereo_Count	0
6999030	Hydrogen_Bond_Acceptor_Count	6
38017	Undefined_Bond_Stereo_Count	0
135887824	Covalent_Unit_Count	1
73653998	XLogP3-AA	0.4
17094	Non-hydrogen_Atom_Count	11
13809010	Total_Formal_Charge	0
59445439	Exact_Mass	180.06338810
21562395	Rotatable_Bond_Count	2
886677	Undefined_Atom_Stereo_Count	0
67979346	TPSA	72.9
14805639	Mono_Isotopic_Weight	112.088815002
9868037	Rotatable_Bond_Count	6
76609483	Hydrogen_Bond_Acceptor_Count	3
638070	Isotope_Atom_Count	0
5284483	Undefined_Bond_Stereo_Count	0
6328684	Total_Formal_Charge	1
3968000	Non-hydrogen_Atom_Count	28
328257	Non-hydrogen_Atom_Count	7
20361677	Structure_Complexity	84.1
95850	Rotatable_Bond_Count	3
444	Tautomer_Count	2
393601	Defined_Bond_Stereo_Count	0
449223	Molecular_Weight	431.6
261668	Hydrogen_Bond_Donor_Count	0
136649153	Hydrogen_Bond_Acceptor_Count	3
70540665	Defined_Atom_Stereo_Count	0
14026391	TPSA	26.3
36660	Total_Formal_Charge	0
74068	XLogP3-AA	2.6
4633677	Non-hydrogen_Atom_Count	17
87187299	Non-hydrogen_Atom_Count	14
24268	Hydrogen_Bond_Acceptor_Count	3
3571582	Exact_Mass	206.00135954
54687420	Hydrogen_Bond_Donor_Count	1
29629	Mono_Isotopic_Weight	160.109944368
6994151	Exact_Mass	177.091554653
14041	Hydrogen_Bond_Donor_Count	1
44345665	Covalent_Unit_Count	1
6445008	Exact_Mass	295.157228913
9423	Molecular_Weight	254.37
6436540	Non-hydrogen_Atom_Count	24
45248	Total_Formal_Charge	0
11815841	Defined_Bond_Stereo_Count	0
23000221	Defined_Atom_Stereo_Count	0
118052396	Total_Formal_Charge	0
11949689	Tautomer_Count	1
53846425	Isotope_Atom_Count	0
81512	Structure_Complexity	65.1
45791261	Covalent_Unit_Count	1
65923	Hydrogen_Bond_Donor_Count	0
89657	TPSA	49.4
15673	Isotope_Atom_Count	0
14552708	Undefined_Atom_Stereo_Count	1
58270057	XLogP3-AA	1.7
2331	XLogP3	0.6
71342117	Undefined_Atom_Stereo_Count	0
67247924	TPSA	26.3
53737754	Hydrogen_Bond_Donor_Count	0
57624328	Molecular_Weight	116.11
27882	Isotope_Atom_Count	0
790	Structure_Complexity	190
441305	Structure_Complexity	636
22842006	Structure_Complexity	808
17380	Undefined_Bond_Stereo_Count	0
96135	Undefined_Bond_Stereo_Count	0
133967	Tautomer_Count	2
9855548	Tautomer_Count	1
11586735	Molecular_Weight	237.30
21041053	Hydrogen_Bond_Donor_Count	0
391138	XLogP3-AA	2.9
4763	Undefined_Bond_Stereo_Count	0
12604	Defined_Bond_Stereo_Count	0
6942	Total_Formal_Charge	0
5281607	Isotope_Atom_Count	0
12566815	Non-hydrogen_Atom_Count	16
11180	Total_Formal_Charge	0
132279451	TPSA	91
90410375	Mono_Isotopic_Weight	645.18147205
73277	Hydrogen_Bond_Donor_Count	0
22608833	Structure_Complexity	6
24529	Molecular_Weight	47.014
72200863	Undefined_Bond_Stereo_Count	0
10618	Mono_Isotopic_Weight	217.121512110
14359030	TPSA	35.5
12271346	XLogP3-AA	1.3
55509	Exact_Mass	269.06880783
9906028	TPSA	87.4
1361	Hydrogen_Bond_Acceptor_Count	8
169016	Structure_Complexity	408
44475990	Mono_Isotopic_Weight	522.20626205
140934984	TPSA	0
71210617	Covalent_Unit_Count	1
24526	Total_Formal_Charge	0
71399	Exact_Mass	445.1404486
20684386	Covalent_Unit_Count	1
92965	Isotope_Atom_Count	0
75184787	Defined_Bond_Stereo_Count	0
101080369	Defined_Bond_Stereo_Count	0
188206	Defined_Bond_Stereo_Count	0
77991	Tautomer_Count	1
161272	Non-hydrogen_Atom_Count	38
90041889	Rotatable_Bond_Count	1
133687818	TPSA	245
11396	Exact_Mass	156.093900383
567	Exact_Mass	279.009769
1630	Undefined_Atom_Stereo_Count	1
146395	Rotatable_Bond_Count	8
25548	Hydrogen_Bond_Acceptor_Count	14
8193	Non-hydrogen_Atom_Count	13
10760	Hydrogen_Bond_Donor_Count	0
73075931	Mono_Isotopic_Weight	378.13146766
92319	Structure_Complexity	284
57255355	Hydrogen_Bond_Donor_Count	1
54339	Hydrogen_Bond_Acceptor_Count	3
514	Molecular_Weight	483.3
3795	TPSA	76.5
168963	Isotope_Atom_Count	0
16219744	Exact_Mass	252.0165308
78293	XLogP3	2.3
68322078	Hydrogen_Bond_Acceptor_Count	6
319954	Defined_Atom_Stereo_Count	0
10931369	Rotatable_Bond_Count	0
71761627	Defined_Atom_Stereo_Count	0
535	Covalent_Unit_Count	1
17185	Rotatable_Bond_Count	7
99050	TPSA	48.1
96910	Structure_Complexity	342
223866	Mono_Isotopic_Weight	408.20490738
70838	Rotatable_Bond_Count	4
25244372	Undefined_Bond_Stereo_Count	0
5501	Rotatable_Bond_Count	4
132277694	Total_Formal_Charge	0
24807614	Non-hydrogen_Atom_Count	53
5288018	Undefined_Bond_Stereo_Count	0
91826865	Total_Formal_Charge	0
2689	Rotatable_Bond_Count	1
103984	TPSA	27.7
3038506	Defined_Atom_Stereo_Count	1
65360	Undefined_Bond_Stereo_Count	0
76964582	Undefined_Bond_Stereo_Count	0
123804924	Non-hydrogen_Atom_Count	8
5606	Undefined_Bond_Stereo_Count	0
5876	Hydrogen_Bond_Acceptor_Count	6
51577	Total_Formal_Charge	0
68401	TPSA	41.5
115001	Hydrogen_Bond_Donor_Count	0
101666842	Exact_Mass	254.105527694
51082	Molecular_Weight	517.4
14944519	Undefined_Bond_Stereo_Count	0
11751490	Defined_Atom_Stereo_Count	1
829795	Hydrogen_Bond_Donor_Count	2
57228932	XLogP3-AA	1.4
127441	TPSA	52.5
927764	Mono_Isotopic_Weight	256.18992602
134694738	Hydrogen_Bond_Donor_Count	5
1745	Hydrogen_Bond_Donor_Count	2
3435	Defined_Bond_Stereo_Count	0
60060441	Defined_Atom_Stereo_Count	0
21336123	Covalent_Unit_Count	1
20849107	Mono_Isotopic_Weight	353.23279915
736366	Molecular_Weight	202.28
5284557	Covalent_Unit_Count	1
447458	Rotatable_Bond_Count	9
926580	Exact_Mass	279.05000439
91663255	Isotope_Atom_Count	0
558359	Undefined_Atom_Stereo_Count	1
7421	Mono_Isotopic_Weight	137.084063974
57417608	Defined_Bond_Stereo_Count	0
90165975	Defined_Atom_Stereo_Count	6
441289	Molecular_Weight	572.9
444461	Total_Formal_Charge	0
5311335	Defined_Bond_Stereo_Count	0
15410449	Non-hydrogen_Atom_Count	29
76288	Covalent_Unit_Count	1
706167	Isotope_Atom_Count	0
817096	Covalent_Unit_Count	1
91041225	Defined_Bond_Stereo_Count	0
516356	Total_Formal_Charge	0
67240194	Structure_Complexity	123
3713298	TPSA	27.6
8024	XLogP3-AA	1.3
21590561	Isotope_Atom_Count	0
15277	Total_Formal_Charge	0
5068715	Exact_Mass	762.13755881
6119	Total_Formal_Charge	0
61315	Molecular_Weight	326.45
2293	Isotope_Atom_Count	0
2519	Undefined_Atom_Stereo_Count	0
91490	Defined_Bond_Stereo_Count	0
84661	Defined_Atom_Stereo_Count	0
129676242	Structure_Complexity	15
90479	Non-hydrogen_Atom_Count	18
149208291	Structure_Complexity	96.4
139782102	Exact_Mass	96.057514874
6022	Molecular_Weight	427.20
6445017	Rotatable_Bond_Count	4
12936730	Undefined_Bond_Stereo_Count	0
36109	Molecular_Weight	257.33
692189	Undefined_Bond_Stereo_Count	1
4340561	Isotope_Atom_Count	0
91747	XLogP3	3.9
6067	Total_Formal_Charge	1
41575	Hydrogen_Bond_Donor_Count	2
76963834	Defined_Bond_Stereo_Count	0
30552	Defined_Atom_Stereo_Count	3
67241466	Non-hydrogen_Atom_Count	26
22491624	Exact_Mass	111.01427034
29420	Undefined_Bond_Stereo_Count	0
102724	Defined_Bond_Stereo_Count	0
15577855	Mono_Isotopic_Weight	110.073164938
20656	Defined_Atom_Stereo_Count	0
1486	Undefined_Bond_Stereo_Count	0
46893453	Rotatable_Bond_Count	3
8764	Rotatable_Bond_Count	2
636399	Tautomer_Count	1
34574	Undefined_Atom_Stereo_Count	0
26613	Tautomer_Count	1
909750	Molecular_Weight	341.4
2585	Structure_Complexity	508
10937610	Total_Formal_Charge	0
5280567	Undefined_Bond_Stereo_Count	0
197712	Structure_Complexity	475
154091255	Rotatable_Bond_Count	1
87359997	Defined_Bond_Stereo_Count	0
5353830	Undefined_Atom_Stereo_Count	0
28446	Molecular_Weight	165.24
44342925	Defined_Atom_Stereo_Count	2
71371	Molecular_Weight	1471.8
20724	Undefined_Atom_Stereo_Count	1
441336	Tautomer_Count	6
59594915	Exact_Mass	346.13174244
5280453	Undefined_Atom_Stereo_Count	0
6702	Isotope_Atom_Count	0
57215030	Molecular_Weight	108.14
439661	Molecular_Weight	172.23
12209481	XLogP3-AA	1.2
2800	Exact_Mass	405.1859422
7045	Hydrogen_Bond_Acceptor_Count	2
141759193	Isotope_Atom_Count	0
166744	Tautomer_Count	1
656557	TPSA	236
150899	Isotope_Atom_Count	0
46783224	Hydrogen_Bond_Acceptor_Count	7
36005	Covalent_Unit_Count	2
819	Defined_Atom_Stereo_Count	0
38963	Covalent_Unit_Count	2
256539	Structure_Complexity	345
121290492	Hydrogen_Bond_Donor_Count	8
25104740	Mono_Isotopic_Weight	428.19069217
25199807	Defined_Bond_Stereo_Count	2
67435898	Defined_Atom_Stereo_Count	0
51755	Tautomer_Count	1
14325611	Mono_Isotopic_Weight	105.078978594
159812	Undefined_Atom_Stereo_Count	0
46244259	Exact_Mass	441.18346091
69340519	TPSA	59.8
68266	Defined_Atom_Stereo_Count	0
4350929	Defined_Atom_Stereo_Count	0
6604796	Rotatable_Bond_Count	2
68907	Mono_Isotopic_Weight	212.0716407
27993	Hydrogen_Bond_Acceptor_Count	5
25209	Isotope_Atom_Count	0
10131132	Structure_Complexity	222
36781	Non-hydrogen_Atom_Count	14
76539	Covalent_Unit_Count	1
19787479	Undefined_Bond_Stereo_Count	0
9700	Hydrogen_Bond_Donor_Count	4
130600	TPSA	13.6
208924	Mono_Isotopic_Weight	313.1193192
22564561	Mono_Isotopic_Weight	114.068079557
47649	Rotatable_Bond_Count	2
11909	Hydrogen_Bond_Donor_Count	0
40185	Structure_Complexity	77.4
5038	Defined_Atom_Stereo_Count	0
7551	Covalent_Unit_Count	1
10932	Molecular_Weight	103.12
91129494	Molecular_Weight	476.4
15906386	Rotatable_Bond_Count	1
400769	Non-hydrogen_Atom_Count	37
58516110	Defined_Atom_Stereo_Count	0
10118131	Defined_Atom_Stereo_Count	0
3343	Defined_Bond_Stereo_Count	0
13021	Undefined_Bond_Stereo_Count	0
11768605	Undefined_Bond_Stereo_Count	0
20309174	Total_Formal_Charge	0
516996	Mono_Isotopic_Weight	259.97553871
141758017	Exact_Mass	116.047344113
27756	Covalent_Unit_Count	1
139291707	Mono_Isotopic_Weight	1137.4964
6017	Rotatable_Bond_Count	2
6568	Isotope_Atom_Count	0
9884817	Undefined_Bond_Stereo_Count	0
57398254	XLogP3-AA	3.1
6734	TPSA	0
135005	Mono_Isotopic_Weight	196.063662883
163640634	Molecular_Weight	114.15
9973	Covalent_Unit_Count	1
69582	Covalent_Unit_Count	2
2691	Isotope_Atom_Count	0
11769	XLogP3	3.9
55287377	Structure_Complexity	94.4
16051040	Covalent_Unit_Count	1
46206977	Undefined_Atom_Stereo_Count	1
42174	Covalent_Unit_Count	1
73437646	Exact_Mass	323.23675420
297930	Undefined_Bond_Stereo_Count	0
136090	Mono_Isotopic_Weight	104.062600255
10937607	Molecular_Weight	108.18
53898601	Defined_Bond_Stereo_Count	0
6077	Total_Formal_Charge	0
59630221	Mono_Isotopic_Weight	96.093900383
23675747	Structure_Complexity	454
13364	Tautomer_Count	1
14953847	Defined_Atom_Stereo_Count	0
7240	Mono_Isotopic_Weight	127.0188769
3000322	TPSA	62.3
76969110	Defined_Bond_Stereo_Count	7
12708177	Covalent_Unit_Count	1
5496862	Undefined_Bond_Stereo_Count	0
27519	Defined_Atom_Stereo_Count	0
12502948	Exact_Mass	114.104465066
65987055	Defined_Atom_Stereo_Count	0
151062	Tautomer_Count	1
23704140	Exact_Mass	548.26510195
129627802	Hydrogen_Bond_Acceptor_Count	16
21359608	Rotatable_Bond_Count	1
81729	Mono_Isotopic_Weight	204.183778013
21946437	Undefined_Bond_Stereo_Count	0
6169	Mono_Isotopic_Weight	390.1710204
52942212	Isotope_Atom_Count	0
6437392	TPSA	134
1711973	Covalent_Unit_Count	1
4339838	Exact_Mass	633.42798706
12000797	TPSA	61.4
10453145	XLogP3-AA	3.8
14520	Undefined_Bond_Stereo_Count	0
9908126	Hydrogen_Bond_Donor_Count	2
3085267	Exact_Mass	274.06636548
686703	Hydrogen_Bond_Acceptor_Count	3
53846435	Defined_Bond_Stereo_Count	0
11954321	Exact_Mass	251.06545379
139626115	Non-hydrogen_Atom_Count	7
9993573	Molecular_Weight	276.20
20769	Structure_Complexity	125
11366953	Hydrogen_Bond_Donor_Count	0
79946	Isotope_Atom_Count	0
446308	XLogP3-AA	4.9
10269854	TPSA	107
3781	Exact_Mass	285.12996879
89216	Defined_Atom_Stereo_Count	0
56837137	Hydrogen_Bond_Acceptor_Count	12
25058183	Undefined_Bond_Stereo_Count	0
61719	Structure_Complexity	444
2092	Exact_Mass	389.20630436
16739650	Molecular_Weight	372.5
5282215	Total_Formal_Charge	0
8961	Mono_Isotopic_Weight	168.0341926
61098	Defined_Bond_Stereo_Count	0
4552223	Total_Formal_Charge	0
97842	Mono_Isotopic_Weight	170.130679813
73707684	Undefined_Atom_Stereo_Count	1
12524130	Hydrogen_Bond_Donor_Count	0
193972	Hydrogen_Bond_Donor_Count	1
6471	Total_Formal_Charge	0
101271814	Isotope_Atom_Count	0
8051	Structure_Complexity	66.8
54766	TPSA	91.3
281995	Hydrogen_Bond_Donor_Count	0
7059	Undefined_Atom_Stereo_Count	0
639970	XLogP3	3.9
31297	Mono_Isotopic_Weight	113.9542282
53952865	Defined_Atom_Stereo_Count	0
77342	Isotope_Atom_Count	0
3614551	Isotope_Atom_Count	0
123291798	Covalent_Unit_Count	1
17841522	Non-hydrogen_Atom_Count	7
167842	Defined_Bond_Stereo_Count	0
68840	Undefined_Atom_Stereo_Count	0
76	Structure_Complexity	508
445319	Exact_Mass	118.05646950
6386647	Tautomer_Count	3
6334768	Defined_Bond_Stereo_Count	1
100094	Defined_Atom_Stereo_Count	2
423792	Defined_Atom_Stereo_Count	0
13863632	Hydrogen_Bond_Acceptor_Count	1
5281522	Molecular_Weight	204.35
29801	Tautomer_Count	2
11829	Isotope_Atom_Count	0
26383	Hydrogen_Bond_Acceptor_Count	5
10772946	Hydrogen_Bond_Donor_Count	0
54434340	Structure_Complexity	114
54511620	Exact_Mass	98.073164938
26249	Defined_Bond_Stereo_Count	0
137720	Mono_Isotopic_Weight	88.052429494
20497	Hydrogen_Bond_Donor_Count	3
122669	Defined_Atom_Stereo_Count	0
71679410	Mono_Isotopic_Weight	419.34787550
8557	Defined_Atom_Stereo_Count	0
489	Defined_Atom_Stereo_Count	0
59809	Defined_Atom_Stereo_Count	0
75505	Defined_Atom_Stereo_Count	0
8422	Isotope_Atom_Count	0
8354	TPSA	57.6
57397809	Undefined_Bond_Stereo_Count	0
2618	Exact_Mass	454.03001448
10020226	Isotope_Atom_Count	0
93019	XLogP3-AA	1.3
143714846	Mono_Isotopic_Weight	108.093900383
54107	Defined_Bond_Stereo_Count	0
8264	Defined_Atom_Stereo_Count	0
3081459	Isotope_Atom_Count	0
153400963	Structure_Complexity	92.4
57782	Undefined_Bond_Stereo_Count	0
8252	Tautomer_Count	1
3034351	Structure_Complexity	326
3048339	TPSA	23.5
135418174	XLogP3-AA	1.4
19601937	Total_Formal_Charge	0
9860946	Isotope_Atom_Count	0
36192	Defined_Bond_Stereo_Count	0
54759	Covalent_Unit_Count	2
5282168	Molecular_Weight	466.4
46835136	Defined_Atom_Stereo_Count	0
3034043	Rotatable_Bond_Count	8
6364620	Total_Formal_Charge	0
6433417	XLogP3-AA	1
38018	Hydrogen_Bond_Acceptor_Count	0
9549179	Undefined_Atom_Stereo_Count	1
141466486	Non-hydrogen_Atom_Count	7
53708930	Structure_Complexity	87.7
67214	Molecular_Weight	406.4
524682	Hydrogen_Bond_Donor_Count	0
273577	Exact_Mass	248.131348519
95848	Undefined_Atom_Stereo_Count	0
135926580	Hydrogen_Bond_Donor_Count	3
443445	Mono_Isotopic_Weight	454.030097
5413034	Hydrogen_Bond_Acceptor_Count	4
57061642	Defined_Bond_Stereo_Count	0
5484	Mono_Isotopic_Weight	275.08024189
122672078	XLogP3-AA	1.2
7461	Tautomer_Count	1
21192814	Covalent_Unit_Count	1
9929138	Hydrogen_Bond_Donor_Count	2
22094758	Covalent_Unit_Count	1
5365748	Tautomer_Count	1
58265166	Molecular_Weight	180.16
135942119	Undefined_Atom_Stereo_Count	0
21540	Non-hydrogen_Atom_Count	14
28693	Hydrogen_Bond_Acceptor_Count	3
443874	Defined_Bond_Stereo_Count	0
75614	Defined_Bond_Stereo_Count	0
23121765	Defined_Atom_Stereo_Count	0
66688	Tautomer_Count	1
4363644	Isotope_Atom_Count	0
135846942	Molecular_Weight	327.5
516806	Covalent_Unit_Count	6
3591	Undefined_Bond_Stereo_Count	3
41881	TPSA	145
21924633	TPSA	17.1
37873	Molecular_Weight	88.06
1142	Undefined_Bond_Stereo_Count	1
5323606	Structure_Complexity	102
6618895	Undefined_Atom_Stereo_Count	0
115011062	Undefined_Atom_Stereo_Count	0
925690	Exact_Mass	339.15829154
14029616	Molecular_Weight	168.28
62858	Defined_Bond_Stereo_Count	0
139629011	Rotatable_Bond_Count	2
62542	Defined_Bond_Stereo_Count	0
123753428	Defined_Bond_Stereo_Count	0
6918543	Undefined_Atom_Stereo_Count	0
12731218	Hydrogen_Bond_Acceptor_Count	1
6918235	Undefined_Atom_Stereo_Count	0
9533	Structure_Complexity	28.9
31068	Structure_Complexity	440
444025	XLogP3	3.9
123963	Hydrogen_Bond_Acceptor_Count	3
70811	Exact_Mass	332.782093
12647151	Covalent_Unit_Count	1
21700	TPSA	107
67085	Hydrogen_Bond_Acceptor_Count	2
53388310	Non-hydrogen_Atom_Count	30
171527	Exact_Mass	347.1652068
71459117	Defined_Bond_Stereo_Count	0
86129055	Undefined_Atom_Stereo_Count	2
49057	Defined_Atom_Stereo_Count	0
96412	Defined_Atom_Stereo_Count	0
9282	Structure_Complexity	1180
10089	Hydrogen_Bond_Acceptor_Count	3
62389	XLogP3	2.1
136430	Total_Formal_Charge	0
22015566	Mono_Isotopic_Weight	303.100776666
9832750	Molecular_Weight	899.1
6328534	Defined_Atom_Stereo_Count	0
3037914	Non-hydrogen_Atom_Count	28
10285780	Undefined_Atom_Stereo_Count	1
124844	Undefined_Bond_Stereo_Count	0
2776	Hydrogen_Bond_Acceptor_Count	4
5281517	Non-hydrogen_Atom_Count	15
439286	Undefined_Atom_Stereo_Count	0
54289557	Molecular_Weight	132.20
148013616	Defined_Bond_Stereo_Count	0
667468	TPSA	12.5
2455	Undefined_Bond_Stereo_Count	0
70627	Covalent_Unit_Count	1
131003005	Mono_Isotopic_Weight	112.088815002
92319	TPSA	23.8
2779024	XLogP3-AA	0.7
123203551	Undefined_Bond_Stereo_Count	0
53484514	Hydrogen_Bond_Acceptor_Count	3
9989264	TPSA	17.8
93301	Undefined_Bond_Stereo_Count	0
6850789	Undefined_Atom_Stereo_Count	0
33938	Exact_Mass	212.120115130
23670359	Structure_Complexity	377
167685	Rotatable_Bond_Count	5
95258	XLogP3	1.2
16667743	Structure_Complexity	484
60769	Isotope_Atom_Count	0
5359371	Covalent_Unit_Count	1
11561538	Total_Formal_Charge	0
56036	Tautomer_Count	10
220639	Undefined_Bond_Stereo_Count	0
68066	Defined_Bond_Stereo_Count	0
24456	Covalent_Unit_Count	5
165074	Structure_Complexity	113
151275184	Rotatable_Bond_Count	2
117120	Isotope_Atom_Count	0
21155338	TPSA	64.7
53940807	Undefined_Atom_Stereo_Count	0
123215474	Hydrogen_Bond_Donor_Count	3
54477	Mono_Isotopic_Weight	370.08921
66537	Non-hydrogen_Atom_Count	16
77687	Undefined_Atom_Stereo_Count	0
122877	XLogP3-AA	9
11450633	TPSA	93.7
72388	TPSA	40.5
17014	Hydrogen_Bond_Donor_Count	0
439750	Hydrogen_Bond_Donor_Count	2
59167199	Molecular_Weight	110.20
77941	Hydrogen_Bond_Donor_Count	1
78014	Defined_Atom_Stereo_Count	0
6918933	Hydrogen_Bond_Donor_Count	2
3976	Hydrogen_Bond_Acceptor_Count	4
9794126	Undefined_Atom_Stereo_Count	0
5284486	Mono_Isotopic_Weight	284.214015512
17676	Tautomer_Count	2
7241	Defined_Bond_Stereo_Count	0
60196335	Undefined_Bond_Stereo_Count	0
54695720	Isotope_Atom_Count	0
5558	Molecular_Weight	252.73
121410806	Rotatable_Bond_Count	9
20129	Covalent_Unit_Count	1
539061	XLogP3	0.8
5746	Rotatable_Bond_Count	4
38439	Exact_Mass	355.854618
50633	Total_Formal_Charge	0
71237	Mono_Isotopic_Weight	277.04802588
58550597	Isotope_Atom_Count	0
441364	Total_Formal_Charge	0
98136	Rotatable_Bond_Count	2
1549018	Molecular_Weight	164.24
838844	XLogP3-AA	2.2
3917956	Mono_Isotopic_Weight	199.93472
3413668	Total_Formal_Charge	0
57461899	Non-hydrogen_Atom_Count	16
108242	Hydrogen_Bond_Acceptor_Count	1
989384	Mono_Isotopic_Weight	408.13550766
5453	Total_Formal_Charge	0
134695356	Undefined_Bond_Stereo_Count	1
160617	Undefined_Bond_Stereo_Count	0
456058	Molecular_Weight	735.0
757	Molecular_Weight	76.05
6436658	Undefined_Bond_Stereo_Count	0
67541	Rotatable_Bond_Count	2
6436126	Total_Formal_Charge	0
21984	TPSA	102
3388301	Exact_Mass	218.9615744
13707491	Total_Formal_Charge	0
688563	TPSA	81.6
15189027	Isotope_Atom_Count	0
63686	Mono_Isotopic_Weight	517.02418
183812	Defined_Bond_Stereo_Count	0
18139	Molecular_Weight	226.27
11983193	Isotope_Atom_Count	0
68739327	Defined_Bond_Stereo_Count	0
44570889	Hydrogen_Bond_Donor_Count	2
54570042	Mono_Isotopic_Weight	97.089149355
8795	TPSA	41.3
447153	Hydrogen_Bond_Donor_Count	1
154519816	Hydrogen_Bond_Acceptor_Count	4
11655511	Defined_Bond_Stereo_Count	0
74441105	Undefined_Atom_Stereo_Count	2
21946307	Non-hydrogen_Atom_Count	7
6328657	Undefined_Bond_Stereo_Count	0
51003592	Covalent_Unit_Count	1
114823056	TPSA	33
11115	Covalent_Unit_Count	1
28705	Undefined_Atom_Stereo_Count	0
91435	TPSA	60.4
655960	Molecular_Weight	426.5
52230	Non-hydrogen_Atom_Count	21
6419719	Undefined_Atom_Stereo_Count	0
23668193	Defined_Bond_Stereo_Count	0
54408458	Rotatable_Bond_Count	0
53494692	Undefined_Bond_Stereo_Count	0
19159	Defined_Atom_Stereo_Count	0
104870	Mono_Isotopic_Weight	281.0520241
141130780	Hydrogen_Bond_Acceptor_Count	2
159326	Molecular_Weight	378.5
2574	Hydrogen_Bond_Acceptor_Count	3
130664213	Undefined_Bond_Stereo_Count	0
189562	Covalent_Unit_Count	1
93528	TPSA	48.4
10898017	Mono_Isotopic_Weight	768.19831894
136362	Defined_Atom_Stereo_Count	0
66965363	Undefined_Atom_Stereo_Count	0
223578	Defined_Atom_Stereo_Count	0
11286453	Total_Formal_Charge	0
16668	XLogP3	3.6
115157	Rotatable_Bond_Count	22
87357201	TPSA	16.6
69333790	Undefined_Atom_Stereo_Count	0
12958096	Molecular_Weight	128.18
7016	Defined_Atom_Stereo_Count	0
69946325	Exact_Mass	185.10519334
8879	Defined_Atom_Stereo_Count	0
3100	Undefined_Bond_Stereo_Count	0
11693901	Exact_Mass	114.031694049
70359	Undefined_Atom_Stereo_Count	0
10895019	Rotatable_Bond_Count	6
1012	Undefined_Atom_Stereo_Count	8
42586	TPSA	55.8
5377410	Tautomer_Count	2
36149	Undefined_Atom_Stereo_Count	0
9296	Covalent_Unit_Count	1
41649	Mono_Isotopic_Weight	373.1080858
4989215	TPSA	14.1
135435111	Rotatable_Bond_Count	2
86018330	Rotatable_Bond_Count	2
17360	Isotope_Atom_Count	0
83979	TPSA	206
84393	Mono_Isotopic_Weight	205.9723768
54737570	Undefined_Atom_Stereo_Count	1
136120826	Total_Formal_Charge	0
21133161	Structure_Complexity	261
23690430	Structure_Complexity	248
60160561	Undefined_Bond_Stereo_Count	0
4839	Mono_Isotopic_Weight	323.188529040
448803	TPSA	227
93101	Hydrogen_Bond_Acceptor_Count	6
54584292	Covalent_Unit_Count	1
72277	Isotope_Atom_Count	0
17904650	Isotope_Atom_Count	0
649230	Molecular_Weight	424.4
86278347	Structure_Complexity	535
88462	Covalent_Unit_Count	1
54337182	Hydrogen_Bond_Acceptor_Count	1
11844916	Defined_Atom_Stereo_Count	0
12634655	TPSA	0
520396	Undefined_Bond_Stereo_Count	1
77857	Mono_Isotopic_Weight	265.13140809
129754695	Non-hydrogen_Atom_Count	29
21117948	Hydrogen_Bond_Donor_Count	0
471	Structure_Complexity	428
171995	Covalent_Unit_Count	3
979	TPSA	74.6
88007	Exact_Mass	1193.05482142
83119	Mono_Isotopic_Weight	410.199428076
47471	Mono_Isotopic_Weight	473.013446
20517892	TPSA	57.5
5323927	TPSA	25.7
534954	Isotope_Atom_Count	0
101365708	TPSA	71.5
14962	Total_Formal_Charge	0
45120331	Hydrogen_Bond_Acceptor_Count	1
88922160	Covalent_Unit_Count	3
28118	Isotope_Atom_Count	0
19438455	Defined_Bond_Stereo_Count	0
266651	Undefined_Atom_Stereo_Count	12
24802149	Mono_Isotopic_Weight	180.06338810
45358158	XLogP3	2.8
59259660	Undefined_Bond_Stereo_Count	0
77541	Structure_Complexity	164
106	Exact_Mass	185.00892397
2109	Tautomer_Count	1
2752638	Covalent_Unit_Count	1
6437357	Exact_Mass	487.19633427
13270940	Non-hydrogen_Atom_Count	7
19822	Molecular_Weight	687.9
11271	Molecular_Weight	114.19
24748573	Defined_Atom_Stereo_Count	0
582251	XLogP3-AA	1.6
6955724	Structure_Complexity	402
9877346	Molecular_Weight	100.12
5460467	Exact_Mass	9.0121831
118360945	Defined_Atom_Stereo_Count	0
68284	Defined_Atom_Stereo_Count	0
69722	Molecular_Weight	192.19
20172	Isotope_Atom_Count	0
233208	Isotope_Atom_Count	0
12278591	Defined_Atom_Stereo_Count	0
71622657	Defined_Bond_Stereo_Count	0
5363095	Undefined_Atom_Stereo_Count	0
123597	Total_Formal_Charge	0
69640	Hydrogen_Bond_Acceptor_Count	2
5497143	Covalent_Unit_Count	1
136721436	Isotope_Atom_Count	0
26762	Molecular_Weight	229.32
60196294	Defined_Bond_Stereo_Count	0
554	Defined_Bond_Stereo_Count	0
11617559	Covalent_Unit_Count	1
84063982	TPSA	33
79441	Total_Formal_Charge	0
2490	Rotatable_Bond_Count	7
107349	Total_Formal_Charge	0
76223700	Non-hydrogen_Atom_Count	7
2816105	Undefined_Atom_Stereo_Count	0
85776583	Mono_Isotopic_Weight	116.047344113
101417707	Molecular_Weight	262.4
3015009	Tautomer_Count	1
24268	TPSA	62.9
21917771	Hydrogen_Bond_Acceptor_Count	2
52947109	TPSA	85
4594378	Undefined_Bond_Stereo_Count	0
11601669	Exact_Mass	286.193280068
156963289	Rotatable_Bond_Count	6
1013	Hydrogen_Bond_Acceptor_Count	17
9929138	Covalent_Unit_Count	2
216454	Undefined_Bond_Stereo_Count	0
36255	Non-hydrogen_Atom_Count	29
46936900	Mono_Isotopic_Weight	485.27536898
5486793	Non-hydrogen_Atom_Count	24
226147	Covalent_Unit_Count	1
619387	TPSA	51.2
71344821	Hydrogen_Bond_Donor_Count	1
7705	Undefined_Atom_Stereo_Count	0
81767	Defined_Atom_Stereo_Count	0
3865578	Rotatable_Bond_Count	2
2724126	Hydrogen_Bond_Acceptor_Count	1
5282403	Undefined_Atom_Stereo_Count	0
443881	Defined_Atom_Stereo_Count	6
5281071	Hydrogen_Bond_Acceptor_Count	4
18384	TPSA	46.5
13490845	Undefined_Bond_Stereo_Count	0
17963183	Total_Formal_Charge	0
3009817	Mono_Isotopic_Weight	112.100048391
54684337	Undefined_Bond_Stereo_Count	0
76966485	Non-hydrogen_Atom_Count	39
1672	Undefined_Bond_Stereo_Count	0
11032	Undefined_Atom_Stereo_Count	0
1131	Hydrogen_Bond_Acceptor_Count	8
90488914	Defined_Bond_Stereo_Count	0
182951	Molecular_Weight	413.2
26696	Exact_Mass	214.0032864
123888456	Isotope_Atom_Count	0
104897	Undefined_Bond_Stereo_Count	0
721861	Defined_Atom_Stereo_Count	1
118855445	Hydrogen_Bond_Donor_Count	15
28563239	Exact_Mass	99.068413911
44149909	Mono_Isotopic_Weight	691.39449905
66412	TPSA	21.6
163727	Molecular_Weight	236.10
179822	Tautomer_Count	1
60165657	Non-hydrogen_Atom_Count	25
16212360	Total_Formal_Charge	0
89578867	Non-hydrogen_Atom_Count	23
45358055	Mono_Isotopic_Weight	840.37930247
79059	TPSA	42.5
53652433	Mono_Isotopic_Weight	112.052429494
25608	Undefined_Atom_Stereo_Count	0
9502	Undefined_Bond_Stereo_Count	0
96628	TPSA	0
3179255	Hydrogen_Bond_Acceptor_Count	4
6432095	Total_Formal_Charge	0
40469421	Undefined_Atom_Stereo_Count	0
2762785	Defined_Atom_Stereo_Count	0
101606430	TPSA	32.3
9916998	Total_Formal_Charge	0
24891700	Undefined_Atom_Stereo_Count	0
14578458	Exact_Mass	101.084063974
129864962	Structure_Complexity	399
446275	Undefined_Atom_Stereo_Count	0
58375	Covalent_Unit_Count	1
7167	Defined_Bond_Stereo_Count	0
91972121	Covalent_Unit_Count	3
15178987	TPSA	34.1
54265485	Hydrogen_Bond_Donor_Count	2
97325	Undefined_Bond_Stereo_Count	0
10313118	Defined_Atom_Stereo_Count	0
303830	Hydrogen_Bond_Donor_Count	0
60842	Molecular_Weight	458.6
24883860	Defined_Atom_Stereo_Count	10
18100	Rotatable_Bond_Count	1
20806292	Structure_Complexity	55.2
23263244	Molecular_Weight	112.13
37995	XLogP3-AA	3.2
148139	TPSA	124
71586929	Structure_Complexity	212
452126	Non-hydrogen_Atom_Count	24
734	Undefined_Bond_Stereo_Count	1
34956	Exact_Mass	441.963313
9798547	Defined_Atom_Stereo_Count	0
141869079	Non-hydrogen_Atom_Count	7
45381907	Tautomer_Count	17
5281520	Hydrogen_Bond_Acceptor_Count	0
135498233	Defined_Atom_Stereo_Count	0
2065	Mono_Isotopic_Weight	204.05349212
62817	Isotope_Atom_Count	0
162908	Covalent_Unit_Count	1
57725	Tautomer_Count	1
144189552	Molecular_Weight	113.11
24946980	Hydrogen_Bond_Donor_Count	3
87140770	Hydrogen_Bond_Acceptor_Count	3
5657	TPSA	179
4826	Total_Formal_Charge	0
123555270	Covalent_Unit_Count	1
87485	Hydrogen_Bond_Acceptor_Count	3
6303	Isotope_Atom_Count	0
87119	Undefined_Bond_Stereo_Count	0
53803805	Molecular_Weight	114.10
18999023	Undefined_Atom_Stereo_Count	2
4066093	Rotatable_Bond_Count	1
372978	Undefined_Bond_Stereo_Count	0
117190135	Exact_Mass	114.042927438
96269	Hydrogen_Bond_Donor_Count	0
24585	Hydrogen_Bond_Donor_Count	1
94402	Defined_Bond_Stereo_Count	0
22068766	TPSA	74.5
228987	Non-hydrogen_Atom_Count	15
71562042	Rotatable_Bond_Count	5
9340	Defined_Bond_Stereo_Count	0
36980	Molecular_Weight	223.09
11083859	Non-hydrogen_Atom_Count	8
12127	Defined_Bond_Stereo_Count	0
33133	Hydrogen_Bond_Acceptor_Count	4
9577585	Isotope_Atom_Count	0
706167	XLogP3-AA	1.3
159924	Structure_Complexity	26.8
88483174	Defined_Bond_Stereo_Count	0
30215	Rotatable_Bond_Count	0
449107	Molecular_Weight	531.7
9086	Defined_Bond_Stereo_Count	0
923329	Mono_Isotopic_Weight	289.14264148
10110	TPSA	37.3
131632475	Non-hydrogen_Atom_Count	36
545830	Undefined_Bond_Stereo_Count	0
24765417	Non-hydrogen_Atom_Count	19
162343997	Exact_Mass	155.9493327
12544	Non-hydrogen_Atom_Count	32
98207156	Undefined_Atom_Stereo_Count	0
7114	Rotatable_Bond_Count	1
21258259	Hydrogen_Bond_Acceptor_Count	3
663939	Covalent_Unit_Count	1
9026	Exact_Mass	354.31339520
39528	Tautomer_Count	3
25314	Hydrogen_Bond_Donor_Count	1
21673601	Mono_Isotopic_Weight	276.14739250
21691039	Total_Formal_Charge	0
26066	Exact_Mass	74.024203370
6604914	Undefined_Bond_Stereo_Count	0
20226563	Total_Formal_Charge	0
23675786	Mono_Isotopic_Weight	509.0191061
133520	Isotope_Atom_Count	0
104764	Molecular_Weight	323.34
20324725	Mono_Isotopic_Weight	98.036779430
9281	Non-hydrogen_Atom_Count	58
2209	Rotatable_Bond_Count	1
20528	Mono_Isotopic_Weight	267.08954328
6220	TPSA	26.3
3034424	Undefined_Bond_Stereo_Count	0
15110004	Non-hydrogen_Atom_Count	8
118459248	Molecular_Weight	342.30
57505392	Covalent_Unit_Count	1
2782351	Undefined_Bond_Stereo_Count	0
84647594	Non-hydrogen_Atom_Count	6
101000161	Exact_Mass	915.51914999
54081	Hydrogen_Bond_Acceptor_Count	3
8032	Mono_Isotopic_Weight	189.96058025
4911	Rotatable_Bond_Count	7
20298629	Non-hydrogen_Atom_Count	13
6604866	Non-hydrogen_Atom_Count	22
7182	Defined_Bond_Stereo_Count	0
129317	XLogP3-AA	0.6
44310721	TPSA	67.2
518818	Defined_Atom_Stereo_Count	0
37907	Defined_Bond_Stereo_Count	0
12248306	Rotatable_Bond_Count	3
994872	Rotatable_Bond_Count	8
11007	Covalent_Unit_Count	1
31492	Tautomer_Count	1
99730	Undefined_Atom_Stereo_Count	0
10075424	Defined_Bond_Stereo_Count	0
10898949	Total_Formal_Charge	0
9839657	Undefined_Bond_Stereo_Count	0
6496	Covalent_Unit_Count	1
640753	Rotatable_Bond_Count	2
12089	Structure_Complexity	141
101643292	Covalent_Unit_Count	4
135413554	Covalent_Unit_Count	1
24777	Undefined_Bond_Stereo_Count	0
446916	Hydrogen_Bond_Acceptor_Count	4
135491728	Molecular_Weight	359.9
164806	Hydrogen_Bond_Acceptor_Count	9
540327	Structure_Complexity	415
16757730	Rotatable_Bond_Count	5
81472	Hydrogen_Bond_Acceptor_Count	4
22902239	Hydrogen_Bond_Acceptor_Count	2
3788	Undefined_Bond_Stereo_Count	1
458	Hydrogen_Bond_Acceptor_Count	3
4354	TPSA	87.1
16133850	Hydrogen_Bond_Donor_Count	60
124870720	Rotatable_Bond_Count	8
54228006	Defined_Atom_Stereo_Count	0
66612869	Exact_Mass	114.104465066
121231162	Defined_Atom_Stereo_Count	3
76258	Tautomer_Count	1
62322	Hydrogen_Bond_Donor_Count	0
156599202	Mono_Isotopic_Weight	608.15669
642197	Tautomer_Count	1
132451761	Undefined_Bond_Stereo_Count	0
12799845	Isotope_Atom_Count	0
21901092	Exact_Mass	97.016378338
466151	Hydrogen_Bond_Acceptor_Count	8
17092	Undefined_Atom_Stereo_Count	0
12431565	Hydrogen_Bond_Donor_Count	1
11883	Defined_Bond_Stereo_Count	0
72323	XLogP3-AA	3.4
61444	TPSA	95.6
11672659	Defined_Atom_Stereo_Count	0
129627923	TPSA	155
137228490	Covalent_Unit_Count	1
156126	Tautomer_Count	1
2310	Rotatable_Bond_Count	1
75321	Defined_Bond_Stereo_Count	0
167305	Exact_Mass	407.9681475
20113	Rotatable_Bond_Count	8
143719689	Total_Formal_Charge	0
67249135	Mono_Isotopic_Weight	442.11404151
53796209	Covalent_Unit_Count	1
57993933	Hydrogen_Bond_Acceptor_Count	1
131954767	Total_Formal_Charge	1
447994	Undefined_Atom_Stereo_Count	0
69215	Mono_Isotopic_Weight	170.05790880
24180717	Structure_Complexity	711
44457029	Isotope_Atom_Count	0
447980	TPSA	57.7
139759	Structure_Complexity	0
16560	Undefined_Atom_Stereo_Count	0
40234	XLogP3	7.2
9543090	TPSA	91.6
163751	Covalent_Unit_Count	2
1367	Covalent_Unit_Count	1
65662	XLogP3-AA	2.7
124584674	Undefined_Atom_Stereo_Count	0
61534	Undefined_Bond_Stereo_Count	0
2724995	Exact_Mass	239.10655327
2723754	Structure_Complexity	229
224241	Defined_Atom_Stereo_Count	0
10307849	Defined_Atom_Stereo_Count	0
232446	Mono_Isotopic_Weight	268.146329876
67030919	Undefined_Atom_Stereo_Count	0
1706	Exact_Mass	178.121846464
11539725	Molecular_Weight	453.0
11668187	Exact_Mass	387.16952493
57390699	Undefined_Atom_Stereo_Count	0
44962	Hydrogen_Bond_Acceptor_Count	3
493	Mono_Isotopic_Weight	715.17278544
25142444	Undefined_Bond_Stereo_Count	0
170750	Total_Formal_Charge	0
72048	Hydrogen_Bond_Donor_Count	4
440064	Defined_Atom_Stereo_Count	2
53079	Structure_Complexity	287
61345	Rotatable_Bond_Count	2
8766	Total_Formal_Charge	0
49808	Rotatable_Bond_Count	6
65573725	Non-hydrogen_Atom_Count	7
160138	TPSA	40.5
713	TPSA	43.1
711090	Total_Formal_Charge	0
257369	Non-hydrogen_Atom_Count	8
332389	Total_Formal_Charge	0
87079616	Non-hydrogen_Atom_Count	8
12190	Mono_Isotopic_Weight	120.078644241
449171	Defined_Atom_Stereo_Count	0
5954	Structure_Complexity	294
3016570	Exact_Mass	140.120115130
4628	Non-hydrogen_Atom_Count	19
45480603	Hydrogen_Bond_Donor_Count	3
846	Total_Formal_Charge	0
107870	Mono_Isotopic_Weight	307.12805404
13039	TPSA	55.1
154824784	Mono_Isotopic_Weight	402.29813906
57336511	Defined_Bond_Stereo_Count	0
6374	Undefined_Bond_Stereo_Count	0
667490	Hydrogen_Bond_Donor_Count	2
53632493	Total_Formal_Charge	0
4596191	Undefined_Atom_Stereo_Count	1
28332	Tautomer_Count	1
8330	Hydrogen_Bond_Acceptor_Count	2
71305034	Structure_Complexity	636
5267	Defined_Atom_Stereo_Count	0
23647397	Structure_Complexity	921
6918637	Undefined_Atom_Stereo_Count	0
463694	Defined_Bond_Stereo_Count	0
44590447	Hydrogen_Bond_Acceptor_Count	7
6437352	Rotatable_Bond_Count	0
12711601	XLogP3-AA	1.4
8291	Isotope_Atom_Count	0
298082	Hydrogen_Bond_Donor_Count	1
9839657	Hydrogen_Bond_Acceptor_Count	2
131954608	TPSA	116
5274271	Undefined_Bond_Stereo_Count	0
169148	Exact_Mass	202.14297583
9543026	Exact_Mass	821.12577494
71756167	Molecular_Weight	113.12
162291	Molecular_Weight	623.0
60209582	TPSA	75.7
31157	Rotatable_Bond_Count	1
40473404	Covalent_Unit_Count	1
4205687	Non-hydrogen_Atom_Count	8
135449328	Exact_Mass	446.12600561
250451	Hydrogen_Bond_Acceptor_Count	2
150736	Defined_Bond_Stereo_Count	0
22500965	Molecular_Weight	138.17
11126361	Covalent_Unit_Count	1
6366726	Mono_Isotopic_Weight	368.18100131
26662	Hydrogen_Bond_Donor_Count	0
1470718	Defined_Atom_Stereo_Count	0
4369084	Structure_Complexity	477
31286	XLogP3	2.8
24825262	Hydrogen_Bond_Donor_Count	1
10892	XLogP3	2.2
12444299	Non-hydrogen_Atom_Count	35
1069125	Hydrogen_Bond_Acceptor_Count	2
1535935	Exact_Mass	132.05349212
9548681	Defined_Atom_Stereo_Count	0
12172743	Mono_Isotopic_Weight	82.041864811
25110841	Mono_Isotopic_Weight	551.1291086
69342109	Non-hydrogen_Atom_Count	8
99940264	TPSA	190
12295520	Molecular_Weight	110.16
7506	Tautomer_Count	1
727	Exact_Mass	289.857116
10080906	Defined_Atom_Stereo_Count	0
443311	Structure_Complexity	680
44556162	Hydrogen_Bond_Acceptor_Count	11
19829701	Defined_Bond_Stereo_Count	0
91610	Covalent_Unit_Count	1
16212610	Structure_Complexity	382
53723365	Hydrogen_Bond_Acceptor_Count	1
638083	Defined_Bond_Stereo_Count	1
25113190	Mono_Isotopic_Weight	763.08391013
198008	Undefined_Atom_Stereo_Count	0
25244048	Exact_Mass	139.063328530
125286694	Mono_Isotopic_Weight	842.51400504
46912230	Undefined_Bond_Stereo_Count	0
13327	Isotope_Atom_Count	0
4438527	Hydrogen_Bond_Acceptor_Count	21
2903	Hydrogen_Bond_Acceptor_Count	1
61614676	Non-hydrogen_Atom_Count	14
90771502	Non-hydrogen_Atom_Count	8
10267	Mono_Isotopic_Weight	339.99604987
31247	XLogP3-AA	1.4
516806	TPSA	242
2226	Mono_Isotopic_Weight	552.31189162
3029326	Isotope_Atom_Count	0
61534	Hydrogen_Bond_Acceptor_Count	2
64722	Hydrogen_Bond_Donor_Count	1
88010906	Isotope_Atom_Count	0
17842471	Hydrogen_Bond_Acceptor_Count	1
91612585	Non-hydrogen_Atom_Count	8
135409347	Hydrogen_Bond_Acceptor_Count	6
18545678	Undefined_Atom_Stereo_Count	1
7529	Undefined_Atom_Stereo_Count	0
101304	XLogP3	1.2
14842942	Mono_Isotopic_Weight	202.99458
17755248	Undefined_Atom_Stereo_Count	0
21255244	Total_Formal_Charge	0
69932654	Structure_Complexity	76.8
11695008	Hydrogen_Bond_Acceptor_Count	1
9855454	Undefined_Atom_Stereo_Count	1
40785065	Mono_Isotopic_Weight	404.25627424
46837366	Defined_Bond_Stereo_Count	0
527013	Molecular_Weight	350.5
2557	Rotatable_Bond_Count	1
288549	TPSA	55.4
2733768	Structure_Complexity	858
6971127	Molecular_Weight	128.21
65182	TPSA	41.9
297618	Undefined_Bond_Stereo_Count	0
76956202	Isotope_Atom_Count	0
61900360	Structure_Complexity	134
439568	Covalent_Unit_Count	1
6440511	Molecular_Weight	449.6
93418	Defined_Atom_Stereo_Count	0
24207195	Defined_Atom_Stereo_Count	9
141010	Non-hydrogen_Atom_Count	14
57392964	Rotatable_Bond_Count	6
443154	TPSA	196
60196431	Exact_Mass	360.1259001
13235	Structure_Complexity	216
3003004	Defined_Atom_Stereo_Count	0
14044	Mono_Isotopic_Weight	115.063328530
40467109	Undefined_Bond_Stereo_Count	0
2724588	Defined_Bond_Stereo_Count	0
93843	Undefined_Bond_Stereo_Count	0
135564773	Undefined_Atom_Stereo_Count	0
57395308	Hydrogen_Bond_Donor_Count	4
6922	Hydrogen_Bond_Donor_Count	1
2060890	Undefined_Atom_Stereo_Count	0
73183709	Hydrogen_Bond_Donor_Count	1
92237	Non-hydrogen_Atom_Count	20
15439178	Total_Formal_Charge	0
6433573	Undefined_Atom_Stereo_Count	0
693167	Non-hydrogen_Atom_Count	17
44339135	Hydrogen_Bond_Donor_Count	4
31204	Covalent_Unit_Count	2
573419	TPSA	34.9
17959684	Isotope_Atom_Count	0
71761627	Hydrogen_Bond_Donor_Count	3
67320864	Isotope_Atom_Count	0
13620760	Undefined_Atom_Stereo_Count	1
12277625	TPSA	46.2
160419	TPSA	80.3
295965	Defined_Atom_Stereo_Count	0
137808	Molecular_Weight	93.13
129894493	Exact_Mass	1309.62577482
9466	Rotatable_Bond_Count	7
37497	Non-hydrogen_Atom_Count	20
53398649	Exact_Mass	373.1444713
1146	Exact_Mass	59.073499291
3340	Defined_Bond_Stereo_Count	0
89789591	Rotatable_Bond_Count	0
91895876	Non-hydrogen_Atom_Count	31
15199	Undefined_Atom_Stereo_Count	1
9031	Rotatable_Bond_Count	2
5284421	Undefined_Bond_Stereo_Count	0
35454	XLogP3	7.2
585133	Hydrogen_Bond_Donor_Count	1
18530292	Undefined_Bond_Stereo_Count	0
56654130	Undefined_Bond_Stereo_Count	0
123658	Undefined_Bond_Stereo_Count	0
87886	Rotatable_Bond_Count	3
102239760	Molecular_Weight	704.9
24906119	Structure_Complexity	633
6450522	Rotatable_Bond_Count	5
208901	Defined_Bond_Stereo_Count	0
8172	Exact_Mass	150.08920892
11366953	Exact_Mass	94.078250319
2002	Molecular_Weight	246.26
40780	Total_Formal_Charge	0
14296	Rotatable_Bond_Count	0
3014096	Exact_Mass	139.01953253
49862626	Defined_Bond_Stereo_Count	0
133662562	Non-hydrogen_Atom_Count	12
1189	Non-hydrogen_Atom_Count	20
3000	XLogP3	2.3
4141783	Mono_Isotopic_Weight	288.175224706
56841936	Non-hydrogen_Atom_Count	13
127548	Rotatable_Bond_Count	7
14146878	Defined_Bond_Stereo_Count	0
128419	Covalent_Unit_Count	1
8306	Defined_Atom_Stereo_Count	0
637520	TPSA	26.3
5282398	Undefined_Atom_Stereo_Count	0
894	Molecular_Weight	349.23
67645	Mono_Isotopic_Weight	520.9695404
8510	TPSA	80
91711338	Defined_Atom_Stereo_Count	6
72683	Rotatable_Bond_Count	8
25022354	Hydrogen_Bond_Donor_Count	2
14784412	Defined_Bond_Stereo_Count	0
3389	Hydrogen_Bond_Donor_Count	0
141761	Structure_Complexity	68.4
71172	Total_Formal_Charge	0
40931	Molecular_Weight	433.5
3871	Mono_Isotopic_Weight	344.13186158
114829	Exact_Mass	256.07355886
7090	Defined_Atom_Stereo_Count	0
138673	Tautomer_Count	1
16231	Defined_Bond_Stereo_Count	0
9915743	Defined_Bond_Stereo_Count	1
123600	Structure_Complexity	227
10975412	Hydrogen_Bond_Donor_Count	1
43601	Rotatable_Bond_Count	2
1128	Mono_Isotopic_Weight	104.02958605
11192	Defined_Bond_Stereo_Count	0
69681	XLogP3	2.8
93005	Tautomer_Count	2
12232989	Exact_Mass	97.089149355
4627783	Structure_Complexity	84.4
86620451	Isotope_Atom_Count	0
71312086	Total_Formal_Charge	0
70582	Molecular_Weight	328.16
117217480	Undefined_Atom_Stereo_Count	0
18303	XLogP3-AA	0.3
12708563	Mono_Isotopic_Weight	114.104465066
3724	Undefined_Atom_Stereo_Count	4
13226747	Hydrogen_Bond_Acceptor_Count	0
11431716	Total_Formal_Charge	0
18170	Structure_Complexity	129
85802	Total_Formal_Charge	0
54054905	Rotatable_Bond_Count	0
12967	Total_Formal_Charge	0
21507	XLogP3-AA	1.3
6438863	Exact_Mass	1316.1505
561193	Covalent_Unit_Count	1
142034647	Hydrogen_Bond_Donor_Count	1
173548	Mono_Isotopic_Weight	315.17942091
613144	Exact_Mass	255.0217694
178052	Defined_Atom_Stereo_Count	1
18002315	Rotatable_Bond_Count	1
54038691	TPSA	20.2
18380143	Covalent_Unit_Count	1
3497012	Rotatable_Bond_Count	2
8226	Undefined_Atom_Stereo_Count	0
5368491	Hydrogen_Bond_Donor_Count	1
7062	Exact_Mass	165.115364102
6602383	Defined_Atom_Stereo_Count	5
524213	Molecular_Weight	106.16
447534	Defined_Bond_Stereo_Count	0
71636	Total_Formal_Charge	0
134817197	Structure_Complexity	1830
4468	Covalent_Unit_Count	1
54601732	Undefined_Atom_Stereo_Count	0
11054313	Molecular_Weight	257.31
12161	TPSA	0
3657	Covalent_Unit_Count	1
442882	Defined_Atom_Stereo_Count	0
23378923	Hydrogen_Bond_Acceptor_Count	1
60336	Structure_Complexity	205
14119	Undefined_Atom_Stereo_Count	0
9727	Hydrogen_Bond_Donor_Count	2
159832	Undefined_Atom_Stereo_Count	0
12431565	Covalent_Unit_Count	1
136733	Exact_Mass	149.99041897
121734	Hydrogen_Bond_Acceptor_Count	3
31005	Hydrogen_Bond_Acceptor_Count	2
10171540	Defined_Atom_Stereo_Count	0
145946920	Hydrogen_Bond_Donor_Count	8
107970	Mono_Isotopic_Weight	307.251129295
598777	TPSA	51.8
15213038	Non-hydrogen_Atom_Count	6
348669	Total_Formal_Charge	0
11263488	Rotatable_Bond_Count	0
88261	Defined_Bond_Stereo_Count	0
66615678	Covalent_Unit_Count	1
6432198	Hydrogen_Bond_Donor_Count	1
6432	Hydrogen_Bond_Acceptor_Count	8
12001922	Total_Formal_Charge	0
141096113	Isotope_Atom_Count	0
167195	Structure_Complexity	0
566032	Total_Formal_Charge	0
4628	Structure_Complexity	446
82938	Exact_Mass	247.895076
345901	Undefined_Bond_Stereo_Count	0
88705879	TPSA	46.2
53960	Structure_Complexity	295
135589409	Structure_Complexity	277
57385371	Molecular_Weight	432.9
11116249	Exact_Mass	152.0141259
141112	Undefined_Atom_Stereo_Count	0
316975	Exact_Mass	209.01466426
774262	Undefined_Bond_Stereo_Count	0
8083388	Rotatable_Bond_Count	4
35	Rotatable_Bond_Count	2
81476	Undefined_Bond_Stereo_Count	0
3016754	Covalent_Unit_Count	2
6419536	TPSA	50.2
54729367	Total_Formal_Charge	0
67128140	Non-hydrogen_Atom_Count	8
870718	Exact_Mass	250.09535693
10131269	Defined_Atom_Stereo_Count	2
49517	Non-hydrogen_Atom_Count	41
24766297	XLogP3-AA	7.5
95849	Non-hydrogen_Atom_Count	8
11423561	Hydrogen_Bond_Acceptor_Count	1
78644	Defined_Atom_Stereo_Count	0
45029742	Exact_Mass	302.07903816
88283211	Defined_Atom_Stereo_Count	0
5184	Undefined_Atom_Stereo_Count	5
13019065	Non-hydrogen_Atom_Count	30
151117	Rotatable_Bond_Count	4
48041	Covalent_Unit_Count	1
16129706	Covalent_Unit_Count	1
231	Structure_Complexity	362
10560335	Undefined_Atom_Stereo_Count	0
8768	Non-hydrogen_Atom_Count	10
59018485	Total_Formal_Charge	0
30152	Covalent_Unit_Count	1
226102	Structure_Complexity	191
452949	Defined_Atom_Stereo_Count	8
129010331	Covalent_Unit_Count	1
11137094	Exact_Mass	94.078250319
12820526	Total_Formal_Charge	0
73075931	Molecular_Weight	378.4
3037032	TPSA	60.4
86042	Undefined_Atom_Stereo_Count	1
71332025	Undefined_Bond_Stereo_Count	1
3197630	Total_Formal_Charge	0
39546	Structure_Complexity	464
129726370	Defined_Atom_Stereo_Count	0
6851	TPSA	152
6148	Mono_Isotopic_Weight	275.188529040
51357128	XLogP3-AA	1.3
103786	Molecular_Weight	248.22
279506	TPSA	57.5
22054419	TPSA	34.9
8584	Molecular_Weight	403.5
49864766	TPSA	57.8
13159	Molecular_Weight	98.19
36976	TPSA	108
146050491	Hydrogen_Bond_Acceptor_Count	56
19608838	TPSA	41.6
3085389	Undefined_Atom_Stereo_Count	1
42963	Mono_Isotopic_Weight	294.12157168
6365145	Tautomer_Count	6
6097028	Exact_Mass	132.02047791
5460544	Mono_Isotopic_Weight	145.03750770
4888	Hydrogen_Bond_Acceptor_Count	4
42128	Total_Formal_Charge	0
73943	Mono_Isotopic_Weight	154.02416388
5460183	Exact_Mass	1328.564325
5404	XLogP3	4.8
57560	Mono_Isotopic_Weight	240.126263138
77018	Hydrogen_Bond_Donor_Count	0
1463	Isotope_Atom_Count	0
41892	Hydrogen_Bond_Donor_Count	1
640997	Structure_Complexity	37.9
6400	Undefined_Atom_Stereo_Count	0
89484493	Undefined_Bond_Stereo_Count	0
447587	Total_Formal_Charge	0
77843966	Tautomer_Count	308
51001299	Mono_Isotopic_Weight	375.15513817
158553	TPSA	333
557356	TPSA	83.9
11521070	Mono_Isotopic_Weight	99.068413911
237766	Exact_Mass	294.0117431
60605	Defined_Bond_Stereo_Count	0
642132	Undefined_Bond_Stereo_Count	0
443732	Mono_Isotopic_Weight	71.073499291
5486971	Defined_Bond_Stereo_Count	0
8648	Defined_Bond_Stereo_Count	0
25244520	Defined_Bond_Stereo_Count	0
93290	Defined_Atom_Stereo_Count	0
519559	Tautomer_Count	2
396765	Covalent_Unit_Count	1
71453204	Defined_Atom_Stereo_Count	1
221523	TPSA	9.2
53967	Total_Formal_Charge	0
71494926	Isotope_Atom_Count	0
3836	Non-hydrogen_Atom_Count	31
44352909	Undefined_Bond_Stereo_Count	0
4068	Exact_Mass	706.84518
6440180	Undefined_Bond_Stereo_Count	0
9548711	Rotatable_Bond_Count	4
4228493	Covalent_Unit_Count	1
22612	Hydrogen_Bond_Acceptor_Count	2
68704	Covalent_Unit_Count	1
137249786	Mono_Isotopic_Weight	538.30428706
28430	Total_Formal_Charge	0
158221895	Undefined_Bond_Stereo_Count	0
66586378	Defined_Atom_Stereo_Count	0
91339524	Molecular_Weight	96.13
22242539	Molecular_Weight	116.14
16052015	Isotope_Atom_Count	0
160355	Hydrogen_Bond_Acceptor_Count	6
18484	Hydrogen_Bond_Acceptor_Count	4
102109	Rotatable_Bond_Count	0
54306059	Total_Formal_Charge	0
54037464	Undefined_Bond_Stereo_Count	0
107640	Molecular_Weight	682.8
18727534	Undefined_Bond_Stereo_Count	0
6419902	Rotatable_Bond_Count	11
6539985	Defined_Atom_Stereo_Count	0
16396350	Defined_Atom_Stereo_Count	2
4659387	TPSA	99.9
643497	Molecular_Weight	341.4
519514	TPSA	12.5
122534114	Exact_Mass	342.11621151
11525	Isotope_Atom_Count	0
66435	Non-hydrogen_Atom_Count	24
20205	Hydrogen_Bond_Acceptor_Count	2
87409	Defined_Bond_Stereo_Count	0
44630107	Tautomer_Count	1
5281643	TPSA	207
52931256	Total_Formal_Charge	0
10665223	Rotatable_Bond_Count	3
5365022	Exact_Mass	490.547752233
6132	Rotatable_Bond_Count	6
20055558	TPSA	153
10478142	XLogP3-AA	2.9
28425	Covalent_Unit_Count	1
11332437	Rotatable_Bond_Count	0
21670825	XLogP3-AA	6.6
11966141	Structure_Complexity	1450
1450	XLogP3	2.8
6539016	Total_Formal_Charge	0
8362	Tautomer_Count	4
92873	Undefined_Atom_Stereo_Count	0
173	Hydrogen_Bond_Acceptor_Count	4
82693	XLogP3	2.9
73619	Hydrogen_Bond_Acceptor_Count	6
4075159	Non-hydrogen_Atom_Count	24
4410	Hydrogen_Bond_Acceptor_Count	7
2064111	Defined_Bond_Stereo_Count	0
52948810	Molecular_Weight	362.8
42317	Undefined_Bond_Stereo_Count	0
44571022	Defined_Atom_Stereo_Count	0
54150876	Structure_Complexity	165
411580	Covalent_Unit_Count	1
140568	Covalent_Unit_Count	1
65526	Rotatable_Bond_Count	2
17997105	Defined_Atom_Stereo_Count	0
13559279	Molecular_Weight	433.6
14709	Mono_Isotopic_Weight	330.21949481
70250504	Mono_Isotopic_Weight	544.24744090
22954661	Defined_Bond_Stereo_Count	0
56840904	Mono_Isotopic_Weight	639.95350
154202106	Rotatable_Bond_Count	1
146159250	Covalent_Unit_Count	1
135423792	TPSA	81.2
13573327	Isotope_Atom_Count	0
92292	Non-hydrogen_Atom_Count	15
5711036	Mono_Isotopic_Weight	179.05171847
12242919	Structure_Complexity	0
64949	Defined_Atom_Stereo_Count	0
23616669	Undefined_Bond_Stereo_Count	0
15273919	Hydrogen_Bond_Acceptor_Count	2
22015243	Exact_Mass	114.068079557
23205	Total_Formal_Charge	0
4921934	Mono_Isotopic_Weight	180.175224706
90352849	Isotope_Atom_Count	0
3032732	Hydrogen_Bond_Donor_Count	0
70498808	Undefined_Atom_Stereo_Count	0
638072	Hydrogen_Bond_Acceptor_Count	0
688044	Hydrogen_Bond_Acceptor_Count	2
15988075	Mono_Isotopic_Weight	362.08782677
31016	Total_Formal_Charge	0
3651377	TPSA	67.5
23674	Defined_Bond_Stereo_Count	0
162117	Total_Formal_Charge	0
3037171	TPSA	180
78759347	Covalent_Unit_Count	2
25323	Structure_Complexity	139
519834	Rotatable_Bond_Count	2
61033	Tautomer_Count	1
70729	Molecular_Weight	118.10
10997120	Isotope_Atom_Count	0
445319	Hydrogen_Bond_Acceptor_Count	2
73801102	Rotatable_Bond_Count	3
41020	Non-hydrogen_Atom_Count	30
11005	Non-hydrogen_Atom_Count	16
34521	Rotatable_Bond_Count	2
47897	Defined_Bond_Stereo_Count	0
7964	Structure_Complexity	46.1
123969077	Structure_Complexity	90.6
15684	Exact_Mass	175.9795702
19731	Rotatable_Bond_Count	4
444698	Rotatable_Bond_Count	4
27893	Undefined_Atom_Stereo_Count	1
24020	Mono_Isotopic_Weight	130.099379685
288	TPSA	60.4
89395924	Hydrogen_Bond_Donor_Count	1
9249	TPSA	0
72712745	Covalent_Unit_Count	1
18642481	Isotope_Atom_Count	0
54757838	TPSA	107
5932	Rotatable_Bond_Count	2
20824	Total_Formal_Charge	0
28144	Total_Formal_Charge	0
13514	Exact_Mass	159.924948
91825716	TPSA	66.4
163714395	Rotatable_Bond_Count	1
19709	Rotatable_Bond_Count	2
10972	Tautomer_Count	3
108938	Total_Formal_Charge	0
447021	XLogP3-AA	2.4
441397	Hydrogen_Bond_Donor_Count	2
45117195	Covalent_Unit_Count	1
5281098	Hydrogen_Bond_Donor_Count	1
161032	Mono_Isotopic_Weight	130.04523611
3032361	TPSA	64.4
44353367	Structure_Complexity	506
161094262	Non-hydrogen_Atom_Count	6
160435	Undefined_Bond_Stereo_Count	0
135455617	Total_Formal_Charge	0
16219944	Hydrogen_Bond_Donor_Count	5
90475888	Exact_Mass	470.99330419
14274724	Molecular_Weight	352.6
4916	Non-hydrogen_Atom_Count	21
94357	TPSA	0
6866	Non-hydrogen_Atom_Count	12
180621	Molecular_Weight	179.26
22221797	Exact_Mass	182.018755
9960	Total_Formal_Charge	0
108003	Hydrogen_Bond_Acceptor_Count	5
3377	Rotatable_Bond_Count	6
90429111	Exact_Mass	115.026943022
98954	Hydrogen_Bond_Donor_Count	0
22198	Structure_Complexity	55.5
3853591	Mono_Isotopic_Weight	191.01917756
65506	Non-hydrogen_Atom_Count	36
524645	Rotatable_Bond_Count	2
543121	TPSA	47.6
19816653	Covalent_Unit_Count	1
21024274	Molecular_Weight	118.17
606430	Hydrogen_Bond_Donor_Count	0
418745	Mono_Isotopic_Weight	134.059246208
90812	Undefined_Bond_Stereo_Count	0
3073200	Isotope_Atom_Count	0
398592	Non-hydrogen_Atom_Count	19
11412346	Isotope_Atom_Count	0
449488	Undefined_Bond_Stereo_Count	0
144813235	Undefined_Bond_Stereo_Count	0
62158	Hydrogen_Bond_Donor_Count	3
136059	Non-hydrogen_Atom_Count	8
136508	Rotatable_Bond_Count	0
84693	Mono_Isotopic_Weight	112.088815002
12548640	Molecular_Weight	113.16
12755803	Rotatable_Bond_Count	3
11163893	Total_Formal_Charge	0
13566	Undefined_Bond_Stereo_Count	0
16143	Exact_Mass	192.151415257
137968081	Exact_Mass	645.22909095
71482479	Structure_Complexity	125
6436870	Molecular_Weight	393.5
156323004	Defined_Atom_Stereo_Count	0
73759663	TPSA	93.1
611446	Hydrogen_Bond_Acceptor_Count	0
16129878	Mono_Isotopic_Weight	1700.1729741
10898675	Exact_Mass	112.052429494
54024247	TPSA	37.3
92866	Structure_Complexity	105
10964423	Hydrogen_Bond_Acceptor_Count	3
167811	Non-hydrogen_Atom_Count	28
155907178	Covalent_Unit_Count	3
16130295	Mono_Isotopic_Weight	6507.0413833
19100334	Isotope_Atom_Count	0
11815279	Non-hydrogen_Atom_Count	6
104902	Isotope_Atom_Count	0
30717	Undefined_Bond_Stereo_Count	0
102360081	Hydrogen_Bond_Donor_Count	1
141849	Structure_Complexity	70.4
20503852	Isotope_Atom_Count	0
2184	Rotatable_Bond_Count	17
11867	Molecular_Weight	174.18
18624855	Covalent_Unit_Count	1
92151	Defined_Atom_Stereo_Count	0
5356392	Total_Formal_Charge	0
138200	Covalent_Unit_Count	1
12997	XLogP3-AA	4.6
21390696	Mono_Isotopic_Weight	94.016712692
59295968	Non-hydrogen_Atom_Count	34
135398698	Non-hydrogen_Atom_Count	16
54136480	Exact_Mass	118.062994177
19239	Covalent_Unit_Count	1
44581145	TPSA	166
7880	Undefined_Bond_Stereo_Count	0
145721979	Total_Formal_Charge	0
14815775	Exact_Mass	111.068413911
6435836	Undefined_Atom_Stereo_Count	0
58801077	XLogP3-AA	0.5
369373	Molecular_Weight	348.5
146157010	Hydrogen_Bond_Acceptor_Count	3
117659387	Undefined_Atom_Stereo_Count	2
70211	Hydrogen_Bond_Donor_Count	0
93321	Molecular_Weight	348.5
14786268	Mono_Isotopic_Weight	114.068079557
11394	Total_Formal_Charge	0
70163	Rotatable_Bond_Count	2
5474229	Undefined_Bond_Stereo_Count	0
5095	Isotope_Atom_Count	0
715	Undefined_Bond_Stereo_Count	0
15629	Molecular_Weight	214.65
2762830	Tautomer_Count	2
36354	Hydrogen_Bond_Donor_Count	1
13428	Mono_Isotopic_Weight	258.876139
68321854	Mono_Isotopic_Weight	337.15387487
54704426	Exact_Mass	480.1299435
9899007	Total_Formal_Charge	0
66708587	Covalent_Unit_Count	1
16759596	Isotope_Atom_Count	0
19027761	Total_Formal_Charge	0
16047027	Structure_Complexity	954
5719	Defined_Atom_Stereo_Count	0
90987052	Hydrogen_Bond_Acceptor_Count	0
10005242	Structure_Complexity	588
130000966	Exact_Mass	101.084063974
58608	XLogP3-AA	3.4
15939272	Total_Formal_Charge	0
95512	Structure_Complexity	268
968625	Total_Formal_Charge	0
4668	Hydrogen_Bond_Acceptor_Count	2
23843	Mono_Isotopic_Weight	195.125928785
143817431	XLogP3-AA	0.1
21917899	Molecular_Weight	180.20
17963315	Hydrogen_Bond_Donor_Count	1
5122	Hydrogen_Bond_Acceptor_Count	3
63333521	Defined_Bond_Stereo_Count	0
864969	Structure_Complexity	448
134693050	Structure_Complexity	756
87322	Exact_Mass	190.01541072
13699300	Hydrogen_Bond_Donor_Count	0
46229348	Structure_Complexity	1100
77680	Covalent_Unit_Count	1
23724827	Covalent_Unit_Count	3
24183437	Defined_Bond_Stereo_Count	0
11332503	Covalent_Unit_Count	1
11817188	Exact_Mass	234.198365449
89240655	Non-hydrogen_Atom_Count	8
57131946	Defined_Bond_Stereo_Count	0
57372628	Total_Formal_Charge	0
71068	TPSA	100
3883	Tautomer_Count	1
38035	Mono_Isotopic_Weight	255.961333
24819	Rotatable_Bond_Count	0
8432	Mono_Isotopic_Weight	178.099379685
590581	Hydrogen_Bond_Acceptor_Count	3
14663555	Defined_Atom_Stereo_Count	0
3715	Molecular_Weight	357.8
58611	Defined_Atom_Stereo_Count	0
45116623	Non-hydrogen_Atom_Count	7
60044692	Non-hydrogen_Atom_Count	8
95295	Defined_Atom_Stereo_Count	0
6420074	Total_Formal_Charge	0
16155603	Structure_Complexity	4430
6904	Structure_Complexity	147
538	Total_Formal_Charge	0
57395973	TPSA	73.5
448042	Undefined_Atom_Stereo_Count	0
68921	Defined_Atom_Stereo_Count	7
13781092	Hydrogen_Bond_Acceptor_Count	6
45039617	Exact_Mass	709.2706908
3035451	TPSA	124
19962896	Exact_Mass	96.068748264
75211	Hydrogen_Bond_Acceptor_Count	6
93538	Tautomer_Count	1
93171	Defined_Bond_Stereo_Count	0
77727	Defined_Atom_Stereo_Count	0
58795738	Total_Formal_Charge	0
107715	Non-hydrogen_Atom_Count	45
101209	Defined_Bond_Stereo_Count	0
123237074	Undefined_Bond_Stereo_Count	0
53249048	Undefined_Bond_Stereo_Count	0
22879	Non-hydrogen_Atom_Count	26
74981	Undefined_Atom_Stereo_Count	0
11181837	Total_Formal_Charge	1
2795	Total_Formal_Charge	0
5340	TPSA	122
57223656	Defined_Bond_Stereo_Count	0
11589453	Hydrogen_Bond_Donor_Count	1
18364965	TPSA	53.8
11150526	Mono_Isotopic_Weight	293.16270821
57483528	Defined_Bond_Stereo_Count	0
6919101	Structure_Complexity	73.1
46840007	Molecular_Weight	87.12
10664	Mono_Isotopic_Weight	240.0432331
91572	Hydrogen_Bond_Acceptor_Count	4
60956	XLogP3-AA	0.3
41867	Mono_Isotopic_Weight	543.17406074
2583694	Rotatable_Bond_Count	4
164072	Defined_Atom_Stereo_Count	0
271488	Isotope_Atom_Count	0
19768189	Exact_Mass	115.063328530
17918606	Rotatable_Bond_Count	1
10138980	Structure_Complexity	730
15529	Covalent_Unit_Count	1
5281609	Structure_Complexity	957
71311389	Exact_Mass	257.925853
53628842	Exact_Mass	169.0658271
440274	Undefined_Atom_Stereo_Count	0
543995	Exact_Mass	114.068079557
20623556	Structure_Complexity	123
13668	Hydrogen_Bond_Acceptor_Count	3
216416	Exact_Mass	413.235479232
44395101	Defined_Bond_Stereo_Count	0
12075598	Rotatable_Bond_Count	0
136364887	Isotope_Atom_Count	0
69424	Structure_Complexity	177
73415798	Defined_Bond_Stereo_Count	3
131852189	Total_Formal_Charge	0
317859	Undefined_Atom_Stereo_Count	0
198015	Defined_Bond_Stereo_Count	0
9823302	Exact_Mass	421.036590
18719	Covalent_Unit_Count	1
98520	Isotope_Atom_Count	0
6795	Isotope_Atom_Count	0
50631	Total_Formal_Charge	0
14842863	TPSA	149
134824609	Rotatable_Bond_Count	19
54272739	Hydrogen_Bond_Acceptor_Count	2
96095	Non-hydrogen_Atom_Count	16
10612	Defined_Atom_Stereo_Count	0
5544	TPSA	115
14577976	TPSA	51
73566	Defined_Bond_Stereo_Count	0
14072448	Structure_Complexity	78.4
146158506	XLogP3-AA	2.5
2723854	Isotope_Atom_Count	0
657298	Hydrogen_Bond_Acceptor_Count	2
139080230	Defined_Bond_Stereo_Count	2
12608294	Structure_Complexity	77.6
643209	Rotatable_Bond_Count	2
3059	Defined_Bond_Stereo_Count	0
170234	Defined_Bond_Stereo_Count	0
54422686	Molecular_Weight	103.12
57392006	XLogP3-AA	3.3
68511084	Mono_Isotopic_Weight	465.16542422
8585	Covalent_Unit_Count	2
60710317	Molecular_Weight	108.10
89399997	Total_Formal_Charge	0
5885	Non-hydrogen_Atom_Count	48
22909	Covalent_Unit_Count	1
11427975	Covalent_Unit_Count	1
47649	XLogP3-AA	1.9
11378454	Undefined_Bond_Stereo_Count	0
87844643	Structure_Complexity	76.1
85576	Total_Formal_Charge	0
87186939	Hydrogen_Bond_Donor_Count	1
20350152	Isotope_Atom_Count	0
5280649	Rotatable_Bond_Count	3
10811	Covalent_Unit_Count	1
9000	Defined_Atom_Stereo_Count	0
19176	Undefined_Atom_Stereo_Count	2
551778	Undefined_Bond_Stereo_Count	0
2734680	Undefined_Bond_Stereo_Count	0
622688	Undefined_Bond_Stereo_Count	0
97135	Defined_Bond_Stereo_Count	0
57641	Defined_Bond_Stereo_Count	0
135398737	XLogP3-AA	3.1
170049	Hydrogen_Bond_Donor_Count	4
144513	Mono_Isotopic_Weight	96.093900383
96291	TPSA	20.2
7557	Total_Formal_Charge	0
21382	Non-hydrogen_Atom_Count	21
715287	Exact_Mass	303.11538136
90487065	XLogP3-AA	0.2
31729	Exact_Mass	287.15214353
91439	Total_Formal_Charge	0
24771782	XLogP3-AA	4.7
402045	Undefined_Atom_Stereo_Count	0
3906779	Hydrogen_Bond_Acceptor_Count	6
134694146	Defined_Atom_Stereo_Count	6
6450531	Undefined_Atom_Stereo_Count	0
5666	Tautomer_Count	1
91618104	Mono_Isotopic_Weight	440.1615184
3625248	Rotatable_Bond_Count	0
436520	TPSA	3.2
7955	Undefined_Atom_Stereo_Count	0
50894	Mono_Isotopic_Weight	308.17360725
23679441	Tautomer_Count	28
308140	Rotatable_Bond_Count	1
17753880	Hydrogen_Bond_Acceptor_Count	4
21962683	TPSA	0
33728341	Covalent_Unit_Count	1
9846588	Isotope_Atom_Count	0
18475804	Hydrogen_Bond_Donor_Count	0
75868	Molecular_Weight	272.21
71572	Tautomer_Count	2
2218	Defined_Bond_Stereo_Count	0
9842	Mono_Isotopic_Weight	118.04300762
14866914	Molecular_Weight	102.09
26035	Defined_Bond_Stereo_Count	0
121827	Defined_Bond_Stereo_Count	0
6537499	Exact_Mass	616.36113323
68128	Undefined_Bond_Stereo_Count	0
5288082	Covalent_Unit_Count	1
140710	Exact_Mass	116.083729621
50997747	Total_Formal_Charge	0
10411334	Defined_Bond_Stereo_Count	0
164877	Covalent_Unit_Count	1
11488	Covalent_Unit_Count	1
6918525	Defined_Bond_Stereo_Count	0
58143010	Non-hydrogen_Atom_Count	8
10300618	Hydrogen_Bond_Donor_Count	0
37366	TPSA	66.4
64994767	Covalent_Unit_Count	1
141363	Hydrogen_Bond_Donor_Count	0
6437379	Undefined_Atom_Stereo_Count	0
5370611	Defined_Bond_Stereo_Count	1
53465	Hydrogen_Bond_Donor_Count	0
4438527	Molecular_Weight	679.0
5535	Undefined_Bond_Stereo_Count	0
21473742	Exact_Mass	107.048347172
70969	Tautomer_Count	1
13085350	Isotope_Atom_Count	0
381525	Structure_Complexity	328
6538	Molecular_Weight	430.9
53677339	Structure_Complexity	77.8
439260	Structure_Complexity	142
225	Undefined_Atom_Stereo_Count	7
56654130	Structure_Complexity	851
12842107	Defined_Atom_Stereo_Count	0
71312086	TPSA	98
49597	Undefined_Atom_Stereo_Count	0
46926544	Undefined_Atom_Stereo_Count	0
135398637	Mono_Isotopic_Weight	602.95699208
68526	Hydrogen_Bond_Acceptor_Count	1
51432351	Covalent_Unit_Count	1
270901	TPSA	67.5
76959818	Mono_Isotopic_Weight	369.254203300
20775240	Hydrogen_Bond_Donor_Count	0
6172	Structure_Complexity	489
24848419	Isotope_Atom_Count	0
10333	Rotatable_Bond_Count	0
62705862	Non-hydrogen_Atom_Count	37
5411	Hydrogen_Bond_Acceptor_Count	4
12541465	Molecular_Weight	166.60
10027278	Isotope_Atom_Count	0
16211283	Defined_Bond_Stereo_Count	0
522003	Exact_Mass	132.115029749
1549109	Defined_Atom_Stereo_Count	0
4306558	Defined_Atom_Stereo_Count	0
10443	Rotatable_Bond_Count	0
639661	Total_Formal_Charge	0
9543220	Hydrogen_Bond_Donor_Count	2
5280373	Undefined_Atom_Stereo_Count	0
2228691	Molecular_Weight	367.8
60144418	XLogP3-AA	2.5
66803155	Covalent_Unit_Count	1
6327109	Hydrogen_Bond_Donor_Count	1
16526	Hydrogen_Bond_Acceptor_Count	4
84647642	Total_Formal_Charge	0
57395267	Undefined_Bond_Stereo_Count	0
8106	TPSA	1
67591	Structure_Complexity	204
11246	Non-hydrogen_Atom_Count	5
14872976	Mono_Isotopic_Weight	112.074896272
69204	Undefined_Atom_Stereo_Count	0
59295968	Covalent_Unit_Count	1
10256668	Non-hydrogen_Atom_Count	40
398579	Exact_Mass	493.16262
4096517	Hydrogen_Bond_Donor_Count	0
94011387	Undefined_Bond_Stereo_Count	0
6431038	Defined_Atom_Stereo_Count	0
153088	Total_Formal_Charge	0
6481	Defined_Atom_Stereo_Count	0
10089	Undefined_Atom_Stereo_Count	1
53917786	Mono_Isotopic_Weight	113.022526347
78759347	Hydrogen_Bond_Acceptor_Count	12
144891979	XLogP3-AA	0.8
94268	Defined_Bond_Stereo_Count	0
44144474	Hydrogen_Bond_Acceptor_Count	7
53731118	Structure_Complexity	139
19782023	Exact_Mass	86.084398327
17163	XLogP3-AA	5.4
622606	Undefined_Bond_Stereo_Count	0
141508	Undefined_Bond_Stereo_Count	0
18414852	Undefined_Atom_Stereo_Count	0
9047	Total_Formal_Charge	0
22041940	Non-hydrogen_Atom_Count	7
32184	TPSA	90.5
130026523	TPSA	17.1
170944	Hydrogen_Bond_Donor_Count	1
11496886	Undefined_Atom_Stereo_Count	0
51997	TPSA	62.6
121599	Molecular_Weight	100.12
13854255	Undefined_Atom_Stereo_Count	0
196	Hydrogen_Bond_Donor_Count	2
32343	Defined_Bond_Stereo_Count	0
11513929	Exact_Mass	197.047678466
5362119	Hydrogen_Bond_Acceptor_Count	7
165363121	Non-hydrogen_Atom_Count	19
146019527	Exact_Mass	691.061419
3026	Non-hydrogen_Atom_Count	20
21895383	Hydrogen_Bond_Donor_Count	1
77662	Structure_Complexity	170
6918412	TPSA	246
6067	Molecular_Weight	340.5
4068	Structure_Complexity	801
4658963	Hydrogen_Bond_Donor_Count	2
16971	Isotope_Atom_Count	0
7454	Exact_Mass	277.87649
23527	Hydrogen_Bond_Donor_Count	2
67513158	Hydrogen_Bond_Acceptor_Count	2
20469	Tautomer_Count	9
7003	Total_Formal_Charge	0
86916	Hydrogen_Bond_Acceptor_Count	3
351	Molecular_Weight	483.5
9508	Undefined_Bond_Stereo_Count	0
6420020	Structure_Complexity	494
4239	Defined_Atom_Stereo_Count	0
5702167	TPSA	103
67437	Exact_Mass	156.115029749
64718	Molecular_Weight	436.6
5352449	Molecular_Weight	248.4
79126	TPSA	40.5
13099193	Mono_Isotopic_Weight	113.084063974
21158442	Structure_Complexity	688
23238	Mono_Isotopic_Weight	88.088815002
65590	Hydrogen_Bond_Donor_Count	0
13072114	Hydrogen_Bond_Acceptor_Count	9
44458766	TPSA	157
44409094	Rotatable_Bond_Count	8
398700	Exact_Mass	560.03762
4993	Undefined_Atom_Stereo_Count	0
28506	Structure_Complexity	328
93079	Hydrogen_Bond_Donor_Count	0
5371562	Isotope_Atom_Count	0
11611	Total_Formal_Charge	0
91981561	Hydrogen_Bond_Acceptor_Count	5
54032194	Covalent_Unit_Count	1
5370481	Non-hydrogen_Atom_Count	11
12309464	Hydrogen_Bond_Acceptor_Count	4
1030	TPSA	40.5
125958	Tautomer_Count	1
12408	Tautomer_Count	1
5358	Hydrogen_Bond_Donor_Count	2
6479	Isotope_Atom_Count	0
163285285	Exact_Mass	288.020082
19220	Mono_Isotopic_Weight	189.115364102
6877	Undefined_Atom_Stereo_Count	0
15122	Exact_Mass	123.9846556
6553	Non-hydrogen_Atom_Count	5
696	Defined_Atom_Stereo_Count	0
44545852	Hydrogen_Bond_Donor_Count	1
3733	Non-hydrogen_Atom_Count	50
73241	Structure_Complexity	171
68097	Hydrogen_Bond_Donor_Count	2
695341	XLogP3	1.3
9893474	Defined_Atom_Stereo_Count	0
14592758	Rotatable_Bond_Count	1
6604889	TPSA	69.2
6735	Exact_Mass	132.057514874
9918460	Hydrogen_Bond_Donor_Count	2
30619	Hydrogen_Bond_Donor_Count	1
6917900	Total_Formal_Charge	0
109029	Defined_Bond_Stereo_Count	0
71739	Mono_Isotopic_Weight	298.168127949
68187620	Defined_Bond_Stereo_Count	0
1497	Structure_Complexity	552
6552009	Total_Formal_Charge	0
3003004	Hydrogen_Bond_Donor_Count	1
9920327	Isotope_Atom_Count	0
82325	Mono_Isotopic_Weight	440.0398049
46228852	Rotatable_Bond_Count	3
87906	Undefined_Atom_Stereo_Count	0
54581861	Rotatable_Bond_Count	6
118499237	Isotope_Atom_Count	0
65015	TPSA	78.7
75840	Covalent_Unit_Count	1
57692074	Isotope_Atom_Count	0
6436015	Hydrogen_Bond_Donor_Count	0
157882	Isotope_Atom_Count	0
12201322	Covalent_Unit_Count	2
6996	Covalent_Unit_Count	1
5378630	Undefined_Bond_Stereo_Count	0
72924	Exact_Mass	139.026943022
6454351	Covalent_Unit_Count	1
90102662	Covalent_Unit_Count	1
48279	Tautomer_Count	1
398731	Defined_Bond_Stereo_Count	0
4566	Defined_Atom_Stereo_Count	0
10197650	Undefined_Atom_Stereo_Count	0
657690	Total_Formal_Charge	1
4156	Hydrogen_Bond_Acceptor_Count	3
447626	Defined_Bond_Stereo_Count	0
86007746	Defined_Bond_Stereo_Count	0
44183616	Undefined_Bond_Stereo_Count	0
19420003	Rotatable_Bond_Count	1
76700	Defined_Bond_Stereo_Count	0
20519788	Covalent_Unit_Count	1
146674701	Hydrogen_Bond_Donor_Count	0
3673	Hydrogen_Bond_Donor_Count	0
16735405	Hydrogen_Bond_Acceptor_Count	12
11285	Isotope_Atom_Count	0
17948	Non-hydrogen_Atom_Count	18
56638112	XLogP3-AA	2.9
900	Undefined_Atom_Stereo_Count	5
53151	Undefined_Atom_Stereo_Count	0
321710	TPSA	29.1
19907834	Isotope_Atom_Count	0
83815	Defined_Bond_Stereo_Count	0
18523096	Isotope_Atom_Count	0
58438464	XLogP3-AA	4.4
5362712	Tautomer_Count	1
5281672	Undefined_Atom_Stereo_Count	0
5460822	Covalent_Unit_Count	1
6443800	Rotatable_Bond_Count	9
26132	Total_Formal_Charge	0
68529525	Exact_Mass	102.068079557
71850	Rotatable_Bond_Count	4
8419	Undefined_Atom_Stereo_Count	0
6437064	Non-hydrogen_Atom_Count	50
909860	Isotope_Atom_Count	0
60966	Rotatable_Bond_Count	0
56683653	Defined_Bond_Stereo_Count	0
6620134	TPSA	94.8
57734486	Defined_Bond_Stereo_Count	1
3328	Defined_Atom_Stereo_Count	0
351770	Undefined_Bond_Stereo_Count	0
25246274	Isotope_Atom_Count	0
5486799	Undefined_Atom_Stereo_Count	0
14060968	XLogP3-AA	0
20729526	Exact_Mass	114.104465066
69333790	Mono_Isotopic_Weight	113.058911855
53724680	Mono_Isotopic_Weight	99.104799419
10103139	Undefined_Bond_Stereo_Count	0
129747104	Defined_Bond_Stereo_Count	0
95961	Hydrogen_Bond_Donor_Count	1
22037858	Exact_Mass	86.011627311
135456058	Isotope_Atom_Count	0
12021	Mono_Isotopic_Weight	90.031694049
68019	Molecular_Weight	205.95
134836185	TPSA	35.2
22086042	Total_Formal_Charge	0
5359272	Hydrogen_Bond_Donor_Count	1
132980806	Exact_Mass	1354.567399
2583	Defined_Atom_Stereo_Count	0
7614	Defined_Bond_Stereo_Count	0
16501	Exact_Mass	99.068413911
159772	Tautomer_Count	4
24892775	Non-hydrogen_Atom_Count	34
10131842	Hydrogen_Bond_Donor_Count	0
12562238	Non-hydrogen_Atom_Count	8
644206	Non-hydrogen_Atom_Count	5
71458922	Covalent_Unit_Count	1
16181	Structure_Complexity	159
40521	Exact_Mass	335.0724492
66803	Non-hydrogen_Atom_Count	19
5351154	Tautomer_Count	108
103451510	Total_Formal_Charge	0
101602	Rotatable_Bond_Count	2
2753113	Isotope_Atom_Count	0
136797998	Structure_Complexity	555
9859210	Exact_Mass	215.0560502
129859073	XLogP3-AA	2.9
4054	TPSA	26
90487295	Isotope_Atom_Count	0
93011	Mono_Isotopic_Weight	163.0400063
44276024	TPSA	55.3
107689	Structure_Complexity	59.1
593411	Exact_Mass	170.109550447
445678	Isotope_Atom_Count	0
5152	Mono_Isotopic_Weight	415.27225866
44279790	Undefined_Atom_Stereo_Count	1
8894	Defined_Atom_Stereo_Count	0
12285891	Hydrogen_Bond_Donor_Count	5
20279146	Mono_Isotopic_Weight	171.125928785
60200126	Undefined_Bond_Stereo_Count	0
17831	Defined_Bond_Stereo_Count	0
60154326	Defined_Bond_Stereo_Count	0
19010321	Undefined_Atom_Stereo_Count	0
79096	Hydrogen_Bond_Acceptor_Count	1
5011	Defined_Atom_Stereo_Count	0
6456014	Mono_Isotopic_Weight	433.20015635
39732	Structure_Complexity	317
3406	Rotatable_Bond_Count	0
135403591	Tautomer_Count	9
4547	Undefined_Atom_Stereo_Count	1
76704	Total_Formal_Charge	0
57005537	Exact_Mass	114.068079557
131668620	Mono_Isotopic_Weight	1056.4252209
16132443	Tautomer_Count	996
61041	Covalent_Unit_Count	1
53952576	Structure_Complexity	78
5199	TPSA	348
2972	Rotatable_Bond_Count	0
6834	Exact_Mass	318.07316
73889	TPSA	41.1
59966656	Rotatable_Bond_Count	6
9872438	Hydrogen_Bond_Acceptor_Count	9
53708136	Defined_Atom_Stereo_Count	0
7005	Exact_Mass	144.057514874
24978514	Covalent_Unit_Count	9
91280177	Non-hydrogen_Atom_Count	8
13905	Rotatable_Bond_Count	5
135920970	Defined_Bond_Stereo_Count	0
138851	Mono_Isotopic_Weight	114.042927438
44197135	Defined_Bond_Stereo_Count	0
16757678	Molecular_Weight	288.4
150868	Total_Formal_Charge	0
22387107	Molecular_Weight	110.11
13003788	Molecular_Weight	110.15
234	Total_Formal_Charge	0
16654980	Hydrogen_Bond_Donor_Count	1
59709	TPSA	438
333850	Non-hydrogen_Atom_Count	16
51082	Undefined_Bond_Stereo_Count	0
73415804	Defined_Bond_Stereo_Count	0
123243	Molecular_Weight	76.10
90016	Undefined_Bond_Stereo_Count	0
28064676	Rotatable_Bond_Count	1
25192275	Molecular_Weight	447.5
316473	TPSA	20.2
3039	Structure_Complexity	181
34127	Molecular_Weight	514.4
71453775	Non-hydrogen_Atom_Count	33
143321	Mono_Isotopic_Weight	110.109550447
20648653	XLogP3-AA	0.9
20702319	Structure_Complexity	111
6364	Mono_Isotopic_Weight	76.03467143
5353422	Hydrogen_Bond_Donor_Count	1
163701	Covalent_Unit_Count	2
66252	Covalent_Unit_Count	1
8307	Tautomer_Count	3
1800393	Undefined_Atom_Stereo_Count	0
85867	Covalent_Unit_Count	1
12743050	Defined_Atom_Stereo_Count	0
18755330	Rotatable_Bond_Count	1
13713368	Non-hydrogen_Atom_Count	27
9026	Hydrogen_Bond_Donor_Count	1
501728	Hydrogen_Bond_Acceptor_Count	8
68986097	TPSA	147
31362	Undefined_Atom_Stereo_Count	2
556743	Molecular_Weight	108.18
375481	Undefined_Atom_Stereo_Count	1
12310714	Undefined_Atom_Stereo_Count	1
88093948	XLogP3-AA	5.1
18004024	Isotope_Atom_Count	0
9931	Mono_Isotopic_Weight	305.177964357
19357220	Exact_Mass	115.074561919
60196363	Exact_Mass	415.21474379
98930	Hydrogen_Bond_Acceptor_Count	2
285725	TPSA	41.5
274234	Isotope_Atom_Count	0
71432895	Hydrogen_Bond_Donor_Count	1
42839	Covalent_Unit_Count	1
12263095	Undefined_Atom_Stereo_Count	0
16113753	Structure_Complexity	500
11291932	Rotatable_Bond_Count	3
201538	Tautomer_Count	1
2725002	TPSA	39.4
135564558	Isotope_Atom_Count	0
21903	Undefined_Bond_Stereo_Count	0
1515	Total_Formal_Charge	0
15511	Mono_Isotopic_Weight	104.06597156
12480891	TPSA	3.2
53846435	XLogP3-AA	5.1
7029	Total_Formal_Charge	0
446142	Undefined_Atom_Stereo_Count	0
16065257	Total_Formal_Charge	0
720471	Total_Formal_Charge	0
53316388	Hydrogen_Bond_Donor_Count	2
83907	Tautomer_Count	1
6437875	Undefined_Bond_Stereo_Count	0
281660	Hydrogen_Bond_Donor_Count	4
87282052	Molecular_Weight	103.08
410087	Molecular_Weight	364.95
50912739	Structure_Complexity	3140
5748352	Exact_Mass	892.5353131
6429	Exact_Mass	169.9313180
21158	Undefined_Bond_Stereo_Count	0
1308	Non-hydrogen_Atom_Count	26
70695665	Defined_Atom_Stereo_Count	3
53479	Defined_Atom_Stereo_Count	0
10460	Undefined_Atom_Stereo_Count	0
66080	Exact_Mass	96.093900383
91053206	Structure_Complexity	2330
5464263	Undefined_Bond_Stereo_Count	0
3198	Covalent_Unit_Count	1
23662389	Molecular_Weight	361.31
20106599	Defined_Bond_Stereo_Count	0
146396	Isotope_Atom_Count	0
71751164	Undefined_Bond_Stereo_Count	0
6432709	Covalent_Unit_Count	1
49796490	Undefined_Atom_Stereo_Count	0
54071	Mono_Isotopic_Weight	244.0978555
11523	Total_Formal_Charge	0
9956	Exact_Mass	109.063997236
5702690	TPSA	220
10964	Mono_Isotopic_Weight	72.021129366
67443	Defined_Atom_Stereo_Count	0
11475	Non-hydrogen_Atom_Count	9
22304	Rotatable_Bond_Count	11
11527282	XLogP3-AA	5.1
127394	Non-hydrogen_Atom_Count	21
72401	TPSA	162
23274077	Undefined_Atom_Stereo_Count	0
21144838	Isotope_Atom_Count	0
908	Defined_Bond_Stereo_Count	0
91042	Defined_Atom_Stereo_Count	0
14084036	Isotope_Atom_Count	0
19999	Undefined_Bond_Stereo_Count	0
85248	Defined_Atom_Stereo_Count	0
81836	Hydrogen_Bond_Donor_Count	0
125127453	Rotatable_Bond_Count	3
9552077	Rotatable_Bond_Count	0
135409438	Exact_Mass	289.05760550
82045	Total_Formal_Charge	0
5253	Hydrogen_Bond_Donor_Count	3
65389	Undefined_Atom_Stereo_Count	0
45086609	Structure_Complexity	170
9942132	Hydrogen_Bond_Donor_Count	0
117957447	Mono_Isotopic_Weight	102.079312947
171092	Hydrogen_Bond_Acceptor_Count	2
123673485	Defined_Atom_Stereo_Count	0
73438935	Defined_Atom_Stereo_Count	11
59709	Undefined_Bond_Stereo_Count	0
30627	Rotatable_Bond_Count	10
89881183	Exact_Mass	396.1101515
694857	Rotatable_Bond_Count	5
58752	Defined_Bond_Stereo_Count	0
7372	Molecular_Weight	211.5
110862	Undefined_Bond_Stereo_Count	0
5288527	Rotatable_Bond_Count	4
16429	Covalent_Unit_Count	2
12003287	TPSA	110
5362417	Covalent_Unit_Count	1
10197657	Isotope_Atom_Count	0
138115739	Hydrogen_Bond_Donor_Count	12
105008	Mono_Isotopic_Weight	435.24095853
123661139	Undefined_Atom_Stereo_Count	2
139194774	Non-hydrogen_Atom_Count	8
359778	Rotatable_Bond_Count	4
9868491	Tautomer_Count	1
91655	Non-hydrogen_Atom_Count	15
71584544	Hydrogen_Bond_Donor_Count	2
689013	Total_Formal_Charge	0
22747783	Isotope_Atom_Count	0
80278	Molecular_Weight	248.25
82891	Undefined_Atom_Stereo_Count	0
14842942	Undefined_Atom_Stereo_Count	0
4090	Structure_Complexity	607
23747	Isotope_Atom_Count	0
5463854	Total_Formal_Charge	0
160554	Mono_Isotopic_Weight	231.977956
31261	Non-hydrogen_Atom_Count	7
110976	Hydrogen_Bond_Acceptor_Count	2
123288617	Undefined_Bond_Stereo_Count	0
136264090	Molecular_Weight	1145.3
1687	Hydrogen_Bond_Acceptor_Count	2
16414	Defined_Atom_Stereo_Count	0
949	Exact_Mass	121.089149355
44620953	TPSA	348
139179563	Exact_Mass	1340.42790691
60825	Molecular_Weight	229.26
688107	XLogP3	1.9
635911	Non-hydrogen_Atom_Count	43
90658992	Hydrogen_Bond_Acceptor_Count	8
1006	Undefined_Atom_Stereo_Count	2
10470290	Defined_Atom_Stereo_Count	0
959571	Hydrogen_Bond_Acceptor_Count	5
2994	Rotatable_Bond_Count	11
91556	Defined_Atom_Stereo_Count	0
12964	Structure_Complexity	84.2
21719984	XLogP3-AA	1.2
9961434	Rotatable_Bond_Count	27
177980	Isotope_Atom_Count	0
6438130	TPSA	55.1
13195837	Isotope_Atom_Count	0
21789	Hydrogen_Bond_Acceptor_Count	2
155294764	Rotatable_Bond_Count	14
4441	TPSA	225
51029964	Defined_Atom_Stereo_Count	1
15817	Tautomer_Count	2
25133630	Undefined_Bond_Stereo_Count	0
83224	Mono_Isotopic_Weight	214.15689456
122121	Tautomer_Count	1
91819969	Covalent_Unit_Count	1
135566455	Undefined_Atom_Stereo_Count	0
84197	Isotope_Atom_Count	0
48011	Tautomer_Count	6
518874	Isotope_Atom_Count	0
119097769	TPSA	26.3
13050832	Covalent_Unit_Count	1
3036656	Rotatable_Bond_Count	7
61071	Defined_Bond_Stereo_Count	0
13129596	Covalent_Unit_Count	1
573612	Total_Formal_Charge	0
11344362	Molecular_Weight	181.15
7804	Undefined_Atom_Stereo_Count	0
22909	Non-hydrogen_Atom_Count	21
24901283	Undefined_Bond_Stereo_Count	0
9433	Undefined_Bond_Stereo_Count	0
9892540	XLogP3-AA	3.8
8779	Hydrogen_Bond_Donor_Count	0
13538	Defined_Bond_Stereo_Count	0
46869955	Molecular_Weight	409.5
159326	Rotatable_Bond_Count	5
44125832	Isotope_Atom_Count	0
21103	TPSA	41.5
11671	Rotatable_Bond_Count	1
135566069	Non-hydrogen_Atom_Count	108
972	Undefined_Bond_Stereo_Count	0
94396	Total_Formal_Charge	0
668508	Rotatable_Bond_Count	4
6112	Covalent_Unit_Count	1
135476784	Molecular_Weight	239.23
59772010	Undefined_Atom_Stereo_Count	0
56840781	Undefined_Atom_Stereo_Count	0
903738	Isotope_Atom_Count	0
259360	Molecular_Weight	105.14
53464	Undefined_Bond_Stereo_Count	0
117717938	Defined_Bond_Stereo_Count	0
20725980	Exact_Mass	500.33491849
23103	Undefined_Bond_Stereo_Count	0
4934	Total_Formal_Charge	1
92588	Mono_Isotopic_Weight	110.073164938
68845	Isotope_Atom_Count	0
134693124	Rotatable_Bond_Count	6
91235442	Rotatable_Bond_Count	0
135437	Exact_Mass	183.06604493
18822	Covalent_Unit_Count	1
102594	Non-hydrogen_Atom_Count	7
58550596	Defined_Bond_Stereo_Count	0
104149	Tautomer_Count	1
77408	Exact_Mass	152.120115130
20054871	Undefined_Atom_Stereo_Count	0
190714	XLogP3-AA	1.3
108956	Non-hydrogen_Atom_Count	37
59609	Defined_Atom_Stereo_Count	0
14870212	TPSA	49.3
6451148	Isotope_Atom_Count	0
14970970	Undefined_Atom_Stereo_Count	1
53657	Hydrogen_Bond_Acceptor_Count	2
15043600	Total_Formal_Charge	0
22456671	TPSA	52
9570071	Hydrogen_Bond_Donor_Count	1
4613278	Exact_Mass	117.055169145
131850873	Non-hydrogen_Atom_Count	11
82755	Defined_Bond_Stereo_Count	0
31281	Defined_Bond_Stereo_Count	0
11335	Hydrogen_Bond_Acceptor_Count	1
12200728	Defined_Bond_Stereo_Count	0
24752	Hydrogen_Bond_Donor_Count	1
3954	Non-hydrogen_Atom_Count	34
121316818	Isotope_Atom_Count	0
4402648	Undefined_Bond_Stereo_Count	0
95064	Molecular_Weight	211.34
40813	Undefined_Atom_Stereo_Count	0
7152	Molecular_Weight	177.16
8027	Covalent_Unit_Count	1
32142	Non-hydrogen_Atom_Count	14
3080557	XLogP3-AA	1.7
796857	Rotatable_Bond_Count	2
9737	Undefined_Atom_Stereo_Count	0
3404326	Exact_Mass	209.05875492
16129809	Exact_Mass	1131.32532709
14042	Undefined_Bond_Stereo_Count	0
91148	Undefined_Atom_Stereo_Count	2
135753908	Total_Formal_Charge	0
75714	Non-hydrogen_Atom_Count	8
86784	Structure_Complexity	85
25171648	Mono_Isotopic_Weight	492.22737416
24191	XLogP3-AA	3.4
122877	Covalent_Unit_Count	1
138319323	Total_Formal_Charge	0
1393	Isotope_Atom_Count	0
38350	Hydrogen_Bond_Acceptor_Count	5
11195	Mono_Isotopic_Weight	153.924450
16219293	Defined_Atom_Stereo_Count	0
6427080	Rotatable_Bond_Count	5
148837046	Hydrogen_Bond_Donor_Count	1
15715913	Rotatable_Bond_Count	3
66255	Defined_Atom_Stereo_Count	6
11380778	Total_Formal_Charge	0
71310415	Total_Formal_Charge	0
755373	Undefined_Atom_Stereo_Count	0
56955186	Hydrogen_Bond_Acceptor_Count	3
23724530	Non-hydrogen_Atom_Count	73
9823302	Structure_Complexity	414
41095	Molecular_Weight	249.35
23847	Undefined_Bond_Stereo_Count	0
76415	Total_Formal_Charge	0
139135915	Hydrogen_Bond_Acceptor_Count	2
4584	Defined_Atom_Stereo_Count	0
87468122	Defined_Bond_Stereo_Count	0
145273722	Total_Formal_Charge	0
123470675	XLogP3-AA	3.1
60196321	Defined_Bond_Stereo_Count	0
67849558	Structure_Complexity	129
556498	Mono_Isotopic_Weight	176.120115130
408770	Undefined_Bond_Stereo_Count	0
7636	Molecular_Weight	184.27
71302984	Non-hydrogen_Atom_Count	8
78979	TPSA	0
9898814	Structure_Complexity	92.4
108150	Total_Formal_Charge	0
11218470	Hydrogen_Bond_Acceptor_Count	3
74695	Exact_Mass	139.02335542
9026	Covalent_Unit_Count	1
102293	Isotope_Atom_Count	0
9162	XLogP3	7
16051969	Non-hydrogen_Atom_Count	78
146157736	XLogP3-AA	0.6
796414	Hydrogen_Bond_Acceptor_Count	3
137616	Isotope_Atom_Count	0
325385	Hydrogen_Bond_Donor_Count	0
60875	Defined_Atom_Stereo_Count	0
342570	Defined_Atom_Stereo_Count	0
25162926	Non-hydrogen_Atom_Count	43
73278	Hydrogen_Bond_Acceptor_Count	3
124316	Defined_Bond_Stereo_Count	0
154561905	Total_Formal_Charge	0
101	Exact_Mass	122.036779430
123451	Covalent_Unit_Count	1
159384	Rotatable_Bond_Count	0
5702214	Undefined_Bond_Stereo_Count	0
9828626	Total_Formal_Charge	0
103565751	XLogP3-AA	0
71541098	Defined_Bond_Stereo_Count	0
11546620	Covalent_Unit_Count	1
6919	Undefined_Atom_Stereo_Count	0
156963726	Isotope_Atom_Count	0
87280025	Total_Formal_Charge	0
45120378	Undefined_Bond_Stereo_Count	0
15620	Rotatable_Bond_Count	4
54715668	Defined_Bond_Stereo_Count	0
153884978	Rotatable_Bond_Count	2
88267	Defined_Atom_Stereo_Count	0
475825	Structure_Complexity	816
4676	Isotope_Atom_Count	0
107949	Total_Formal_Charge	0
16218740	Covalent_Unit_Count	1
135399594	TPSA	245
12628168	Mono_Isotopic_Weight	112.088815002
72200674	Covalent_Unit_Count	1
131720661	Non-hydrogen_Atom_Count	16
12888376	Hydrogen_Bond_Donor_Count	0
82406	Undefined_Atom_Stereo_Count	0
53393583	Undefined_Bond_Stereo_Count	0
4175	Hydrogen_Bond_Acceptor_Count	4
4885	Tautomer_Count	2
148821664	Covalent_Unit_Count	1
1549000	Structure_Complexity	443
57681561	Exact_Mass	393.21781779
443404	Rotatable_Bond_Count	0
11957535	Undefined_Bond_Stereo_Count	0
45456	Undefined_Bond_Stereo_Count	0
53846424	TPSA	60.7
7939	Hydrogen_Bond_Donor_Count	1
6918242	Defined_Bond_Stereo_Count	0
116025273	Total_Formal_Charge	0
3766139	Exact_Mass	350.199428076
165600653	Defined_Bond_Stereo_Count	0
2735045	Undefined_Atom_Stereo_Count	0
518760	XLogP3-AA	2.5
13082758	Hydrogen_Bond_Donor_Count	0
643941	TPSA	17.1
12394845	Defined_Bond_Stereo_Count	0
82412	Exact_Mass	186.08920892
59983745	Covalent_Unit_Count	1
70520512	Covalent_Unit_Count	1
44462219	Structure_Complexity	338
58919855	Defined_Bond_Stereo_Count	0
56929	Isotope_Atom_Count	0
62823	TPSA	55
5702220	Defined_Atom_Stereo_Count	0
86230	Hydrogen_Bond_Donor_Count	2
17753867	Hydrogen_Bond_Donor_Count	1
6469	Defined_Bond_Stereo_Count	0
66320	Defined_Bond_Stereo_Count	0
118797621	Rotatable_Bond_Count	1
7098664	Defined_Atom_Stereo_Count	5
9826520	Covalent_Unit_Count	1
12256	Total_Formal_Charge	0
64361	Structure_Complexity	460
10130120	Hydrogen_Bond_Donor_Count	2
645691	Covalent_Unit_Count	1
545831	Covalent_Unit_Count	1
74411	Undefined_Atom_Stereo_Count	0
23465022	Structure_Complexity	129
137228068	Isotope_Atom_Count	0
410914	XLogP3-AA	3.5
83247	Defined_Bond_Stereo_Count	0
76356	Hydrogen_Bond_Donor_Count	1
70696850	Exact_Mass	452.14601035
8368	Isotope_Atom_Count	0
439476	Covalent_Unit_Count	1
14268486	Structure_Complexity	90.6
22660626	Rotatable_Bond_Count	0
97842	Isotope_Atom_Count	0
6447131	Molecular_Weight	810.4
132278715	Rotatable_Bond_Count	3
564864	Rotatable_Bond_Count	2
19743370	Undefined_Bond_Stereo_Count	0
13408099	Exact_Mass	261.0556563
82261	Molecular_Weight	212.74
638144	Mono_Isotopic_Weight	172.07355886
12456	Rotatable_Bond_Count	2
7169	Molecular_Weight	198.22
6437371	Hydrogen_Bond_Donor_Count	0
94973	Molecular_Weight	110.11
31472	Rotatable_Bond_Count	13
133655777	Total_Formal_Charge	0
14494974	Defined_Bond_Stereo_Count	0
166581	Isotope_Atom_Count	0
9403	Undefined_Bond_Stereo_Count	0
57390868	Total_Formal_Charge	0
5391612	Molecular_Weight	299.28
12931852	Molecular_Weight	82.10
23368	Isotope_Atom_Count	0
119084740	Undefined_Atom_Stereo_Count	0
159326	XLogP3-AA	4.3
11890	Undefined_Atom_Stereo_Count	0
317053	Rotatable_Bond_Count	0
73801102	Non-hydrogen_Atom_Count	7
14532111	Non-hydrogen_Atom_Count	7
2798	Total_Formal_Charge	1
71191	Total_Formal_Charge	0
3035569	Structure_Complexity	175
9989023	Isotope_Atom_Count	0
49798507	Mono_Isotopic_Weight	418.17533859
57239380	Covalent_Unit_Count	1
35687	Tautomer_Count	1
97289	Mono_Isotopic_Weight	178.0185425
49766037	Mono_Isotopic_Weight	111.068413911
84148	Undefined_Bond_Stereo_Count	0
137782	Covalent_Unit_Count	1
98043897	Structure_Complexity	688
11159021	Molecular_Weight	383.6
21534	Hydrogen_Bond_Donor_Count	2
77749	Hydrogen_Bond_Donor_Count	0
16682953	Isotope_Atom_Count	0
7778	Tautomer_Count	1
568334	Hydrogen_Bond_Acceptor_Count	2
46936900	Total_Formal_Charge	0
67683363	Hydrogen_Bond_Donor_Count	4
565843	Defined_Bond_Stereo_Count	0
10184774	Hydrogen_Bond_Acceptor_Count	6
22095542	Undefined_Atom_Stereo_Count	1
79013	Hydrogen_Bond_Acceptor_Count	2
10141893	Structure_Complexity	613
92131818	Undefined_Bond_Stereo_Count	0
547096	Hydrogen_Bond_Acceptor_Count	1
712377	Exact_Mass	151.00918496
12551763	Isotope_Atom_Count	0
8764	TPSA	35.2
100930731	Total_Formal_Charge	0
134694395	Undefined_Atom_Stereo_Count	3
44246477	Defined_Bond_Stereo_Count	0
129692694	Hydrogen_Bond_Acceptor_Count	1
75282141	Rotatable_Bond_Count	4
3738	Isotope_Atom_Count	0
23385063	Non-hydrogen_Atom_Count	8
73364	Structure_Complexity	434
69558	Defined_Atom_Stereo_Count	0
254129	Rotatable_Bond_Count	2
2734819	Undefined_Atom_Stereo_Count	0
688272	Total_Formal_Charge	0
14452005	Defined_Bond_Stereo_Count	0
72683639	Mono_Isotopic_Weight	631.2692103
61290	TPSA	26.3
57031137	Rotatable_Bond_Count	0
67781	Rotatable_Bond_Count	0
3696	Non-hydrogen_Atom_Count	21
6098	Undefined_Bond_Stereo_Count	0
124744580	Undefined_Atom_Stereo_Count	0
18776	Total_Formal_Charge	0
3402	Covalent_Unit_Count	1
5560	Defined_Bond_Stereo_Count	0
65866	XLogP3	6.9
12278591	TPSA	3.2
148189	Isotope_Atom_Count	0
124080868	Defined_Atom_Stereo_Count	7
118142807	Exact_Mass	126.042927438
67451737	Defined_Atom_Stereo_Count	0
54466147	Defined_Atom_Stereo_Count	0
75472	Molecular_Weight	171.28
11499245	Exact_Mass	152.0444878
16052038	Defined_Atom_Stereo_Count	9
3084250	Total_Formal_Charge	0
16051584	Rotatable_Bond_Count	6
14926954	Mono_Isotopic_Weight	119.058243149
54418364	Total_Formal_Charge	0
60529	Structure_Complexity	301
52893	Hydrogen_Bond_Acceptor_Count	2
443873	Hydrogen_Bond_Donor_Count	3
10161381	Covalent_Unit_Count	1
550922	Exact_Mass	98.073164938
61453	Defined_Bond_Stereo_Count	0
6434253	Structure_Complexity	688
447865	TPSA	125
12210211	Defined_Bond_Stereo_Count	0
76224463	TPSA	65
137706167	Hydrogen_Bond_Acceptor_Count	16
132575067	Isotope_Atom_Count	0
22751786	Structure_Complexity	131
123603692	Non-hydrogen_Atom_Count	8
6533629	Mono_Isotopic_Weight	383.03581088
455799	Non-hydrogen_Atom_Count	43
45711	Mono_Isotopic_Weight	397.204179104
11389356	Hydrogen_Bond_Donor_Count	0
81261	Rotatable_Bond_Count	2
71485	Defined_Atom_Stereo_Count	9
12672856	Undefined_Bond_Stereo_Count	0
37207	Tautomer_Count	1
145707274	Isotope_Atom_Count	0
57452847	Undefined_Bond_Stereo_Count	0
44229138	TPSA	77.3
135504571	Tautomer_Count	25
16130199	Mono_Isotopic_Weight	4489.1866445
6096207	Isotope_Atom_Count	0
9953630	Hydrogen_Bond_Acceptor_Count	9
123628273	Undefined_Atom_Stereo_Count	0
16219160	Undefined_Bond_Stereo_Count	0
12561970	Total_Formal_Charge	0
16685	Non-hydrogen_Atom_Count	17
13388558	Mono_Isotopic_Weight	310.0212875
15671	Isotope_Atom_Count	0
19186	Hydrogen_Bond_Donor_Count	1
38102	Total_Formal_Charge	0
138403272	Rotatable_Bond_Count	3
6950273	Rotatable_Bond_Count	2
721	Total_Formal_Charge	0
446113	Total_Formal_Charge	0
8285	Isotope_Atom_Count	0
91657	Defined_Atom_Stereo_Count	0
54422079	Mono_Isotopic_Weight	112.027277375
11974020	Hydrogen_Bond_Acceptor_Count	8
94020	Rotatable_Bond_Count	2
33099	Isotope_Atom_Count	0
11240515	Hydrogen_Bond_Donor_Count	1
64973730	Hydrogen_Bond_Donor_Count	2
139079010	Covalent_Unit_Count	3
11441796	Structure_Complexity	575
9010	Non-hydrogen_Atom_Count	19
7045767	XLogP3-AA	0.4
18218196	Defined_Atom_Stereo_Count	0
101988841	Hydrogen_Bond_Acceptor_Count	0
32765	Rotatable_Bond_Count	4
104755	Covalent_Unit_Count	1
60196332	Undefined_Atom_Stereo_Count	0
42521	Non-hydrogen_Atom_Count	29
54761	Rotatable_Bond_Count	9
25021359	Hydrogen_Bond_Acceptor_Count	10
18343309	Exact_Mass	154.98366143
88558	Tautomer_Count	1
11180	Exact_Mass	350.143551
56673014	Hydrogen_Bond_Donor_Count	1
623849	Exact_Mass	290.130679813
79497	Defined_Bond_Stereo_Count	0
66027	Undefined_Atom_Stereo_Count	0
4680	Tautomer_Count	5
9847836	XLogP3-AA	6.3
2784	XLogP3-AA	3.3
449394	XLogP3-AA	2.5
5016	Rotatable_Bond_Count	3
3955	Isotope_Atom_Count	0
7428	Undefined_Atom_Stereo_Count	0
19987011	Structure_Complexity	125
55287849	Exact_Mass	99.068413911
136649217	Undefined_Bond_Stereo_Count	0
83996	TPSA	122
10402760	Total_Formal_Charge	0
17684448	Structure_Complexity	279
122074	Undefined_Atom_Stereo_Count	0
7251	Isotope_Atom_Count	0
79878	Hydrogen_Bond_Acceptor_Count	5
23678597	Total_Formal_Charge	0
46869955	Mono_Isotopic_Weight	409.14601278
101771	Hydrogen_Bond_Donor_Count	2
69480	Rotatable_Bond_Count	4
8390	Hydrogen_Bond_Donor_Count	1
12471321	Exact_Mass	111.104799419
22341583	Non-hydrogen_Atom_Count	27
49853967	Defined_Bond_Stereo_Count	0
2092	Defined_Bond_Stereo_Count	0
520769	Mono_Isotopic_Weight	112.01359920
566455	Mono_Isotopic_Weight	189.078978594
228864	Undefined_Bond_Stereo_Count	0
4477	Total_Formal_Charge	0
8367	Mono_Isotopic_Weight	188.131348519
11974	Undefined_Bond_Stereo_Count	0
27436	Undefined_Atom_Stereo_Count	0
192843	Covalent_Unit_Count	1
9954082	Tautomer_Count	2
59295969	Rotatable_Bond_Count	10
21031	Hydrogen_Bond_Donor_Count	0
13627693	XLogP3-AA	0.3
14612499	Defined_Atom_Stereo_Count	0
71829	Defined_Atom_Stereo_Count	0
80822	Mono_Isotopic_Weight	695.08851438
65667	Mono_Isotopic_Weight	577.32641949
734033	Hydrogen_Bond_Donor_Count	0
9854489	Mono_Isotopic_Weight	538.16369430
661093	Total_Formal_Charge	0
23891	XLogP3-AA	0.8
3084169	Exact_Mass	80.97415592
2735078	TPSA	29.5
616631	Exact_Mass	235.12084340
18506429	Isotope_Atom_Count	0
1899	Undefined_Bond_Stereo_Count	0
723	Rotatable_Bond_Count	2
19101063	Defined_Atom_Stereo_Count	0
3879	Isotope_Atom_Count	0
10299876	Defined_Atom_Stereo_Count	0
677105	Covalent_Unit_Count	1
522041	Covalent_Unit_Count	1
54525629	Undefined_Bond_Stereo_Count	0
5142	Hydrogen_Bond_Acceptor_Count	2
38963	Mono_Isotopic_Weight	392.1502850
13485108	Mono_Isotopic_Weight	112.088815002
4714721	Rotatable_Bond_Count	1
51371732	Undefined_Atom_Stereo_Count	0
20169	Mono_Isotopic_Weight	312.13615911
3033031	Defined_Atom_Stereo_Count	2
135052535	Hydrogen_Bond_Donor_Count	1
62558	Defined_Atom_Stereo_Count	0
12814873	Hydrogen_Bond_Acceptor_Count	5
274412	Covalent_Unit_Count	1
60795	Total_Formal_Charge	0
49652396	Total_Formal_Charge	0
44129647	Rotatable_Bond_Count	4
11865405	TPSA	45.5
72200849	XLogP3-AA	3.9
31170	Exact_Mass	145.8776408
23667568	TPSA	85.8
20579698	Hydrogen_Bond_Acceptor_Count	8
107917	Molecular_Weight	341.8
58233	Undefined_Atom_Stereo_Count	2
3036507	Hydrogen_Bond_Acceptor_Count	11
456389	Undefined_Atom_Stereo_Count	1
6611889	Non-hydrogen_Atom_Count	20
4630	Mono_Isotopic_Weight	206.141913202
72253	Defined_Bond_Stereo_Count	0
98148765	Exact_Mass	342.11621151
9653	Molecular_Weight	276.4
10329304	Defined_Bond_Stereo_Count	0
443716	Rotatable_Bond_Count	0
14135407	TPSA	37.3
39253	XLogP3	8.2
11578	Defined_Bond_Stereo_Count	0
49248	Total_Formal_Charge	0
8058	Molecular_Weight	86.18
15209	Covalent_Unit_Count	1
87280025	Structure_Complexity	96
16441	Hydrogen_Bond_Acceptor_Count	1
96381	Defined_Atom_Stereo_Count	0
60657	Tautomer_Count	2
6435993	Molecular_Weight	251.15
9949802	XLogP3-AA	4.8
58071	Non-hydrogen_Atom_Count	20
60810	Defined_Bond_Stereo_Count	0
85588	Undefined_Bond_Stereo_Count	0
158698	Non-hydrogen_Atom_Count	32
160440	Tautomer_Count	1
8991	Molecular_Weight	152.15
10979337	Mono_Isotopic_Weight	295.157228913
151115	Hydrogen_Bond_Acceptor_Count	7
25142700	Undefined_Atom_Stereo_Count	0
6918473	Molecular_Weight	1164.4
845646	Hydrogen_Bond_Donor_Count	1
135977933	Exact_Mass	280.001424
71420	Exact_Mass	512.1997337
16212610	Molecular_Weight	628.8
4538	Rotatable_Bond_Count	2
38019	Total_Formal_Charge	0
75690	Molecular_Weight	254.40
135431223	Molecular_Weight	256.68
441082	Molecular_Weight	356.6
15130827	Covalent_Unit_Count	1
90927	Total_Formal_Charge	0
5369209	Defined_Bond_Stereo_Count	1
125286694	Defined_Atom_Stereo_Count	19
6420118	Non-hydrogen_Atom_Count	21
5763	Molecular_Weight	347.9
129866213	Molecular_Weight	500.5
117190135	Defined_Atom_Stereo_Count	0
2322334	Total_Formal_Charge	0
21120209	Exact_Mass	222.0587557
105037	Covalent_Unit_Count	1
5360696	Defined_Atom_Stereo_Count	3
20767630	Total_Formal_Charge	0
816864	Rotatable_Bond_Count	7
3611397	Defined_Bond_Stereo_Count	0
11908450	Total_Formal_Charge	0
228864	Hydrogen_Bond_Acceptor_Count	2
21575	Isotope_Atom_Count	0
96238	Exact_Mass	124.088815002
14920523	Rotatable_Bond_Count	1
5650	Isotope_Atom_Count	0
6850729	Isotope_Atom_Count	0
29625	Defined_Bond_Stereo_Count	0
44630049	Hydrogen_Bond_Donor_Count	9
13526	Defined_Atom_Stereo_Count	0
53393583	Mono_Isotopic_Weight	361.875716
83287	TPSA	18.5
4952	Tautomer_Count	25
153996	Defined_Atom_Stereo_Count	1
642344	Hydrogen_Bond_Acceptor_Count	2
226205	Covalent_Unit_Count	1
139211202	Mono_Isotopic_Weight	679.44075943
10820489	Hydrogen_Bond_Acceptor_Count	1
5284429	Defined_Atom_Stereo_Count	0
10299876	Structure_Complexity	492
214356	Undefined_Bond_Stereo_Count	0
108005	Hydrogen_Bond_Acceptor_Count	9
28397	Hydrogen_Bond_Acceptor_Count	2
72038	XLogP3-AA	2.9
154257	Total_Formal_Charge	0
164912	Undefined_Atom_Stereo_Count	0
12907914	XLogP3-AA	5.8
42602260	Mono_Isotopic_Weight	428.1727518
66255	Covalent_Unit_Count	1
11510	Structure_Complexity	63.2
20656311	Isotope_Atom_Count	0
10664930	Total_Formal_Charge	0
3034047	Defined_Atom_Stereo_Count	2
540987	Mono_Isotopic_Weight	388.20971797
152801	TPSA	29.1
87984	Structure_Complexity	136
118360945	Hydrogen_Bond_Donor_Count	0
13607	Exact_Mass	114.104465066
819109	Total_Formal_Charge	0
5622	Hydrogen_Bond_Acceptor_Count	8
145720674	Rotatable_Bond_Count	7
11521169	Rotatable_Bond_Count	1
29083	Undefined_Bond_Stereo_Count	0
17168	Non-hydrogen_Atom_Count	17
63255	Hydrogen_Bond_Donor_Count	1
25199807	Covalent_Unit_Count	3
634760	TPSA	60.7
11499271	Exact_Mass	162.0559907
11111992	Molecular_Weight	393.5
17877642	Defined_Atom_Stereo_Count	0
135539077	Rotatable_Bond_Count	7
9795	Structure_Complexity	199
2724368	Molecular_Weight	175.12
22033763	Defined_Bond_Stereo_Count	0
5470	Structure_Complexity	636
16008685	Hydrogen_Bond_Acceptor_Count	5
90771502	Undefined_Atom_Stereo_Count	0
179334	TPSA	60.9
396680	Covalent_Unit_Count	1
4659387	Hydrogen_Bond_Donor_Count	2
24971342	Isotope_Atom_Count	0
88740	Undefined_Atom_Stereo_Count	0
450598	Defined_Atom_Stereo_Count	0
112	Mono_Isotopic_Weight	212.98002914
45934310	Defined_Atom_Stereo_Count	4
41264	Exact_Mass	416.07356
6436158	Undefined_Bond_Stereo_Count	0
14874099	Molecular_Weight	116.16
45199	Hydrogen_Bond_Acceptor_Count	5
5281521	Hydrogen_Bond_Acceptor_Count	1
102148036	Hydrogen_Bond_Donor_Count	2
193994	TPSA	33.6
67247849	Structure_Complexity	611
98323	XLogP3-AA	0.8
688474	Defined_Atom_Stereo_Count	1
524829	Defined_Bond_Stereo_Count	0
97297	TPSA	127
127382	Total_Formal_Charge	0
170833	XLogP3-AA	3
688093	Non-hydrogen_Atom_Count	13
60196420	Rotatable_Bond_Count	0
142775	Non-hydrogen_Atom_Count	20
4460493	Rotatable_Bond_Count	0
31099	Tautomer_Count	2
74062	Rotatable_Bond_Count	0
64627	Structure_Complexity	609
128605	Undefined_Atom_Stereo_Count	0
9351	Non-hydrogen_Atom_Count	13
13795047	Isotope_Atom_Count	0
5861	Covalent_Unit_Count	1
79877	Undefined_Bond_Stereo_Count	0
45116684	Rotatable_Bond_Count	1
115107	Hydrogen_Bond_Donor_Count	1
22754947	Defined_Atom_Stereo_Count	0
13250495	Undefined_Bond_Stereo_Count	0
135484551	Total_Formal_Charge	0
3389	Defined_Atom_Stereo_Count	0
108051	TPSA	26.7
163548545	Exact_Mass	112.052429494
54006055	Undefined_Bond_Stereo_Count	0
4278369	Covalent_Unit_Count	1
54605723	Rotatable_Bond_Count	4
73114967	Non-hydrogen_Atom_Count	8
115212	Non-hydrogen_Atom_Count	38
68503813	Undefined_Bond_Stereo_Count	0
23725080	Defined_Atom_Stereo_Count	5
60962	Hydrogen_Bond_Donor_Count	3
43454	Structure_Complexity	365
19994812	Hydrogen_Bond_Acceptor_Count	3
19186	Covalent_Unit_Count	1
67122	TPSA	77.3
21940933	Molecular_Weight	606.1
12971	Undefined_Atom_Stereo_Count	1
5282822	Total_Formal_Charge	0
9958	Defined_Bond_Stereo_Count	0
36613	TPSA	18.5
10288822	Hydrogen_Bond_Acceptor_Count	5
5280608	Exact_Mass	175.9876363
6246	Hydrogen_Bond_Donor_Count	4
23279304	TPSA	39.9
4765	Defined_Bond_Stereo_Count	0
5189	XLogP3-AA	3.2
12744661	Hydrogen_Bond_Acceptor_Count	1
17513	Isotope_Atom_Count	0
10257	Structure_Complexity	208
23688907	Defined_Bond_Stereo_Count	0
88261	Mono_Isotopic_Weight	230.224580195
14689526	Structure_Complexity	130
6537493	Isotope_Atom_Count	0
130124330	Exact_Mass	113.047678466
73513	Total_Formal_Charge	0
10113430	XLogP3-AA	4.5
19695800	XLogP3-AA	0.3
12193653	Isotope_Atom_Count	1
57829	Isotope_Atom_Count	0
16048558	Undefined_Bond_Stereo_Count	0
20105	Mono_Isotopic_Weight	255.15176686
49866505	Isotope_Atom_Count	0
558	Undefined_Atom_Stereo_Count	0
17358	Non-hydrogen_Atom_Count	7
17940308	Molecular_Weight	102.13
68313	Molecular_Weight	165.23
135	Tautomer_Count	8
57734486	Molecular_Weight	357.4
68841	Hydrogen_Bond_Donor_Count	4
6669	Molecular_Weight	294.30
89951991	Covalent_Unit_Count	1
20172	Exact_Mass	467.96739619
497803	Defined_Bond_Stereo_Count	0
54272739	Mono_Isotopic_Weight	86.084398327
9865442	Covalent_Unit_Count	1
9879368	Tautomer_Count	1
74089	Undefined_Bond_Stereo_Count	0
16008685	Molecular_Weight	353.4
7261	XLogP3	0.1
154342062	Structure_Complexity	121
89119	Rotatable_Bond_Count	3
9855455	Total_Formal_Charge	0
6321412	Undefined_Bond_Stereo_Count	0
572852	Hydrogen_Bond_Donor_Count	1
24815434	Undefined_Atom_Stereo_Count	0
59704271	Mono_Isotopic_Weight	1201.84136802
25164075	Mono_Isotopic_Weight	382.02932852
60196409	Isotope_Atom_Count	0
4374	Molecular_Weight	179.26
4403	Molecular_Weight	361.25
31233	Total_Formal_Charge	0
10781	Structure_Complexity	274
88578918	Molecular_Weight	101.15
68703149	Defined_Bond_Stereo_Count	0
61631	Non-hydrogen_Atom_Count	12
122372096	Undefined_Bond_Stereo_Count	0
596705	Total_Formal_Charge	0
9864881	Defined_Bond_Stereo_Count	1
71718453	Non-hydrogen_Atom_Count	23
44864	Rotatable_Bond_Count	5
360129	Covalent_Unit_Count	1
16212950	Covalent_Unit_Count	1
94310	Tautomer_Count	1
60155182	Structure_Complexity	676
123668737	Exact_Mass	114.042927438
642100	Covalent_Unit_Count	1
12375133	Covalent_Unit_Count	1
50989726	Structure_Complexity	90.2
4385787	Undefined_Bond_Stereo_Count	0
45488106	Isotope_Atom_Count	0
142107	TPSA	20.2
13757963	Rotatable_Bond_Count	0
62235132	Rotatable_Bond_Count	2
52943923	Defined_Bond_Stereo_Count	0
9811353	Hydrogen_Bond_Donor_Count	10
22385729	Hydrogen_Bond_Donor_Count	2
6049	Structure_Complexity	316
25203302	Covalent_Unit_Count	1
72104	Rotatable_Bond_Count	1
13086	Defined_Atom_Stereo_Count	0
10134310	Isotope_Atom_Count	0
10964334	Defined_Bond_Stereo_Count	4
9470	XLogP3-AA	2
6992023	Exact_Mass	230.0557106
11344909	Undefined_Atom_Stereo_Count	0
12444324	Undefined_Atom_Stereo_Count	0
31899	Hydrogen_Bond_Acceptor_Count	3
71343993	Defined_Bond_Stereo_Count	0
13404	Mono_Isotopic_Weight	173.9639201
33733	Exact_Mass	426.37091007
57390700	TPSA	156
2733487	Hydrogen_Bond_Donor_Count	8
44190035	Isotope_Atom_Count	0
5462355	Total_Formal_Charge	0
10722	Undefined_Atom_Stereo_Count	0
23661960	Molecular_Weight	160.21
53326398	Undefined_Bond_Stereo_Count	0
54687420	Defined_Atom_Stereo_Count	0
578771	Defined_Atom_Stereo_Count	0
12502754	Isotope_Atom_Count	0
11185559	Defined_Atom_Stereo_Count	0
165754425	Covalent_Unit_Count	1
44348524	Mono_Isotopic_Weight	416.32904526
1133320	Hydrogen_Bond_Acceptor_Count	7
520217	Mono_Isotopic_Weight	299.07061935
12607503	Molecular_Weight	96.13
8133	Undefined_Atom_Stereo_Count	0
22932	Defined_Atom_Stereo_Count	0
7210	Non-hydrogen_Atom_Count	21
5360621	Mono_Isotopic_Weight	461.16858144
9832383	Defined_Atom_Stereo_Count	2
5257127	Defined_Bond_Stereo_Count	0
142647132	Defined_Bond_Stereo_Count	0
546482	Covalent_Unit_Count	1
54682505	Total_Formal_Charge	0
10866	Hydrogen_Bond_Donor_Count	0
6436148	Total_Formal_Charge	0
57992030	Rotatable_Bond_Count	5
107802	Covalent_Unit_Count	1
4739	Structure_Complexity	356
33443	Non-hydrogen_Atom_Count	16
3675	Molecular_Weight	136.19
87569740	Undefined_Atom_Stereo_Count	0
137700140	TPSA	78.5
121843	Undefined_Atom_Stereo_Count	0
117476	Hydrogen_Bond_Acceptor_Count	2
23365036	Covalent_Unit_Count	1
5282483	Exact_Mass	506.1173245
8029	Undefined_Atom_Stereo_Count	0
71900	Covalent_Unit_Count	1
133562634	Undefined_Atom_Stereo_Count	0
60196441	Total_Formal_Charge	0
70682733	Undefined_Atom_Stereo_Count	0
92765	Tautomer_Count	1
565106	Structure_Complexity	173
57249770	TPSA	54.4
1082	Hydrogen_Bond_Acceptor_Count	9
591200	Non-hydrogen_Atom_Count	26
440707	Exact_Mass	346.21440943
6097621	Undefined_Bond_Stereo_Count	0
11170934	Molecular_Weight	108.14
96354	Defined_Bond_Stereo_Count	0
5164	Isotope_Atom_Count	0
9915743	Isotope_Atom_Count	0
2762816	Defined_Atom_Stereo_Count	0
10307850	Defined_Atom_Stereo_Count	0
599202	Exact_Mass	173.084063974
5281082	Mono_Isotopic_Weight	643.21996556
4677	Covalent_Unit_Count	1
21325324	TPSA	23.2
3167	Hydrogen_Bond_Donor_Count	1
49389	Exact_Mass	273.0556563
20503	Isotope_Atom_Count	0
83146	Hydrogen_Bond_Acceptor_Count	2
19985227	Isotope_Atom_Count	0
123995	Defined_Atom_Stereo_Count	0
60154331	Defined_Bond_Stereo_Count	0
28693	Undefined_Atom_Stereo_Count	0
53373584	Mono_Isotopic_Weight	837.49281610
121444434	Molecular_Weight	109.17
69860	Exact_Mass	156.05349212
76693	XLogP3-AA	4.5
911106	Hydrogen_Bond_Donor_Count	1
56841934	Defined_Bond_Stereo_Count	0
55790	TPSA	34.5
54693468	Covalent_Unit_Count	3
189563	Molecular_Weight	405.4
144161560	Rotatable_Bond_Count	1
223441	Hydrogen_Bond_Donor_Count	1
164563	Isotope_Atom_Count	0
9957217	Structure_Complexity	629
10163178	Structure_Complexity	702
710762	Hydrogen_Bond_Acceptor_Count	3
54706667	TPSA	80.6
439286	Tautomer_Count	2
102504	Hydrogen_Bond_Donor_Count	2
15689	Undefined_Bond_Stereo_Count	0
55300028	Non-hydrogen_Atom_Count	8
5364711	Molecular_Weight	282.5
44455404	Hydrogen_Bond_Donor_Count	3
643447	Covalent_Unit_Count	1
10971	Structure_Complexity	165
116706	Rotatable_Bond_Count	11
31337	Undefined_Atom_Stereo_Count	0
4667	Hydrogen_Bond_Donor_Count	2
54045	Undefined_Atom_Stereo_Count	0
76487	Hydrogen_Bond_Acceptor_Count	5
5941539	Molecular_Weight	390.5
6918293	Isotope_Atom_Count	0
11957468	Structure_Complexity	805
5279171	TPSA	82.6
18924	Molecular_Weight	419.0
14791281	Defined_Bond_Stereo_Count	0
87151235	Covalent_Unit_Count	1
100957201	Total_Formal_Charge	0
625469	Hydrogen_Bond_Acceptor_Count	9
16213095	Covalent_Unit_Count	2
132236745	Covalent_Unit_Count	1
45027815	Covalent_Unit_Count	1
58291777	Total_Formal_Charge	0
35120	XLogP3-AA	5.6
109325	Exact_Mass	221.9753576
70678590	Molecular_Weight	1355.4
23210737	Hydrogen_Bond_Acceptor_Count	3
17693	Undefined_Atom_Stereo_Count	0
5595	TPSA	45.3
972025	Defined_Atom_Stereo_Count	0
1214	Rotatable_Bond_Count	2
22020033	XLogP3-AA	0.6
5773	Hydrogen_Bond_Acceptor_Count	6
82095	Rotatable_Bond_Count	0
60196333	Undefined_Atom_Stereo_Count	0
13195	Undefined_Bond_Stereo_Count	0
71137	Undefined_Bond_Stereo_Count	0
71587119	Structure_Complexity	165
6323236	Structure_Complexity	1530
71455217	Isotope_Atom_Count	0
91770	Total_Formal_Charge	0
559009	Exact_Mass	100.088815002
72741173	TPSA	20.2
62858	Defined_Atom_Stereo_Count	2
135445750	Non-hydrogen_Atom_Count	21
23409	Undefined_Atom_Stereo_Count	0
21028424	Defined_Bond_Stereo_Count	0
5743396	Defined_Bond_Stereo_Count	0
6814	Rotatable_Bond_Count	3
59819	Undefined_Atom_Stereo_Count	1
16536	Structure_Complexity	179
11625425	XLogP3-AA	3.4
11128	Exact_Mass	247.10558726
71336	Exact_Mass	436.26269704
413457	Hydrogen_Bond_Donor_Count	3
72474	Structure_Complexity	636
55255285	Undefined_Bond_Stereo_Count	0
40030	Undefined_Atom_Stereo_Count	0
7406	Undefined_Bond_Stereo_Count	0
354785	Hydrogen_Bond_Donor_Count	0
55285488	Isotope_Atom_Count	0
16760227	Isotope_Atom_Count	0
32241	Hydrogen_Bond_Acceptor_Count	0
519112	Exact_Mass	600.14924298
68321837	Exact_Mass	387.1149827
46936772	Non-hydrogen_Atom_Count	42
2757950	Defined_Bond_Stereo_Count	0
6424	Covalent_Unit_Count	1
49865973	XLogP3-AA	2.7
5460284	Hydrogen_Bond_Acceptor_Count	6
134693315	XLogP3	1.4
101071970	Hydrogen_Bond_Acceptor_Count	0
9648	Defined_Atom_Stereo_Count	0
139062652	Covalent_Unit_Count	7
18506394	Total_Formal_Charge	0
9908306	Undefined_Bond_Stereo_Count	0
10833	TPSA	83.6
4130	Undefined_Atom_Stereo_Count	0
94292	Hydrogen_Bond_Donor_Count	1
56841980	Covalent_Unit_Count	2
135435111	Defined_Atom_Stereo_Count	4
12993402	Exact_Mass	252.208930132
139024271	Defined_Bond_Stereo_Count	0
21359	Isotope_Atom_Count	0
17208	Isotope_Atom_Count	0
3035187	Hydrogen_Bond_Acceptor_Count	5
58969552	Hydrogen_Bond_Acceptor_Count	6
626607	XLogP3-AA	3.1
105031	Structure_Complexity	623
520660	Non-hydrogen_Atom_Count	7
663	Structure_Complexity	130
139194519	Non-hydrogen_Atom_Count	32
20727813	Mono_Isotopic_Weight	80.062600255
130038395	Mono_Isotopic_Weight	124.02483259
77544	Rotatable_Bond_Count	4
635186	Covalent_Unit_Count	1
450601	Hydrogen_Bond_Acceptor_Count	4
48080	Molecular_Weight	419.9
93577	Hydrogen_Bond_Acceptor_Count	8
8559	Defined_Bond_Stereo_Count	0
8225	Undefined_Atom_Stereo_Count	0
124707323	Hydrogen_Bond_Donor_Count	0
2723622	Undefined_Bond_Stereo_Count	0
67656913	TPSA	20.2
81451	Covalent_Unit_Count	1
164116	Structure_Complexity	358
676399	Rotatable_Bond_Count	5
8166	Undefined_Bond_Stereo_Count	0
70721	Non-hydrogen_Atom_Count	8
6948	Defined_Atom_Stereo_Count	0
54678431	Non-hydrogen_Atom_Count	29
442021	TPSA	51.2
548282	Total_Formal_Charge	0
84036	Structure_Complexity	1510
11115809	Undefined_Bond_Stereo_Count	0
446094	Total_Formal_Charge	0
141354627	TPSA	59.4
13702292	Hydrogen_Bond_Donor_Count	0
99721706	Covalent_Unit_Count	1
14081	Defined_Atom_Stereo_Count	0
19070	Hydrogen_Bond_Donor_Count	3
61789	TPSA	184
92089	Molecular_Weight	349.4
72098	Defined_Bond_Stereo_Count	0
11961423	Hydrogen_Bond_Acceptor_Count	2
6494	Total_Formal_Charge	0
53731118	Covalent_Unit_Count	1
71449750	Defined_Bond_Stereo_Count	0
21872496	Defined_Bond_Stereo_Count	0
209257	XLogP3-AA	0.4
85989631	Non-hydrogen_Atom_Count	7
549294	Covalent_Unit_Count	1
522002	Undefined_Bond_Stereo_Count	0
17778411	Undefined_Bond_Stereo_Count	0
9936727	Non-hydrogen_Atom_Count	37
33629	Total_Formal_Charge	0
444031	Mono_Isotopic_Weight	426.230728204
3842125	Hydrogen_Bond_Donor_Count	2
66219	Hydrogen_Bond_Donor_Count	8
60196261	Non-hydrogen_Atom_Count	24
91739	Mono_Isotopic_Weight	240.9697338
12510929	Rotatable_Bond_Count	0
25244372	Rotatable_Bond_Count	6
3000226	Total_Formal_Charge	0
24838347	Isotope_Atom_Count	0
13170	TPSA	226
10479060	Structure_Complexity	709
21599	Undefined_Atom_Stereo_Count	0
15830	Molecular_Weight	139.15
14010333	Defined_Atom_Stereo_Count	0
104775	Isotope_Atom_Count	0
6438895	Hydrogen_Bond_Donor_Count	3
56955185	Mono_Isotopic_Weight	351.173547683
69932654	Defined_Bond_Stereo_Count	0
133698931	Molecular_Weight	1672.9
72257	Defined_Bond_Stereo_Count	0
13685820	Total_Formal_Charge	0
9874175	Defined_Atom_Stereo_Count	1
54125476	Rotatable_Bond_Count	4
9183	Isotope_Atom_Count	0
176864	Defined_Bond_Stereo_Count	0
123337583	Undefined_Atom_Stereo_Count	0
71457270	Mono_Isotopic_Weight	553.2343490
63992	Defined_Atom_Stereo_Count	0
15950086	Exact_Mass	396.15101554
4369188	Structure_Complexity	1200
92	Isotope_Atom_Count	0
14017	Tautomer_Count	1
146487258	Exact_Mass	116.083729621
10345790	Non-hydrogen_Atom_Count	32
6057875	Mono_Isotopic_Weight	665.30474055
3622	Exact_Mass	290.17561863
6537197	Tautomer_Count	2
6749	Total_Formal_Charge	0
699	Undefined_Atom_Stereo_Count	4
56963011	Non-hydrogen_Atom_Count	39
729	Total_Formal_Charge	0
4168142	Isotope_Atom_Count	0
102242	Tautomer_Count	2
29075	Hydrogen_Bond_Donor_Count	0
5353897	Defined_Bond_Stereo_Count	1
92395	Defined_Atom_Stereo_Count	0
30690	Total_Formal_Charge	0
15174590	Non-hydrogen_Atom_Count	8
156882	Rotatable_Bond_Count	5
34303	Mono_Isotopic_Weight	234.198365449
9653	Non-hydrogen_Atom_Count	19
55263	Molecular_Weight	217.22
163722493	Defined_Atom_Stereo_Count	0
130169	Isotope_Atom_Count	0
78225435	Defined_Atom_Stereo_Count	3
139291782	Defined_Bond_Stereo_Count	0
12401	Undefined_Atom_Stereo_Count	0
119242	Total_Formal_Charge	0
18636	Molecular_Weight	459.7
5289501	Molecular_Weight	348.5
86739056	Mono_Isotopic_Weight	346.0100290
537092	Mono_Isotopic_Weight	132.115029749
16760265	Molecular_Weight	536.2
61393223	Mono_Isotopic_Weight	112.063662883
18628727	Mono_Isotopic_Weight	103.026943022
44404657	Rotatable_Bond_Count	11
14336	Exact_Mass	243.98876
6914273	Exact_Mass	314.06511943
1512518	Rotatable_Bond_Count	0
15188270	TPSA	12
5826	Hydrogen_Bond_Donor_Count	1
53326698	Defined_Bond_Stereo_Count	0
87428	Non-hydrogen_Atom_Count	15
35763	Non-hydrogen_Atom_Count	11
1964	Defined_Bond_Stereo_Count	0
444212	Defined_Atom_Stereo_Count	0
78012803	Defined_Bond_Stereo_Count	0
54307258	Non-hydrogen_Atom_Count	7
60710317	XLogP3-AA	0.1
62504	Mono_Isotopic_Weight	339.18344366
134070	Molecular_Weight	416.6
9913767	Undefined_Bond_Stereo_Count	0
720493	Hydrogen_Bond_Acceptor_Count	3
11735999	Hydrogen_Bond_Donor_Count	2
45488104	Undefined_Atom_Stereo_Count	0
12248932	Molecular_Weight	115.13
9852981	Hydrogen_Bond_Donor_Count	4
19860177	Molecular_Weight	99.13
67105	Molecular_Weight	116.20
448702	Defined_Bond_Stereo_Count	0
63002	Molecular_Weight	538.1
135742	Undefined_Bond_Stereo_Count	0
8978	Hydrogen_Bond_Donor_Count	0
53673	Exact_Mass	194.01499861
95125	TPSA	67.4
4095	Defined_Bond_Stereo_Count	0
564751	Molecular_Weight	231.33
17803614	Total_Formal_Charge	0
92174	Total_Formal_Charge	0
89027474	Hydrogen_Bond_Donor_Count	0
22944534	Hydrogen_Bond_Donor_Count	0
5287541	Hydrogen_Bond_Acceptor_Count	6
72200940	Structure_Complexity	745
71342117	XLogP3-AA	1.1
11502188	XLogP3-AA	3.3
33363	TPSA	21.6
29138	TPSA	84.8
21979976	Rotatable_Bond_Count	1
7469	Hydrogen_Bond_Donor_Count	1
18639728	Molecular_Weight	154.25
5282492	XLogP3	3.9
739	Exact_Mass	179.07937252
472812	Isotope_Atom_Count	0
128919	Mono_Isotopic_Weight	381.17043419
616631	Hydrogen_Bond_Donor_Count	0
5352426	Defined_Bond_Stereo_Count	0
69132	Defined_Atom_Stereo_Count	0
7764	Covalent_Unit_Count	1
70702001	Isotope_Atom_Count	0
57357013	Tautomer_Count	1
129627774	Exact_Mass	1033.54575866
2724123	Mono_Isotopic_Weight	111.068413911
13529	Covalent_Unit_Count	1
8534	Defined_Atom_Stereo_Count	0
66586067	Isotope_Atom_Count	0
11867	Rotatable_Bond_Count	1
71457293	Exact_Mass	469.1404486
21798491	Undefined_Atom_Stereo_Count	2
4059	Non-hydrogen_Atom_Count	13
25023856	TPSA	87.5
1921	Undefined_Bond_Stereo_Count	0
90431674	Defined_Bond_Stereo_Count	0
596237	Undefined_Bond_Stereo_Count	0
67123	Rotatable_Bond_Count	13
392622	Defined_Bond_Stereo_Count	0
11517020	Undefined_Bond_Stereo_Count	0
12349471	Undefined_Bond_Stereo_Count	0
9029	Defined_Bond_Stereo_Count	0
58679341	Mono_Isotopic_Weight	113.084063974
22380788	Exact_Mass	111.032028402
154522078	Defined_Bond_Stereo_Count	0
25058411	Total_Formal_Charge	0
577022	Hydrogen_Bond_Donor_Count	1
4390	Hydrogen_Bond_Acceptor_Count	1
46485	Hydrogen_Bond_Donor_Count	2
11983869	Covalent_Unit_Count	1
54698175	Hydrogen_Bond_Donor_Count	1
6420050	TPSA	80.6
90441318	Covalent_Unit_Count	1
674572	Defined_Bond_Stereo_Count	0
24848413	TPSA	475
46906435	XLogP3-AA	5.9
44558536	Defined_Bond_Stereo_Count	0
441415	Undefined_Bond_Stereo_Count	0
44392124	Isotope_Atom_Count	0
86015488	Non-hydrogen_Atom_Count	8
208922	XLogP3-AA	4
9953272	Structure_Complexity	546
18410302	Hydrogen_Bond_Acceptor_Count	3
15321731	Isotope_Atom_Count	0
59295925	Defined_Atom_Stereo_Count	1
16683008	Isotope_Atom_Count	0
163319916	TPSA	0
10229498	Isotope_Atom_Count	0
2654	Undefined_Bond_Stereo_Count	1
6054	Defined_Bond_Stereo_Count	0
32051	Hydrogen_Bond_Donor_Count	0
10129928	Undefined_Bond_Stereo_Count	0
11949652	Mono_Isotopic_Weight	426.22018078
11060054	Rotatable_Bond_Count	20
3032	Covalent_Unit_Count	1
64061	Covalent_Unit_Count	3
5281899	Total_Formal_Charge	0
89077	Undefined_Atom_Stereo_Count	0
56769	Hydrogen_Bond_Acceptor_Count	0
53489	Structure_Complexity	537
11556910	Tautomer_Count	2
18156	Defined_Atom_Stereo_Count	0
31640	Tautomer_Count	2
64968	Defined_Bond_Stereo_Count	0
5799	Mono_Isotopic_Weight	204.11234441
45157716	Hydrogen_Bond_Acceptor_Count	8
57558284	Non-hydrogen_Atom_Count	7
40973	Total_Formal_Charge	0
5367460	Undefined_Bond_Stereo_Count	0
81278	Hydrogen_Bond_Acceptor_Count	1
9482	Defined_Atom_Stereo_Count	0
1550884	Non-hydrogen_Atom_Count	16
702695	Defined_Bond_Stereo_Count	1
5281727	Defined_Bond_Stereo_Count	1
657055	Exact_Mass	180.06338810
47500	Undefined_Bond_Stereo_Count	0
55284044	Defined_Bond_Stereo_Count	0
66708587	Non-hydrogen_Atom_Count	10
123481823	Structure_Complexity	105
129696925	Covalent_Unit_Count	2
539829	Exact_Mass	222.08920892
71403949	Structure_Complexity	394
7019016	Defined_Atom_Stereo_Count	1
10377	XLogP3-AA	3.6
441285	Undefined_Atom_Stereo_Count	1
29976098	Isotope_Atom_Count	0
23681559	Tautomer_Count	6
37251	Undefined_Atom_Stereo_Count	0
691	Defined_Bond_Stereo_Count	0
54767916	Isotope_Atom_Count	0
53103	Defined_Bond_Stereo_Count	0
143647928	Undefined_Atom_Stereo_Count	0
36688209	Hydrogen_Bond_Acceptor_Count	4
89493247	Structure_Complexity	104
12572502	Undefined_Bond_Stereo_Count	0
893322	TPSA	92.9
142739236	Isotope_Atom_Count	0
119346	Hydrogen_Bond_Acceptor_Count	1
23305129	Rotatable_Bond_Count	13
673820	Defined_Bond_Stereo_Count	0
188987	Defined_Atom_Stereo_Count	0
12200171	Covalent_Unit_Count	1
548185	Mono_Isotopic_Weight	139.03031432
6426924	Rotatable_Bond_Count	9
160796	Defined_Atom_Stereo_Count	0
20147457	Rotatable_Bond_Count	0
8837	TPSA	71.1
3085219	Rotatable_Bond_Count	0
25137911	Hydrogen_Bond_Donor_Count	0
7656	Covalent_Unit_Count	1
448662	Rotatable_Bond_Count	9
6099917	Non-hydrogen_Atom_Count	12
11332503	Non-hydrogen_Atom_Count	10
68845	Rotatable_Bond_Count	5
79303108	Undefined_Atom_Stereo_Count	0
1647	Mono_Isotopic_Weight	70.053098200
68595	Exact_Mass	933.56610018
25644	Defined_Atom_Stereo_Count	0
11830	Hydrogen_Bond_Acceptor_Count	3
96029	Molecular_Weight	175.14
24848261	Hydrogen_Bond_Acceptor_Count	4
193956	Isotope_Atom_Count	0
5459792	TPSA	101
53766125	Isotope_Atom_Count	0
7342	Structure_Complexity	76.6
73158666	Structure_Complexity	89.9
100439	Mono_Isotopic_Weight	190.04907545
69503325	Exact_Mass	534.25185757
10492	Isotope_Atom_Count	0
10226045	Structure_Complexity	730
4630913	Defined_Atom_Stereo_Count	0
9872634	XLogP3-AA	6.2
6434070	Undefined_Bond_Stereo_Count	0
129664338	Rotatable_Bond_Count	1
9877306	Defined_Atom_Stereo_Count	14
62904	Hydrogen_Bond_Donor_Count	0
94865124	Defined_Bond_Stereo_Count	0
410906	Hydrogen_Bond_Acceptor_Count	8
135398592	Undefined_Atom_Stereo_Count	0
71611	Non-hydrogen_Atom_Count	29
128229	TPSA	267
79196	Molecular_Weight	114.19
6438372	Defined_Atom_Stereo_Count	1
123788466	Mono_Isotopic_Weight	95.048347172
54698175	TPSA	55.8
91333	TPSA	60.8
195906	Defined_Atom_Stereo_Count	0
23662025	Total_Formal_Charge	0
118654527	XLogP3-AA	2.5
57442010	TPSA	116
1918	Structure_Complexity	1610
134593	Mono_Isotopic_Weight	115.026943022
2322334	TPSA	52.7
163050680	Hydrogen_Bond_Acceptor_Count	5
8682	Total_Formal_Charge	1
118210311	Exact_Mass	110.011627311
71652	Covalent_Unit_Count	1
43242	XLogP3	2.3
549278	XLogP3-AA	0.1
15842094	XLogP3-AA	8
61105	Undefined_Atom_Stereo_Count	0
98266	Defined_Bond_Stereo_Count	0
68891	Hydrogen_Bond_Donor_Count	0
160531	Mono_Isotopic_Weight	286.193280068
2356882	Defined_Bond_Stereo_Count	0
45358055	Structure_Complexity	507
3799953	Mono_Isotopic_Weight	78.03774543
6271688	Non-hydrogen_Atom_Count	36
141508	Undefined_Atom_Stereo_Count	2
129693507	Non-hydrogen_Atom_Count	28
89590	Molecular_Weight	164.20
4238	Defined_Bond_Stereo_Count	0
101191397	Hydrogen_Bond_Acceptor_Count	2
76080	Rotatable_Bond_Count	2
641294	Covalent_Unit_Count	1
19116	Exact_Mass	466.98338061
13223	Structure_Complexity	277
7213679	Structure_Complexity	820
21651128	Molecular_Weight	117.15
68570	Hydrogen_Bond_Acceptor_Count	2
58640	Hydrogen_Bond_Acceptor_Count	5
24191	Molecular_Weight	198.30
22227703	Exact_Mass	466.1758310
129634850	Mono_Isotopic_Weight	98.048012819
20351642	Mono_Isotopic_Weight	254.08171824
180335	Molecular_Weight	351.9
136060	Molecular_Weight	108.18
11717831	Non-hydrogen_Atom_Count	27
135421392	XLogP3-AA	10.5
12660241	Isotope_Atom_Count	0
8169	Undefined_Bond_Stereo_Count	0
13583	TPSA	26
11494412	Covalent_Unit_Count	1
7618	Molecular_Weight	149.19
11040682	Defined_Bond_Stereo_Count	0
6324604	Molecular_Weight	458.0
12940550	Hydrogen_Bond_Donor_Count	1
72135	XLogP3	2
68296308	Mono_Isotopic_Weight	110.059246208
18175	Defined_Atom_Stereo_Count	0
15778	Hydrogen_Bond_Donor_Count	1
694146	XLogP3-AA	3.4
4833	Structure_Complexity	1480
2752445	Isotope_Atom_Count	0
129848458	XLogP3-AA	5
16162116	Hydrogen_Bond_Donor_Count	42
20823	Mono_Isotopic_Weight	428.00886708
4271571	Undefined_Bond_Stereo_Count	0
85829	Rotatable_Bond_Count	4
6429274	Defined_Bond_Stereo_Count	1
2186	Undefined_Atom_Stereo_Count	0
9371	Defined_Bond_Stereo_Count	0
23262319	Non-hydrogen_Atom_Count	7
64488	Hydrogen_Bond_Acceptor_Count	1
71587168	Hydrogen_Bond_Acceptor_Count	72
140955	XLogP3-AA	1.4
3035894	TPSA	102
39468	Defined_Bond_Stereo_Count	0
3037914	Hydrogen_Bond_Acceptor_Count	5
66426141	Covalent_Unit_Count	1
10291131	TPSA	190
151707353	Hydrogen_Bond_Acceptor_Count	2
57397461	Molecular_Weight	409.9
21804	Undefined_Bond_Stereo_Count	0
134505	Defined_Atom_Stereo_Count	1
17356	Tautomer_Count	1
13973648	Defined_Bond_Stereo_Count	0
3614338	Mono_Isotopic_Weight	195.9316713
5281894	Total_Formal_Charge	0
5479494	Covalent_Unit_Count	1
31072	Undefined_Bond_Stereo_Count	0
5258	Isotope_Atom_Count	0
137685	Exact_Mass	112.088815002
103023	TPSA	90.2
8565	Defined_Atom_Stereo_Count	4
83883	Mono_Isotopic_Weight	313.13728131
19587	Defined_Atom_Stereo_Count	0
23665730	Hydrogen_Bond_Donor_Count	0
24354	Molecular_Weight	100.12
53470	Mono_Isotopic_Weight	245.08520679
446916	XLogP3-AA	2.9
56955071	Molecular_Weight	339.4
6432709	Defined_Atom_Stereo_Count	1
83904778	Mono_Isotopic_Weight	114.068079557
71398	Covalent_Unit_Count	1
139088888	Total_Formal_Charge	0
16051930	Molecular_Weight	312.4
12905096	Undefined_Bond_Stereo_Count	0
138493	Undefined_Bond_Stereo_Count	0
20395	XLogP3-AA	4.3
12705044	Hydrogen_Bond_Donor_Count	0
59904965	Structure_Complexity	0
29256	Undefined_Bond_Stereo_Count	0
9963057	Tautomer_Count	3
24901349	Non-hydrogen_Atom_Count	34
54744	Hydrogen_Bond_Acceptor_Count	4
436482	Molecular_Weight	193.28
76223588	Total_Formal_Charge	0
54677971	TPSA	136
28639	Tautomer_Count	1
90281906	Defined_Bond_Stereo_Count	0
57514051	Mono_Isotopic_Weight	1024.3123164
12452042	Hydrogen_Bond_Acceptor_Count	1
1669	Tautomer_Count	5
78704	Covalent_Unit_Count	2
9929799	Mono_Isotopic_Weight	380.0927701
265375	Mono_Isotopic_Weight	133.089149355
98808	Hydrogen_Bond_Acceptor_Count	0
91612119	Structure_Complexity	109
6855	Hydrogen_Bond_Acceptor_Count	3
164610	Total_Formal_Charge	0
22154890	Hydrogen_Bond_Acceptor_Count	0
17215	Isotope_Atom_Count	0
14143095	Isotope_Atom_Count	0
127757	Isotope_Atom_Count	0
156144	Covalent_Unit_Count	1
74764517	Structure_Complexity	537
21772	Exact_Mass	293.214349865
168871	XLogP3-AA	2.7
30699	Molecular_Weight	423.5
10890	Structure_Complexity	99.7
5362457	Undefined_Bond_Stereo_Count	0
701016	Non-hydrogen_Atom_Count	19
11236353	Rotatable_Bond_Count	8
6458	Non-hydrogen_Atom_Count	20
11747547	Defined_Bond_Stereo_Count	0
26314	Structure_Complexity	1410
67893	Tautomer_Count	1
5311412	Non-hydrogen_Atom_Count	27
8494	Covalent_Unit_Count	1
3035668	Defined_Atom_Stereo_Count	0
67534	Hydrogen_Bond_Donor_Count	0
21648	Undefined_Bond_Stereo_Count	0
657	Molecular_Weight	722.9
93	Molecular_Weight	160.12
3033988	Hydrogen_Bond_Donor_Count	0
73364	TPSA	84.5
6321392	XLogP3-AA	0.8
452521	Covalent_Unit_Count	1
24901285	TPSA	119
5217	Hydrogen_Bond_Acceptor_Count	6
80108978	Rotatable_Bond_Count	2
1367	Defined_Atom_Stereo_Count	0
10243599	Defined_Bond_Stereo_Count	0
76319	TPSA	26
4676	Molecular_Weight	339.4
77720	Exact_Mass	223.08445790
153834924	Molecular_Weight	98.10
10813653	Isotope_Atom_Count	0
17694	Rotatable_Bond_Count	5
13332726	Exact_Mass	98.048012819
57090177	TPSA	28.7
16541	Undefined_Atom_Stereo_Count	0
85500	Isotope_Atom_Count	0
6924	Structure_Complexity	217
11504	Isotope_Atom_Count	0
90707927	Molecular_Weight	108.18
6918584	Molecular_Weight	2178.0
98615047	Hydrogen_Bond_Donor_Count	0
39184	TPSA	91.6
82141	Tautomer_Count	1
23671691	Isotope_Atom_Count	0
71415	Tautomer_Count	3
6434185	Isotope_Atom_Count	0
41264	Defined_Atom_Stereo_Count	0
54728506	Total_Formal_Charge	0
53259022	XLogP3-AA	4.7
6335986	Structure_Complexity	744
64032	Exact_Mass	332.0806812
588	Defined_Bond_Stereo_Count	0
24839622	TPSA	2440
82703	Hydrogen_Bond_Acceptor_Count	1
96132	Structure_Complexity	124
120741	Rotatable_Bond_Count	5
29971	Rotatable_Bond_Count	2
16071605	Undefined_Atom_Stereo_Count	0
84759	Non-hydrogen_Atom_Count	11
17909	Structure_Complexity	219
136673	Mono_Isotopic_Weight	98.109550447
16496	Total_Formal_Charge	0
9838284	Defined_Atom_Stereo_Count	0
53477601	Defined_Atom_Stereo_Count	0
717663	Mono_Isotopic_Weight	281.116426730
2723721	Undefined_Bond_Stereo_Count	0
68321915	Exact_Mass	336.15862589
71586635	Undefined_Atom_Stereo_Count	0
139001	Rotatable_Bond_Count	0
89664	Structure_Complexity	215
53466	TPSA	57
124019740	Undefined_Bond_Stereo_Count	0
7315	Isotope_Atom_Count	0
108000	Mono_Isotopic_Weight	279.137162174
29877	Mono_Isotopic_Weight	180.089877630
20653	Covalent_Unit_Count	1
2811261	Isotope_Atom_Count	0
9799888	Molecular_Weight	377.5
15853020	Rotatable_Bond_Count	2
129664338	Structure_Complexity	374
9559	Undefined_Atom_Stereo_Count	0
11848	Structure_Complexity	134
134754219	Covalent_Unit_Count	1
247573	Rotatable_Bond_Count	2
78748	Hydrogen_Bond_Acceptor_Count	2
25271818	Structure_Complexity	482
10275777	Defined_Atom_Stereo_Count	0
7149	Covalent_Unit_Count	1
518740	Total_Formal_Charge	0
45214	Undefined_Atom_Stereo_Count	0
12214987	Hydrogen_Bond_Donor_Count	0
135887830	Hydrogen_Bond_Donor_Count	21
7716	Tautomer_Count	1
79143	Hydrogen_Bond_Donor_Count	1
65246	Undefined_Bond_Stereo_Count	0
443943	Isotope_Atom_Count	0
16760	Mono_Isotopic_Weight	254.0126017
5360696	Defined_Bond_Stereo_Count	0
88959077	Undefined_Bond_Stereo_Count	0
2856977	Mono_Isotopic_Weight	247.132076794
11584	Hydrogen_Bond_Donor_Count	0
285725	Exact_Mass	110.048012819
347271	Mono_Isotopic_Weight	100.063662883
16005262	Mono_Isotopic_Weight	98.084398327
475320	Mono_Isotopic_Weight	572.98649516
441035	Molecular_Weight	180.16
94214	Hydrogen_Bond_Acceptor_Count	6
11777341	Covalent_Unit_Count	2
121945	Defined_Bond_Stereo_Count	0
136102	Hydrogen_Bond_Acceptor_Count	1
3621	Hydrogen_Bond_Acceptor_Count	2
130055137	Defined_Atom_Stereo_Count	0
19773393	Defined_Atom_Stereo_Count	0
7465	XLogP3	2.9
7594067	Mono_Isotopic_Weight	343.10243389
87748	Undefined_Atom_Stereo_Count	0
89138978	Isotope_Atom_Count	0
151446	Total_Formal_Charge	0
130802	Non-hydrogen_Atom_Count	13
119716	Exact_Mass	143.167399674
822315	Mono_Isotopic_Weight	272.11206962
146158506	Covalent_Unit_Count	1
46203391	Mono_Isotopic_Weight	449.16518844
832495	Defined_Atom_Stereo_Count	0
140047825	Exact_Mass	575.09703019
19429	Mono_Isotopic_Weight	256.125200510
2734678	Hydrogen_Bond_Acceptor_Count	5
5367785	Hydrogen_Bond_Donor_Count	0
444025	Mono_Isotopic_Weight	466.1758310
9909202	Molecular_Weight	404.7
117273842	Covalent_Unit_Count	1
19017820	Hydrogen_Bond_Donor_Count	1
149433	Rotatable_Bond_Count	1
76537	Structure_Complexity	168
137228068	Total_Formal_Charge	0
164333	Isotope_Atom_Count	0
10700	Tautomer_Count	1
56623	Molecular_Weight	309.4
12386877	Non-hydrogen_Atom_Count	6
2243	Total_Formal_Charge	0
442076	Exact_Mass	378.24062418
44310254	Total_Formal_Charge	0
170345	Undefined_Bond_Stereo_Count	0
80045	Hydrogen_Bond_Acceptor_Count	2
11314340	Non-hydrogen_Atom_Count	27
9912092	Exact_Mass	460.13042228
23350	Total_Formal_Charge	0
4723	Undefined_Bond_Stereo_Count	0
1374121	Molecular_Weight	463.6
123789923	Exact_Mass	108.093900383
98150	Undefined_Atom_Stereo_Count	1
20548464	Total_Formal_Charge	0
90472770	Defined_Atom_Stereo_Count	4
25147683	Hydrogen_Bond_Acceptor_Count	7
104881	XLogP3-AA	4.9
146367450	Undefined_Bond_Stereo_Count	0
5353495	Undefined_Atom_Stereo_Count	2
6722	Total_Formal_Charge	0
8028	Covalent_Unit_Count	1
1694	TPSA	41.6
67437	TPSA	18.5
116701105	Isotope_Atom_Count	0
13974331	Total_Formal_Charge	0
96457	Structure_Complexity	108
11503972	Structure_Complexity	535
140809	Structure_Complexity	54.9
53766125	Hydrogen_Bond_Donor_Count	2
56950732	Exact_Mass	381.0801570
58152970	Hydrogen_Bond_Donor_Count	0
11534	Covalent_Unit_Count	1
96865	Hydrogen_Bond_Acceptor_Count	1
86805	TPSA	82
132274085	Exact_Mass	834.54530517
57190813	Isotope_Atom_Count	0
123248	Mono_Isotopic_Weight	70.041864811
44345559	Covalent_Unit_Count	1
54456063	Total_Formal_Charge	0
13118	Tautomer_Count	3
53873414	Defined_Atom_Stereo_Count	0
126664809	Total_Formal_Charge	0
89082395	Isotope_Atom_Count	0
413535	Non-hydrogen_Atom_Count	15
63985	Total_Formal_Charge	0
398745	TPSA	36.3
81223	Rotatable_Bond_Count	2
12057264	Hydrogen_Bond_Acceptor_Count	1
4011	Defined_Bond_Stereo_Count	0
17567	XLogP3-AA	0.9
13672886	TPSA	32.3
29498	Undefined_Bond_Stereo_Count	0
10047141	Total_Formal_Charge	0
70641785	XLogP3-AA	0.9
9885692	Total_Formal_Charge	0
12572	Rotatable_Bond_Count	2
3898924	Hydrogen_Bond_Acceptor_Count	2
131632500	Defined_Bond_Stereo_Count	0
71311204	Non-hydrogen_Atom_Count	10
60606	Molecular_Weight	321.8
93227	Undefined_Bond_Stereo_Count	0
573467	Exact_Mass	110.048012819
12757499	Total_Formal_Charge	0
90472753	Tautomer_Count	1
132282752	Defined_Bond_Stereo_Count	0
376375	Defined_Bond_Stereo_Count	0
1084	Defined_Bond_Stereo_Count	0
6427770	Isotope_Atom_Count	0
68062720	Defined_Bond_Stereo_Count	0
670580	Molecular_Weight	320.3
529333	Defined_Atom_Stereo_Count	0
119095461	Hydrogen_Bond_Acceptor_Count	3
6033664	TPSA	59.3
78330	Mono_Isotopic_Weight	188.094963011
71783	TPSA	238
6432095	Covalent_Unit_Count	1
10193369	Total_Formal_Charge	0
73024	Defined_Bond_Stereo_Count	0
57927934	Non-hydrogen_Atom_Count	34
4596	Total_Formal_Charge	0
14826608	Mono_Isotopic_Weight	99.032028402
91754428	Undefined_Atom_Stereo_Count	1
5460308	Defined_Bond_Stereo_Count	0
9844225	TPSA	65.1
14484	Defined_Bond_Stereo_Count	0
84998	XLogP3-AA	2.6
53800769	Defined_Atom_Stereo_Count	0
135398640	Rotatable_Bond_Count	4
3430	Undefined_Bond_Stereo_Count	4
16133802	Structure_Complexity	6500
6434345	Undefined_Bond_Stereo_Count	0
23443327	TPSA	79.9
20060810	Undefined_Bond_Stereo_Count	0
5367369	Exact_Mass	332.271530387
82362	Mono_Isotopic_Weight	684.06850721
28620	Isotope_Atom_Count	0
418587	TPSA	238
53723365	Undefined_Atom_Stereo_Count	0
10498042	Rotatable_Bond_Count	5
92132419	Hydrogen_Bond_Acceptor_Count	11
78579	Isotope_Atom_Count	0
101626738	TPSA	146
28327	Exact_Mass	490.0846756
129834519	Exact_Mass	500.93928053
419	Undefined_Atom_Stereo_Count	0
38347	Structure_Complexity	253
73441	Covalent_Unit_Count	1
8309	Defined_Bond_Stereo_Count	0
108147	Hydrogen_Bond_Acceptor_Count	12
2734639	Structure_Complexity	133
448133	Hydrogen_Bond_Donor_Count	4
5365642	Total_Formal_Charge	0
12965	Defined_Bond_Stereo_Count	0
5486821	Defined_Atom_Stereo_Count	2
57291121	Rotatable_Bond_Count	2
886677	Defined_Atom_Stereo_Count	1
10975415	Structure_Complexity	88.1
4753	Mono_Isotopic_Weight	178.074227566
10076625	Hydrogen_Bond_Acceptor_Count	10
8857	Structure_Complexity	49.5
44717	TPSA	55.5
6387	XLogP3-AA	1.5
163321054	Hydrogen_Bond_Acceptor_Count	22
18386	Defined_Atom_Stereo_Count	0
129774195	Exact_Mass	95.073499291
65914	Tautomer_Count	4
60937	Defined_Atom_Stereo_Count	0
73233	Covalent_Unit_Count	1
6435812	TPSA	24.8
11417954	Isotope_Atom_Count	0
11332442	Structure_Complexity	99.1
23730921	Undefined_Atom_Stereo_Count	1
532	Defined_Bond_Stereo_Count	0
156780754	Exact_Mass	343.12248826
22411865	Undefined_Atom_Stereo_Count	0
126968951	Undefined_Atom_Stereo_Count	1
444	Rotatable_Bond_Count	4
139356	Hydrogen_Bond_Acceptor_Count	11
77314383	TPSA	9.2
70008	Defined_Atom_Stereo_Count	0
10582755	Defined_Atom_Stereo_Count	0
121026	Hydrogen_Bond_Acceptor_Count	3
861	Molecular_Weight	650.97
14200531	XLogP3-AA	1.3
65079	Rotatable_Bond_Count	12
5086	Covalent_Unit_Count	1
141395	Isotope_Atom_Count	0
42373	Tautomer_Count	4
20059462	Undefined_Atom_Stereo_Count	3
19016756	Undefined_Atom_Stereo_Count	0
23695324	Tautomer_Count	3
13486	Rotatable_Bond_Count	4
13573631	Rotatable_Bond_Count	3
1736	Defined_Atom_Stereo_Count	0
54583932	Hydrogen_Bond_Acceptor_Count	4
5311104	Rotatable_Bond_Count	3
11779786	Molecular_Weight	304.29
157820065	XLogP3-AA	2.5
6426740	Structure_Complexity	675
55291103	Defined_Bond_Stereo_Count	0
47676	Hydrogen_Bond_Donor_Count	1
6713951	Total_Formal_Charge	0
19809513	Mono_Isotopic_Weight	94.016712692
2762816	Hydrogen_Bond_Donor_Count	1
7262	Undefined_Atom_Stereo_Count	0
98210	Total_Formal_Charge	0
670359	TPSA	53.5
84647731	Total_Formal_Charge	0
28532	Total_Formal_Charge	0
156616838	Rotatable_Bond_Count	4
70916	Rotatable_Bond_Count	8
135410914	Hydrogen_Bond_Acceptor_Count	2
18364059	Mono_Isotopic_Weight	86.036779430
4590704	Molecular_Weight	196.29
544792	Exact_Mass	85.089149355
36660	TPSA	74.4
55284589	Undefined_Bond_Stereo_Count	0
10964421	Undefined_Atom_Stereo_Count	0
6367	Structure_Complexity	33
20111	XLogP3	2
5377571	Hydrogen_Bond_Donor_Count	4
143780	Tautomer_Count	1
3372845	Covalent_Unit_Count	1
15788110	Hydrogen_Bond_Donor_Count	3
22339897	Undefined_Bond_Stereo_Count	0
10221024	Defined_Bond_Stereo_Count	0
15090448	Defined_Bond_Stereo_Count	0
24848403	Defined_Bond_Stereo_Count	0
25023837	Non-hydrogen_Atom_Count	30
21927801	Structure_Complexity	47
45588109	Total_Formal_Charge	0
8400	Defined_Bond_Stereo_Count	0
89200515	Molecular_Weight	180.16
66320	Exact_Mass	109.98373652
62313624	Mono_Isotopic_Weight	97.089149355
66282	Rotatable_Bond_Count	2
6434622	Total_Formal_Charge	0
18737045	Isotope_Atom_Count	0
129812304	Non-hydrogen_Atom_Count	7
18787	Defined_Atom_Stereo_Count	0
53320169	Defined_Bond_Stereo_Count	0
439373	Rotatable_Bond_Count	2
1549133	Hydrogen_Bond_Acceptor_Count	4
139024314	Defined_Atom_Stereo_Count	5
128882	Tautomer_Count	3
3009	Mono_Isotopic_Weight	182.08668395
103439594	Undefined_Atom_Stereo_Count	0
15084311	Defined_Bond_Stereo_Count	0
30924	Undefined_Bond_Stereo_Count	0
60195812	Mono_Isotopic_Weight	325.17902698
66586067	Covalent_Unit_Count	2
66036969	Molecular_Weight	112.13
20150	Hydrogen_Bond_Donor_Count	0
131954444	Defined_Bond_Stereo_Count	1
480242	Rotatable_Bond_Count	2
58024825	Undefined_Bond_Stereo_Count	0
91688	Tautomer_Count	1
23649154	Mono_Isotopic_Weight	517.11374260
6323266	Hydrogen_Bond_Donor_Count	3
134687040	Mono_Isotopic_Weight	545.23667825
142559332	Molecular_Weight	111.14
165542295	Non-hydrogen_Atom_Count	8
651092	Hydrogen_Bond_Acceptor_Count	7
51030054	Non-hydrogen_Atom_Count	30
21328181	Undefined_Atom_Stereo_Count	2
20054868	Mono_Isotopic_Weight	1184.48869727
11421	Defined_Bond_Stereo_Count	0
13063590	Isotope_Atom_Count	0
132275556	Covalent_Unit_Count	1
73584	Mono_Isotopic_Weight	307.15320616
52944532	Molecular_Weight	415.4
6971018	Undefined_Atom_Stereo_Count	0
84063980	Rotatable_Bond_Count	1
44017	Mono_Isotopic_Weight	333.081783
79043	Undefined_Bond_Stereo_Count	0
7597	Exact_Mass	214.062994177
5288382	Hydrogen_Bond_Donor_Count	3
20449	Undefined_Bond_Stereo_Count	0
181134	Total_Formal_Charge	0
5320868	Mono_Isotopic_Weight	324.183778013
446156	Mono_Isotopic_Weight	459.24210135
32169	Defined_Atom_Stereo_Count	0
21827	XLogP3-AA	1
503327	Total_Formal_Charge	0
11513733	Exact_Mass	82.016712692
20231751	Rotatable_Bond_Count	0
11675641	Defined_Atom_Stereo_Count	0
90773	Total_Formal_Charge	0
14445624	Total_Formal_Charge	0
15550385	Exact_Mass	276.14739250
70403	Exact_Mass	316.0648413
5962	Hydrogen_Bond_Acceptor_Count	4
170214	Non-hydrogen_Atom_Count	12
20517187	Defined_Bond_Stereo_Count	0
44516953	Mono_Isotopic_Weight	615.32815082
41539	Hydrogen_Bond_Acceptor_Count	2
6620134	Covalent_Unit_Count	1
11632113	Rotatable_Bond_Count	7
105426997	Rotatable_Bond_Count	1
1035	Undefined_Atom_Stereo_Count	5
23666879	Isotope_Atom_Count	0
53946395	Defined_Atom_Stereo_Count	0
134689784	Isotope_Atom_Count	0
4963	TPSA	143
68626	Mono_Isotopic_Weight	296.1291556
70682214	XLogP3-AA	1.3
12276	Hydrogen_Bond_Donor_Count	0
13794994	Hydrogen_Bond_Donor_Count	1
11552706	Defined_Bond_Stereo_Count	0
85812	Undefined_Bond_Stereo_Count	0
13367	Defined_Atom_Stereo_Count	0
10627323	Defined_Atom_Stereo_Count	0
41037	Exact_Mass	346.0826531
712373	Defined_Atom_Stereo_Count	0
16133802	Hydrogen_Bond_Acceptor_Count	41
91067785	Rotatable_Bond_Count	0
100933147	TPSA	277
135564773	Non-hydrogen_Atom_Count	23
23283001	Structure_Complexity	124
12990	TPSA	17.1
446845	Hydrogen_Bond_Donor_Count	1
68343260	Undefined_Bond_Stereo_Count	0
8059	Isotope_Atom_Count	0
2090	Hydrogen_Bond_Donor_Count	6
154479899	Undefined_Atom_Stereo_Count	3
9571004	Molecular_Weight	458.0
81749	Defined_Bond_Stereo_Count	0
70917	Mono_Isotopic_Weight	182.130679813
143184805	Defined_Bond_Stereo_Count	0
6917959	Defined_Atom_Stereo_Count	1
27655	Exact_Mass	151.9876363
69242	Exact_Mass	162.038970
69938	Hydrogen_Bond_Donor_Count	0
52918384	TPSA	123
23525993	Exact_Mass	98.048012819
46937020	Undefined_Bond_Stereo_Count	0
77487	Rotatable_Bond_Count	4
24776154	Rotatable_Bond_Count	1
6858	Hydrogen_Bond_Acceptor_Count	4
123458	Undefined_Bond_Stereo_Count	0
65019	Hydrogen_Bond_Acceptor_Count	2
1003	Hydrogen_Bond_Donor_Count	2
91053206	Undefined_Atom_Stereo_Count	1
61523	Exact_Mass	164.120115130
63964	Non-hydrogen_Atom_Count	26
21879756	Undefined_Bond_Stereo_Count	0
23672566	Hydrogen_Bond_Acceptor_Count	12
76223836	Undefined_Atom_Stereo_Count	2
170297	Non-hydrogen_Atom_Count	7
20798615	Total_Formal_Charge	0
156618179	Exact_Mass	342.11621151
6842999	XLogP3-AA	1.3
12650466	Molecular_Weight	134.3
44237242	TPSA	97.5
300977	Undefined_Bond_Stereo_Count	0
8764	Isotope_Atom_Count	0
15139	Non-hydrogen_Atom_Count	26
101526	Structure_Complexity	727
29809	Non-hydrogen_Atom_Count	25
123809941	Rotatable_Bond_Count	0
141631	Hydrogen_Bond_Donor_Count	0
115266	Defined_Atom_Stereo_Count	0
4630917	Mono_Isotopic_Weight	245.177964357
72200670	Exact_Mass	348.13481644
270563	Isotope_Atom_Count	0
93804	Hydrogen_Bond_Acceptor_Count	7
139192	Defined_Bond_Stereo_Count	0
193832	Undefined_Atom_Stereo_Count	0
64722	Defined_Atom_Stereo_Count	0
12739589	TPSA	26.3
49783923	Isotope_Atom_Count	0
274730	Hydrogen_Bond_Donor_Count	3
28003	Undefined_Bond_Stereo_Count	0
12431743	Exact_Mass	94.041864811
136874	Structure_Complexity	68.5
45933886	Defined_Atom_Stereo_Count	4
25076512	Exact_Mass	1633.77700666
22407200	Mono_Isotopic_Weight	115.99297052
71109	Mono_Isotopic_Weight	272.152477885
43220	Structure_Complexity	1020
49792792	Molecular_Weight	358.5
12667	Undefined_Bond_Stereo_Count	0
57547	Covalent_Unit_Count	1
5319765	Hydrogen_Bond_Acceptor_Count	3
517165	Structure_Complexity	25.5
70688570	Molecular_Weight	385.4
71249967	Non-hydrogen_Atom_Count	36
830033	Defined_Bond_Stereo_Count	0
3081386	Mono_Isotopic_Weight	679.08627911
165609608	Undefined_Atom_Stereo_Count	3
20387231	Non-hydrogen_Atom_Count	7
8069	Defined_Atom_Stereo_Count	0
94213	Isotope_Atom_Count	0
21786118	Defined_Bond_Stereo_Count	0
57136075	Hydrogen_Bond_Donor_Count	1
102311438	Isotope_Atom_Count	0
49243	Molecular_Weight	286.39
126830	Hydrogen_Bond_Donor_Count	1
20952	Undefined_Atom_Stereo_Count	0
44392161	Undefined_Atom_Stereo_Count	0
519946	Mono_Isotopic_Weight	86.073164938
7371	Defined_Bond_Stereo_Count	0
116025273	Exact_Mass	108.068748264
79127	Defined_Atom_Stereo_Count	0
162817	Defined_Bond_Stereo_Count	0
44126034	Total_Formal_Charge	0
22833489	Total_Formal_Charge	0
4195974	Isotope_Atom_Count	0
96807	Structure_Complexity	417
22386229	Structure_Complexity	53.7
20056743	Isotope_Atom_Count	0
15038	Total_Formal_Charge	0
73292	Undefined_Bond_Stereo_Count	0
92363	Undefined_Bond_Stereo_Count	0
5320128	Covalent_Unit_Count	1
681255	TPSA	68.5
18728952	Hydrogen_Bond_Acceptor_Count	2
59388	Molecular_Weight	291.21
93502	Rotatable_Bond_Count	4
20699949	Non-hydrogen_Atom_Count	8
435459	Undefined_Atom_Stereo_Count	6
86305	Covalent_Unit_Count	1
123385	Defined_Atom_Stereo_Count	0
28327	Total_Formal_Charge	0
31256	Total_Formal_Charge	0
2528	XLogP3-AA	1.9
129848458	Covalent_Unit_Count	1
2394	Structure_Complexity	2300
838868	Undefined_Bond_Stereo_Count	0
54173839	Defined_Atom_Stereo_Count	0
246598	Defined_Bond_Stereo_Count	0
9794712	Undefined_Atom_Stereo_Count	0
14523552	Undefined_Atom_Stereo_Count	0
88093948	Defined_Bond_Stereo_Count	0
64510	Total_Formal_Charge	0
78494	Exact_Mass	136.052429494
77676	Total_Formal_Charge	0
4671	XLogP3-AA	6.2
20553	Mono_Isotopic_Weight	85.052763847
6604472	Hydrogen_Bond_Donor_Count	3
44412343	Defined_Bond_Stereo_Count	0
51346588	Rotatable_Bond_Count	0
54023308	Undefined_Atom_Stereo_Count	0
94229	Covalent_Unit_Count	1
6433509	Non-hydrogen_Atom_Count	47
39752	Tautomer_Count	2
578771	Covalent_Unit_Count	1
71452498	Exact_Mass	535.12133477
135564632	Hydrogen_Bond_Acceptor_Count	4
7807	TPSA	26
36272	Mono_Isotopic_Weight	439.21409234
134694678	Undefined_Bond_Stereo_Count	1
84487	Rotatable_Bond_Count	12
98416	Defined_Bond_Stereo_Count	0
10975412	Defined_Atom_Stereo_Count	0
6436148	Defined_Atom_Stereo_Count	7
6433695	Defined_Atom_Stereo_Count	0
193581	Non-hydrogen_Atom_Count	7
20378091	Total_Formal_Charge	0
1560	Total_Formal_Charge	0
24771824	Isotope_Atom_Count	0
119058385	Undefined_Atom_Stereo_Count	0
21455617	Undefined_Atom_Stereo_Count	0
56955284	Hydrogen_Bond_Acceptor_Count	2
79905	Isotope_Atom_Count	0
585174	TPSA	37.3
208924	Hydrogen_Bond_Acceptor_Count	5
66191	Hydrogen_Bond_Donor_Count	0
5360487	Exact_Mass	420.09575085
16290686	Hydrogen_Bond_Donor_Count	3
31227	Covalent_Unit_Count	1
6324616	Structure_Complexity	1330
54132691	Undefined_Bond_Stereo_Count	0
5355026	Exact_Mass	218.167065321
21580808	Isotope_Atom_Count	0
444346	XLogP3-AA	0.6
34936	Undefined_Bond_Stereo_Count	0
5311077	Tautomer_Count	1
60196293	Structure_Complexity	528
5486209	Rotatable_Bond_Count	0
11862	XLogP3-AA	3.5
134717	Tautomer_Count	1
15744	Tautomer_Count	1
23982	Hydrogen_Bond_Donor_Count	0
49869173	Undefined_Bond_Stereo_Count	0
5281764	Defined_Atom_Stereo_Count	2
137281577	Total_Formal_Charge	0
13082758	Defined_Atom_Stereo_Count	0
70678557	Structure_Complexity	14600
259329	Total_Formal_Charge	0
520761	Mono_Isotopic_Weight	100.088815002
23173	Structure_Complexity	204
81762	Covalent_Unit_Count	1
214321	Total_Formal_Charge	0
65526	Defined_Bond_Stereo_Count	0
56661920	Non-hydrogen_Atom_Count	35
67085	Undefined_Bond_Stereo_Count	0
10721	TPSA	23.8
115374	Non-hydrogen_Atom_Count	28
611834	Rotatable_Bond_Count	1
75195	Isotope_Atom_Count	0
46205407	Exact_Mass	648.31346959
25793	Hydrogen_Bond_Donor_Count	1
118917438	Molecular_Weight	115.13
10034577	TPSA	32.3
3084049	Defined_Atom_Stereo_Count	20
418745	Hydrogen_Bond_Acceptor_Count	3
3080926	Molecular_Weight	186.21
154496863	Non-hydrogen_Atom_Count	23
584645	Undefined_Atom_Stereo_Count	0
69190	Mono_Isotopic_Weight	164.058577502
559740	Tautomer_Count	1
6451151	Non-hydrogen_Atom_Count	20
23665763	Structure_Complexity	33.9
78538	Hydrogen_Bond_Acceptor_Count	4
134601	Molecular_Weight	294.30
6336525	Undefined_Atom_Stereo_Count	0
8641	Non-hydrogen_Atom_Count	14
27430	XLogP3-AA	5
15061530	Defined_Atom_Stereo_Count	1
20056814	Hydrogen_Bond_Donor_Count	1
6800	Defined_Bond_Stereo_Count	0
11181837	XLogP3-AA	13.6
9910975	Exact_Mass	436.9977429
97127	Mono_Isotopic_Weight	233.095297364
431668	Hydrogen_Bond_Donor_Count	2
132274080	Covalent_Unit_Count	1
53484514	Non-hydrogen_Atom_Count	6
16039021	Defined_Bond_Stereo_Count	0
73114967	Undefined_Atom_Stereo_Count	4
15805	TPSA	21.7
10068207	Defined_Atom_Stereo_Count	0
6921800	Defined_Atom_Stereo_Count	2
55284122	TPSA	35.2
53763878	Hydrogen_Bond_Acceptor_Count	1
18622366	Exact_Mass	112.063662883
59059041	Total_Formal_Charge	0
43226	Defined_Bond_Stereo_Count	0
54579608	Mono_Isotopic_Weight	578.18468499
12225167	Structure_Complexity	67.5
123404946	Mono_Isotopic_Weight	107.073499291
5289517	Undefined_Bond_Stereo_Count	0
79177995	Hydrogen_Bond_Acceptor_Count	2
22181493	Mono_Isotopic_Weight	96.068748264
11524	Exact_Mass	114.104465066
538736	Molecular_Weight	101.10
875202	Defined_Atom_Stereo_Count	0
2756534	Hydrogen_Bond_Acceptor_Count	3
5288209	Rotatable_Bond_Count	6
22397445	Hydrogen_Bond_Donor_Count	1
296197	Exact_Mass	292.13107373
114811	Defined_Bond_Stereo_Count	0
19927	Tautomer_Count	1
50894	XLogP3	0.9
520548	Molecular_Weight	100.16
37807	Hydrogen_Bond_Acceptor_Count	0
447865	Undefined_Atom_Stereo_Count	0
12285890	Isotope_Atom_Count	1
55407	Structure_Complexity	553
77266	Undefined_Bond_Stereo_Count	0
10820564	Defined_Atom_Stereo_Count	0
443376	Molecular_Weight	1101.3
122283	Defined_Bond_Stereo_Count	0
135398515	Isotope_Atom_Count	0
70695758	Isotope_Atom_Count	0
66700172	Mono_Isotopic_Weight	116.083729621
20826383	Molecular_Weight	101.15
55400	Undefined_Atom_Stereo_Count	4
14025	TPSA	55.4
4514	Mono_Isotopic_Weight	412.1302182
123217920	Defined_Bond_Stereo_Count	0
64666310	Rotatable_Bond_Count	3
16441	Undefined_Atom_Stereo_Count	1
97289	Defined_Bond_Stereo_Count	0
75516	Defined_Atom_Stereo_Count	0
123673485	Hydrogen_Bond_Donor_Count	0
11992	Defined_Atom_Stereo_Count	0
4920	Defined_Atom_Stereo_Count	0
10220503	Non-hydrogen_Atom_Count	18
45878	Tautomer_Count	1
6917738	Non-hydrogen_Atom_Count	49
12817963	Hydrogen_Bond_Donor_Count	1
3073200	Defined_Bond_Stereo_Count	0
135608329	Isotope_Atom_Count	0
90420227	Molecular_Weight	114.15
2829715	TPSA	106
5564	Rotatable_Bond_Count	2
485083	Mono_Isotopic_Weight	98.084398327
14294904	Hydrogen_Bond_Acceptor_Count	2
97004	Defined_Bond_Stereo_Count	0
6321405	Mono_Isotopic_Weight	154.135765193
145874935	Total_Formal_Charge	0
9537	Isotope_Atom_Count	0
20722796	Undefined_Atom_Stereo_Count	0
69016240	Hydrogen_Bond_Donor_Count	3
11426929	Mono_Isotopic_Weight	311.16337692
6474320	Total_Formal_Charge	0
8348	Hydrogen_Bond_Acceptor_Count	2
3690	Molecular_Weight	261.08
42553	Non-hydrogen_Atom_Count	24
7962	Hydrogen_Bond_Acceptor_Count	0
13794994	Covalent_Unit_Count	1
11281445	Hydrogen_Bond_Donor_Count	4
23015900	Defined_Atom_Stereo_Count	0
520721	Isotope_Atom_Count	0
16290686	Covalent_Unit_Count	1
479503	Hydrogen_Bond_Donor_Count	3
40998	Rotatable_Bond_Count	13
21473742	TPSA	65.6
101827037	Molecular_Weight	1389.9
189562	Hydrogen_Bond_Donor_Count	3
140050359	Structure_Complexity	109
48659	Isotope_Atom_Count	0
2781329	Isotope_Atom_Count	0
72200722	Covalent_Unit_Count	1
5359563	Structure_Complexity	282
446308	Covalent_Unit_Count	1
135414420	Defined_Bond_Stereo_Count	0
8283	Defined_Atom_Stereo_Count	0
58714	Structure_Complexity	187
103015	Exact_Mass	302.17293854
447815	Undefined_Bond_Stereo_Count	0
141407440	XLogP3-AA	0.9
60209624	Mono_Isotopic_Weight	313.15387487
8791	TPSA	26.3
44144429	Undefined_Bond_Stereo_Count	0
47628	Covalent_Unit_Count	1
2724387	Covalent_Unit_Count	1
25114553	Non-hydrogen_Atom_Count	36
18769664	Defined_Bond_Stereo_Count	0
1550887	Hydrogen_Bond_Acceptor_Count	2
24214097	Rotatable_Bond_Count	4
64758	Total_Formal_Charge	0
35625	XLogP3-AA	3.5
71853	Mono_Isotopic_Weight	1525.6353145
9706	Undefined_Atom_Stereo_Count	0
79128	Non-hydrogen_Atom_Count	8
12414299	Rotatable_Bond_Count	0
5175	Exact_Mass	339.1059778
104764	Undefined_Bond_Stereo_Count	0
68322085	Undefined_Bond_Stereo_Count	0
5095	Defined_Bond_Stereo_Count	0
53394675	Total_Formal_Charge	0
11029762	Tautomer_Count	2
12471321	Defined_Bond_Stereo_Count	0
104815	Isotope_Atom_Count	0
40030	Hydrogen_Bond_Acceptor_Count	3
15306	Mono_Isotopic_Weight	86.073164938
129486	Structure_Complexity	474
620625	TPSA	17.1
8534	Hydrogen_Bond_Donor_Count	3
143506727	Molecular_Weight	108.18
79814	Covalent_Unit_Count	1
46204396	Defined_Atom_Stereo_Count	0
51030056	Non-hydrogen_Atom_Count	30
7308	Hydrogen_Bond_Acceptor_Count	3
36833	Covalent_Unit_Count	3
92915	Hydrogen_Bond_Donor_Count	1
86222	Mono_Isotopic_Weight	411.0364312
247	Total_Formal_Charge	0
59603622	Structure_Complexity	481
9841240	Undefined_Bond_Stereo_Count	0
72685	Hydrogen_Bond_Donor_Count	6
53465918	Rotatable_Bond_Count	6
12659781	Exact_Mass	84.057514874
9388	TPSA	42.5
54443170	Molecular_Weight	98.14
9955951	Molecular_Weight	461.5
129808802	Mono_Isotopic_Weight	81.057849228
10132844	TPSA	91.4
549168	Mono_Isotopic_Weight	111.068413911
18669439	Molecular_Weight	99.09
54680085	Defined_Atom_Stereo_Count	0
6093	Non-hydrogen_Atom_Count	14
1465	Non-hydrogen_Atom_Count	15
135400456	Defined_Bond_Stereo_Count	0
1127	Total_Formal_Charge	0
6918111	Exact_Mass	328.1917559
65622	Total_Formal_Charge	0
4970	Hydrogen_Bond_Acceptor_Count	6
129800133	Total_Formal_Charge	0
684	Molecular_Weight	564.3
79772	Defined_Atom_Stereo_Count	0
51047	Hydrogen_Bond_Acceptor_Count	3
54344827	Undefined_Atom_Stereo_Count	1
12993402	Rotatable_Bond_Count	0
5368821	Defined_Atom_Stereo_Count	0
3603	Molecular_Weight	349.6
44588235	Undefined_Atom_Stereo_Count	0
443872	TPSA	82.2
2703	Tautomer_Count	1
3653	Exact_Mass	428.29265975
53930639	Defined_Bond_Stereo_Count	0
5491612	XLogP3	3
20330	Total_Formal_Charge	0
21100	Rotatable_Bond_Count	4
2762919	Exact_Mass	113.027691913
85475	Defined_Bond_Stereo_Count	0
160036	Undefined_Bond_Stereo_Count	0
59154995	Hydrogen_Bond_Acceptor_Count	2
4552	Exact_Mass	362.04899647
53748491	Rotatable_Bond_Count	5
20287224	Hydrogen_Bond_Acceptor_Count	3
57602863	XLogP3-AA	1.1
67518639	Hydrogen_Bond_Acceptor_Count	6
107656	Exact_Mass	592.3059301
71671	Total_Formal_Charge	0
4685	Undefined_Atom_Stereo_Count	0
16311605	Defined_Bond_Stereo_Count	0
93566	Defined_Bond_Stereo_Count	0
363475	Defined_Bond_Stereo_Count	0
9817550	Total_Formal_Charge	0
94306	Molecular_Weight	154.16
91805	TPSA	40.9
222786	Exact_Mass	360.19367399
44318267	Exact_Mass	390.11504700
22719613	Rotatable_Bond_Count	0
104818	Undefined_Bond_Stereo_Count	0
21356	Undefined_Atom_Stereo_Count	0
34520	Undefined_Bond_Stereo_Count	0
524681	Defined_Atom_Stereo_Count	0
61293	Undefined_Bond_Stereo_Count	0
5252481	Exact_Mass	103.063328530
69968	Undefined_Atom_Stereo_Count	0
148546849	Defined_Bond_Stereo_Count	0
5171	Mono_Isotopic_Weight	293.13282569
285036	Isotope_Atom_Count	0
12749	Tautomer_Count	2
1616961	Non-hydrogen_Atom_Count	20
23622607	Structure_Complexity	610
314195	Isotope_Atom_Count	0
3998	Structure_Complexity	224
10914	Non-hydrogen_Atom_Count	12
6433266	Covalent_Unit_Count	1
60552	Undefined_Atom_Stereo_Count	1
13619723	Hydrogen_Bond_Donor_Count	1
73894	Isotope_Atom_Count	0
69972	XLogP3	1.8
25015692	Undefined_Bond_Stereo_Count	0
70683089	TPSA	80
160944	Undefined_Atom_Stereo_Count	1
3795	Structure_Complexity	390
60196275	Exact_Mass	426.08043
5282321	Hydrogen_Bond_Acceptor_Count	6
61631	Hydrogen_Bond_Acceptor_Count	2
28459	Isotope_Atom_Count	0
638026	Covalent_Unit_Count	1
69640	Undefined_Bond_Stereo_Count	0
53380818	Undefined_Atom_Stereo_Count	0
66000	XLogP3-AA	1.5
22591521	Isotope_Atom_Count	0
152260	Defined_Bond_Stereo_Count	0
73102147	TPSA	26
153722581	TPSA	76.2
21660	Undefined_Atom_Stereo_Count	4
39528	Non-hydrogen_Atom_Count	19
10080345	Hydrogen_Bond_Acceptor_Count	2
71622385	Covalent_Unit_Count	1
56737	Total_Formal_Charge	0
799	Hydrogen_Bond_Acceptor_Count	6
22015566	XLogP3-AA	2.2
73425380	Rotatable_Bond_Count	10
68099571	Covalent_Unit_Count	1
91030322	Undefined_Bond_Stereo_Count	1
10704	Hydrogen_Bond_Acceptor_Count	1
4284720	Non-hydrogen_Atom_Count	20
71305058	Undefined_Atom_Stereo_Count	0
67739711	Undefined_Atom_Stereo_Count	0
20387242	Covalent_Unit_Count	1
3942	Undefined_Atom_Stereo_Count	0
4382	Hydrogen_Bond_Donor_Count	3
25954	Defined_Atom_Stereo_Count	0
439213	Covalent_Unit_Count	1
644280	Defined_Atom_Stereo_Count	1
667450	Undefined_Bond_Stereo_Count	0
1473879	Defined_Bond_Stereo_Count	0
20769	Undefined_Bond_Stereo_Count	0
7405	Tautomer_Count	3
10887853	Defined_Bond_Stereo_Count	0
42609610	Covalent_Unit_Count	2
544741	Hydrogen_Bond_Acceptor_Count	3
10664	Non-hydrogen_Atom_Count	14
5351	Hydrogen_Bond_Acceptor_Count	10
17890710	Undefined_Atom_Stereo_Count	0
57112474	Undefined_Atom_Stereo_Count	1
16683978	Hydrogen_Bond_Acceptor_Count	4
123688932	Defined_Atom_Stereo_Count	0
9890250	Non-hydrogen_Atom_Count	31
12246933	Rotatable_Bond_Count	2
3512	Structure_Complexity	575
74776	Structure_Complexity	310
60839	Structure_Complexity	406
117265443	Non-hydrogen_Atom_Count	8
4978	TPSA	176
15940949	Tautomer_Count	12
16990	Mono_Isotopic_Weight	214.886310
39912	TPSA	37.3
1120	TPSA	113
24892761	Rotatable_Bond_Count	7
155713	Non-hydrogen_Atom_Count	16
56663313	Hydrogen_Bond_Acceptor_Count	8
96412	Tautomer_Count	4
21584147	Covalent_Unit_Count	1
5378	Defined_Atom_Stereo_Count	0
101942760	Rotatable_Bond_Count	4
18393	Non-hydrogen_Atom_Count	8
102738	Hydrogen_Bond_Acceptor_Count	2
71653	Tautomer_Count	12
54293066	Defined_Bond_Stereo_Count	0
55416	Undefined_Atom_Stereo_Count	0
528603	Undefined_Bond_Stereo_Count	0
121904	Defined_Bond_Stereo_Count	0
3744	Non-hydrogen_Atom_Count	14
5783	Non-hydrogen_Atom_Count	12
85539715	Covalent_Unit_Count	1
18659	TPSA	9.2
47217	Defined_Bond_Stereo_Count	0
24181320	Defined_Bond_Stereo_Count	0
147201521	Defined_Atom_Stereo_Count	0
135455617	Covalent_Unit_Count	1
152119	Hydrogen_Bond_Acceptor_Count	4
61040	Tautomer_Count	1
3033031	Isotope_Atom_Count	0
10441672	Covalent_Unit_Count	1
573744	Total_Formal_Charge	0
125556	Total_Formal_Charge	0
27236	Undefined_Bond_Stereo_Count	0
20205	TPSA	37.3
11907	Total_Formal_Charge	0
437719	Isotope_Atom_Count	0
410865	Structure_Complexity	370
57572416	TPSA	240
19078026	Molecular_Weight	99.13
2777165	Covalent_Unit_Count	1
56683653	Exact_Mass	546.2258500
10833571	Isotope_Atom_Count	0
131697803	Isotope_Atom_Count	3
9852519	Covalent_Unit_Count	1
674701	Rotatable_Bond_Count	5
16216349	Covalent_Unit_Count	1
13628993	Covalent_Unit_Count	3
70672	Undefined_Atom_Stereo_Count	0
18955278	Mono_Isotopic_Weight	97.052763847
57558295	Defined_Atom_Stereo_Count	0
3080935	Undefined_Atom_Stereo_Count	1
132276561	Defined_Bond_Stereo_Count	0
23128	Structure_Complexity	115
5459319	Defined_Atom_Stereo_Count	3
31515	Exact_Mass	292.0146493
834	Isotope_Atom_Count	0
160332	Exact_Mass	287.058243149
36324	Hydrogen_Bond_Acceptor_Count	2
129787588	Covalent_Unit_Count	1
122706485	Exact_Mass	2166.9705054
66773	TPSA	29.1
446080	Rotatable_Bond_Count	1
11377	Defined_Atom_Stereo_Count	0
39976	Mono_Isotopic_Weight	371.0495256
45972	Hydrogen_Bond_Donor_Count	1
13530	Exact_Mass	159.924948
126624267	Exact_Mass	342.11621151
12441297	Mono_Isotopic_Weight	104.037448136
137698364	Defined_Bond_Stereo_Count	2
18542136	Structure_Complexity	488
60947	Defined_Bond_Stereo_Count	0
25526	Total_Formal_Charge	0
56928187	Mono_Isotopic_Weight	298.970157
257156	Structure_Complexity	270
123347340	Molecular_Weight	108.18
125037259	Isotope_Atom_Count	0
2958	Hydrogen_Bond_Donor_Count	5
405298	Mono_Isotopic_Weight	366.08766640
38360	Structure_Complexity	130
13810419	Non-hydrogen_Atom_Count	8
12868288	Undefined_Atom_Stereo_Count	2
5744890	Hydrogen_Bond_Acceptor_Count	3
64647	Undefined_Atom_Stereo_Count	1
637516	Defined_Atom_Stereo_Count	1
12351158	Exact_Mass	97.016378338
11911	Defined_Bond_Stereo_Count	0
138733	Hydrogen_Bond_Acceptor_Count	1
139062526	Molecular_Weight	308.22
3085023	Exact_Mass	114.079312947
456222	TPSA	77.8
118705467	Mono_Isotopic_Weight	645.31491132
46317	Rotatable_Bond_Count	15
101942760	Non-hydrogen_Atom_Count	17
13662384	Structure_Complexity	70.6
24744	Undefined_Atom_Stereo_Count	0
12313849	Rotatable_Bond_Count	0
3878721	XLogP3-AA	1.9
16211333	TPSA	38
9868219	Rotatable_Bond_Count	12
12529691	Undefined_Atom_Stereo_Count	0
1054	Tautomer_Count	3
165075	Undefined_Bond_Stereo_Count	0
533473	Structure_Complexity	183
2678	Undefined_Bond_Stereo_Count	0
97456	TPSA	34.1
57473011	XLogP3-AA	3.4
6315	Hydrogen_Bond_Donor_Count	2
135431244	XLogP3-AA	0.1
398637	Covalent_Unit_Count	1
941	Isotope_Atom_Count	0
140519105	Hydrogen_Bond_Acceptor_Count	2
98468	Isotope_Atom_Count	0
2219	Isotope_Atom_Count	0
44620953	Defined_Atom_Stereo_Count	20
12347118	Undefined_Bond_Stereo_Count	0
5491930	Hydrogen_Bond_Acceptor_Count	4
134436906	TPSA	112
21278822	Covalent_Unit_Count	1
220	Structure_Complexity	234
72758138	Non-hydrogen_Atom_Count	32
9571009	Undefined_Atom_Stereo_Count	1
32933	Non-hydrogen_Atom_Count	19
11589453	Defined_Atom_Stereo_Count	0
71474517	Structure_Complexity	1840
95043	Total_Formal_Charge	0
13803506	Molecular_Weight	108.18
7211	Total_Formal_Charge	0
91586	Molecular_Weight	97.12
11234	Undefined_Atom_Stereo_Count	1
705877	Total_Formal_Charge	0
6454351	Defined_Atom_Stereo_Count	0
3563	Defined_Bond_Stereo_Count	0
479307	TPSA	52
12542086	Defined_Bond_Stereo_Count	0
57498458	TPSA	92.5
90453	Undefined_Bond_Stereo_Count	0
524669	Undefined_Bond_Stereo_Count	0
5327011	Hydrogen_Bond_Donor_Count	2
3452	Molecular_Weight	127.14
5372131	Defined_Atom_Stereo_Count	0
4122	Hydrogen_Bond_Acceptor_Count	5
11625386	Undefined_Bond_Stereo_Count	0
151205	Defined_Atom_Stereo_Count	1
10586	Undefined_Bond_Stereo_Count	0
7561	Isotope_Atom_Count	0
24512	Hydrogen_Bond_Donor_Count	0
58079819	Hydrogen_Bond_Acceptor_Count	1
123678537	XLogP3-AA	1.1
2825062	Mono_Isotopic_Weight	638.09720
129752646	Mono_Isotopic_Weight	395.16904453
270	Structure_Complexity	4220
23674098	Undefined_Atom_Stereo_Count	0
2732	Undefined_Bond_Stereo_Count	0
11083832	Mono_Isotopic_Weight	96.032362755
446400	Total_Formal_Charge	0
42552662	Molecular_Weight	342.30
57915	Undefined_Bond_Stereo_Count	0
425440	Covalent_Unit_Count	1
19017960	Hydrogen_Bond_Acceptor_Count	1
55434	Undefined_Atom_Stereo_Count	1
58795738	Covalent_Unit_Count	1
23274061	Total_Formal_Charge	0
143466591	Molecular_Weight	101.15
12290	Covalent_Unit_Count	1
67678949	Hydrogen_Bond_Donor_Count	0
67387401	Total_Formal_Charge	0
10349	Undefined_Bond_Stereo_Count	0
61791	Mono_Isotopic_Weight	492.25252628
92154	Non-hydrogen_Atom_Count	14
3246495	Defined_Bond_Stereo_Count	0
6713451	Isotope_Atom_Count	0
5460188	Exact_Mass	304.276615768
16659677	Isotope_Atom_Count	0
9805430	Structure_Complexity	839
28650	Structure_Complexity	132
9908783	Rotatable_Bond_Count	3
18689	Defined_Atom_Stereo_Count	0
30913	Hydrogen_Bond_Acceptor_Count	5
6917733	Non-hydrogen_Atom_Count	31
636374	TPSA	107
5363181	Molecular_Weight	416.6
2723617	Mono_Isotopic_Weight	185.0277275
641248	Structure_Complexity	48.1
102602330	Structure_Complexity	15.5
75908	Non-hydrogen_Atom_Count	10
26033	Hydrogen_Bond_Donor_Count	0
37910	Total_Formal_Charge	0
148539	Undefined_Bond_Stereo_Count	0
1548994	Hydrogen_Bond_Acceptor_Count	10
27400	Non-hydrogen_Atom_Count	21
14671573	XLogP3-AA	1.8
522105	Exact_Mass	143.0501770
54691490	Hydrogen_Bond_Acceptor_Count	6
903738	Exact_Mass	338.0491912
7073	XLogP3	1.4
96462	Rotatable_Bond_Count	9
518966	TPSA	0
72929	Covalent_Unit_Count	1
9909684	Undefined_Atom_Stereo_Count	0
151248	Undefined_Atom_Stereo_Count	0
5347	Undefined_Bond_Stereo_Count	1
165411832	Defined_Atom_Stereo_Count	3
10997120	Molecular_Weight	140.65
30291	XLogP3-AA	2.5
119058	Defined_Bond_Stereo_Count	0
53856650	XLogP3-AA	3.4
6438129	Mono_Isotopic_Weight	405.12460863
21749233	Non-hydrogen_Atom_Count	8
96706	Exact_Mass	112.027277375
131952882	Structure_Complexity	490
129891	TPSA	37.3
5325263	Hydrogen_Bond_Acceptor_Count	2
13081	Defined_Bond_Stereo_Count	0
52934127	Tautomer_Count	2
138394128	Non-hydrogen_Atom_Count	43
829002	Rotatable_Bond_Count	6
15752274	Hydrogen_Bond_Donor_Count	0
12313849	TPSA	57.2
61833	Isotope_Atom_Count	0
89811	Covalent_Unit_Count	1
7315	XLogP3-AA	4.2
35407	Exact_Mass	320.131348519
440175	Total_Formal_Charge	0
137268	Exact_Mass	103.042199164
376375	Hydrogen_Bond_Donor_Count	2
69829	Exact_Mass	96.093900383
25245437	Mono_Isotopic_Weight	688.34905972
13808289	Non-hydrogen_Atom_Count	8
517296	Total_Formal_Charge	0
62276	Exact_Mass	461.0489140
18353888	Mono_Isotopic_Weight	350.16891579
123923638	Exact_Mass	60.076679465
96638024	Structure_Complexity	94.5
135399833	Covalent_Unit_Count	4
19633	Defined_Bond_Stereo_Count	0
65478	Hydrogen_Bond_Acceptor_Count	9
7091	Structure_Complexity	140
118388029	Covalent_Unit_Count	1
734884	Undefined_Atom_Stereo_Count	0
4668	TPSA	37.3
44308032	Non-hydrogen_Atom_Count	27
46897877	Hydrogen_Bond_Donor_Count	5
240586	Covalent_Unit_Count	1
92374	Defined_Atom_Stereo_Count	0
95809	Molecular_Weight	403.7
598777	Defined_Atom_Stereo_Count	0
18852	Undefined_Atom_Stereo_Count	0
20299909	Exact_Mass	98.048012819
25273609	Defined_Bond_Stereo_Count	0
11040399	Structure_Complexity	2060
105024	Non-hydrogen_Atom_Count	9
3938668	Non-hydrogen_Atom_Count	21
60789	XLogP3	0.9
14440271	Rotatable_Bond_Count	2
8110	Defined_Bond_Stereo_Count	0
87612217	Defined_Atom_Stereo_Count	0
1069125	Undefined_Bond_Stereo_Count	0
129010024	Undefined_Atom_Stereo_Count	0
104798	Structure_Complexity	0
75092	XLogP3	1.5
5353422	Exact_Mass	460.20971797
6359	Hydrogen_Bond_Acceptor_Count	0
5284592	XLogP3-AA	6.4
91486	Isotope_Atom_Count	0
9571016	Mono_Isotopic_Weight	576.156552
9549180	TPSA	40.5
72974	Structure_Complexity	1930
96135	Isotope_Atom_Count	0
6710776	Non-hydrogen_Atom_Count	37
6051	Non-hydrogen_Atom_Count	15
120096	Undefined_Bond_Stereo_Count	0
44392114	Covalent_Unit_Count	1
12647	Tautomer_Count	1
255680	Rotatable_Bond_Count	3
22831357	Mono_Isotopic_Weight	154.135765193
3955344	Hydrogen_Bond_Donor_Count	2
2735078	Structure_Complexity	52
15548	Undefined_Atom_Stereo_Count	1
9595287	Defined_Bond_Stereo_Count	1
11670791	Defined_Bond_Stereo_Count	0
7778	Undefined_Bond_Stereo_Count	0
14080	Total_Formal_Charge	0
44426760	Total_Formal_Charge	0
191841	Defined_Bond_Stereo_Count	0
15981397	Hydrogen_Bond_Acceptor_Count	5
90788020	Defined_Atom_Stereo_Count	0
94834	Total_Formal_Charge	0
162247	Undefined_Atom_Stereo_Count	0
10131132	Undefined_Bond_Stereo_Count	0
5659	Non-hydrogen_Atom_Count	22
24415	Undefined_Atom_Stereo_Count	0
2734898	Covalent_Unit_Count	3
15565266	Hydrogen_Bond_Acceptor_Count	2
84078	Total_Formal_Charge	0
66342	Molecular_Weight	292.3
1849	Non-hydrogen_Atom_Count	31
21983433	Hydrogen_Bond_Acceptor_Count	3
56841910	Defined_Atom_Stereo_Count	1
79319	Isotope_Atom_Count	0
71653	Defined_Atom_Stereo_Count	0
137700140	Hydrogen_Bond_Acceptor_Count	4
135722088	Total_Formal_Charge	0
5279172	Exact_Mass	388.13355396
78790	Tautomer_Count	1
2733673	Non-hydrogen_Atom_Count	21
106358	Undefined_Atom_Stereo_Count	0
5805243	Structure_Complexity	495
3000502	Isotope_Atom_Count	0
61295	Hydrogen_Bond_Donor_Count	0
163829	Molecular_Weight	1393.7
88142236	Total_Formal_Charge	0
15940170	Rotatable_Bond_Count	7
23675746	Undefined_Bond_Stereo_Count	0
2966	Defined_Bond_Stereo_Count	0
430795	TPSA	13
3184	Undefined_Bond_Stereo_Count	0
6273	Rotatable_Bond_Count	4
535197	Exact_Mass	98.073164938
59086459	Rotatable_Bond_Count	6
705978	Exact_Mass	342.14019912
7629	Covalent_Unit_Count	1
8654	Isotope_Atom_Count	0
23576	Non-hydrogen_Atom_Count	26
11908489	Rotatable_Bond_Count	4
45358975	Exact_Mass	347.95978
79960033	Isotope_Atom_Count	0
87809064	Undefined_Bond_Stereo_Count	0
21823	Undefined_Bond_Stereo_Count	0
70542877	Mono_Isotopic_Weight	97.027611728
25799416	Isotope_Atom_Count	0
137843	Rotatable_Bond_Count	2
7	Total_Formal_Charge	0
111727	Non-hydrogen_Atom_Count	14
85026	Hydrogen_Bond_Acceptor_Count	0
66753191	Undefined_Bond_Stereo_Count	1
5702690	Mono_Isotopic_Weight	497.90605924
76592	Undefined_Bond_Stereo_Count	0
68549	Defined_Bond_Stereo_Count	0
9808	Isotope_Atom_Count	0
97255	Hydrogen_Bond_Acceptor_Count	3
14795102	Exact_Mass	103.063328530
601163	Non-hydrogen_Atom_Count	16
54682830	Mono_Isotopic_Weight	250.08412354
21445949	Isotope_Atom_Count	0
54421	Defined_Bond_Stereo_Count	0
7151	Defined_Atom_Stereo_Count	0
6918405	Structure_Complexity	517
76964582	Isotope_Atom_Count	0
9817381	Isotope_Atom_Count	0
34023	Non-hydrogen_Atom_Count	10
135410875	TPSA	187
40474	Exact_Mass	393.802494
22096197	Covalent_Unit_Count	1
136316	Mono_Isotopic_Weight	110.109550447
266934	Undefined_Bond_Stereo_Count	0
330654	Non-hydrogen_Atom_Count	7
12688299	Hydrogen_Bond_Donor_Count	1
19001504	Undefined_Bond_Stereo_Count	0
518469	TPSA	46.2
299664	TPSA	94.1
6440728	TPSA	50.9
439744	Isotope_Atom_Count	0
13501022	Defined_Bond_Stereo_Count	0
8176	TPSA	26.3
4618	Defined_Atom_Stereo_Count	0
10125362	Rotatable_Bond_Count	7
4646	Non-hydrogen_Atom_Count	17
5281912	Covalent_Unit_Count	1
25240297	Covalent_Unit_Count	1
155810229	Defined_Bond_Stereo_Count	0
68976	Molecular_Weight	153.95
164700	Undefined_Atom_Stereo_Count	0
135121972	TPSA	96.4
4117	XLogP3	2.6
18542136	Defined_Bond_Stereo_Count	0
19773393	Covalent_Unit_Count	1
1374121	Non-hydrogen_Atom_Count	33
13573329	Undefined_Atom_Stereo_Count	2
56955180	Covalent_Unit_Count	1
676454	Non-hydrogen_Atom_Count	10
74093	Undefined_Atom_Stereo_Count	0
54196276	Rotatable_Bond_Count	3
5556	Rotatable_Bond_Count	1
85294873	Defined_Bond_Stereo_Count	0
59283	Rotatable_Bond_Count	2
4845	Defined_Atom_Stereo_Count	0
2724279	Hydrogen_Bond_Acceptor_Count	3
85296	Tautomer_Count	1
146345448	Isotope_Atom_Count	0
3515	Defined_Bond_Stereo_Count	0
12233	Structure_Complexity	42.6
76344	Structure_Complexity	248
3091	Undefined_Bond_Stereo_Count	0
94418	Covalent_Unit_Count	1
23545756	TPSA	24.4
5094381	Undefined_Atom_Stereo_Count	0
55515	Undefined_Bond_Stereo_Count	0
5484736	Undefined_Bond_Stereo_Count	0
135437	Undefined_Atom_Stereo_Count	0
219078	Rotatable_Bond_Count	6
12936730	Isotope_Atom_Count	0
204874	Total_Formal_Charge	0
33802	Undefined_Atom_Stereo_Count	0
6918388	Isotope_Atom_Count	0
13225427	Hydrogen_Bond_Donor_Count	1
14297260	Undefined_Bond_Stereo_Count	0
6918788	Hydrogen_Bond_Donor_Count	1
136247302	Covalent_Unit_Count	1
24856436	Mono_Isotopic_Weight	500.26482229
6665	Undefined_Bond_Stereo_Count	0
21977064	Structure_Complexity	81.6
69215	Undefined_Bond_Stereo_Count	0
669846	Undefined_Atom_Stereo_Count	0
283	Undefined_Bond_Stereo_Count	0
9997	Structure_Complexity	67.1
124525065	Rotatable_Bond_Count	0
57402652	Undefined_Atom_Stereo_Count	0
11540045	Defined_Atom_Stereo_Count	0
20129993	Defined_Bond_Stereo_Count	0
18990949	Exact_Mass	101.047678466
16280	Structure_Complexity	212
85608268	Isotope_Atom_Count	0
146474256	Hydrogen_Bond_Acceptor_Count	2
907178	Rotatable_Bond_Count	7
2762906	Undefined_Bond_Stereo_Count	0
129396765	Isotope_Atom_Count	0
65724	Total_Formal_Charge	0
11954	Mono_Isotopic_Weight	135.068413911
17894542	Isotope_Atom_Count	0
135989	Total_Formal_Charge	0
2734247	Mono_Isotopic_Weight	316.10684813
18369938	Total_Formal_Charge	0
947097	Molecular_Weight	337.4
10338	Hydrogen_Bond_Acceptor_Count	2
6433427	Defined_Bond_Stereo_Count	1
68764493	Hydrogen_Bond_Donor_Count	1
54434340	Isotope_Atom_Count	0
26035	XLogP3	4.3
8571	Defined_Atom_Stereo_Count	0
519849	Covalent_Unit_Count	1
91801202	Undefined_Atom_Stereo_Count	0
25123	Molecular_Weight	162.23
63089	Hydrogen_Bond_Acceptor_Count	0
6993466	TPSA	40.1
129769827	Defined_Bond_Stereo_Count	0
162148	Rotatable_Bond_Count	2
448513	XLogP3	0.4
71441408	XLogP3-AA	1.6
38013	XLogP3	7.2
57357187	Hydrogen_Bond_Donor_Count	1
3033992	Undefined_Atom_Stereo_Count	0
228131	Non-hydrogen_Atom_Count	12
135612794	Defined_Bond_Stereo_Count	0
10560336	Undefined_Atom_Stereo_Count	0
71655	Rotatable_Bond_Count	2
5351257	Mono_Isotopic_Weight	354.07395278
92829	Rotatable_Bond_Count	5
87293	Undefined_Atom_Stereo_Count	0
103074361	Non-hydrogen_Atom_Count	7
40153	XLogP3-AA	2.8
5498	Molecular_Weight	318.4
56134	Defined_Atom_Stereo_Count	0
5464265	Covalent_Unit_Count	1
152943	Mono_Isotopic_Weight	379.17433553
13751	Covalent_Unit_Count	1
123292394	Undefined_Atom_Stereo_Count	2
17671	Rotatable_Bond_Count	13
86359	Hydrogen_Bond_Acceptor_Count	0
1483	Non-hydrogen_Atom_Count	10
22447183	Rotatable_Bond_Count	6
28506	Hydrogen_Bond_Acceptor_Count	2
14829	Total_Formal_Charge	0
197712	Mono_Isotopic_Weight	378.15795719
87940821	Isotope_Atom_Count	0
6419978	TPSA	77.1
135802074	Molecular_Weight	601.6
88406	Mono_Isotopic_Weight	144.078644241
22099238	Hydrogen_Bond_Donor_Count	2
101589314	Undefined_Atom_Stereo_Count	2
12260467	XLogP3-AA	1.3
80717	Mono_Isotopic_Weight	260.01030715
756126	Hydrogen_Bond_Donor_Count	0
54087622	Hydrogen_Bond_Donor_Count	1
24764	Defined_Atom_Stereo_Count	0
76223462	Hydrogen_Bond_Acceptor_Count	2
6918249	Rotatable_Bond_Count	1
28772	Molecular_Weight	262.30
49750	TPSA	41.6
1219	Isotope_Atom_Count	0
1136	Total_Formal_Charge	0
32247	XLogP3-AA	4.4
627	Rotatable_Bond_Count	5
13562	Undefined_Bond_Stereo_Count	0
6918160	Isotope_Atom_Count	0
20011	Molecular_Weight	251.15
452498	Total_Formal_Charge	0
2210	Non-hydrogen_Atom_Count	24
23730921	XLogP3-AA	0.3
91986	Hydrogen_Bond_Acceptor_Count	1
12304501	Undefined_Atom_Stereo_Count	0
53864533	Defined_Atom_Stereo_Count	0
1551553	Tautomer_Count	1
85364156	Hydrogen_Bond_Acceptor_Count	8
20852	Defined_Bond_Stereo_Count	0
13740361	Defined_Bond_Stereo_Count	0
6433695	Hydrogen_Bond_Donor_Count	1
70400351	Non-hydrogen_Atom_Count	7
13296868	Molecular_Weight	120.10
158432	Undefined_Atom_Stereo_Count	0
13883023	Defined_Bond_Stereo_Count	0
114681	Rotatable_Bond_Count	1
11658655	XLogP3-AA	3
79224	Hydrogen_Bond_Donor_Count	0
472172	Covalent_Unit_Count	1
3917956	Structure_Complexity	134
153665501	Molecular_Weight	108.18
14415253	Undefined_Bond_Stereo_Count	0
543909	TPSA	20.2
90235	TPSA	70.3
154478098	Rotatable_Bond_Count	0
12028	Defined_Atom_Stereo_Count	0
25007799	Molecular_Weight	411.5
5461056	Undefined_Atom_Stereo_Count	1
441332	Defined_Atom_Stereo_Count	5
31205	Hydrogen_Bond_Donor_Count	0
81141	Covalent_Unit_Count	1
8612	XLogP3	2.9
155491122	Undefined_Atom_Stereo_Count	0
453077	Total_Formal_Charge	0
71117	Hydrogen_Bond_Acceptor_Count	5
13399	Isotope_Atom_Count	0
60490	Tautomer_Count	2
54686261	Undefined_Atom_Stereo_Count	0
7761	Hydrogen_Bond_Acceptor_Count	4
403646	Mono_Isotopic_Weight	330.03678
73919	Hydrogen_Bond_Acceptor_Count	1
21997268	Undefined_Bond_Stereo_Count	0
159550	Undefined_Bond_Stereo_Count	1
126713698	Undefined_Atom_Stereo_Count	0
69342090	Hydrogen_Bond_Acceptor_Count	2
12532	Rotatable_Bond_Count	15
11676068	Mono_Isotopic_Weight	417.1607901
20467	Defined_Atom_Stereo_Count	0
13877	Structure_Complexity	102
23448613	Undefined_Atom_Stereo_Count	0
21185399	Exact_Mass	114.104465066
1016	Defined_Atom_Stereo_Count	0
126963444	TPSA	356
57438703	Undefined_Atom_Stereo_Count	0
12541465	Rotatable_Bond_Count	2
13427979	Undefined_Atom_Stereo_Count	0
32731	Mono_Isotopic_Weight	336.04706368
48276	Undefined_Atom_Stereo_Count	2
71857	Non-hydrogen_Atom_Count	27
24199050	Defined_Bond_Stereo_Count	0
21779642	Hydrogen_Bond_Donor_Count	0
104904	Mono_Isotopic_Weight	199.12084340
136675526	Structure_Complexity	524
98876	TPSA	127
8221	Total_Formal_Charge	0
15190	Defined_Bond_Stereo_Count	0
58265621	Isotope_Atom_Count	0
22612	Undefined_Bond_Stereo_Count	0
68846	Isotope_Atom_Count	0
12397138	Defined_Bond_Stereo_Count	0
12541465	Isotope_Atom_Count	0
12364	Hydrogen_Bond_Donor_Count	2
1241420	TPSA	66.4
69561	Hydrogen_Bond_Donor_Count	3
87112	Rotatable_Bond_Count	1
2081	Molecular_Weight	255.74
135846130	Exact_Mass	1329.572150
17652	Defined_Bond_Stereo_Count	0
29455	Isotope_Atom_Count	0
24950594	Undefined_Bond_Stereo_Count	0
44259	Defined_Bond_Stereo_Count	0
16757678	Covalent_Unit_Count	1
12784	Defined_Atom_Stereo_Count	0
76223860	Defined_Bond_Stereo_Count	0
21864369	Exact_Mass	1483.406877
59390227	XLogP3-AA	8.1
68236	Undefined_Bond_Stereo_Count	0
68740500	Undefined_Bond_Stereo_Count	0
1068	TPSA	25.3
3092	Hydrogen_Bond_Donor_Count	1
206311	Defined_Atom_Stereo_Count	2
65871	Mono_Isotopic_Weight	348.09708827
120738	Non-hydrogen_Atom_Count	19
3269	Defined_Bond_Stereo_Count	0
54582822	Total_Formal_Charge	0
53276	Defined_Bond_Stereo_Count	0
134160331	Rotatable_Bond_Count	12
12316	Undefined_Atom_Stereo_Count	0
156588466	Exact_Mass	709.012063
5702068	Undefined_Atom_Stereo_Count	3
21713016	Structure_Complexity	70.1
68022407	Covalent_Unit_Count	1
2723922	TPSA	23.1
66783827	Structure_Complexity	46.2
561488	Total_Formal_Charge	0
86873	Undefined_Atom_Stereo_Count	1
49862691	Covalent_Unit_Count	1
9855350	TPSA	710
73948	Non-hydrogen_Atom_Count	6
91435	Rotatable_Bond_Count	0
133126687	Undefined_Bond_Stereo_Count	0
19127	Exact_Mass	265.16779360
390658	Covalent_Unit_Count	1
12146	Tautomer_Count	1
5284534	Defined_Atom_Stereo_Count	17
471583	Structure_Complexity	341
153665501	TPSA	0
11126230	TPSA	29.5
749823	Defined_Bond_Stereo_Count	0
5364471	Total_Formal_Charge	0
46936750	Hydrogen_Bond_Acceptor_Count	9
176015	Total_Formal_Charge	0
12692921	Isotope_Atom_Count	0
3916	Covalent_Unit_Count	1
7737	Hydrogen_Bond_Donor_Count	2
63954	Structure_Complexity	700
10197622	Exact_Mass	87.068413911
517273	Defined_Atom_Stereo_Count	0
2073	Molecular_Weight	326.4
441979	TPSA	53.4
5312804	Undefined_Atom_Stereo_Count	0
9869929	Defined_Atom_Stereo_Count	1
5479	Total_Formal_Charge	0
25199597	Mono_Isotopic_Weight	358.97319
57396213	TPSA	102
21997268	Exact_Mass	534.36688732
39676	TPSA	46.6
62752	Tautomer_Count	21
17754007	Defined_Bond_Stereo_Count	0
449517	Undefined_Atom_Stereo_Count	0
53302268	Rotatable_Bond_Count	1
5284542	Non-hydrogen_Atom_Count	19
13190463	Hydrogen_Bond_Acceptor_Count	2
24825262	Covalent_Unit_Count	1
7495	Covalent_Unit_Count	1
57393918	Exact_Mass	389.9996542
168707	Hydrogen_Bond_Acceptor_Count	4
13194811	Rotatable_Bond_Count	3
6589	Total_Formal_Charge	0
645691	Defined_Atom_Stereo_Count	0
11073353	Rotatable_Bond_Count	1
5355853	Rotatable_Bond_Count	7
16757820	TPSA	141
12275362	Non-hydrogen_Atom_Count	8
102063093	Mono_Isotopic_Weight	168.115029749
16760159	Structure_Complexity	387
19385	Mono_Isotopic_Weight	209.02589765
28332	Hydrogen_Bond_Acceptor_Count	6
134694302	Defined_Bond_Stereo_Count	0
543562	Structure_Complexity	98.3
121249	Tautomer_Count	6
129642209	Covalent_Unit_Count	2
12836334	Non-hydrogen_Atom_Count	8
57955	Non-hydrogen_Atom_Count	25
67795854	Rotatable_Bond_Count	4
21661235	Isotope_Atom_Count	0
101513786	TPSA	110
58792515	Structure_Complexity	139
24004	XLogP3	1.8
131673820	Isotope_Atom_Count	0
107952	Structure_Complexity	286
2501	Molecular_Weight	551.7
63419	Covalent_Unit_Count	1
10146470	Tautomer_Count	2
47372	Hydrogen_Bond_Donor_Count	0
448043	Isotope_Atom_Count	0
117488	Structure_Complexity	330
637894	Non-hydrogen_Atom_Count	7
10898650	Hydrogen_Bond_Donor_Count	0
32345	Isotope_Atom_Count	0
11951725	Rotatable_Bond_Count	4
46216142	Rotatable_Bond_Count	3
5068681	Mono_Isotopic_Weight	105.078978594
58881	Structure_Complexity	452
22899343	Non-hydrogen_Atom_Count	8
216261	Covalent_Unit_Count	1
5770	Structure_Complexity	1000
2812423	Exact_Mass	380.20123960
10402	Defined_Bond_Stereo_Count	0
2063927	Covalent_Unit_Count	1
124844	Isotope_Atom_Count	0
91087911	Isotope_Atom_Count	0
46936582	Total_Formal_Charge	0
590845	Total_Formal_Charge	0
13180929	Exact_Mass	108.068748264
5352974	TPSA	26.3
11271730	TPSA	6.2
18626418	Mono_Isotopic_Weight	118.062994177
543096	Rotatable_Bond_Count	1
71481106	XLogP3-AA	3.6
1951	Rotatable_Bond_Count	10
67374621	Non-hydrogen_Atom_Count	30
87953	Hydrogen_Bond_Donor_Count	0
123415454	Structure_Complexity	86.2
7121	Molecular_Weight	182.17
41114	Hydrogen_Bond_Donor_Count	2
135398514	Isotope_Atom_Count	0
89613815	Undefined_Bond_Stereo_Count	1
4579	Exact_Mass	428.32904526
1613	Non-hydrogen_Atom_Count	29
71455485	Defined_Bond_Stereo_Count	0
3631	Defined_Atom_Stereo_Count	0
12364784	XLogP3-AA	0.7
70637	Mono_Isotopic_Weight	222.972232
5281616	Isotope_Atom_Count	0
123373137	Defined_Atom_Stereo_Count	0
135546259	Non-hydrogen_Atom_Count	39
40299	Hydrogen_Bond_Donor_Count	2
71401	Hydrogen_Bond_Acceptor_Count	1
53321035	Undefined_Atom_Stereo_Count	0
59850618	Defined_Bond_Stereo_Count	0
25188420	Undefined_Bond_Stereo_Count	0
60999	Defined_Bond_Stereo_Count	0
24266	Non-hydrogen_Atom_Count	7
69051	TPSA	45.8
91496	Mono_Isotopic_Weight	152.120115130
65182	Hydrogen_Bond_Acceptor_Count	4
21709689	TPSA	0
124823816	Structure_Complexity	634
22763696	Hydrogen_Bond_Acceptor_Count	2
882889	Defined_Atom_Stereo_Count	0
91742	Rotatable_Bond_Count	7
10197619	Non-hydrogen_Atom_Count	6
6419965	Tautomer_Count	3
223407	Undefined_Atom_Stereo_Count	7
20648899	Non-hydrogen_Atom_Count	8
11815284	Undefined_Atom_Stereo_Count	0
35841	Hydrogen_Bond_Acceptor_Count	1
10164215	Covalent_Unit_Count	1
67320864	Mono_Isotopic_Weight	113.047678466
21185116	Rotatable_Bond_Count	0
25904	Covalent_Unit_Count	1
10560	Hydrogen_Bond_Donor_Count	1
2761399	Non-hydrogen_Atom_Count	8
13964915	Undefined_Atom_Stereo_Count	0
12602	Undefined_Bond_Stereo_Count	0
12103	Non-hydrogen_Atom_Count	9
135461001	Exact_Mass	433.13459597
96327587	Rotatable_Bond_Count	6
5281877	TPSA	134
9270	Tautomer_Count	1
41124	Mono_Isotopic_Weight	140.120115130
86836	Molecular_Weight	217.22
92831	Total_Formal_Charge	0
14079045	Rotatable_Bond_Count	7
81353	Rotatable_Bond_Count	5
23029	Mono_Isotopic_Weight	217.94979
271	Total_Formal_Charge	2
143946	Defined_Bond_Stereo_Count	0
79117672	Mono_Isotopic_Weight	111.068413911
7236	Tautomer_Count	1
4525	XLogP3-AA	0.9
16659682	Mono_Isotopic_Weight	408.04580
155903721	Mono_Isotopic_Weight	1347.582715
16020938	Hydrogen_Bond_Donor_Count	1
10126799	Defined_Bond_Stereo_Count	0
54475	Undefined_Bond_Stereo_Count	0
41353	Undefined_Bond_Stereo_Count	0
158524	Rotatable_Bond_Count	14
2766	Hydrogen_Bond_Donor_Count	2
114961	Hydrogen_Bond_Acceptor_Count	5
24892716	Defined_Bond_Stereo_Count	3
53404864	Undefined_Bond_Stereo_Count	1
59503411	Rotatable_Bond_Count	1
85252	Molecular_Weight	160.29
14505	Undefined_Atom_Stereo_Count	0
12637126	Undefined_Bond_Stereo_Count	0
9217	Tautomer_Count	1
18370	Rotatable_Bond_Count	1
10192563	Tautomer_Count	1
98175	TPSA	27.7
23702	Hydrogen_Bond_Donor_Count	5
701083	TPSA	95.6
6328657	Isotope_Atom_Count	0
135457035	Mono_Isotopic_Weight	303.1250733
94811	Covalent_Unit_Count	1
15510	Molecular_Weight	102.20
31356	Rotatable_Bond_Count	12
13331108	Defined_Bond_Stereo_Count	0
68604	Defined_Bond_Stereo_Count	0
10132844	Isotope_Atom_Count	0
3450	Non-hydrogen_Atom_Count	36
87455238	Non-hydrogen_Atom_Count	13
58154	Rotatable_Bond_Count	4
13381	Rotatable_Bond_Count	7
8612	Hydrogen_Bond_Donor_Count	1
6437861	Defined_Bond_Stereo_Count	1
41170	Tautomer_Count	1
44629596	Rotatable_Bond_Count	11
71489	Mono_Isotopic_Weight	416.14633
11278075	Undefined_Bond_Stereo_Count	0
520744	XLogP3-AA	2.5
14459015	Hydrogen_Bond_Acceptor_Count	5
448372	Covalent_Unit_Count	1
90931176	Molecular_Weight	96.17
57201545	Structure_Complexity	79.8
52949373	TPSA	111
222572	XLogP3-AA	6
44129647	Mono_Isotopic_Weight	348.11035554
6451	Molecular_Weight	698.0
87187801	Molecular_Weight	112.17
16050834	Hydrogen_Bond_Donor_Count	1
97736	Exact_Mass	239.094628657
45271370	Hydrogen_Bond_Donor_Count	3
54260	Molecular_Weight	317.5
7902	Covalent_Unit_Count	1
23207045	Covalent_Unit_Count	1
68837	Mono_Isotopic_Weight	513.16349606
133637885	Total_Formal_Charge	0
59918	Defined_Bond_Stereo_Count	0
69656	Tautomer_Count	1
14201285	TPSA	35.5
86101	TPSA	50.8
49852363	Structure_Complexity	260
49132	Rotatable_Bond_Count	5
101694728	Mono_Isotopic_Weight	450.01256932
89219185	Undefined_Atom_Stereo_Count	0
91185	Rotatable_Bond_Count	9
117239	Non-hydrogen_Atom_Count	11
71196	Undefined_Atom_Stereo_Count	0
284980	Isotope_Atom_Count	0
15926139	XLogP3-AA	1.1
69004	Covalent_Unit_Count	1
25379	Total_Formal_Charge	0
1083	Covalent_Unit_Count	1
15034633	Hydrogen_Bond_Donor_Count	0
13196775	Covalent_Unit_Count	1
729	Exact_Mass	169.99802494
38200	Mono_Isotopic_Weight	439.745736
11476710	Defined_Bond_Stereo_Count	0
66354	Mono_Isotopic_Weight	83.048347172
3095	Exact_Mass	377.19909372
357	Hydrogen_Bond_Acceptor_Count	0
64143	Rotatable_Bond_Count	10
101928367	Covalent_Unit_Count	1
10942665	Rotatable_Bond_Count	0
6604866	XLogP3	2.7
9566269	TPSA	118
12991988	Molecular_Weight	396.4
9869142	Structure_Complexity	751
51030896	TPSA	117
16722832	Molecular_Weight	509.7
53920622	Mono_Isotopic_Weight	99.032028402
72200292	Isotope_Atom_Count	0
76223	Hydrogen_Bond_Acceptor_Count	6
20710	Non-hydrogen_Atom_Count	22
20726704	Isotope_Atom_Count	0
56977978	Defined_Atom_Stereo_Count	0
3170	Isotope_Atom_Count	0
164550	Tautomer_Count	3
66008	Hydrogen_Bond_Donor_Count	3
50857	Exact_Mass	180.126263138
5329047	Non-hydrogen_Atom_Count	29
10802	Isotope_Atom_Count	0
54925	Defined_Atom_Stereo_Count	0
107735	Hydrogen_Bond_Acceptor_Count	3
82134	Non-hydrogen_Atom_Count	13
75240	TPSA	38
15204529	Rotatable_Bond_Count	0
58357553	Rotatable_Bond_Count	1
7716	Structure_Complexity	133
43157	Covalent_Unit_Count	1
19660	Hydrogen_Bond_Donor_Count	0
78802	Molecular_Weight	226.10
88483	Hydrogen_Bond_Acceptor_Count	2
54567078	Exact_Mass	101.084063974
91248258	Undefined_Atom_Stereo_Count	0
9871419	Isotope_Atom_Count	0
2737121	Defined_Bond_Stereo_Count	0
13034799	Isotope_Atom_Count	0
57400316	TPSA	129
45356963	Total_Formal_Charge	0
31297	Molecular_Weight	114.55
16329	Mono_Isotopic_Weight	231.98876
1888	Mono_Isotopic_Weight	352.22497412
90877284	Non-hydrogen_Atom_Count	8
93146	Hydrogen_Bond_Donor_Count	2
153812620	Undefined_Bond_Stereo_Count	0
24229456	Exact_Mass	108.032362755
16129685	Tautomer_Count	1000
9170	Hydrogen_Bond_Acceptor_Count	0
158882	Isotope_Atom_Count	0
89651175	Defined_Bond_Stereo_Count	0
54177139	Defined_Atom_Stereo_Count	0
26360	Hydrogen_Bond_Donor_Count	1
15559706	Hydrogen_Bond_Donor_Count	0
752	Mono_Isotopic_Weight	106.02660867
2398	Exact_Mass	384.15862589
984170	Rotatable_Bond_Count	3
890718	Undefined_Atom_Stereo_Count	0
20791685	Exact_Mass	111.079647300
119607	Undefined_Bond_Stereo_Count	0
13260750	XLogP3-AA	0.6
6477715	Isotope_Atom_Count	0
8090	TPSA	26.3
522834	Hydrogen_Bond_Donor_Count	0
54385745	Undefined_Atom_Stereo_Count	0
7017101	Hydrogen_Bond_Donor_Count	0
69442897	Hydrogen_Bond_Donor_Count	0
567743	Defined_Bond_Stereo_Count	0
80472094	Undefined_Bond_Stereo_Count	0
5282452	Mono_Isotopic_Weight	421.16893641
85645107	Total_Formal_Charge	0
11750009	Non-hydrogen_Atom_Count	29
98043898	Mono_Isotopic_Weight	416.32904526
59896759	Molecular_Weight	225.15
76059980	Rotatable_Bond_Count	1
116706	Hydrogen_Bond_Acceptor_Count	4
12347357	Structure_Complexity	98.7
30140	Defined_Bond_Stereo_Count	0
24758983	Rotatable_Bond_Count	7
19935912	Structure_Complexity	209
67807	Defined_Atom_Stereo_Count	0
155290	Total_Formal_Charge	0
1954	Covalent_Unit_Count	1
66494	Total_Formal_Charge	0
17150	Total_Formal_Charge	0
20417	Non-hydrogen_Atom_Count	8
5464562	Rotatable_Bond_Count	10
21851	Structure_Complexity	175
535857	TPSA	46
101115582	Structure_Complexity	94.6
9914412	Defined_Atom_Stereo_Count	0
98500	Defined_Bond_Stereo_Count	0
10991489	Hydrogen_Bond_Acceptor_Count	11
3355	Non-hydrogen_Atom_Count	28
54704426	Molecular_Weight	480.9
441337	Undefined_Bond_Stereo_Count	0
139942026	Undefined_Bond_Stereo_Count	0
68013637	Defined_Atom_Stereo_Count	4
24916869	Hydrogen_Bond_Donor_Count	3
82502376	Isotope_Atom_Count	0
11584	Defined_Atom_Stereo_Count	0
54023646	Undefined_Atom_Stereo_Count	1
182176	Tautomer_Count	3
6331630	Total_Formal_Charge	0
2079	Total_Formal_Charge	0
11228765	Isotope_Atom_Count	0
92660	Molecular_Weight	246.09
11750009	Rotatable_Bond_Count	5
6917656	Undefined_Bond_Stereo_Count	0
94320	Isotope_Atom_Count	0
35751	Molecular_Weight	261.32
10938769	Isotope_Atom_Count	0
5489029	Isotope_Atom_Count	0
54003766	Hydrogen_Bond_Donor_Count	0
5354284	Total_Formal_Charge	0
129848458	Molecular_Weight	382.5
7017	Total_Formal_Charge	0
129720213	Undefined_Atom_Stereo_Count	0
57074	Isotope_Atom_Count	0
123809	Hydrogen_Bond_Donor_Count	11
11248738	Rotatable_Bond_Count	14
6420130	Isotope_Atom_Count	0
16454	Defined_Atom_Stereo_Count	0
64692	Hydrogen_Bond_Donor_Count	1
54936	Total_Formal_Charge	0
136809	Defined_Bond_Stereo_Count	0
6433417	Isotope_Atom_Count	0
6440397	Mono_Isotopic_Weight	312.04813196
2193	Molecular_Weight	286.4
7148	Exact_Mass	134.073164938
706	Hydrogen_Bond_Acceptor_Count	7
15008962	Hydrogen_Bond_Donor_Count	0
90181814	Hydrogen_Bond_Acceptor_Count	2
430245	Structure_Complexity	467
13319222	Exact_Mass	103.099714038
894468	Rotatable_Bond_Count	4
50491	Undefined_Atom_Stereo_Count	2
88534608	Non-hydrogen_Atom_Count	8
2051	TPSA	56.3
129508	Rotatable_Bond_Count	5
5365125	Undefined_Atom_Stereo_Count	2
13611194	Hydrogen_Bond_Donor_Count	0
6931560	Hydrogen_Bond_Donor_Count	1
107202	Tautomer_Count	1
62725	Molecular_Weight	141.24
11228026	Isotope_Atom_Count	0
49858375	Molecular_Weight	356.4
876	Defined_Bond_Stereo_Count	0
67215	Covalent_Unit_Count	1
53960	Mono_Isotopic_Weight	296.1655411
64617	Undefined_Bond_Stereo_Count	0
397	Undefined_Bond_Stereo_Count	0
170944	Mono_Isotopic_Weight	346.95101785
415868	Non-hydrogen_Atom_Count	25
5473	Mono_Isotopic_Weight	318.15277518
35343	Non-hydrogen_Atom_Count	10
542152	Rotatable_Bond_Count	2
123097	Covalent_Unit_Count	1
46871497	XLogP3-AA	0.6
18032	TPSA	74.9
56670457	Structure_Complexity	543
18156	Hydrogen_Bond_Donor_Count	0
68807700	Structure_Complexity	55.8
84647703	Hydrogen_Bond_Donor_Count	2
154731207	Undefined_Bond_Stereo_Count	0
5362894	Structure_Complexity	95.4
13207	Total_Formal_Charge	0
711	Molecular_Weight	458.4
6852167	Hydrogen_Bond_Donor_Count	3
66245	Structure_Complexity	330
66369	Non-hydrogen_Atom_Count	3
230076	Mono_Isotopic_Weight	1084.47265329
62816	Isotope_Atom_Count	0
57335384	Undefined_Atom_Stereo_Count	0
53319416	Defined_Atom_Stereo_Count	0
69532978	Defined_Bond_Stereo_Count	0
18730058	Covalent_Unit_Count	1
65427	Rotatable_Bond_Count	1
9819043	Non-hydrogen_Atom_Count	22
11094575	Defined_Atom_Stereo_Count	0
467825	Exact_Mass	437.11218768
126970904	Defined_Atom_Stereo_Count	0
2408	TPSA	52.9
57551933	Defined_Atom_Stereo_Count	0
9568512	Defined_Bond_Stereo_Count	1
73673720	Mono_Isotopic_Weight	595.33564676
77781	Covalent_Unit_Count	1
7555	Defined_Bond_Stereo_Count	0
28166	Structure_Complexity	155
143331072	Undefined_Bond_Stereo_Count	0
13117014	TPSA	35.3
11597936	Hydrogen_Bond_Acceptor_Count	7
6328152	Tautomer_Count	1
5352435	Total_Formal_Charge	0
5281875	Non-hydrogen_Atom_Count	35
2837530	Hydrogen_Bond_Acceptor_Count	3
52944681	XLogP3-AA	2.8
27492	Defined_Bond_Stereo_Count	0
15993	Non-hydrogen_Atom_Count	30
44717	Undefined_Bond_Stereo_Count	0
67710	Undefined_Bond_Stereo_Count	0
6262	Rotatable_Bond_Count	4
1615208	Hydrogen_Bond_Acceptor_Count	1
12594098	Undefined_Atom_Stereo_Count	3
6432729	Molecular_Weight	388.7
70106	XLogP3-AA	1.3
17996772	Covalent_Unit_Count	1
9840857	Hydrogen_Bond_Acceptor_Count	3
4592	Defined_Atom_Stereo_Count	0
16219	Isotope_Atom_Count	0
118689592	Structure_Complexity	1220
5358941	Total_Formal_Charge	0
12760725	Total_Formal_Charge	0
102131130	Undefined_Atom_Stereo_Count	1
5544	Mono_Isotopic_Weight	394.17916674
71679077	Undefined_Bond_Stereo_Count	0
10868	Total_Formal_Charge	0
62267	Non-hydrogen_Atom_Count	15
72201	Tautomer_Count	3
135398627	Defined_Atom_Stereo_Count	9
57396473	Isotope_Atom_Count	0
999	Non-hydrogen_Atom_Count	10
7284	Total_Formal_Charge	0
122522140	Non-hydrogen_Atom_Count	12
40469377	Total_Formal_Charge	1
9046	Defined_Atom_Stereo_Count	5
19938785	Exact_Mass	112.088815002
65920	Undefined_Bond_Stereo_Count	0
129734884	XLogP3-AA	1
58488970	Hydrogen_Bond_Acceptor_Count	0
63079	Undefined_Bond_Stereo_Count	0
82452	Molecular_Weight	152.19
123834	Defined_Atom_Stereo_Count	0
10820489	Undefined_Atom_Stereo_Count	0
16220118	Rotatable_Bond_Count	4
10989	Mono_Isotopic_Weight	158.167065321
81846	Undefined_Atom_Stereo_Count	0
15801221	Undefined_Bond_Stereo_Count	0
23377620	Defined_Atom_Stereo_Count	0
172285	Isotope_Atom_Count	0
153754883	Molecular_Weight	114.06
121025	Total_Formal_Charge	0
4278369	Defined_Atom_Stereo_Count	0
139032508	Exact_Mass	45.0083312
11789162	Mono_Isotopic_Weight	112.088815002
44565777	Exact_Mass	262.15420922
446912	Total_Formal_Charge	0
15204529	XLogP3-AA	1.1
53738849	Hydrogen_Bond_Acceptor_Count	3
21220	TPSA	137
2782351	Isotope_Atom_Count	0
54418364	Covalent_Unit_Count	1
19774759	Structure_Complexity	109
9840851	Molecular_Weight	339.4
11232421	XLogP3-AA	5.2
3522273	Molecular_Weight	449.6
126624267	TPSA	190
3482402	XLogP3-AA	2.4
119025724	Non-hydrogen_Atom_Count	43
12673114	TPSA	20.2
68603	Exact_Mass	428.1997337
23253567	Defined_Atom_Stereo_Count	4
11819055	Hydrogen_Bond_Donor_Count	0
67376285	Rotatable_Bond_Count	5
22281424	Hydrogen_Bond_Donor_Count	0
12724622	TPSA	20.2
163090688	Undefined_Atom_Stereo_Count	7
69341863	Isotope_Atom_Count	0
3683	Hydrogen_Bond_Donor_Count	1
15969	Tautomer_Count	2
517058	Mono_Isotopic_Weight	163.9407790
44571221	Structure_Complexity	570
13240378	Molecular_Weight	150.24
2521	Non-hydrogen_Atom_Count	45
17569	Non-hydrogen_Atom_Count	22
10920480	Hydrogen_Bond_Donor_Count	0
5378	Covalent_Unit_Count	1
9160	Hydrogen_Bond_Donor_Count	1
12673	Covalent_Unit_Count	1
36967	Isotope_Atom_Count	0
11454753	Total_Formal_Charge	0
7979	Covalent_Unit_Count	1
2468	Tautomer_Count	5
5283344	Non-hydrogen_Atom_Count	11
11294	Isotope_Atom_Count	0
9889168	TPSA	0
16686268	Undefined_Bond_Stereo_Count	0
87700	Hydrogen_Bond_Donor_Count	0
90420227	Hydrogen_Bond_Donor_Count	1
85906	Total_Formal_Charge	0
20336998	Mono_Isotopic_Weight	101.120449483
80009	Isotope_Atom_Count	0
12696419	Defined_Atom_Stereo_Count	0
4643	Molecular_Weight	362.5
68026923	Molecular_Weight	95.14
54071	Rotatable_Bond_Count	5
2157	Defined_Atom_Stereo_Count	0
21907926	Rotatable_Bond_Count	0
53876717	TPSA	26.3
58907754	XLogP3-AA	2.5
11338033	Structure_Complexity	479
2810830	Isotope_Atom_Count	0
58087	Covalent_Unit_Count	1
1081	Hydrogen_Bond_Acceptor_Count	5
20486748	Defined_Bond_Stereo_Count	0
140519105	Molecular_Weight	97.12
21975	Undefined_Bond_Stereo_Count	0
107758	Hydrogen_Bond_Acceptor_Count	18
15620	Structure_Complexity	27.4
11332423	Defined_Atom_Stereo_Count	0
48288	Covalent_Unit_Count	1
9909623	Covalent_Unit_Count	1
10401	Hydrogen_Bond_Acceptor_Count	2
409347	Structure_Complexity	363
22983309	Non-hydrogen_Atom_Count	8
60246	Molecular_Weight	373.9
62382	Covalent_Unit_Count	1
14989482	Hydrogen_Bond_Acceptor_Count	2
21303152	XLogP3-AA	0
5107	Undefined_Atom_Stereo_Count	2
66609	Defined_Bond_Stereo_Count	0
33503	Non-hydrogen_Atom_Count	15
11308	Hydrogen_Bond_Acceptor_Count	5
10118131	XLogP3-AA	1.3
3036931	Isotope_Atom_Count	0
68973	Exact_Mass	48.012887157
15697370	Molecular_Weight	409.4
5355019	Undefined_Bond_Stereo_Count	0
114739	Isotope_Atom_Count	0
130525028	Covalent_Unit_Count	1
84912	Hydrogen_Bond_Acceptor_Count	3
11600642	Mono_Isotopic_Weight	198.05282342
24802277	Covalent_Unit_Count	1
23532160	Defined_Bond_Stereo_Count	0
61032	Rotatable_Bond_Count	2
12850587	Undefined_Atom_Stereo_Count	1
54311720	Hydrogen_Bond_Donor_Count	1
134689013	Mono_Isotopic_Weight	332.23514488
55283	Hydrogen_Bond_Acceptor_Count	9
118797610	Covalent_Unit_Count	1
3104	Mono_Isotopic_Weight	505.01648202
5282110	Undefined_Atom_Stereo_Count	0
140203	Exact_Mass	274.09690908
441358	Undefined_Atom_Stereo_Count	0
46916694	Mono_Isotopic_Weight	432.15460314
21975	Hydrogen_Bond_Acceptor_Count	9
15732451	Rotatable_Bond_Count	4
7313	Tautomer_Count	1
24997747	Undefined_Atom_Stereo_Count	0
88959440	Total_Formal_Charge	0
153963013	Hydrogen_Bond_Acceptor_Count	4
18430531	Covalent_Unit_Count	1
90628	Covalent_Unit_Count	1
441409	Exact_Mass	484.12389338
890907	Covalent_Unit_Count	1
369976	Rotatable_Bond_Count	7
10395173	Undefined_Atom_Stereo_Count	0
1488	Covalent_Unit_Count	1
3901	Undefined_Atom_Stereo_Count	7
25006687	Undefined_Bond_Stereo_Count	0
22219016	Total_Formal_Charge	0
20770500	Rotatable_Bond_Count	1
23159180	Hydrogen_Bond_Donor_Count	1
119921	Isotope_Atom_Count	0
516	Mono_Isotopic_Weight	308.00622063
21942008	XLogP3-AA	1.5
62504	XLogP3-AA	3.6
60155366	Hydrogen_Bond_Acceptor_Count	9
139074319	Rotatable_Bond_Count	8
76403	Rotatable_Bond_Count	1
9536	Undefined_Atom_Stereo_Count	0
20390093	TPSA	48.2
7837	Defined_Bond_Stereo_Count	0
67030919	Structure_Complexity	68.6
19933	Mono_Isotopic_Weight	211.0624730
98042	Isotope_Atom_Count	0
135418296	Hydrogen_Bond_Acceptor_Count	2
139059145	Undefined_Atom_Stereo_Count	0
5274271	Isotope_Atom_Count	0
14969	Non-hydrogen_Atom_Count	101
16663248	Isotope_Atom_Count	0
9597	Rotatable_Bond_Count	3
69244	Rotatable_Bond_Count	2
120081	Undefined_Atom_Stereo_Count	0
117265442	Rotatable_Bond_Count	1
1282	Rotatable_Bond_Count	3
71183	Undefined_Bond_Stereo_Count	0
57465453	XLogP3-AA	1
3033	Hydrogen_Bond_Donor_Count	2
72201	Hydrogen_Bond_Acceptor_Count	6
122404566	Exact_Mass	769.44011183
97860	Exact_Mass	254.094294304
84647594	Hydrogen_Bond_Donor_Count	1
637429	Molecular_Weight	384.4
72924	Covalent_Unit_Count	1
220820	Covalent_Unit_Count	1
135413519	Isotope_Atom_Count	0
8630	Undefined_Atom_Stereo_Count	0
20055804	Tautomer_Count	2
6432469	XLogP3-AA	2.7
12519786	Structure_Complexity	127
185915	Hydrogen_Bond_Acceptor_Count	3
121397587	Non-hydrogen_Atom_Count	33
16686	TPSA	0
148007841	Covalent_Unit_Count	1
823816	Structure_Complexity	456
554	Structure_Complexity	148
87902592	Isotope_Atom_Count	0
748002	Defined_Bond_Stereo_Count	0
77011628	Covalent_Unit_Count	1
49769060	Defined_Bond_Stereo_Count	0
1765	Hydrogen_Bond_Acceptor_Count	13
48011	Exact_Mass	598.2266172
6329567	Hydrogen_Bond_Donor_Count	0
8528	Molecular_Weight	335.4
53346577	Rotatable_Bond_Count	2
7343	Structure_Complexity	105
3387354	Molecular_Weight	393.4
135968625	Structure_Complexity	1730
82191	Non-hydrogen_Atom_Count	8
10037	Undefined_Atom_Stereo_Count	0
170254	Total_Formal_Charge	0
23629960	Hydrogen_Bond_Donor_Count	2
22812306	Covalent_Unit_Count	1
53924211	TPSA	58.5
46936192	Total_Formal_Charge	0
107377	Non-hydrogen_Atom_Count	18
2816568	Undefined_Bond_Stereo_Count	0
132274234	Exact_Mass	1608.51510
53401856	Defined_Atom_Stereo_Count	0
123162	Hydrogen_Bond_Donor_Count	0
57406911	Hydrogen_Bond_Donor_Count	1
291782	Structure_Complexity	196
1150567	Hydrogen_Bond_Acceptor_Count	4
13511141	Structure_Complexity	274
87086790	Rotatable_Bond_Count	8
522689	Undefined_Atom_Stereo_Count	0
44814423	Rotatable_Bond_Count	6
132035918	Undefined_Bond_Stereo_Count	0
58937356	Hydrogen_Bond_Donor_Count	0
153667070	TPSA	46.2
57397810	Undefined_Bond_Stereo_Count	0
20219	Isotope_Atom_Count	0
6289935	XLogP3	18.2
154013151	Mono_Isotopic_Weight	116.047344113
14708	XLogP3-AA	4
73013	Non-hydrogen_Atom_Count	27
447339	Isotope_Atom_Count	0
171808	Total_Formal_Charge	0
17856120	Isotope_Atom_Count	0
26111	XLogP3-AA	8
154152828	Mono_Isotopic_Weight	92.062600255
115225	TPSA	32.3
9918381	Defined_Atom_Stereo_Count	0
720637	Isotope_Atom_Count	0
26651	Defined_Atom_Stereo_Count	2
54033586	Exact_Mass	112.088815002
57734486	Exact_Mass	357.14841808
198790	Exact_Mass	373.94122
79173	Mono_Isotopic_Weight	174.107606347
3151	Mono_Isotopic_Weight	425.1618527
10240766	Hydrogen_Bond_Donor_Count	0
60668	Isotope_Atom_Count	0
65670951	Undefined_Atom_Stereo_Count	0
138264	Defined_Atom_Stereo_Count	0
141028526	Rotatable_Bond_Count	1
11899	Tautomer_Count	1
60196407	Total_Formal_Charge	0
34636	Isotope_Atom_Count	0
54961	TPSA	31.7
2783176	Exact_Mass	115.02335542
7102	Rotatable_Bond_Count	1
154517172	XLogP3-AA	1
68334110	Structure_Complexity	151
17432	Hydrogen_Bond_Donor_Count	0
1079	Undefined_Atom_Stereo_Count	5
10920474	Structure_Complexity	109
83295	Structure_Complexity	375
395450	Mono_Isotopic_Weight	397.14492710
136393889	Mono_Isotopic_Weight	110.02286070
164576789	Defined_Atom_Stereo_Count	6
10261065	Rotatable_Bond_Count	0
5362893	Defined_Atom_Stereo_Count	0
62327	Isotope_Atom_Count	0
57498458	Mono_Isotopic_Weight	357.13247072
4034	Structure_Complexity	448
998021	Hydrogen_Bond_Acceptor_Count	6
5281167	Total_Formal_Charge	0
566685	Total_Formal_Charge	0
9975270	Isotope_Atom_Count	0
5318042	Mono_Isotopic_Weight	100.088815002
91677	Molecular_Weight	312.11
62708	Structure_Complexity	146
42610	Mono_Isotopic_Weight	347.14561886
2440	Mono_Isotopic_Weight	496.09575
47151	Molecular_Weight	204.5
6436223	Covalent_Unit_Count	1
49757967	XLogP3-AA	0.7
25522	Defined_Atom_Stereo_Count	3
44320150	Covalent_Unit_Count	2
66858	Hydrogen_Bond_Donor_Count	1
71839	XLogP3-AA	0.5
45255840	TPSA	38.8
6433718	Hydrogen_Bond_Donor_Count	0
8819	Isotope_Atom_Count	0
27464	Tautomer_Count	1
721947	Isotope_Atom_Count	0
66081	Hydrogen_Bond_Acceptor_Count	0
6125183	TPSA	107
13256	Exact_Mass	192.093900383
11389359	Total_Formal_Charge	0
36671	Defined_Bond_Stereo_Count	0
86000267	XLogP3-AA	6.3
62904	Hydrogen_Bond_Acceptor_Count	8
4746	XLogP3-AA	6.8
449087	Rotatable_Bond_Count	4
45073621	Undefined_Bond_Stereo_Count	0
41599	Undefined_Atom_Stereo_Count	0
70694239	Rotatable_Bond_Count	4
5327065	Isotope_Atom_Count	0
59717617	Hydrogen_Bond_Acceptor_Count	3
2733797	Isotope_Atom_Count	0
4908365	Total_Formal_Charge	0
7453	Molecular_Weight	150.22
10086969	Mono_Isotopic_Weight	86.084398327
136231689	Undefined_Bond_Stereo_Count	0
6233	Undefined_Bond_Stereo_Count	0
11734	Undefined_Atom_Stereo_Count	1
13376	XLogP3-AA	0.8
12420192	Hydrogen_Bond_Donor_Count	1
6443717	Structure_Complexity	84.1
852452	TPSA	59.8
153767626	Covalent_Unit_Count	1
105106104	Mono_Isotopic_Weight	114.068079557
9703	Undefined_Bond_Stereo_Count	0
135398561	Non-hydrogen_Atom_Count	33
6323236	TPSA	161
4158661	Hydrogen_Bond_Acceptor_Count	8
62064	Molecular_Weight	355.07
5284584	Isotope_Atom_Count	0
15683	Hydrogen_Bond_Donor_Count	0
189914	Total_Formal_Charge	0
227274	Defined_Bond_Stereo_Count	0
21791633	Covalent_Unit_Count	1
14499	Non-hydrogen_Atom_Count	7
70235	Isotope_Atom_Count	0
11803	Total_Formal_Charge	0
84647665	Structure_Complexity	134
11285588	Exact_Mass	731.30002740
57391458	Undefined_Bond_Stereo_Count	0
71391652	Undefined_Atom_Stereo_Count	2
21441185	Defined_Bond_Stereo_Count	0
6437842	Undefined_Atom_Stereo_Count	1
129726050	Exact_Mass	512.11299
23960	Isotope_Atom_Count	0
15612	Hydrogen_Bond_Donor_Count	0
3035914	Mono_Isotopic_Weight	258.15929460
138394518	Exact_Mass	1388.93119660
3683	Covalent_Unit_Count	1
138756126	Defined_Atom_Stereo_Count	2
750179	Molecular_Weight	256.30
9950094	Mono_Isotopic_Weight	345.1244046
4380	Molecular_Weight	272.17
105101	Molecular_Weight	308.0
12255652	Hydrogen_Bond_Donor_Count	2
164656	Defined_Bond_Stereo_Count	0
2413	Defined_Atom_Stereo_Count	0
137261994	Undefined_Atom_Stereo_Count	0
125564	Mono_Isotopic_Weight	367.24237613
23916	Non-hydrogen_Atom_Count	10
4043	Mono_Isotopic_Weight	344.23514488
17499	XLogP3	0.8
519642	Molecular_Weight	110.18
156391	Mono_Isotopic_Weight	230.094294304
53321035	XLogP3-AA	2.9
191841	Hydrogen_Bond_Donor_Count	3
193994	XLogP3-AA	2.4
10224595	Defined_Atom_Stereo_Count	1
7814	Exact_Mass	108.068748264
5394	Hydrogen_Bond_Donor_Count	1
47	Hydrogen_Bond_Acceptor_Count	3
82055	Undefined_Bond_Stereo_Count	0
98088	Defined_Bond_Stereo_Count	0
53317813	Hydrogen_Bond_Acceptor_Count	7
167845	Defined_Bond_Stereo_Count	0
25171648	Covalent_Unit_Count	1
13522	Defined_Bond_Stereo_Count	0
91663255	Defined_Atom_Stereo_Count	9
23982	Exact_Mass	157.92411
13213307	Defined_Bond_Stereo_Count	0
3017698	Non-hydrogen_Atom_Count	17
16170150	XLogP3-AA	10.7
154170332	Defined_Bond_Stereo_Count	0
12562238	Rotatable_Bond_Count	2
154017157	Mono_Isotopic_Weight	114.99055751
44208919	Rotatable_Bond_Count	12
70967	Non-hydrogen_Atom_Count	11
23677960	Covalent_Unit_Count	4
10173277	Exact_Mass	418.21172409
349711	Undefined_Atom_Stereo_Count	0
232838	TPSA	60.8
56160	Exact_Mass	414.0400831
2530251	Defined_Atom_Stereo_Count	0
644073	Hydrogen_Bond_Acceptor_Count	5
11147897	Molecular_Weight	163.13
20003	Undefined_Bond_Stereo_Count	0
66683198	Non-hydrogen_Atom_Count	24
398631	XLogP3-AA	5
3856780	Exact_Mass	231.02800565
16363	XLogP3	3.7
16684927	Hydrogen_Bond_Donor_Count	0
10633	Molecular_Weight	304.5
22349965	Mono_Isotopic_Weight	100.027277375
2775941	Mono_Isotopic_Weight	363.373924508
21987892	Structure_Complexity	144
43558819	Mono_Isotopic_Weight	113.047678466
27422	Structure_Complexity	104
10582755	Hydrogen_Bond_Donor_Count	0
22939741	Defined_Atom_Stereo_Count	0
11188898	Isotope_Atom_Count	0
121734	Hydrogen_Bond_Donor_Count	1
13493	Structure_Complexity	503
98097	Defined_Bond_Stereo_Count	0
3686	Isotope_Atom_Count	0
80972	Covalent_Unit_Count	1
27686	Hydrogen_Bond_Acceptor_Count	11
86208116	Defined_Bond_Stereo_Count	0
36879	Rotatable_Bond_Count	4
23362267	Non-hydrogen_Atom_Count	8
20435525	Hydrogen_Bond_Donor_Count	0
22052726	Exact_Mass	114.068079557
13791581	Exact_Mass	98.073164938
24901351	Isotope_Atom_Count	0
573470	Undefined_Bond_Stereo_Count	0
339496	Undefined_Bond_Stereo_Count	0
156599225	Exact_Mass	490.36582469
21152	Rotatable_Bond_Count	3
136730	Mono_Isotopic_Weight	110.048012819
95497	Undefined_Bond_Stereo_Count	0
131850547	Undefined_Bond_Stereo_Count	0
8761	Structure_Complexity	111
87425	Non-hydrogen_Atom_Count	11
122200638	TPSA	118
5462507	Molecular_Weight	327.4
132500979	Hydrogen_Bond_Acceptor_Count	3
49714	Tautomer_Count	1
21962760	XLogP3-AA	1
10093379	Undefined_Bond_Stereo_Count	0
547995	Isotope_Atom_Count	0
136582	Exact_Mass	100.088815002
15643399	Defined_Bond_Stereo_Count	0
154419142	Non-hydrogen_Atom_Count	8
9183	Defined_Bond_Stereo_Count	0
23378923	Exact_Mass	112.088815002
130804992	TPSA	21.3
9820073	Hydrogen_Bond_Acceptor_Count	4
894468	Exact_Mass	336.0432331
129806	Mono_Isotopic_Weight	481.16828496
33191	Hydrogen_Bond_Acceptor_Count	1
57952	Rotatable_Bond_Count	6
53302141	Defined_Bond_Stereo_Count	0
7266	Undefined_Atom_Stereo_Count	0
57157895	Exact_Mass	106.078250319
37419	Defined_Bond_Stereo_Count	0
3037261	Hydrogen_Bond_Acceptor_Count	3
5189	TPSA	112
54403482	Structure_Complexity	107
9837674	Undefined_Atom_Stereo_Count	0
82505	TPSA	40.9
37901	TPSA	76
107280	Hydrogen_Bond_Donor_Count	0
14313438	Molecular_Weight	111.10
19370943	Undefined_Atom_Stereo_Count	0
4427	Undefined_Bond_Stereo_Count	0
11976122	Isotope_Atom_Count	0
13002	Hydrogen_Bond_Acceptor_Count	2
29809	Defined_Bond_Stereo_Count	0
526362	Exact_Mass	325.87649
44152363	Defined_Bond_Stereo_Count	0
146027509	Hydrogen_Bond_Donor_Count	11
77038	Hydrogen_Bond_Donor_Count	5
9909677	Undefined_Bond_Stereo_Count	0
57399142	Mono_Isotopic_Weight	389.0268720
66503	Non-hydrogen_Atom_Count	32
2723816	Isotope_Atom_Count	0
3035240	Defined_Bond_Stereo_Count	0
667550	Undefined_Atom_Stereo_Count	0
88402	Defined_Atom_Stereo_Count	0
9862	Hydrogen_Bond_Acceptor_Count	1
109016492	TPSA	57.3
11957593	TPSA	28.7
89822	Molecular_Weight	434.6
139059561	Hydrogen_Bond_Acceptor_Count	6
18459757	Defined_Atom_Stereo_Count	0
20638380	Mono_Isotopic_Weight	818.6973
134	Hydrogen_Bond_Acceptor_Count	2
153577917	Isotope_Atom_Count	0
447202	Undefined_Atom_Stereo_Count	0
5288393	Non-hydrogen_Atom_Count	14
3045375	Mono_Isotopic_Weight	448.1553704
53657	Undefined_Bond_Stereo_Count	0
6444834	Hydrogen_Bond_Acceptor_Count	6
3571	Undefined_Bond_Stereo_Count	0
87063833	Defined_Atom_Stereo_Count	0
403657	Rotatable_Bond_Count	7
5459958	Exact_Mass	159.06573383
23618032	Mono_Isotopic_Weight	507.1996948
9547215	Defined_Atom_Stereo_Count	8
54706138	Non-hydrogen_Atom_Count	49
4460493	Covalent_Unit_Count	1
223441	Defined_Atom_Stereo_Count	0
3264839	Defined_Atom_Stereo_Count	0
53299334	Structure_Complexity	520
557678	Total_Formal_Charge	0
9939152	Total_Formal_Charge	0
9897412	Rotatable_Bond_Count	11
11329359	Hydrogen_Bond_Acceptor_Count	9
21945716	Non-hydrogen_Atom_Count	7
50937	Mono_Isotopic_Weight	293.1546421
6461	TPSA	46.5
109014	Defined_Atom_Stereo_Count	0
17571562	Non-hydrogen_Atom_Count	47
20060810	TPSA	47.8
41438	Non-hydrogen_Atom_Count	23
16211761	XLogP3-AA	6.1
54025111	Rotatable_Bond_Count	2
11658655	Isotope_Atom_Count	0
71304	Tautomer_Count	1
10313102	Isotope_Atom_Count	0
18413907	Exact_Mass	95.073499291
23588	Undefined_Atom_Stereo_Count	0
11062312	Molecular_Weight	98.14
2794833	Structure_Complexity	77.8
520098	Hydrogen_Bond_Donor_Count	0
10931233	Mono_Isotopic_Weight	1197.20932
129010082	Molecular_Weight	905.0
61930	Mono_Isotopic_Weight	216.208930132
69033681	Rotatable_Bond_Count	1
7220	Defined_Atom_Stereo_Count	0
3011729	Rotatable_Bond_Count	11
122534114	Hydrogen_Bond_Donor_Count	8
3025961	Structure_Complexity	251
70696864	XLogP3-AA	2.1
12271349	Exact_Mass	110.073164938
5883	Rotatable_Bond_Count	7
199402	Non-hydrogen_Atom_Count	85
95343	Structure_Complexity	227
96701	Hydrogen_Bond_Donor_Count	1
61101	Hydrogen_Bond_Donor_Count	0
73343	Structure_Complexity	96.6
23423585	Exact_Mass	109.063997236
21246587	Undefined_Bond_Stereo_Count	0
10162630	Undefined_Atom_Stereo_Count	0
665063	Rotatable_Bond_Count	4
62475	Molecular_Weight	120.19
56962336	Hydrogen_Bond_Acceptor_Count	8
519539	Total_Formal_Charge	0
550922	Rotatable_Bond_Count	0
559799	Mono_Isotopic_Weight	115.00918496
20483595	Structure_Complexity	177
5920	Exact_Mass	650.7901
71529	Undefined_Bond_Stereo_Count	0
44258737	Undefined_Atom_Stereo_Count	2
12596294	Hydrogen_Bond_Acceptor_Count	2
18529	Total_Formal_Charge	0
24090	Undefined_Atom_Stereo_Count	1
26428	Exact_Mass	153.078978594
44277532	Defined_Atom_Stereo_Count	10
101484762	Non-hydrogen_Atom_Count	8
220181	Structure_Complexity	327
20392	Mono_Isotopic_Weight	180.04225873
25142172	Hydrogen_Bond_Acceptor_Count	3
5364553	Molecular_Weight	294.6
61053	TPSA	55.4
19077516	Molecular_Weight	430.9
10072851	Non-hydrogen_Atom_Count	34
140349	Total_Formal_Charge	0
6925	Undefined_Bond_Stereo_Count	0
14786609	Undefined_Bond_Stereo_Count	0
10097082	Undefined_Atom_Stereo_Count	0
25015107	Structure_Complexity	635
4932	Non-hydrogen_Atom_Count	25
40826	Covalent_Unit_Count	1
8854	XLogP3	0
70480	Rotatable_Bond_Count	0
153939154	Hydrogen_Bond_Donor_Count	0
92158	TPSA	17.1
58335323	Undefined_Bond_Stereo_Count	0
484651	Non-hydrogen_Atom_Count	80
65331	TPSA	475
6745	Mono_Isotopic_Weight	414.386166214
42614	Molecular_Weight	198.18
3414	Hydrogen_Bond_Donor_Count	0
5225092	Rotatable_Bond_Count	7
108227	Hydrogen_Bond_Donor_Count	2
57760	Defined_Atom_Stereo_Count	0
15278	Mono_Isotopic_Weight	164.083729621
20307232	Defined_Bond_Stereo_Count	0
23989	Hydrogen_Bond_Donor_Count	0
92763	Covalent_Unit_Count	1
44218957	Non-hydrogen_Atom_Count	27
11954359	Molecular_Weight	286.8
53684795	Defined_Bond_Stereo_Count	0
123134056	Covalent_Unit_Count	2
118511060	Defined_Bond_Stereo_Count	0
13401682	TPSA	33
32836	Exact_Mass	291.859703
49342	XLogP3-AA	1.2
5814	Rotatable_Bond_Count	2
11244031	Hydrogen_Bond_Acceptor_Count	3
129009974	Defined_Atom_Stereo_Count	12
76223462	Rotatable_Bond_Count	2
156333	Total_Formal_Charge	0
102435360	Defined_Bond_Stereo_Count	0
66735	Isotope_Atom_Count	0
43958	Defined_Atom_Stereo_Count	0
92629	XLogP3-AA	0.8
5403	Hydrogen_Bond_Donor_Count	4
16221342	Isotope_Atom_Count	0
47721	Exact_Mass	274.172150702
146159501	TPSA	35.5
9798437	Hydrogen_Bond_Acceptor_Count	8
7017958	Isotope_Atom_Count	0
39745	Undefined_Atom_Stereo_Count	1
222786	Tautomer_Count	45
75081	Defined_Atom_Stereo_Count	0
484651	Hydrogen_Bond_Acceptor_Count	28
1101318	Hydrogen_Bond_Acceptor_Count	7
59648985	Rotatable_Bond_Count	0
75466425	Exact_Mass	294.173213330
1282	Non-hydrogen_Atom_Count	22
18506394	Covalent_Unit_Count	1
55716	TPSA	90.5
14238	Undefined_Bond_Stereo_Count	1
129801132	Molecular_Weight	138.09
17754438	Defined_Atom_Stereo_Count	0
6449	TPSA	41.9
87784	Tautomer_Count	1
156963264	Defined_Bond_Stereo_Count	0
13734170	Defined_Bond_Stereo_Count	0
67818	Structure_Complexity	448
139062015	Covalent_Unit_Count	2
53357478	Covalent_Unit_Count	1
135413504	XLogP3-AA	1.6
14786532	Molecular_Weight	111.14
77332	Non-hydrogen_Atom_Count	8
23666110	Total_Formal_Charge	0
49852403	Non-hydrogen_Atom_Count	91
22459	Defined_Bond_Stereo_Count	0
24864821	Mono_Isotopic_Weight	383.13822480
69288	Non-hydrogen_Atom_Count	18
4830	Covalent_Unit_Count	1
129668601	Rotatable_Bond_Count	3
21615295	Non-hydrogen_Atom_Count	7
84351	Mono_Isotopic_Weight	82.041864811
91886354	Rotatable_Bond_Count	0
15920959	TPSA	44
548282	Covalent_Unit_Count	1
24865390	Total_Formal_Charge	0
5353422	Covalent_Unit_Count	1
56518	Rotatable_Bond_Count	2
60196420	Structure_Complexity	481
5311341	Non-hydrogen_Atom_Count	35
48622	Hydrogen_Bond_Donor_Count	0
117	Undefined_Atom_Stereo_Count	0
101063142	Isotope_Atom_Count	0
14440442	Mono_Isotopic_Weight	100.03851076
5452	Undefined_Bond_Stereo_Count	0
8037	Molecular_Weight	116.20
4359	Undefined_Bond_Stereo_Count	0
408285	Undefined_Atom_Stereo_Count	0
10176589	Hydrogen_Bond_Donor_Count	3
165986150	Exact_Mass	111.068413911
122534114	TPSA	190
413260	Undefined_Atom_Stereo_Count	0
19431	Undefined_Atom_Stereo_Count	0
10470544	Structure_Complexity	235
64799	Defined_Bond_Stereo_Count	0
85500	Mono_Isotopic_Weight	371.1149025
22967002	Rotatable_Bond_Count	0
77763	Hydrogen_Bond_Donor_Count	1
76658	Exact_Mass	182.05790880
60824	Rotatable_Bond_Count	7
69465	Mono_Isotopic_Weight	140.047344113
165363410	Isotope_Atom_Count	0
5284378	Rotatable_Bond_Count	4
25184541	Exact_Mass	408.10453946
1550470	TPSA	26.3
71699993	Undefined_Atom_Stereo_Count	1
82650926	Undefined_Bond_Stereo_Count	0
2215	Undefined_Atom_Stereo_Count	1
134129703	Undefined_Atom_Stereo_Count	1
44558536	Exact_Mass	373.1808568
70339927	Exact_Mass	84.068748264
6539038	Undefined_Atom_Stereo_Count	0
12734569	Non-hydrogen_Atom_Count	8
38251	Defined_Atom_Stereo_Count	0
25154200	Defined_Bond_Stereo_Count	0
3025	Hydrogen_Bond_Acceptor_Count	4
8481	Covalent_Unit_Count	1
11256720	TPSA	70.7
132471895	Covalent_Unit_Count	1
8053	Defined_Atom_Stereo_Count	0
307	Mono_Isotopic_Weight	132.057514874
12586	Total_Formal_Charge	0
90687044	TPSA	30.7
37888437	Molecular_Weight	430.5
17461	Undefined_Atom_Stereo_Count	0
20384488	TPSA	23.8
54581775	Molecular_Weight	372.3
76583	Isotope_Atom_Count	0
8425	Molecular_Weight	218.68
22408685	Molecular_Weight	97.12
60196396	Isotope_Atom_Count	0
89053264	Rotatable_Bond_Count	1
75987414	Isotope_Atom_Count	0
23804	Total_Formal_Charge	0
16945	Hydrogen_Bond_Acceptor_Count	0
10111	Hydrogen_Bond_Acceptor_Count	1
23676736	Non-hydrogen_Atom_Count	30
63786	Undefined_Bond_Stereo_Count	0
129630635	Undefined_Atom_Stereo_Count	0
60063	XLogP3-AA	0.4
464036	Undefined_Atom_Stereo_Count	0
11164	Tautomer_Count	1
66614	Hydrogen_Bond_Acceptor_Count	7
70684821	TPSA	100
6	Structure_Complexity	224
31903	Undefined_Atom_Stereo_Count	0
208923	Undefined_Bond_Stereo_Count	0
95391	Hydrogen_Bond_Donor_Count	0
25335	Tautomer_Count	1
23978	Isotope_Atom_Count	0
29878	Defined_Bond_Stereo_Count	0
11040651	Defined_Atom_Stereo_Count	0
9828911	Structure_Complexity	904
40549	Rotatable_Bond_Count	0
5585	Hydrogen_Bond_Donor_Count	0
11114	Exact_Mass	272.1291556
52893	Undefined_Bond_Stereo_Count	0
22022770	Structure_Complexity	68.2
65834	Defined_Atom_Stereo_Count	1
95400	Covalent_Unit_Count	1
84081255	Covalent_Unit_Count	1
135539121	Rotatable_Bond_Count	8
12283	Hydrogen_Bond_Donor_Count	2
448903	Exact_Mass	445.21138974
16091082	Defined_Bond_Stereo_Count	0
937	Molecular_Weight	122.10
46244260	XLogP3-AA	1.5
70678916	Hydrogen_Bond_Acceptor_Count	8
21988305	Isotope_Atom_Count	0
8272	Hydrogen_Bond_Donor_Count	2
75494	Exact_Mass	294.01643791
16454	Hydrogen_Bond_Donor_Count	1
3028194	Defined_Bond_Stereo_Count	0
18218196	Defined_Bond_Stereo_Count	0
15668	Defined_Bond_Stereo_Count	0
90657669	Undefined_Bond_Stereo_Count	0
3342	Exact_Mass	242.094294304
19910	Hydrogen_Bond_Donor_Count	1
82418990	Total_Formal_Charge	0
76743	Mono_Isotopic_Weight	309.0323340
141478347	Defined_Bond_Stereo_Count	0
20312691	Hydrogen_Bond_Acceptor_Count	3
62278	Undefined_Bond_Stereo_Count	0
56670167	Hydrogen_Bond_Acceptor_Count	6
129676328	Mono_Isotopic_Weight	123.972319
9865375	Total_Formal_Charge	0
277	Mono_Isotopic_Weight	61.016378338
83064	TPSA	114
62719	TPSA	31
129544	Covalent_Unit_Count	1
45358158	Total_Formal_Charge	0
139073990	Molecular_Weight	284.35
8508	Hydrogen_Bond_Acceptor_Count	7
153400963	Hydrogen_Bond_Acceptor_Count	1
8130	XLogP3	2.3
6786	Defined_Bond_Stereo_Count	0
54727975	TPSA	82.4
148745	XLogP3-AA	3.1
44454985	Defined_Atom_Stereo_Count	1
135398729	Exact_Mass	237.08618923
16822	XLogP3	0.8
166144333	Defined_Atom_Stereo_Count	0
135398701	Defined_Bond_Stereo_Count	0
11586735	TPSA	54.7
9989237	Exact_Mass	113.058911855
1437819	Rotatable_Bond_Count	3
443159	Covalent_Unit_Count	1
439243	Rotatable_Bond_Count	12
97931	Tautomer_Count	2
101099404	Defined_Bond_Stereo_Count	2
3035894	Exact_Mass	442.19262862
5491647	Isotope_Atom_Count	0
176171	Non-hydrogen_Atom_Count	19
963424	Hydrogen_Bond_Donor_Count	1
643985	Covalent_Unit_Count	1
11661	Defined_Atom_Stereo_Count	0
8003	Defined_Atom_Stereo_Count	0
15016062	Hydrogen_Bond_Donor_Count	1
4730	Undefined_Atom_Stereo_Count	3
317062	Covalent_Unit_Count	1
148475193	Undefined_Bond_Stereo_Count	0
63142	Tautomer_Count	1
72743	Total_Formal_Charge	0
2734040	Defined_Atom_Stereo_Count	0
3000715	Rotatable_Bond_Count	4
6662	Undefined_Bond_Stereo_Count	0
57565697	Non-hydrogen_Atom_Count	8
3318739	XLogP3-AA	7.9
465585	Undefined_Atom_Stereo_Count	0
11420	Total_Formal_Charge	0
22058802	Molecular_Weight	106.16
12701402	Undefined_Atom_Stereo_Count	2
146013258	Structure_Complexity	77.7
44456	Mono_Isotopic_Weight	259.132076794
49865493	Defined_Atom_Stereo_Count	0
11314340	Isotope_Atom_Count	0
71655	Exact_Mass	171.11201006
9853710	Structure_Complexity	1420
15273919	Structure_Complexity	80.1
4156734	Hydrogen_Bond_Donor_Count	0
13807316	Molecular_Weight	114.14
5284607	Structure_Complexity	696
8478	TPSA	18.5
123754760	Molecular_Weight	110.20
57398391	Undefined_Atom_Stereo_Count	0
7647	Mono_Isotopic_Weight	182.109550447
15778	Defined_Bond_Stereo_Count	0
14267	XLogP3-AA	1.3
126970904	Hydrogen_Bond_Donor_Count	1
7018640	Mono_Isotopic_Weight	111.079647300
5121662	Non-hydrogen_Atom_Count	13
165558	Exact_Mass	500.0721538
796	Total_Formal_Charge	0
22096	Exact_Mass	242.04265265
5325574	Covalent_Unit_Count	1
11554076	Hydrogen_Bond_Donor_Count	1
10442	Structure_Complexity	12.4
46795	Defined_Bond_Stereo_Count	0
70934	Mono_Isotopic_Weight	70.041864811
70124	Undefined_Atom_Stereo_Count	1
65689	Hydrogen_Bond_Acceptor_Count	8
3032307	Defined_Bond_Stereo_Count	0
80076	Tautomer_Count	1
54149606	TPSA	41.1
139030973	Isotope_Atom_Count	0
1864	Exact_Mass	248.11609238
12521030	Defined_Bond_Stereo_Count	0
9786	Non-hydrogen_Atom_Count	20
636398	Hydrogen_Bond_Acceptor_Count	7
59040622	Exact_Mass	180.06338810
441336	Rotatable_Bond_Count	5
118972006	Rotatable_Bond_Count	1
5488345	Isotope_Atom_Count	0
68847	Defined_Bond_Stereo_Count	0
17111	XLogP3	0.5
483765	Non-hydrogen_Atom_Count	25
3073763	Molecular_Weight	208.69
657180	Undefined_Bond_Stereo_Count	0
88402732	Total_Formal_Charge	0
59296099	Covalent_Unit_Count	1
137699058	Undefined_Bond_Stereo_Count	0
67214459	Total_Formal_Charge	0
92764	TPSA	0
57429842	Isotope_Atom_Count	0
14708733	Molecular_Weight	408.4
11852	Mono_Isotopic_Weight	483.59443
56776542	Molecular_Weight	250.02
8994	Undefined_Bond_Stereo_Count	0
31230	XLogP3	0.1
2354	Exact_Mass	281.13889351
15575641	Defined_Bond_Stereo_Count	0
139782102	Hydrogen_Bond_Donor_Count	1
222549	Non-hydrogen_Atom_Count	18
5074	TPSA	61.2
35876	Undefined_Atom_Stereo_Count	0
4557	TPSA	40.5
16229	Non-hydrogen_Atom_Count	28
446578	Hydrogen_Bond_Donor_Count	3
6993205	Defined_Bond_Stereo_Count	0
4369502	XLogP3-AA	3.1
6538897	Molecular_Weight	328.16
24946105	Molecular_Weight	405.6
71277	Molecular_Weight	790.0
15532	Defined_Atom_Stereo_Count	0
85896	Rotatable_Bond_Count	3
3800	Total_Formal_Charge	0
65731	Undefined_Bond_Stereo_Count	0
9889366	Molecular_Weight	438.6
5317426	Undefined_Bond_Stereo_Count	0
181583	Defined_Bond_Stereo_Count	0
9849425	Hydrogen_Bond_Donor_Count	6
146474256	Undefined_Atom_Stereo_Count	2
9604	Hydrogen_Bond_Donor_Count	0
542317	Tautomer_Count	1
59172784	Molecular_Weight	95.14
82703	Undefined_Atom_Stereo_Count	0
157641	Structure_Complexity	120
18430	Hydrogen_Bond_Acceptor_Count	1
9946953	Hydrogen_Bond_Acceptor_Count	5
45280821	Molecular_Weight	1112.4
7343	Defined_Bond_Stereo_Count	0
445226	Mono_Isotopic_Weight	182.05905161
10941	Molecular_Weight	181.06
2723694	TPSA	17.1
12695798	Molecular_Weight	113.20
24200857	TPSA	3.2
24849134	Defined_Bond_Stereo_Count	0
18656	Defined_Bond_Stereo_Count	0
22553	Hydrogen_Bond_Donor_Count	2
3899	Undefined_Bond_Stereo_Count	0
6067	Exact_Mass	340.19463999
76957520	Hydrogen_Bond_Donor_Count	3
9915039	Molecular_Weight	533.5
5709222	Total_Formal_Charge	0
44395089	Exact_Mass	597.30635275
21023678	Isotope_Atom_Count	0
7344	Molecular_Weight	118.13
69317	XLogP3-AA	4.6
11979704	Tautomer_Count	1
35375	Defined_Bond_Stereo_Count	0
601880	XLogP3	1.8
5636	TPSA	94.8
147543335	Mono_Isotopic_Weight	97.089149355
12285894	TPSA	110
3272524	Isotope_Atom_Count	0
158797	Defined_Bond_Stereo_Count	0
6917715	Covalent_Unit_Count	1
104556	Non-hydrogen_Atom_Count	15
20725980	Rotatable_Bond_Count	26
282529	Rotatable_Bond_Count	0
21482439	Defined_Bond_Stereo_Count	0
16211417	Structure_Complexity	182
124222418	Hydrogen_Bond_Donor_Count	7
996625	Mono_Isotopic_Weight	353.11979803
259821	Undefined_Atom_Stereo_Count	0
6917860	Exact_Mass	554.05420021
59296094	Non-hydrogen_Atom_Count	34
68551	Covalent_Unit_Count	2
535188	Covalent_Unit_Count	1
668601	Isotope_Atom_Count	0
10457387	Structure_Complexity	462
13134933	Molecular_Weight	355.32
458645	Defined_Bond_Stereo_Count	0
54500069	Defined_Atom_Stereo_Count	0
59540609	Mono_Isotopic_Weight	111.068413911
24906321	Non-hydrogen_Atom_Count	29
72200037	Exact_Mass	473.29795982
107250	Defined_Bond_Stereo_Count	0
7121	TPSA	55.8
8395	Molecular_Weight	324.3
157898	Tautomer_Count	1
23932	TPSA	0
543112	Total_Formal_Charge	0
65940	Molecular_Weight	341.4
8333	Non-hydrogen_Atom_Count	16
17564	Defined_Bond_Stereo_Count	0
3035442	Molecular_Weight	403.9
6438560	Total_Formal_Charge	0
260859	Hydrogen_Bond_Acceptor_Count	1
23327	Hydrogen_Bond_Acceptor_Count	5
11932	Undefined_Atom_Stereo_Count	0
56224	Undefined_Atom_Stereo_Count	3
6433356	Total_Formal_Charge	0
79800	TPSA	121
101914	Exact_Mass	131.94250
671214	Exact_Mass	242.98949
53641062	Non-hydrogen_Atom_Count	8
86062	Mono_Isotopic_Weight	101.120449483
22401764	XLogP3-AA	0.2
60155099	Undefined_Bond_Stereo_Count	0
32594	Undefined_Bond_Stereo_Count	0
15570483	Molecular_Weight	94.15
52945794	Undefined_Bond_Stereo_Count	1
135403832	Defined_Bond_Stereo_Count	0
1135	Isotope_Atom_Count	0
138753053	Isotope_Atom_Count	0
10176229	Total_Formal_Charge	0
156592059	Covalent_Unit_Count	2
3033943	Isotope_Atom_Count	0
3642	Hydrogen_Bond_Acceptor_Count	6
165997557	Rotatable_Bond_Count	1
74739	XLogP3-AA	3.5
84653	Undefined_Atom_Stereo_Count	0
57394197	Defined_Bond_Stereo_Count	0
3052772	Structure_Complexity	412
40920	Undefined_Bond_Stereo_Count	0
533863	Exact_Mass	101.99530854
11548000	Defined_Atom_Stereo_Count	0
46937007	TPSA	203
445580	Covalent_Unit_Count	1
12438035	Structure_Complexity	79.3
70198	Rotatable_Bond_Count	0
255	Total_Formal_Charge	0
66678	Defined_Bond_Stereo_Count	0
65417277	Molecular_Weight	114.11
95197	Hydrogen_Bond_Acceptor_Count	0
54169147	Non-hydrogen_Atom_Count	8
5462077	Exact_Mass	272.22122615
630	Non-hydrogen_Atom_Count	13
17019	Mono_Isotopic_Weight	270.00441
25125217	Structure_Complexity	730
15013749	Non-hydrogen_Atom_Count	39
134688371	Isotope_Atom_Count	0
58640323	Hydrogen_Bond_Donor_Count	1
612687	Mono_Isotopic_Weight	218.03275668
146776289	Isotope_Atom_Count	0
53304446	Undefined_Bond_Stereo_Count	0
16872	Isotope_Atom_Count	0
122174240	Structure_Complexity	529
89359	Undefined_Atom_Stereo_Count	2
7986	Total_Formal_Charge	0
12868608	Molecular_Weight	66.10
71643	Undefined_Bond_Stereo_Count	0
9869877	Undefined_Atom_Stereo_Count	0
87490405	Undefined_Atom_Stereo_Count	0
16750192	Isotope_Atom_Count	0
72200850	XLogP3-AA	4.6
12927948	Undefined_Atom_Stereo_Count	2
633	Defined_Bond_Stereo_Count	0
118855904	Exact_Mass	181.06674293
70697506	TPSA	90.7
131872	Isotope_Atom_Count	0
25217475	Mono_Isotopic_Weight	416.23833276
25171662	Mono_Isotopic_Weight	331.10154281
24107	Hydrogen_Bond_Acceptor_Count	2
6450003	Total_Formal_Charge	0
14392758	Undefined_Bond_Stereo_Count	0
12867748	Molecular_Weight	114.15
6921840	Defined_Atom_Stereo_Count	1
82464	Isotope_Atom_Count	0
158385	Defined_Atom_Stereo_Count	0
92536013	Structure_Complexity	453
18940396	Hydrogen_Bond_Donor_Count	1
73671	Hydrogen_Bond_Acceptor_Count	3
627386	Non-hydrogen_Atom_Count	20
684	Hydrogen_Bond_Acceptor_Count	16
15368893	Defined_Atom_Stereo_Count	0
20884	Defined_Bond_Stereo_Count	0
56834577	TPSA	102
289847	Structure_Complexity	150
9964066	Molecular_Weight	88.11
54687772	Undefined_Bond_Stereo_Count	0
61016	Exact_Mass	140.120115130
7822	Undefined_Atom_Stereo_Count	1
135565635	Rotatable_Bond_Count	2
550030	XLogP3-AA	1.8
91026652	Exact_Mass	112.063662883
44577705	Total_Formal_Charge	0
44270249	Structure_Complexity	2000
11083861	Undefined_Bond_Stereo_Count	0
3109	Tautomer_Count	1
271814	Molecular_Weight	256.34
241419	Hydrogen_Bond_Acceptor_Count	4
44206533	Hydrogen_Bond_Donor_Count	0
92444	Mono_Isotopic_Weight	335.860066
135554980	Hydrogen_Bond_Acceptor_Count	4
20848883	Molecular_Weight	562.1
55317	TPSA	197
57735	Undefined_Bond_Stereo_Count	0
4219136	Total_Formal_Charge	0
700865	XLogP3-AA	3.3
123492457	TPSA	0
2312	Undefined_Atom_Stereo_Count	0
89374440	Mono_Isotopic_Weight	180.06338810
123936	Undefined_Atom_Stereo_Count	0
42609626	Exact_Mass	203.0713064
13039538	Undefined_Atom_Stereo_Count	2
129645691	Covalent_Unit_Count	2
442882	Molecular_Weight	364.3
65679	TPSA	105
332226	Non-hydrogen_Atom_Count	8
9828356	Tautomer_Count	6
5324781	TPSA	41.8
11111	Exact_Mass	307.06267708
2741000	Hydrogen_Bond_Acceptor_Count	2
40473193	Isotope_Atom_Count	0
72099	Undefined_Bond_Stereo_Count	0
65770	Undefined_Atom_Stereo_Count	1
233085	Hydrogen_Bond_Acceptor_Count	4
53315110	Hydrogen_Bond_Acceptor_Count	3
8986	Undefined_Bond_Stereo_Count	0
25113157	Defined_Atom_Stereo_Count	2
85613150	Defined_Bond_Stereo_Count	0
235530	Undefined_Bond_Stereo_Count	0
10675	Mono_Isotopic_Weight	398.1509537
15256327	Structure_Complexity	103
5353843	Defined_Bond_Stereo_Count	1
11697697	Total_Formal_Charge	0
5362460	Covalent_Unit_Count	1
5808	Rotatable_Bond_Count	4
135443389	Hydrogen_Bond_Donor_Count	3
3003191	Molecular_Weight	324.4
5035	TPSA	98.2
87349895	Undefined_Atom_Stereo_Count	3
16667736	Tautomer_Count	14
59771	Hydrogen_Bond_Acceptor_Count	4
11721	Hydrogen_Bond_Donor_Count	0
17182	Total_Formal_Charge	0
7140	Rotatable_Bond_Count	3
137759	Molecular_Weight	161.20
140334	Tautomer_Count	1
5218	Exact_Mass	436.28248899
68416	Defined_Bond_Stereo_Count	0
54685047	Covalent_Unit_Count	2
12209630	Hydrogen_Bond_Acceptor_Count	2
118701498	Hydrogen_Bond_Donor_Count	2
4990	Covalent_Unit_Count	1
17806258	Hydrogen_Bond_Acceptor_Count	2
126970904	Covalent_Unit_Count	1
22833295	Undefined_Atom_Stereo_Count	0
5723	XLogP3-AA	2.2
2801129	Total_Formal_Charge	0
31420	Undefined_Bond_Stereo_Count	0
55284719	Isotope_Atom_Count	0
29356	Structure_Complexity	161
6537502	TPSA	455
56746	TPSA	57.5
45791267	Hydrogen_Bond_Acceptor_Count	3
73879	Hydrogen_Bond_Acceptor_Count	0
49288	Defined_Atom_Stereo_Count	0
135981362	Isotope_Atom_Count	0
6245	Defined_Atom_Stereo_Count	4
22150757	Defined_Atom_Stereo_Count	0
87637	Rotatable_Bond_Count	2
354009	Undefined_Atom_Stereo_Count	10
71622	XLogP3-AA	5
54454	Hydrogen_Bond_Acceptor_Count	5
160765	Tautomer_Count	1
71825	Hydrogen_Bond_Donor_Count	1
413742	Exact_Mass	140.01432991
630355	Rotatable_Bond_Count	4
1308	XLogP3-AA	2.2
2564	Non-hydrogen_Atom_Count	20
3084049	Covalent_Unit_Count	2
19077508	Undefined_Bond_Stereo_Count	0
13968540	Rotatable_Bond_Count	3
81416328	Defined_Atom_Stereo_Count	0
57745745	Total_Formal_Charge	0
111	Undefined_Atom_Stereo_Count	0
43095	Defined_Bond_Stereo_Count	0
11402147	Structure_Complexity	228
57082085	Defined_Atom_Stereo_Count	0
21470	Defined_Bond_Stereo_Count	0
688586	Hydrogen_Bond_Acceptor_Count	6
448925	Hydrogen_Bond_Acceptor_Count	11
5463134	Exact_Mass	100.052429494
67505	Molecular_Weight	136.18
126627233	Exact_Mass	100.100048391
65014	Defined_Atom_Stereo_Count	0
543151	Rotatable_Bond_Count	0
44454958	Defined_Atom_Stereo_Count	1
856	Tautomer_Count	1
441073	Exact_Mass	324.183778013
49862578	Undefined_Atom_Stereo_Count	1
852	Covalent_Unit_Count	1
3892	XLogP3-AA	2.9
45255840	Hydrogen_Bond_Acceptor_Count	4
123867984	TPSA	9.2
77018	Defined_Bond_Stereo_Count	0
5288783	Non-hydrogen_Atom_Count	30
7048634	Structure_Complexity	674
25142312	Structure_Complexity	760
85943658	Total_Formal_Charge	0
87692081	Isotope_Atom_Count	0
14040	Total_Formal_Charge	0
6166	Mono_Isotopic_Weight	330.21949481
1241420	Mono_Isotopic_Weight	173.10519334
359231	Structure_Complexity	96.6
408	Isotope_Atom_Count	0
46893453	Defined_Atom_Stereo_Count	0
19704286	Rotatable_Bond_Count	0
7476	Non-hydrogen_Atom_Count	11
129627734	Undefined_Atom_Stereo_Count	2
9874874	Defined_Bond_Stereo_Count	0
31251	Tautomer_Count	1
62852	TPSA	99.4
57716	Defined_Bond_Stereo_Count	0
123489618	Structure_Complexity	117
129322184	Undefined_Bond_Stereo_Count	0
13530	Structure_Complexity	70.6
5329098	Hydrogen_Bond_Donor_Count	2
13017912	Defined_Bond_Stereo_Count	3
141167	Defined_Bond_Stereo_Count	0
5312108	Defined_Bond_Stereo_Count	0
11162	Defined_Atom_Stereo_Count	0
8123	XLogP3-AA	8
11690378	Undefined_Bond_Stereo_Count	0
11228773	Rotatable_Bond_Count	0
2723	Non-hydrogen_Atom_Count	10
91881846	Structure_Complexity	337
455147	Mono_Isotopic_Weight	180.06338810
141070	Mono_Isotopic_Weight	95.048347172
22297	Defined_Bond_Stereo_Count	0
13382623	Exact_Mass	106.053098200
65679	Isotope_Atom_Count	0
22559336	TPSA	9.2
152445	XLogP3-AA	2.4
3140	Isotope_Atom_Count	0
6533	Defined_Atom_Stereo_Count	0
83616	Structure_Complexity	224
12868288	Undefined_Bond_Stereo_Count	0
102515088	Hydrogen_Bond_Acceptor_Count	6
23616571	Total_Formal_Charge	0
102515495	Hydrogen_Bond_Acceptor_Count	6
3318739	Rotatable_Bond_Count	17
56658718	Covalent_Unit_Count	1
54675785	Hydrogen_Bond_Donor_Count	6
54949	Hydrogen_Bond_Acceptor_Count	15
71315012	Defined_Bond_Stereo_Count	2
2691	TPSA	198
20255128	Rotatable_Bond_Count	0
14842942	Molecular_Weight	204.06
1480	Molecular_Weight	255.5
12093171	TPSA	123
17475	Defined_Atom_Stereo_Count	0
11708045	Defined_Bond_Stereo_Count	0
10898949	TPSA	51.6
101605498	XLogP3	1
15940571	Exact_Mass	489.27265258
165230	Exact_Mass	506.99574658
82116	Isotope_Atom_Count	0
21336	Structure_Complexity	236
122174240	TPSA	75.6
6950274	Defined_Bond_Stereo_Count	0
599239	Covalent_Unit_Count	1
6604858	Isotope_Atom_Count	0
84976	Rotatable_Bond_Count	4
135450591	Mono_Isotopic_Weight	473.16589610
118	Defined_Atom_Stereo_Count	0
18359433	Isotope_Atom_Count	0
4162	TPSA	46.2
10339178	Defined_Atom_Stereo_Count	0
11170991	Hydrogen_Bond_Donor_Count	2
3038505	Non-hydrogen_Atom_Count	39
59450	Total_Formal_Charge	1
85862	Rotatable_Bond_Count	4
21031014	XLogP3-AA	0.3
13058524	Total_Formal_Charge	0
101316975	Defined_Atom_Stereo_Count	0
178080	Isotope_Atom_Count	0
520907	Molecular_Weight	101.19
3033836	Hydrogen_Bond_Donor_Count	0
124018515	Hydrogen_Bond_Donor_Count	0
527511	Structure_Complexity	62.8
85743571	Structure_Complexity	101
18759	Rotatable_Bond_Count	0
136505	Mono_Isotopic_Weight	102.068079557
181976	Undefined_Atom_Stereo_Count	0
123612613	Non-hydrogen_Atom_Count	8
709612	Hydrogen_Bond_Acceptor_Count	4
527511	Molecular_Weight	109.17
415984	TPSA	52.6
10314851	Rotatable_Bond_Count	6
1489	Covalent_Unit_Count	1
3644	Molecular_Weight	440.4
10301884	XLogP3-AA	5.1
31388	Isotope_Atom_Count	0
92032367	Defined_Bond_Stereo_Count	1
72392	Hydrogen_Bond_Donor_Count	8
12842600	Defined_Atom_Stereo_Count	0
16120191	Non-hydrogen_Atom_Count	13
57397898	Non-hydrogen_Atom_Count	30
10607	Non-hydrogen_Atom_Count	30
71624469	Undefined_Atom_Stereo_Count	1
10948838	XLogP3-AA	1.7
11182591	Undefined_Bond_Stereo_Count	0
47721	Tautomer_Count	1
13224	Non-hydrogen_Atom_Count	12
66323	Undefined_Bond_Stereo_Count	0
117899707	Structure_Complexity	74.6
11184839	Hydrogen_Bond_Donor_Count	1
704233	Total_Formal_Charge	0
59292	TPSA	33.9
71584162	Undefined_Atom_Stereo_Count	0
68304261	Total_Formal_Charge	0
36660	Structure_Complexity	285
37888437	TPSA	103
6711153	Hydrogen_Bond_Donor_Count	5
49659	Defined_Bond_Stereo_Count	0
79437	Defined_Atom_Stereo_Count	0
119607	Exact_Mass	314.07251349
2457	Rotatable_Bond_Count	1
28467	Non-hydrogen_Atom_Count	16
320459	Undefined_Bond_Stereo_Count	1
58935140	TPSA	29.1
136346	Undefined_Bond_Stereo_Count	0
80507	Undefined_Bond_Stereo_Count	0
21899743	Total_Formal_Charge	0
10313134	Hydrogen_Bond_Acceptor_Count	2
10253	Mono_Isotopic_Weight	195.05315777
123133975	Mono_Isotopic_Weight	813.45107043
11285653	XLogP3-AA	3.6
10005402	Exact_Mass	480.1034322
14197	Non-hydrogen_Atom_Count	27
18927701	XLogP3-AA	1
87704774	Molecular_Weight	219.67
40467053	Undefined_Bond_Stereo_Count	0
14402033	Rotatable_Bond_Count	1
5377022	Rotatable_Bond_Count	3
13465027	Structure_Complexity	72.9
481	Covalent_Unit_Count	1
49846579	Defined_Atom_Stereo_Count	0
527111	Covalent_Unit_Count	1
23190	Tautomer_Count	2
543880	Molecular_Weight	100.16
5086466	Non-hydrogen_Atom_Count	16
103544	Covalent_Unit_Count	1
118704759	Defined_Atom_Stereo_Count	1
5362620	Structure_Complexity	105
21917397	TPSA	3.9
101973938	Structure_Complexity	772
2769	Defined_Bond_Stereo_Count	0
101946434	Non-hydrogen_Atom_Count	1
3611	Rotatable_Bond_Count	1
12855445	Total_Formal_Charge	0
1990	Structure_Complexity	42.9
85307823	Hydrogen_Bond_Donor_Count	2
15073	Isotope_Atom_Count	0
44330586	Undefined_Bond_Stereo_Count	0
9948894	Non-hydrogen_Atom_Count	22
192826	Covalent_Unit_Count	1
9847219	XLogP3-AA	4.8
705467	Exact_Mass	249.13649347
59050126	Covalent_Unit_Count	1
9939892	Exact_Mass	695.26989313
12487261	Defined_Bond_Stereo_Count	0
18410493	Defined_Atom_Stereo_Count	0
23725019	Hydrogen_Bond_Acceptor_Count	4
16667503	Isotope_Atom_Count	0
11007841	TPSA	25.8
93279	Rotatable_Bond_Count	6
19690463	Undefined_Atom_Stereo_Count	0
56675694	Rotatable_Bond_Count	4
20100130	Exact_Mass	257.05104977
37134563	Defined_Bond_Stereo_Count	0
9547890	Undefined_Bond_Stereo_Count	0
19600405	Hydrogen_Bond_Donor_Count	0
6993773	Structure_Complexity	84.7
448632	Hydrogen_Bond_Donor_Count	1
104745	Tautomer_Count	1
81263	Defined_Bond_Stereo_Count	0
123288617	Isotope_Atom_Count	0
13947131	Molecular_Weight	100.12
73672523	Total_Formal_Charge	0
91353581	Molecular_Weight	113.11
89129308	Rotatable_Bond_Count	1
16693	Molecular_Weight	189.04
86134	Non-hydrogen_Atom_Count	23
11600783	TPSA	110
76008	Undefined_Atom_Stereo_Count	0
139059145	Hydrogen_Bond_Acceptor_Count	3
11597697	Isotope_Atom_Count	0
99516	Mono_Isotopic_Weight	416.32904526
57396214	Defined_Atom_Stereo_Count	1
59217416	Rotatable_Bond_Count	1
556303	Exact_Mass	94.078250319
145706202	Molecular_Weight	485.0
60196427	Hydrogen_Bond_Donor_Count	0
5362451	Defined_Bond_Stereo_Count	0
136603687	Isotope_Atom_Count	0
198243	Undefined_Atom_Stereo_Count	2
37425	TPSA	86.2
419490	Rotatable_Bond_Count	1
61141	Isotope_Atom_Count	0
164116	Molecular_Weight	252.27
140269	TPSA	0
13198436	Undefined_Bond_Stereo_Count	0
57164232	Exact_Mass	106.041864811
5316860	TPSA	138
81364	Total_Formal_Charge	0
71970	Hydrogen_Bond_Donor_Count	2
76482	Total_Formal_Charge	0
71449585	Defined_Atom_Stereo_Count	0
129626607	Non-hydrogen_Atom_Count	14
160352	Hydrogen_Bond_Acceptor_Count	10
54466280	Undefined_Bond_Stereo_Count	0
66013	Mono_Isotopic_Weight	107.073499291
71450115	Structure_Complexity	918
21637995	Defined_Bond_Stereo_Count	0
9841596	Isotope_Atom_Count	0
3002119	Structure_Complexity	481
32184	Total_Formal_Charge	0
16376	TPSA	74.5
12302673	Hydrogen_Bond_Acceptor_Count	11
517441	Total_Formal_Charge	0
57505393	Hydrogen_Bond_Donor_Count	1
25070193	Molecular_Weight	427.4
158974	Mono_Isotopic_Weight	310.08010079
853561	Hydrogen_Bond_Donor_Count	0
56720	Rotatable_Bond_Count	3
6437385	Tautomer_Count	2
4447605	Hydrogen_Bond_Acceptor_Count	3
10872638	Undefined_Atom_Stereo_Count	0
7968	Mono_Isotopic_Weight	96.021129366
55973	Exact_Mass	315.90260
22624677	Molecular_Weight	179.22
25087171	Defined_Bond_Stereo_Count	0
64715	TPSA	72.8
91175918	Total_Formal_Charge	0
4748	Exact_Mass	403.1485113
162678	Isotope_Atom_Count	0
706434	Defined_Bond_Stereo_Count	0
6681	Undefined_Atom_Stereo_Count	0
123217479	Molecular_Weight	92.14
72187524	Defined_Bond_Stereo_Count	2
62835	Tautomer_Count	2
70922	Molecular_Weight	88.07
98306	Rotatable_Bond_Count	2
8447	Rotatable_Bond_Count	3
16680	TPSA	52.6
14416477	XLogP3-AA	2.1
58125087	Undefined_Bond_Stereo_Count	0
4495	Non-hydrogen_Atom_Count	21
62871	Undefined_Bond_Stereo_Count	0
20378092	Covalent_Unit_Count	1
11097730	Hydrogen_Bond_Acceptor_Count	3
104802	Mono_Isotopic_Weight	346.16008244
10567	Molecular_Weight	126.97
234485	Isotope_Atom_Count	0
4994	Exact_Mass	167.094628657
12068306	Isotope_Atom_Count	0
231040	Undefined_Bond_Stereo_Count	0
206693	Covalent_Unit_Count	1
9899402	Undefined_Atom_Stereo_Count	0
21356	Tautomer_Count	2
21910271	Exact_Mass	223.04899890
4223	Structure_Complexity	584
24937	Mono_Isotopic_Weight	266.96225
65615	Defined_Atom_Stereo_Count	0
19438038	Defined_Bond_Stereo_Count	0
21718278	Hydrogen_Bond_Donor_Count	0
12758760	Mono_Isotopic_Weight	113.084063974
90825254	Isotope_Atom_Count	0
19969	Defined_Bond_Stereo_Count	0
6163	Mono_Isotopic_Weight	154.02997997
66195	Covalent_Unit_Count	1
34850	Hydrogen_Bond_Acceptor_Count	3
23247721	Defined_Atom_Stereo_Count	2
193972	Defined_Bond_Stereo_Count	0
53763878	Undefined_Atom_Stereo_Count	0
5195	Isotope_Atom_Count	0
12779729	Undefined_Bond_Stereo_Count	0
122241575	TPSA	54
68510675	Total_Formal_Charge	0
2663	XLogP3	1.9
142965989	XLogP3-AA	5.1
90921336	Defined_Atom_Stereo_Count	0
84571	Molecular_Weight	342.30
690730	Mono_Isotopic_Weight	178.03131738
4045	Undefined_Bond_Stereo_Count	0
2723617	Defined_Atom_Stereo_Count	1
2761399	Undefined_Atom_Stereo_Count	0
3515	Exact_Mass	198.140850574
23615408	Defined_Bond_Stereo_Count	0
19657	Undefined_Atom_Stereo_Count	1
16293	Molecular_Weight	202.25
26204	Hydrogen_Bond_Acceptor_Count	2
163994814	Non-hydrogen_Atom_Count	7
50295	Undefined_Atom_Stereo_Count	0
45116605	Structure_Complexity	57.1
57511216	Exact_Mass	527.23263824
23675622	Rotatable_Bond_Count	3
8062	Covalent_Unit_Count	1
23276	Defined_Bond_Stereo_Count	0
11241	Total_Formal_Charge	0
8164	Hydrogen_Bond_Donor_Count	0
87279996	Structure_Complexity	96.5
135532964	Exact_Mass	97.027611728
642799	Undefined_Atom_Stereo_Count	0
12343	Undefined_Bond_Stereo_Count	0
12579408	XLogP3-AA	1.1
20483595	Exact_Mass	106.053098200
40602794	Rotatable_Bond_Count	3
7146288	XLogP3-AA	2.7
64883	Undefined_Bond_Stereo_Count	0
756126	XLogP3-AA	2.2
36688241	Exact_Mass	427.20331054
68736	Covalent_Unit_Count	1
50108	Tautomer_Count	1
10775	Defined_Bond_Stereo_Count	0
3003	Exact_Mass	392.19990218
135505	Undefined_Bond_Stereo_Count	0
102492967	Rotatable_Bond_Count	6
133169	Isotope_Atom_Count	0
39356	Defined_Atom_Stereo_Count	0
3690	Rotatable_Bond_Count	5
14885960	Tautomer_Count	3
12582	Tautomer_Count	1
30131	Undefined_Bond_Stereo_Count	0
15412	Total_Formal_Charge	0
5485220	Defined_Atom_Stereo_Count	1
9048	Hydrogen_Bond_Donor_Count	3
53631526	Exact_Mass	113.047678466
121098	Rotatable_Bond_Count	8
51369	TPSA	46.6
53483390	Non-hydrogen_Atom_Count	37
29935	Mono_Isotopic_Weight	81.057849228
11546946	Defined_Bond_Stereo_Count	0
625295	Rotatable_Bond_Count	7
3000668	Mono_Isotopic_Weight	305.16270821
13031981	Hydrogen_Bond_Acceptor_Count	2
159889	Undefined_Atom_Stereo_Count	0
16664362	Defined_Bond_Stereo_Count	0
135214	Covalent_Unit_Count	1
188802	Covalent_Unit_Count	2
9778	Undefined_Bond_Stereo_Count	0
14946164	Hydrogen_Bond_Acceptor_Count	0
8942	Molecular_Weight	240.30
53394675	Hydrogen_Bond_Donor_Count	1
2830832	Total_Formal_Charge	0
4797519	Undefined_Atom_Stereo_Count	1
62080	Exact_Mass	292.18858861
846297	Defined_Bond_Stereo_Count	0
26033	Hydrogen_Bond_Acceptor_Count	8
16212479	Hydrogen_Bond_Acceptor_Count	7
1923	Rotatable_Bond_Count	0
31276	Isotope_Atom_Count	0
15034633	Defined_Atom_Stereo_Count	0
21637412	Non-hydrogen_Atom_Count	30
10960	Covalent_Unit_Count	1
123133923	Defined_Bond_Stereo_Count	0
57470525	Total_Formal_Charge	0
136266076	Hydrogen_Bond_Acceptor_Count	4
6419957	Exact_Mass	1456.4334786
529031	Total_Formal_Charge	0
90931176	Defined_Atom_Stereo_Count	0
5188	Covalent_Unit_Count	1
557772	Hydrogen_Bond_Donor_Count	1
47535	Defined_Bond_Stereo_Count	0
144739862	Molecular_Weight	110.15
19739476	Molecular_Weight	96.09
708625	Defined_Bond_Stereo_Count	0
821217	Covalent_Unit_Count	1
24208748	Undefined_Bond_Stereo_Count	0
54586720	Hydrogen_Bond_Donor_Count	1
4110039	Mono_Isotopic_Weight	132.00096561
6986	Covalent_Unit_Count	1
21625894	Non-hydrogen_Atom_Count	59
15982151	Structure_Complexity	718
6633	Molecular_Weight	253.36
13427979	Non-hydrogen_Atom_Count	8
53153	Defined_Bond_Stereo_Count	0
66195	TPSA	0
123234407	Hydrogen_Bond_Donor_Count	1
694146	Total_Formal_Charge	0
56669107	Covalent_Unit_Count	1
13764	Total_Formal_Charge	0
13068494	Hydrogen_Bond_Donor_Count	1
883785	Structure_Complexity	248
701594	Hydrogen_Bond_Donor_Count	1
2475	Hydrogen_Bond_Donor_Count	2
118972006	XLogP3-AA	1.5
129514	Molecular_Weight	431.32
32838	TPSA	77.6
123634	Molecular_Weight	901.2
7292	Hydrogen_Bond_Acceptor_Count	2
53762327	Undefined_Atom_Stereo_Count	0
3760	Mono_Isotopic_Weight	413.986024
10767	Exact_Mass	235.157228913
9912639	Isotope_Atom_Count	0
44134800	Undefined_Atom_Stereo_Count	0
14782182	Molecular_Weight	115.17
29084	Mono_Isotopic_Weight	220.08479225
25256833	Mono_Isotopic_Weight	275.18584370
14723648	Covalent_Unit_Count	1
155555949	TPSA	64.1
68871	Covalent_Unit_Count	1
9543089	Hydrogen_Bond_Donor_Count	0
450484	Hydrogen_Bond_Acceptor_Count	6
2733293	Covalent_Unit_Count	1
11051686	Isotope_Atom_Count	0
10105	Undefined_Bond_Stereo_Count	0
809622	Undefined_Bond_Stereo_Count	0
134129849	XLogP3-AA	1.8
78202	Rotatable_Bond_Count	14
6561	Hydrogen_Bond_Acceptor_Count	1
9567831	Hydrogen_Bond_Donor_Count	3
491941	Rotatable_Bond_Count	5
423375	Mono_Isotopic_Weight	171.08301860
7536	Covalent_Unit_Count	1
580518	Structure_Complexity	265
5282416	Structure_Complexity	507
6946681	Isotope_Atom_Count	0
47714	Isotope_Atom_Count	0
237766	Total_Formal_Charge	0
6604189	Exact_Mass	556.39885615
4558	Undefined_Bond_Stereo_Count	1
7017816	Mono_Isotopic_Weight	108.068748264
9824345	TPSA	108
22636915	Defined_Bond_Stereo_Count	0
59601793	XLogP3-AA	1.2
123626564	Isotope_Atom_Count	0
21621538	Rotatable_Bond_Count	2
26945	Rotatable_Bond_Count	8
158182	Hydrogen_Bond_Donor_Count	1
20387242	Defined_Atom_Stereo_Count	0
18965	Undefined_Bond_Stereo_Count	0
521158	Undefined_Bond_Stereo_Count	0
300166	Total_Formal_Charge	0
12519677	Undefined_Atom_Stereo_Count	1
270299	Hydrogen_Bond_Acceptor_Count	2
59516092	Hydrogen_Bond_Donor_Count	2
349711	Hydrogen_Bond_Acceptor_Count	3
135410	TPSA	89.9
52949613	Undefined_Atom_Stereo_Count	0
114376	Total_Formal_Charge	0
56644402	Mono_Isotopic_Weight	382.17936134
457	Isotope_Atom_Count	0
54025111	Structure_Complexity	92
15809	Total_Formal_Charge	0
68229136	Rotatable_Bond_Count	4
154095	TPSA	132
49757967	Mono_Isotopic_Weight	112.063662883
22257205	Hydrogen_Bond_Acceptor_Count	3
91031492	Defined_Atom_Stereo_Count	1
53883934	Molecular_Weight	112.17
447534	Hydrogen_Bond_Acceptor_Count	4
21705934	Defined_Atom_Stereo_Count	0
6324	Undefined_Bond_Stereo_Count	0
12338093	Exact_Mass	214.04371528
20056625	Structure_Complexity	614
15365	Isotope_Atom_Count	0
3356829	Hydrogen_Bond_Donor_Count	0
154342062	Total_Formal_Charge	0
11815	Isotope_Atom_Count	0
64689	Hydrogen_Bond_Acceptor_Count	6
160434	Structure_Complexity	118
21466713	Defined_Bond_Stereo_Count	0
44338517	Isotope_Atom_Count	0
122362413	TPSA	202
44455117	Mono_Isotopic_Weight	377.11218768
68992903	Molecular_Weight	108.14
410906	Undefined_Atom_Stereo_Count	0
9874874	TPSA	174
13610389	Rotatable_Bond_Count	0
9864202	Structure_Complexity	490
13991585	Exact_Mass	718.15338487
73829111	Isotope_Atom_Count	0
54677946	Isotope_Atom_Count	0
66100	Defined_Bond_Stereo_Count	0
71309	Undefined_Atom_Stereo_Count	0
86231890	Defined_Bond_Stereo_Count	0
23440949	Defined_Atom_Stereo_Count	0
252198	Defined_Bond_Stereo_Count	0
18213	Structure_Complexity	55
54726191	Exact_Mass	419.12927704
6398969	Defined_Bond_Stereo_Count	0
25201948	Structure_Complexity	539
72452	Tautomer_Count	15
56033	TPSA	117
491233	Undefined_Atom_Stereo_Count	0
40521	Total_Formal_Charge	0
156882	XLogP3-AA	5.6
11513929	Molecular_Weight	197.19
60789	Defined_Bond_Stereo_Count	0
40469377	Structure_Complexity	636
4743	Defined_Bond_Stereo_Count	0
137249786	Structure_Complexity	1140
67233953	Isotope_Atom_Count	0
54014389	Mono_Isotopic_Weight	92.037448136
7916	Defined_Bond_Stereo_Count	0
21455617	Rotatable_Bond_Count	0
145765	Hydrogen_Bond_Donor_Count	1
54677977	Structure_Complexity	426
5311067	Rotatable_Bond_Count	2
12978170	Exact_Mass	96.093900383
19990	Structure_Complexity	108
593369	Isotope_Atom_Count	0
58883	Hydrogen_Bond_Acceptor_Count	4
9263	TPSA	51.6
131668649	Non-hydrogen_Atom_Count	24
18461924	Hydrogen_Bond_Donor_Count	0
87476740	Rotatable_Bond_Count	1
56935	Total_Formal_Charge	2
12672	Non-hydrogen_Atom_Count	6
214321	Covalent_Unit_Count	1
99894	Hydrogen_Bond_Donor_Count	1
14885960	Hydrogen_Bond_Acceptor_Count	6
16091082	Hydrogen_Bond_Donor_Count	2
3047795	Structure_Complexity	234
20387208	Hydrogen_Bond_Acceptor_Count	1
5152	Molecular_Weight	415.6
83823	Total_Formal_Charge	0
23681217	TPSA	81.6
44456	Defined_Bond_Stereo_Count	0
123134056	Exact_Mass	191.03202801
23724963	Undefined_Atom_Stereo_Count	0
9105	Exact_Mass	402.140850574
712421	Isotope_Atom_Count	0
2133	Molecular_Weight	502.6
69980	Isotope_Atom_Count	0
142994149	Undefined_Atom_Stereo_Count	0
135398559	Non-hydrogen_Atom_Count	34
133741	Isotope_Atom_Count	0
12577	Total_Formal_Charge	0
69777941	Undefined_Bond_Stereo_Count	0
10704	Undefined_Atom_Stereo_Count	0
92131818	Isotope_Atom_Count	0
3778	Total_Formal_Charge	0
2802	Defined_Atom_Stereo_Count	0
10749156	Molecular_Weight	113.16
15627	Exact_Mass	160.125200510
59111489	Structure_Complexity	415
23466227	Total_Formal_Charge	0
5282200	Hydrogen_Bond_Donor_Count	10
11789176	Molecular_Weight	115.09
6646	Exact_Mass	369.09396
17100	Rotatable_Bond_Count	1
85608271	TPSA	6.5
145740525	Hydrogen_Bond_Acceptor_Count	2
54149606	Covalent_Unit_Count	1
156460742	Molecular_Weight	117.15
139033031	Molecular_Weight	1326.5
71919	TPSA	48.5
11002	TPSA	25.3
49867832	Undefined_Bond_Stereo_Count	0
10997035	Structure_Complexity	103
4520	XLogP3-AA	0.1
35703	Tautomer_Count	1
91599597	Undefined_Bond_Stereo_Count	0
12316	Rotatable_Bond_Count	2
45380791	TPSA	85.6
59020	Tautomer_Count	1
6917880	Rotatable_Bond_Count	5
9551611	Defined_Bond_Stereo_Count	1
25188	Non-hydrogen_Atom_Count	5
11213558	Molecular_Weight	470.5
12207545	Undefined_Atom_Stereo_Count	0
89629295	Total_Formal_Charge	0
159157	TPSA	89
76963096	Covalent_Unit_Count	2
75816	Undefined_Atom_Stereo_Count	0
11477180	Undefined_Bond_Stereo_Count	0
6858209	Molecular_Weight	770.5
135738681	Total_Formal_Charge	0
139060478	Defined_Atom_Stereo_Count	0
73759973	Molecular_Weight	544.5
398513	Mono_Isotopic_Weight	578.02108976
11111992	Isotope_Atom_Count	0
6918585	Hydrogen_Bond_Acceptor_Count	56
61220	Non-hydrogen_Atom_Count	11
11115809	Defined_Atom_Stereo_Count	11
705	Undefined_Bond_Stereo_Count	0
20623561	Mono_Isotopic_Weight	110.048012819
23434	Structure_Complexity	425
67314475	Undefined_Bond_Stereo_Count	0
519218	Covalent_Unit_Count	2
24714	Undefined_Atom_Stereo_Count	9
252139	Undefined_Atom_Stereo_Count	0
182951	TPSA	62.6
49869035	Defined_Bond_Stereo_Count	0
17825268	Rotatable_Bond_Count	3
36829	Exact_Mass	169.956028
3045375	Structure_Complexity	816
58806257	Hydrogen_Bond_Acceptor_Count	1
62485	Defined_Bond_Stereo_Count	0
93186	Mono_Isotopic_Weight	154.135765193
22675	XLogP3-AA	4.1
6604756	Defined_Atom_Stereo_Count	2
9282	Isotope_Atom_Count	0
44446780	XLogP3	4.5
20823772	Undefined_Atom_Stereo_Count	0
9815326	Hydrogen_Bond_Acceptor_Count	4
18373078	Total_Formal_Charge	0
21221120	Covalent_Unit_Count	1
694728	Defined_Bond_Stereo_Count	1
136832	Non-hydrogen_Atom_Count	8
69332464	Undefined_Bond_Stereo_Count	0
87532	Undefined_Atom_Stereo_Count	0
53145	Isotope_Atom_Count	0
22041940	Defined_Atom_Stereo_Count	0
71459168	Total_Formal_Charge	0
150309	Structure_Complexity	458
118719297	Covalent_Unit_Count	1
135398645	Molecular_Weight	457.4
21121497	Defined_Bond_Stereo_Count	0
24865625	Hydrogen_Bond_Donor_Count	3
104926	Undefined_Bond_Stereo_Count	0
12285886	Isotope_Atom_Count	1
6918123	Mono_Isotopic_Weight	331.03264982
25912	Exact_Mass	291.96142
13165124	Covalent_Unit_Count	1
10986305	Mono_Isotopic_Weight	139.038176411
692726	Undefined_Bond_Stereo_Count	1
165995893	Isotope_Atom_Count	0
69229	Isotope_Atom_Count	0
71429557	Isotope_Atom_Count	0
448513	Defined_Bond_Stereo_Count	0
10683	Isotope_Atom_Count	0
9800555	Defined_Bond_Stereo_Count	1
6279	Mono_Isotopic_Weight	386.24570956
53940530	Hydrogen_Bond_Acceptor_Count	2
15123310	Mono_Isotopic_Weight	295.0512396
443867	Non-hydrogen_Atom_Count	25
90397060	Rotatable_Bond_Count	15
70381	Covalent_Unit_Count	1
48289	Non-hydrogen_Atom_Count	20
65562	TPSA	259
13267937	TPSA	96.2
141631	Molecular_Weight	107.15
26105	Defined_Bond_Stereo_Count	0
49806720	Molecular_Weight	482.6
9099	Non-hydrogen_Atom_Count	11
135747285	Rotatable_Bond_Count	6
103984	Rotatable_Bond_Count	6
69683	Isotope_Atom_Count	0
7928	Undefined_Bond_Stereo_Count	0
123604495	Total_Formal_Charge	0
5062	Mono_Isotopic_Weight	420.14203234
214397	Mono_Isotopic_Weight	313.17902698
5362119	Total_Formal_Charge	0
36392	XLogP3	5
882533	Hydrogen_Bond_Donor_Count	0
102601697	Molecular_Weight	241.74
557772	Covalent_Unit_Count	1
85769	Isotope_Atom_Count	0
9845837	Covalent_Unit_Count	1
11001426	Structure_Complexity	320
928367	Rotatable_Bond_Count	0
13804427	Hydrogen_Bond_Donor_Count	1
20626699	TPSA	24.1
105426940	Undefined_Bond_Stereo_Count	0
23675274	Defined_Bond_Stereo_Count	0
5460037	Hydrogen_Bond_Donor_Count	11
11466	Hydrogen_Bond_Acceptor_Count	2
743492	Defined_Atom_Stereo_Count	0
64587	Tautomer_Count	2
68791	Defined_Atom_Stereo_Count	0
12205	Non-hydrogen_Atom_Count	10
138680	Exact_Mass	98.0156500638
6437731	Hydrogen_Bond_Acceptor_Count	3
70698365	Molecular_Weight	656.4
192435	TPSA	190
91460	Rotatable_Bond_Count	1
9826744	Structure_Complexity	791
83814961	Hydrogen_Bond_Acceptor_Count	1
4127	Defined_Bond_Stereo_Count	0
23666830	Undefined_Atom_Stereo_Count	1
99058	Covalent_Unit_Count	1
101643292	Exact_Mass	523.88944278
22636915	Structure_Complexity	72.9
409384	Mono_Isotopic_Weight	376.381749540
71508542	TPSA	79
106729	Covalent_Unit_Count	1
91171	Rotatable_Bond_Count	3
13319222	Non-hydrogen_Atom_Count	7
1388	Undefined_Atom_Stereo_Count	0
454216	Exact_Mass	723.21387469
177863	TPSA	52.6
969488	Undefined_Bond_Stereo_Count	0
55290898	Undefined_Atom_Stereo_Count	1
135399895	Non-hydrogen_Atom_Count	8
54569511	Undefined_Atom_Stereo_Count	1
227430	Undefined_Bond_Stereo_Count	0
5283853	TPSA	98
98088	Mono_Isotopic_Weight	138.104465066
9812790	Hydrogen_Bond_Donor_Count	0
12059922	Exact_Mass	255.04840
9574962	Non-hydrogen_Atom_Count	27
44630251	Rotatable_Bond_Count	5
84715999	Rotatable_Bond_Count	1
9893	Non-hydrogen_Atom_Count	8
87504	Exact_Mass	677.49955525
23665583	Defined_Bond_Stereo_Count	1
63088	TPSA	0
64017	Mono_Isotopic_Weight	275.05422040
13950369	Covalent_Unit_Count	1
59059061	XLogP3-AA	0
91041862	Covalent_Unit_Count	1
6532434	XLogP3-AA	5.8
3066538	Undefined_Bond_Stereo_Count	0
130035101	Mono_Isotopic_Weight	112.052429494
521115	Mono_Isotopic_Weight	271.157228913
84420187	Total_Formal_Charge	0
527559	Rotatable_Bond_Count	2
11978813	Isotope_Atom_Count	0
9548595	Mono_Isotopic_Weight	426.386166214
8163	Hydrogen_Bond_Acceptor_Count	1
106567	XLogP3-AA	16.5
21049457	Undefined_Atom_Stereo_Count	0
2683	Isotope_Atom_Count	0
44558863	Isotope_Atom_Count	0
522996	XLogP3-AA	3.3
194670	Hydrogen_Bond_Acceptor_Count	3
69079	TPSA	17.1
535623	Exact_Mass	86.073164938
135191	Isotope_Atom_Count	0
122173799	Defined_Bond_Stereo_Count	0
134688588	Defined_Bond_Stereo_Count	2
44338774	Molecular_Weight	515.6
86882	Covalent_Unit_Count	1
97255	Undefined_Atom_Stereo_Count	0
4122	Defined_Bond_Stereo_Count	0
10291131	Structure_Complexity	382
6918973	Defined_Bond_Stereo_Count	0
73415798	Hydrogen_Bond_Donor_Count	9
4302960	Undefined_Atom_Stereo_Count	0
135398641	Non-hydrogen_Atom_Count	19
85364156	Undefined_Atom_Stereo_Count	1
6507255	Isotope_Atom_Count	0
53724680	Defined_Bond_Stereo_Count	0
53873414	Defined_Bond_Stereo_Count	0
9378	Mono_Isotopic_Weight	182.05790880
79048	Undefined_Atom_Stereo_Count	0
6227	Total_Formal_Charge	0
60028369	Total_Formal_Charge	0
3607724	Hydrogen_Bond_Donor_Count	1
70684314	Defined_Bond_Stereo_Count	0
38401	Structure_Complexity	461
139057564	Mono_Isotopic_Weight	346.9115649
40467	Undefined_Bond_Stereo_Count	0
164	Defined_Bond_Stereo_Count	0
97012111	Mono_Isotopic_Weight	342.11621151
86592	Defined_Bond_Stereo_Count	0
11655511	Exact_Mass	459.21336163
125468	Defined_Bond_Stereo_Count	1
22386601	Undefined_Bond_Stereo_Count	0
694358	Undefined_Bond_Stereo_Count	1
12377442	Undefined_Atom_Stereo_Count	1
6695	Mono_Isotopic_Weight	443.23346786
11524144	Exact_Mass	399.20591044
61235	Molecular_Weight	142.24
16129688	Exact_Mass	1619.71036639
4692287	Structure_Complexity	650
7045767	TPSA	66.4
138860	Mono_Isotopic_Weight	104.062600255
20759975	Non-hydrogen_Atom_Count	7
189782	Non-hydrogen_Atom_Count	17
40469136	Molecular_Weight	474.5
52940942	Mono_Isotopic_Weight	417.13002593
5121	XLogP3	2.5
6295	Isotope_Atom_Count	0
12814872	Defined_Atom_Stereo_Count	7
139147285	Hydrogen_Bond_Donor_Count	1
157857	Molecular_Weight	281.16
79798	Non-hydrogen_Atom_Count	16
400189	TPSA	80.8
76963786	Hydrogen_Bond_Acceptor_Count	5
78904	Covalent_Unit_Count	1
24961094	Exact_Mass	576.2270111
159719	Covalent_Unit_Count	6
20206050	Hydrogen_Bond_Acceptor_Count	2
65287	Non-hydrogen_Atom_Count	16
39230	Rotatable_Bond_Count	4
69341308	Defined_Bond_Stereo_Count	0
88290	Molecular_Weight	132.23
91450840	Defined_Atom_Stereo_Count	0
98310	XLogP3-AA	4.6
565684	Undefined_Bond_Stereo_Count	1
24636	Defined_Bond_Stereo_Count	0
6420130	Defined_Atom_Stereo_Count	2
2783	Non-hydrogen_Atom_Count	17
16095400	Rotatable_Bond_Count	4
20797	Covalent_Unit_Count	1
12572504	Undefined_Atom_Stereo_Count	1
65764	Structure_Complexity	511
159778730	Molecular_Weight	284.35
22175060	Undefined_Atom_Stereo_Count	1
54565105	Total_Formal_Charge	0
52950190	Defined_Bond_Stereo_Count	0
18727536	Undefined_Atom_Stereo_Count	0
3001028	Structure_Complexity	624
10117987	TPSA	125
2224	Defined_Bond_Stereo_Count	0
82412	Defined_Atom_Stereo_Count	0
22818	Undefined_Atom_Stereo_Count	0
75443	Rotatable_Bond_Count	2
443878	TPSA	139
96826	TPSA	17.1
64049	XLogP3-AA	1.7
1252769	Exact_Mass	110.02286070
63855	Isotope_Atom_Count	0
65953	Undefined_Bond_Stereo_Count	0
21852	Rotatable_Bond_Count	2
54517091	Exact_Mass	94.078250319
11072	TPSA	55.6
87664346	Covalent_Unit_Count	1
68539	Defined_Atom_Stereo_Count	0
13019077	Undefined_Bond_Stereo_Count	0
60803	XLogP3-AA	3.6
9543216	Rotatable_Bond_Count	0
115116	Hydrogen_Bond_Acceptor_Count	3
138539	Structure_Complexity	46.1
91538	Defined_Atom_Stereo_Count	0
85792	Rotatable_Bond_Count	1
6828	Isotope_Atom_Count	0
53436345	TPSA	34.1
16213698	Total_Formal_Charge	0
2955894	Exact_Mass	407.20697307
12114682	Molecular_Weight	389.8
106701	Undefined_Atom_Stereo_Count	1
132784510	Defined_Atom_Stereo_Count	0
3083540	Undefined_Atom_Stereo_Count	1
40894	Undefined_Bond_Stereo_Count	0
5311447	Exact_Mass	466.15961441
129869	TPSA	6.5
91256663	Defined_Bond_Stereo_Count	0
17016	XLogP3-AA	2.7
64588	XLogP3-AA	1.9
23349319	Molecular_Weight	116.11
15652148	Undefined_Atom_Stereo_Count	0
664081	Defined_Atom_Stereo_Count	0
95083	Hydrogen_Bond_Donor_Count	1
53943526	Hydrogen_Bond_Donor_Count	1
12928049	Undefined_Bond_Stereo_Count	0
56256	Mono_Isotopic_Weight	210.06806746
12118	Mono_Isotopic_Weight	191.131014166
14647	XLogP3-AA	4.7
894468	Undefined_Bond_Stereo_Count	0
88473196	Non-hydrogen_Atom_Count	10
4359436	Defined_Bond_Stereo_Count	0
5283393	Hydrogen_Bond_Acceptor_Count	1
518872	Tautomer_Count	1
72187569	TPSA	95.5
56629862	Hydrogen_Bond_Acceptor_Count	2
124604767	Hydrogen_Bond_Acceptor_Count	16
47289	Hydrogen_Bond_Acceptor_Count	5
76223871	Total_Formal_Charge	0
201538	Rotatable_Bond_Count	15
950975	Undefined_Bond_Stereo_Count	1
123611	TPSA	901
426409	Hydrogen_Bond_Donor_Count	3
2733294	Hydrogen_Bond_Donor_Count	0
12359154	Undefined_Atom_Stereo_Count	0
72200671	Covalent_Unit_Count	1
139061453	Undefined_Bond_Stereo_Count	0
34332	Hydrogen_Bond_Donor_Count	0
6168933	Rotatable_Bond_Count	40
3874	Covalent_Unit_Count	1
66503	Hydrogen_Bond_Donor_Count	2
44414728	Covalent_Unit_Count	1
10176126	Covalent_Unit_Count	1
5283335	XLogP3-AA	3.1
5282455	Total_Formal_Charge	0
22833395	Molecular_Weight	198.30
60953	Covalent_Unit_Count	1
131700489	Structure_Complexity	337
18787	Defined_Bond_Stereo_Count	0
156432753	Defined_Bond_Stereo_Count	0
11789141	Undefined_Bond_Stereo_Count	0
12741658	Molecular_Weight	100.12
61345	Defined_Bond_Stereo_Count	0
3012	Rotatable_Bond_Count	5
398738	Mono_Isotopic_Weight	308.15756
923480	Non-hydrogen_Atom_Count	20
54255838	Non-hydrogen_Atom_Count	8
54453119	Isotope_Atom_Count	0
65919626	Rotatable_Bond_Count	1
25982	Non-hydrogen_Atom_Count	10
135459971	Tautomer_Count	151
30316	Mono_Isotopic_Weight	252.162648646
63801	Covalent_Unit_Count	2
5338	Exact_Mass	300.06809681
41088	Exact_Mass	162.125594432
129796414	TPSA	48.6
6976	Covalent_Unit_Count	1
5280460	Isotope_Atom_Count	0
3830	Exact_Mass	215.08070993
23665759	Hydrogen_Bond_Acceptor_Count	2
5507	Undefined_Atom_Stereo_Count	0
21465770	TPSA	37.3
413536	Isotope_Atom_Count	0
123512955	XLogP3-AA	1.1
10039700	Defined_Bond_Stereo_Count	0
12578535	Defined_Bond_Stereo_Count	0
90643	Covalent_Unit_Count	1
194338	Hydrogen_Bond_Donor_Count	2
129638019	Molecular_Weight	296.36
5143	Molecular_Weight	183.19
366729	Structure_Complexity	323
948323	Defined_Atom_Stereo_Count	0
16211214	Hydrogen_Bond_Acceptor_Count	17
302	Exact_Mass	406.27192431
164106781	Non-hydrogen_Atom_Count	8
450591	Isotope_Atom_Count	1
3572	Covalent_Unit_Count	1
7835	Molecular_Weight	92.52
287983	Hydrogen_Bond_Donor_Count	0
328	Molecular_Weight	168.15
893524	Defined_Bond_Stereo_Count	0
1088	Molecular_Weight	89.09
10276962	Undefined_Atom_Stereo_Count	0
19994812	Hydrogen_Bond_Donor_Count	1
6641	Exact_Mass	270.161979940
21255491	Defined_Atom_Stereo_Count	0
5391	Rotatable_Bond_Count	1
126672220	Structure_Complexity	147
11326126	Non-hydrogen_Atom_Count	24
44629596	Hydrogen_Bond_Acceptor_Count	4
11658860	Molecular_Weight	195.69
128815	Covalent_Unit_Count	1
11154925	Exact_Mass	441.18123243
11702	Undefined_Atom_Stereo_Count	0
160051	Tautomer_Count	1
7686	Undefined_Atom_Stereo_Count	0
16555	TPSA	104
1516505	Non-hydrogen_Atom_Count	5
637922	Molecular_Weight	72.11
21893804	Total_Formal_Charge	1
57392872	Isotope_Atom_Count	0
797998	Molecular_Weight	344.7
90547	Undefined_Atom_Stereo_Count	0
9547222	Exact_Mass	270.161979940
13262524	Structure_Complexity	62.9
994360	TPSA	84.1
64666823	Isotope_Atom_Count	0
541493	Hydrogen_Bond_Acceptor_Count	2
143289	Hydrogen_Bond_Acceptor_Count	5
60154328	Mono_Isotopic_Weight	285.13380813
190291	Undefined_Atom_Stereo_Count	0
46883935	Total_Formal_Charge	0
77405	Structure_Complexity	327
2782201	Mono_Isotopic_Weight	255.07317976
58691	Non-hydrogen_Atom_Count	19
67979346	Structure_Complexity	827
5032	Rotatable_Bond_Count	3
71526	Hydrogen_Bond_Acceptor_Count	2
5829	TPSA	6.5
135438608	Defined_Atom_Stereo_Count	1
50993881	Molecular_Weight	433.9
5462355	Hydrogen_Bond_Donor_Count	6
294864	Defined_Atom_Stereo_Count	0
54186	Non-hydrogen_Atom_Count	24
739236	Exact_Mass	239.131014166
32049	Covalent_Unit_Count	1
133920	Hydrogen_Bond_Acceptor_Count	11
15072	Molecular_Weight	125.17
54415369	Structure_Complexity	58.7
3140	Exact_Mass	249.99743380
11245700	XLogP3-AA	3.7
140229090	Defined_Atom_Stereo_Count	0
642324	XLogP3-AA	1.4
57396085	Molecular_Weight	414.5
65110	Total_Formal_Charge	0
8923919	Molecular_Weight	283.4
94330	Undefined_Atom_Stereo_Count	0
3081349	TPSA	121
13275542	XLogP3-AA	0.6
59646264	Structure_Complexity	382
42108	Undefined_Bond_Stereo_Count	0
139063576	TPSA	115
10793	Defined_Atom_Stereo_Count	0
57400138	Hydrogen_Bond_Acceptor_Count	6
292925	Structure_Complexity	121
34458	Tautomer_Count	1
56845689	Total_Formal_Charge	0
15184871	Exact_Mass	82.053098200
90488875	Hydrogen_Bond_Acceptor_Count	21
12812295	Exact_Mass	111.068413911
44565800	Undefined_Bond_Stereo_Count	0
14966433	Isotope_Atom_Count	0
5464262	Total_Formal_Charge	0
21026729	Exact_Mass	88.100048391
23136363	Non-hydrogen_Atom_Count	26
87490405	Molecular_Weight	111.10
25435	Covalent_Unit_Count	1
142186967	Undefined_Atom_Stereo_Count	4
4761	Isotope_Atom_Count	0
6420010	Undefined_Bond_Stereo_Count	0
92043128	Hydrogen_Bond_Acceptor_Count	13
798	TPSA	15.8
16989	Hydrogen_Bond_Acceptor_Count	1
12757	Isotope_Atom_Count	0
518700	XLogP3	2.5
11957696	Undefined_Bond_Stereo_Count	0
4913256	Rotatable_Bond_Count	2
9048976	Molecular_Weight	336.5
148201	Covalent_Unit_Count	1
53316138	Exact_Mass	616.34721450
8823	Hydrogen_Bond_Donor_Count	1
176155	Rotatable_Bond_Count	4
3741048	Undefined_Atom_Stereo_Count	0
688091	Undefined_Atom_Stereo_Count	0
10781	Defined_Atom_Stereo_Count	0
97792	Molecular_Weight	132.16
162	Hydrogen_Bond_Acceptor_Count	5
59664	Molecular_Weight	354.14
6917951	Hydrogen_Bond_Acceptor_Count	5
529275	Total_Formal_Charge	0
93101	Covalent_Unit_Count	1
9798222	Exact_Mass	344.18484064
17860889	Hydrogen_Bond_Acceptor_Count	2
544861	XLogP3-AA	0.9
5283213	XLogP3	2.8
24705	Defined_Bond_Stereo_Count	0
107280	Defined_Atom_Stereo_Count	0
68438	Mono_Isotopic_Weight	160.052429494
94603	Molecular_Weight	230.3
1479778	Undefined_Bond_Stereo_Count	0
68727	Hydrogen_Bond_Acceptor_Count	2
60196294	Undefined_Atom_Stereo_Count	2
127548	Molecular_Weight	217.22
10517	Structure_Complexity	404
21336418	Isotope_Atom_Count	0
140945	XLogP3-AA	1.8
153031243	XLogP3-AA	2.2
77009	Total_Formal_Charge	0
520546	Tautomer_Count	8
22419	Defined_Atom_Stereo_Count	0
447451	XLogP3-AA	5.4
23676745	Total_Formal_Charge	0
538141	Covalent_Unit_Count	1
21943184	Hydrogen_Bond_Acceptor_Count	3
62705690	Defined_Atom_Stereo_Count	0
89875063	Non-hydrogen_Atom_Count	8
16590	Non-hydrogen_Atom_Count	8
266742	TPSA	40.5
72941505	Non-hydrogen_Atom_Count	24
18338555	TPSA	61.7
656580	Non-hydrogen_Atom_Count	27
24211992	Covalent_Unit_Count	1
28936	XLogP3-AA	4.8
4527	Undefined_Atom_Stereo_Count	4
12580406	Defined_Atom_Stereo_Count	0
7525	Tautomer_Count	1
21322	Undefined_Bond_Stereo_Count	0
407	Covalent_Unit_Count	1
70931	Defined_Atom_Stereo_Count	0
57073922	Undefined_Atom_Stereo_Count	1
135433604	Structure_Complexity	422
5668	Covalent_Unit_Count	1
158389	Rotatable_Bond_Count	0
9949848	Total_Formal_Charge	0
46325	Defined_Bond_Stereo_Count	0
5410	Mono_Isotopic_Weight	344.23514488
16950	Non-hydrogen_Atom_Count	20
35253	Defined_Atom_Stereo_Count	0
98651	Rotatable_Bond_Count	3
9907842	Rotatable_Bond_Count	8
61988	XLogP3-AA	1
110373	Total_Formal_Charge	0
81850	Mono_Isotopic_Weight	198.0083718
58305	Hydrogen_Bond_Acceptor_Count	3
20782688	Undefined_Bond_Stereo_Count	0
56929	Mono_Isotopic_Weight	546.42481153
22555	Defined_Bond_Stereo_Count	0
631779	Defined_Bond_Stereo_Count	0
12679	Molecular_Weight	179.20
17912027	Isotope_Atom_Count	0
70689387	Molecular_Weight	477.5
65327	Isotope_Atom_Count	0
6971018	Defined_Atom_Stereo_Count	1
91667979	Isotope_Atom_Count	4
17946	Non-hydrogen_Atom_Count	11
4947	Undefined_Atom_Stereo_Count	0
5311335	Defined_Atom_Stereo_Count	5
529264	Hydrogen_Bond_Donor_Count	1
80252	Tautomer_Count	1
135434844	Molecular_Weight	1145.3
85708088	XLogP3-AA	3.2
21715587	Mono_Isotopic_Weight	110.048012819
78438	Structure_Complexity	345
88142236	Covalent_Unit_Count	1
54031007	Exact_Mass	98.084398327
5282251	Mono_Isotopic_Weight	429.97768687
1811	TPSA	138
91723653	Covalent_Unit_Count	1
9851505	Structure_Complexity	141
144456	XLogP3-AA	3.2
10219402	Mono_Isotopic_Weight	112.052429494
194647	Mono_Isotopic_Weight	495.16014201
156651923	Structure_Complexity	113
798232	Total_Formal_Charge	0
143321	Non-hydrogen_Atom_Count	8
23741	Mono_Isotopic_Weight	240.245315640
13396127	Structure_Complexity	64.6
65615	Hydrogen_Bond_Donor_Count	1
6437841	Structure_Complexity	539
539036	Defined_Bond_Stereo_Count	0
18635	Exact_Mass	104.02958605
13166	Mono_Isotopic_Weight	126.104465066
21718270	TPSA	63.4
21685	Molecular_Weight	206.32
153627081	Exact_Mass	102.079312947
3086173	TPSA	59.4
4929	Mono_Isotopic_Weight	241.13611680
13772685	Undefined_Bond_Stereo_Count	0
12745213	Defined_Bond_Stereo_Count	0
135974	TPSA	0
277767	Undefined_Atom_Stereo_Count	0
30819	Hydrogen_Bond_Donor_Count	4
44593853	Defined_Atom_Stereo_Count	0
594130	Defined_Bond_Stereo_Count	0
14179013	Defined_Atom_Stereo_Count	3
135564527	Undefined_Bond_Stereo_Count	0
45791189	Defined_Bond_Stereo_Count	0
13205839	Defined_Atom_Stereo_Count	0
58506875	Isotope_Atom_Count	0
12406682	Isotope_Atom_Count	0
123809941	Non-hydrogen_Atom_Count	7
24781	Non-hydrogen_Atom_Count	7
48368	Tautomer_Count	1
3604	XLogP3-AA	1.8
133561861	Hydrogen_Bond_Acceptor_Count	3
12211348	Undefined_Atom_Stereo_Count	0
13387	Rotatable_Bond_Count	0
6369390	Mono_Isotopic_Weight	78.99489136
1636	Defined_Bond_Stereo_Count	0
71586929	Molecular_Weight	282.12
16526	Exact_Mass	146.01499861
9486	Undefined_Atom_Stereo_Count	0
87743	Structure_Complexity	284
12671690	Hydrogen_Bond_Donor_Count	0
46931005	Total_Formal_Charge	0
141379122	Exact_Mass	111.043261792
9892539	Structure_Complexity	633
81902	Hydrogen_Bond_Acceptor_Count	1
1549097	Undefined_Atom_Stereo_Count	0
60496	Rotatable_Bond_Count	11
134694392	Undefined_Atom_Stereo_Count	2
118451841	Covalent_Unit_Count	1
641298	Undefined_Atom_Stereo_Count	0
6875	Non-hydrogen_Atom_Count	18
71311382	Exact_Mass	246.198365449
49846579	Hydrogen_Bond_Donor_Count	3
50142	Molecular_Weight	294.5
42948	XLogP3	7.8
390	Tautomer_Count	3
11073358	TPSA	40.5
185226	Molecular_Weight	95.14
25050	Non-hydrogen_Atom_Count	17
156186164	Non-hydrogen_Atom_Count	8
61293	XLogP3-AA	1
23673604	Non-hydrogen_Atom_Count	24
91495606	Hydrogen_Bond_Donor_Count	0
104842	Hydrogen_Bond_Acceptor_Count	6
58222505	XLogP3-AA	0.4
18460542	Undefined_Atom_Stereo_Count	0
9287	Undefined_Bond_Stereo_Count	0
44571147	Structure_Complexity	605
1437838	Undefined_Atom_Stereo_Count	0
6785	Hydrogen_Bond_Acceptor_Count	6
409747	Tautomer_Count	1
66086	TPSA	0
44454985	XLogP3-AA	2.2
11469055	Hydrogen_Bond_Donor_Count	0
48199	Undefined_Atom_Stereo_Count	0
11495505	Defined_Atom_Stereo_Count	0
25102937	Defined_Atom_Stereo_Count	1
2734646	Molecular_Weight	146.19
6950274	Structure_Complexity	270
16005262	Non-hydrogen_Atom_Count	7
823	Molecular_Weight	258.23
9823775	Exact_Mass	426.17908655
546902	Isotope_Atom_Count	0
5267	Exact_Mass	416.20213067
165363357	Isotope_Atom_Count	0
89408	Undefined_Bond_Stereo_Count	0
18704550	Defined_Atom_Stereo_Count	0
26444	Structure_Complexity	77.7
83895	Undefined_Bond_Stereo_Count	0
53320294	TPSA	51.7
135538342	Exact_Mass	271.09569129
10746	Exact_Mass	485.91889
19938783	Defined_Bond_Stereo_Count	0
70040	Defined_Bond_Stereo_Count	0
21470	Structure_Complexity	1120
126456023	Undefined_Bond_Stereo_Count	0
135445749	Undefined_Atom_Stereo_Count	2
2568387	Defined_Bond_Stereo_Count	0
118946	Undefined_Bond_Stereo_Count	0
65926	Non-hydrogen_Atom_Count	15
76619	Rotatable_Bond_Count	0
65970	Total_Formal_Charge	0
9912743	Total_Formal_Charge	0
101450	Molecular_Weight	196.12
91259187	Defined_Bond_Stereo_Count	0
49750	Defined_Atom_Stereo_Count	0
5357	Molecular_Weight	354.5
65482	Mono_Isotopic_Weight	381.17606686
14045186	Non-hydrogen_Atom_Count	8
23269081	TPSA	0
5657	Covalent_Unit_Count	1
8606	Molecular_Weight	300.6
12303783	Molecular_Weight	148.16
373077	Hydrogen_Bond_Acceptor_Count	2
47936	Tautomer_Count	2
176077	Non-hydrogen_Atom_Count	11
131676371	TPSA	228
6916033	Structure_Complexity	457
20109	Structure_Complexity	323
129894278	Covalent_Unit_Count	5
90736069	Non-hydrogen_Atom_Count	8
155649598	Covalent_Unit_Count	1
64617	Mono_Isotopic_Weight	276.183778013
75055	Defined_Atom_Stereo_Count	0
10158453	Rotatable_Bond_Count	6
150986	Hydrogen_Bond_Donor_Count	0
103451287	Mono_Isotopic_Weight	118.062994177
181138	Mono_Isotopic_Weight	186.115698455
85963	Tautomer_Count	1
17779919	Structure_Complexity	82
6114	Molecular_Weight	195.69
248580	TPSA	29.1
25201603	Structure_Complexity	850
85716977	Hydrogen_Bond_Acceptor_Count	3
7146	XLogP3-AA	1.9
10233356	Isotope_Atom_Count	0
85773920	Undefined_Atom_Stereo_Count	2
107807	Undefined_Bond_Stereo_Count	0
14365987	Isotope_Atom_Count	0
13898	Defined_Bond_Stereo_Count	0
5464190	Total_Formal_Charge	0
74864	Hydrogen_Bond_Donor_Count	1
73755062	Rotatable_Bond_Count	14
16106	Defined_Bond_Stereo_Count	0
321710	Total_Formal_Charge	0
101606430	Non-hydrogen_Atom_Count	36
72070	Defined_Bond_Stereo_Count	0
31255	Covalent_Unit_Count	2
6186	Undefined_Bond_Stereo_Count	0
80783	Covalent_Unit_Count	1
11478	Hydrogen_Bond_Acceptor_Count	7
4626972	Isotope_Atom_Count	0
20581047	Undefined_Atom_Stereo_Count	2
94937	Exact_Mass	222.08045576
676041	Hydrogen_Bond_Acceptor_Count	2
73653998	Isotope_Atom_Count	0
18101	Defined_Atom_Stereo_Count	0
9939865	Non-hydrogen_Atom_Count	34
21158	Molecular_Weight	86.13
59657855	Isotope_Atom_Count	0
216269	Exact_Mass	424.13042228
3084667	Non-hydrogen_Atom_Count	22
3417	Defined_Bond_Stereo_Count	0
46898058	Non-hydrogen_Atom_Count	42
640429	Structure_Complexity	525
13930	Undefined_Bond_Stereo_Count	0
4347	Undefined_Atom_Stereo_Count	0
1312	Defined_Bond_Stereo_Count	0
57458936	Hydrogen_Bond_Acceptor_Count	28
20453897	Undefined_Atom_Stereo_Count	0
20135736	Defined_Atom_Stereo_Count	0
23270355	TPSA	20.2
406167	TPSA	120
14135407	Isotope_Atom_Count	0
391139	Undefined_Bond_Stereo_Count	0
15295	Undefined_Bond_Stereo_Count	0
17354	TPSA	52
25195346	Non-hydrogen_Atom_Count	35
317061	Covalent_Unit_Count	1
6603901	Defined_Atom_Stereo_Count	0
9830317	Tautomer_Count	1
67108333	Isotope_Atom_Count	0
35841	Undefined_Atom_Stereo_Count	0
17780743	Mono_Isotopic_Weight	117.078978594
138891	Defined_Bond_Stereo_Count	0
4173327	Covalent_Unit_Count	1
46204396	Defined_Bond_Stereo_Count	0
37404	Defined_Atom_Stereo_Count	0
852452	Defined_Atom_Stereo_Count	0
21233	Covalent_Unit_Count	1
67923265	Isotope_Atom_Count	0
50923	Tautomer_Count	2
10855394	Non-hydrogen_Atom_Count	7
6713	Hydrogen_Bond_Acceptor_Count	5
139194774	TPSA	89
62655	Hydrogen_Bond_Acceptor_Count	8
15335183	Total_Formal_Charge	0
1662	Non-hydrogen_Atom_Count	11
824609	Mono_Isotopic_Weight	312.0777887
20693488	Structure_Complexity	28.7
5352728	Total_Formal_Charge	0
1561	Isotope_Atom_Count	0
24901348	Non-hydrogen_Atom_Count	35
44480399	Exact_Mass	393.13247072
98442	Hydrogen_Bond_Donor_Count	0
133478	Total_Formal_Charge	0
6917674	Molecular_Weight	514.6
129652530	Non-hydrogen_Atom_Count	25
5282398	Non-hydrogen_Atom_Count	43
40637217	XLogP3-AA	3.3
1950	Non-hydrogen_Atom_Count	16
1550887	Undefined_Bond_Stereo_Count	0
5743836	TPSA	49.8
53665	Defined_Bond_Stereo_Count	0
824784	Non-hydrogen_Atom_Count	23
1374121	Defined_Atom_Stereo_Count	0
22600970	Defined_Bond_Stereo_Count	0
126479882	Hydrogen_Bond_Donor_Count	9
54316980	Rotatable_Bond_Count	0
11704019	TPSA	59.4
51522	Undefined_Bond_Stereo_Count	0
89518758	Exact_Mass	342.11621151
10310138	Structure_Complexity	632
521993	Hydrogen_Bond_Donor_Count	0
3818	Rotatable_Bond_Count	8
86260793	Undefined_Atom_Stereo_Count	0
3973	XLogP3-AA	3.1
13694815	Structure_Complexity	96.4
31877	Undefined_Bond_Stereo_Count	1
31645	Undefined_Bond_Stereo_Count	0
92249	Molecular_Weight	175.18
20662793	Undefined_Atom_Stereo_Count	1
91750	Mono_Isotopic_Weight	414.09576811
97050130	Total_Formal_Charge	0
91758	Hydrogen_Bond_Donor_Count	0
19709	Defined_Bond_Stereo_Count	0
16726	Hydrogen_Bond_Donor_Count	1
2453	Isotope_Atom_Count	0
19422141	Total_Formal_Charge	0
22842095	Isotope_Atom_Count	0
8221	Covalent_Unit_Count	1
107715	Hydrogen_Bond_Donor_Count	3
25352	TPSA	91.6
6446650	Hydrogen_Bond_Donor_Count	2
34364440	Undefined_Atom_Stereo_Count	0
58817179	TPSA	62.8
3443	XLogP3-AA	5.5
44517	Defined_Atom_Stereo_Count	0
446378	Defined_Atom_Stereo_Count	8
3058839	Non-hydrogen_Atom_Count	19
15185934	Hydrogen_Bond_Donor_Count	0
22081030	Mono_Isotopic_Weight	111.032028402
25162926	Defined_Bond_Stereo_Count	0
102657	Undefined_Atom_Stereo_Count	1
86088629	Hydrogen_Bond_Donor_Count	0
340	Mono_Isotopic_Weight	124.052429494
135802074	Total_Formal_Charge	0
6604876	Total_Formal_Charge	0
6436043	Rotatable_Bond_Count	5
24864821	XLogP3-AA	3.1
57391320	Rotatable_Bond_Count	4
2978	Total_Formal_Charge	0
445858	Exact_Mass	194.05790880
126624267	Defined_Atom_Stereo_Count	1
72015	Tautomer_Count	4
59154995	Undefined_Bond_Stereo_Count	0
9920369	Hydrogen_Bond_Acceptor_Count	2
26574	Molecular_Weight	58.81
55255930	Isotope_Atom_Count	0
141344	Defined_Atom_Stereo_Count	0
521218	TPSA	9.2
42302	TPSA	46.2
67058	Defined_Atom_Stereo_Count	0
170362	Rotatable_Bond_Count	3
11595431	Total_Formal_Charge	0
6420038	Undefined_Atom_Stereo_Count	0
40467242	Molecular_Weight	375.6
10253143	Molecular_Weight	449.3
8299	TPSA	37.3
67825	Isotope_Atom_Count	0
1779	TPSA	66.4
603026	Tautomer_Count	3
97341	Defined_Bond_Stereo_Count	0
68109743	Undefined_Atom_Stereo_Count	0
67569543	Defined_Bond_Stereo_Count	0
16078973	Isotope_Atom_Count	0
163143	Hydrogen_Bond_Acceptor_Count	10
6539026	Total_Formal_Charge	0
92333	TPSA	99.4
159977	Defined_Bond_Stereo_Count	0
147983909	Covalent_Unit_Count	1
76963096	Mono_Isotopic_Weight	488.10733165
9160	XLogP3	6.4
135985157	Mono_Isotopic_Weight	113.022526347
3035905	Defined_Bond_Stereo_Count	0
66425	Exact_Mass	286.193280068
7518	TPSA	32.3
123542114	Mono_Isotopic_Weight	99.068413911
131682	Isotope_Atom_Count	0
73829111	XLogP3-AA	1.8
200734	Mono_Isotopic_Weight	118.099379685
69333926	Rotatable_Bond_Count	0
122623	Hydrogen_Bond_Donor_Count	0
46830489	XLogP3-AA	4.7
97105	Defined_Bond_Stereo_Count	0
146679386	Hydrogen_Bond_Donor_Count	12
85104	Tautomer_Count	3
10528103	Structure_Complexity	948
123769339	Molecular_Weight	100.16
89767	Total_Formal_Charge	0
167232	Defined_Atom_Stereo_Count	0
20145495	Total_Formal_Charge	0
1676	Tautomer_Count	11
23635314	Defined_Atom_Stereo_Count	0
6927	Hydrogen_Bond_Acceptor_Count	5
483407	Covalent_Unit_Count	1
23525700	Isotope_Atom_Count	0
3001055	Molecular_Weight	314.41
70163	Defined_Bond_Stereo_Count	0
46233311	Hydrogen_Bond_Donor_Count	2
21777	Mono_Isotopic_Weight	211.1127773
97780	Hydrogen_Bond_Acceptor_Count	2
5036	Undefined_Bond_Stereo_Count	0
60196380	Molecular_Weight	270.16
6603775	Total_Formal_Charge	0
74978	Non-hydrogen_Atom_Count	18
1613	TPSA	111
25167947	Total_Formal_Charge	0
59059044	Defined_Atom_Stereo_Count	0
59557732	Hydrogen_Bond_Donor_Count	1
56615438	Undefined_Atom_Stereo_Count	0
16089914	Mono_Isotopic_Weight	435.10452
57796	Covalent_Unit_Count	2
441542	Mono_Isotopic_Weight	788.31632555
123963	Defined_Atom_Stereo_Count	0
4996382	Defined_Atom_Stereo_Count	0
987917	Exact_Mass	379.88706
1771194	Isotope_Atom_Count	0
24556	Molecular_Weight	104.079
21585139	Covalent_Unit_Count	2
88720280	Total_Formal_Charge	0
135509116	Isotope_Atom_Count	0
72157	Structure_Complexity	291
115089	Defined_Bond_Stereo_Count	0
85968590	Isotope_Atom_Count	0
5536	Mono_Isotopic_Weight	310.14163842
33547	Undefined_Bond_Stereo_Count	0
22258	Hydrogen_Bond_Donor_Count	0
15208461	XLogP3-AA	0.1
53909396	Hydrogen_Bond_Donor_Count	1
14253	Rotatable_Bond_Count	15
9064	XLogP3	0.4
45356230	Hydrogen_Bond_Acceptor_Count	2
136229126	Exact_Mass	206.17427596
124524088	Hydrogen_Bond_Acceptor_Count	16
86138	Rotatable_Bond_Count	6
21718901	XLogP3-AA	0.8
129364810	Isotope_Atom_Count	0
518727	Exact_Mass	118.099379685
121752	Hydrogen_Bond_Acceptor_Count	3
137609	Molecular_Weight	115.17
57483528	TPSA	110
46220502	Non-hydrogen_Atom_Count	37
4590704	Defined_Bond_Stereo_Count	0
153305234	Undefined_Atom_Stereo_Count	4
53835276	Rotatable_Bond_Count	1
2404	Undefined_Atom_Stereo_Count	1
54475716	Undefined_Atom_Stereo_Count	3
53484514	Defined_Atom_Stereo_Count	0
157365551	Molecular_Weight	284.35
21356643	XLogP3-AA	0.4
335	Undefined_Bond_Stereo_Count	0
56666742	Isotope_Atom_Count	0
165363475	Hydrogen_Bond_Acceptor_Count	17
39066	Undefined_Atom_Stereo_Count	2
25242	Mono_Isotopic_Weight	53.00770536
1241420	Isotope_Atom_Count	0
67638	Undefined_Atom_Stereo_Count	0
65803	Hydrogen_Bond_Donor_Count	0
89225	Undefined_Atom_Stereo_Count	1
6025	Covalent_Unit_Count	1
162955684	Undefined_Bond_Stereo_Count	0
78422649	Molecular_Weight	286.34
136502	Exact_Mass	96.068748264
81936	Molecular_Weight	374.5
136240586	TPSA	153
546957	Mono_Isotopic_Weight	171.173547683
41787	Isotope_Atom_Count	0
71333816	Total_Formal_Charge	0
6490	Isotope_Atom_Count	0
547790	Total_Formal_Charge	0
9576647	Covalent_Unit_Count	1
83403	Defined_Bond_Stereo_Count	0
154701741	TPSA	189
168131	Total_Formal_Charge	1
12687	XLogP3-AA	5.5
22672901	Structure_Complexity	91.9
14340	Defined_Atom_Stereo_Count	0
348253	Hydrogen_Bond_Acceptor_Count	4
3758	Structure_Complexity	318
13632	Rotatable_Bond_Count	0
17865372	Mono_Isotopic_Weight	97.03884512
14707	Rotatable_Bond_Count	3
102426	Exact_Mass	297.1495567
6433356	Mono_Isotopic_Weight	657.23561562
127736	TPSA	102
158770620	Non-hydrogen_Atom_Count	8
89512548	Total_Formal_Charge	0
23354329	Structure_Complexity	111
3033056	Structure_Complexity	122
130145407	Hydrogen_Bond_Donor_Count	1
5877	Defined_Bond_Stereo_Count	0
2734398	Undefined_Bond_Stereo_Count	0
4070	Total_Formal_Charge	0
441245	Structure_Complexity	197
75081	Hydrogen_Bond_Donor_Count	0
53856717	Molecular_Weight	99.13
102372243	Mono_Isotopic_Weight	416.32904526
22385449	Non-hydrogen_Atom_Count	7
7470	Tautomer_Count	6
67356	Structure_Complexity	544
21804	Isotope_Atom_Count	0
17392	Non-hydrogen_Atom_Count	27
22328014	Mono_Isotopic_Weight	114.00654193
12350	Structure_Complexity	63.4
5625	Undefined_Atom_Stereo_Count	0
53846421	TPSA	60.7
12002774	Total_Formal_Charge	0
97289	TPSA	20.2
105146	Rotatable_Bond_Count	0
440202	Mono_Isotopic_Weight	192.04225873
44414775	TPSA	55.1
40473193	TPSA	147
42504	Tautomer_Count	1
534258	XLogP3-AA	1.4
5351130	Hydrogen_Bond_Acceptor_Count	14
220834	Structure_Complexity	199
73653998	Hydrogen_Bond_Donor_Count	2
543030	Isotope_Atom_Count	0
175534	Undefined_Bond_Stereo_Count	0
25087171	Exact_Mass	184.952958
2804374	Molecular_Weight	231.68
77554	Hydrogen_Bond_Acceptor_Count	2
48368	Molecular_Weight	448.5
3082718	Exact_Mass	390.1265688
65040	Structure_Complexity	204
9229	Total_Formal_Charge	0
80108693	Hydrogen_Bond_Acceptor_Count	2
71459864	Isotope_Atom_Count	0
44260118	Molecular_Weight	822.9
79178156	Molecular_Weight	100.12
119097490	Mono_Isotopic_Weight	114.068079557
12304612	Covalent_Unit_Count	1
120269	Structure_Complexity	50.9
87892	Tautomer_Count	1
461279	Defined_Bond_Stereo_Count	0
3167	Molecular_Weight	304.5
24757913	Mono_Isotopic_Weight	622.23173397
4351	Structure_Complexity	152
91386640	Exact_Mass	101.084063974
3015009	Exact_Mass	34.99554627
53681289	Mono_Isotopic_Weight	102.079312947
11670	Isotope_Atom_Count	0
7070	Total_Formal_Charge	0
10900	Tautomer_Count	1
28620	Molecular_Weight	943.1
4165	Hydrogen_Bond_Acceptor_Count	5
4678317	Hydrogen_Bond_Acceptor_Count	1
6364	TPSA	1
10470544	Non-hydrogen_Atom_Count	22
4846	Non-hydrogen_Atom_Count	23
2647	Structure_Complexity	715
216294	Exact_Mass	452.21720340
250079	Hydrogen_Bond_Acceptor_Count	6
50313	Undefined_Atom_Stereo_Count	0
123917	Defined_Bond_Stereo_Count	0
12423177	Mono_Isotopic_Weight	113.084063974
70719	Defined_Bond_Stereo_Count	0
139283	Mono_Isotopic_Weight	65.97882412
24197462	TPSA	76.6
10606708	Hydrogen_Bond_Acceptor_Count	3
54120	Molecular_Weight	273.3
13439	Covalent_Unit_Count	1
119584	Total_Formal_Charge	0
23114997	Structure_Complexity	61.2
22416599	Defined_Atom_Stereo_Count	0
70023156	Isotope_Atom_Count	0
12151528	Molecular_Weight	97.12
108098	Molecular_Weight	383.5
21354474	Total_Formal_Charge	0
11108856	XLogP3-AA	2.5
448285	Exact_Mass	359.1070404
33793	Molecular_Weight	386.80
22424	Non-hydrogen_Atom_Count	29
71629	Non-hydrogen_Atom_Count	22
71743843	Undefined_Atom_Stereo_Count	0
312145	Non-hydrogen_Atom_Count	31
21859	Hydrogen_Bond_Donor_Count	1
10241280	Structure_Complexity	222
12573	Total_Formal_Charge	0
5773	Mono_Isotopic_Weight	415.06604838
14453684	Hydrogen_Bond_Donor_Count	1
4827	Exact_Mass	479.17835
10134310	Rotatable_Bond_Count	10
12213589	Rotatable_Bond_Count	3
3045	TPSA	89.8
14813	Mono_Isotopic_Weight	321.78220
6918332	Mono_Isotopic_Weight	375.16818752
664081	Hydrogen_Bond_Donor_Count	1
5894	Structure_Complexity	364
68953	Defined_Bond_Stereo_Count	0
5281698	Covalent_Unit_Count	1
2837	Undefined_Atom_Stereo_Count	5
52948810	Hydrogen_Bond_Donor_Count	0
135565082	Hydrogen_Bond_Donor_Count	2
160757343	Mono_Isotopic_Weight	230.272199093
71812105	Undefined_Bond_Stereo_Count	0
57587000	Hydrogen_Bond_Acceptor_Count	3
20067437	Molecular_Weight	113.11
17864	Defined_Bond_Stereo_Count	0
75690	Undefined_Atom_Stereo_Count	0
20136721	Hydrogen_Bond_Donor_Count	0
65327	Covalent_Unit_Count	2
41743	Defined_Bond_Stereo_Count	0
54676228	Rotatable_Bond_Count	2
12453026	Isotope_Atom_Count	0
63002	Hydrogen_Bond_Donor_Count	4
332226	Undefined_Atom_Stereo_Count	0
11355449	Exact_Mass	103.099714038
123068	Undefined_Bond_Stereo_Count	0
22160831	Structure_Complexity	113
73154880	Undefined_Bond_Stereo_Count	0
19675	TPSA	69.1
123223196	Molecular_Weight	114.14
12220	Undefined_Bond_Stereo_Count	1
71210615	Molecular_Weight	342.30
13693	Covalent_Unit_Count	1
3289	Molecular_Weight	242.3
69333859	Molecular_Weight	112.13
136305445	Hydrogen_Bond_Donor_Count	1
17273	XLogP3	5.4
5366149	Undefined_Bond_Stereo_Count	0
443869	TPSA	114
518966	Covalent_Unit_Count	1
31191	Mono_Isotopic_Weight	129.078978594
642765	Non-hydrogen_Atom_Count	8
10953461	Rotatable_Bond_Count	0
76220109	XLogP3-AA	0.2
53879576	Mono_Isotopic_Weight	101.084063974
130035101	Non-hydrogen_Atom_Count	8
101148	XLogP3	1.8
10044792	Non-hydrogen_Atom_Count	27
16779	Defined_Atom_Stereo_Count	0
57384040	TPSA	98.4
45609	Molecular_Weight	1161.9
177976	Undefined_Bond_Stereo_Count	0
86467	Structure_Complexity	466
60196268	Undefined_Bond_Stereo_Count	0
82313	Exact_Mass	221.08993720
5367417	Molecular_Weight	80.13
2583694	Isotope_Atom_Count	0
12932	Non-hydrogen_Atom_Count	23
9043	Undefined_Bond_Stereo_Count	0
91590	Hydrogen_Bond_Donor_Count	2
11622	Defined_Atom_Stereo_Count	0
134973	TPSA	15.3
23665765	Tautomer_Count	1
62705689	Undefined_Bond_Stereo_Count	0
6380	Non-hydrogen_Atom_Count	5
5284451	Exact_Mass	401.19507097
57395178	XLogP3-AA	5.1
943115	Hydrogen_Bond_Donor_Count	0
4369	Hydrogen_Bond_Donor_Count	2
642623	TPSA	46.5
16541	Hydrogen_Bond_Acceptor_Count	2
44760	Hydrogen_Bond_Acceptor_Count	5
3237289	Mono_Isotopic_Weight	392.21336406
12702413	Undefined_Atom_Stereo_Count	0
5748152	Total_Formal_Charge	0
133126830	TPSA	154
159027	Defined_Atom_Stereo_Count	0
68017365	Molecular_Weight	342.30
68168755	Structure_Complexity	134
3022	Defined_Atom_Stereo_Count	0
12387212	Undefined_Bond_Stereo_Count	0
163828065	Non-hydrogen_Atom_Count	7
6048	Defined_Atom_Stereo_Count	0
5314058	Hydrogen_Bond_Donor_Count	0
9962735	Defined_Atom_Stereo_Count	0
12214113	Rotatable_Bond_Count	1
3000450	Undefined_Bond_Stereo_Count	0
69342090	Molecular_Weight	108.10
68858	Mono_Isotopic_Weight	277.146664230
73640	Non-hydrogen_Atom_Count	24
18974460	Exact_Mass	115.026943022
458186	Undefined_Atom_Stereo_Count	0
5288769	Hydrogen_Bond_Acceptor_Count	11
11519741	Rotatable_Bond_Count	10
8067	Structure_Complexity	19.9
1988	Structure_Complexity	260
5150303	Covalent_Unit_Count	2
221126	Hydrogen_Bond_Donor_Count	0
59660022	Hydrogen_Bond_Donor_Count	1
313444	Defined_Atom_Stereo_Count	0
74040195	Rotatable_Bond_Count	2
2309	Total_Formal_Charge	0
23668193	Non-hydrogen_Atom_Count	4
3340152	Undefined_Bond_Stereo_Count	0
9353	Structure_Complexity	201
64934	Undefined_Atom_Stereo_Count	0
20090050	Hydrogen_Bond_Donor_Count	1
63093	XLogP3	6.8
6432061	Total_Formal_Charge	0
249187	Defined_Bond_Stereo_Count	0
79583	Defined_Bond_Stereo_Count	0
5994	Exact_Mass	314.224580195
85571413	Rotatable_Bond_Count	0
154	Structure_Complexity	413
89737	Total_Formal_Charge	0
134694743	Defined_Atom_Stereo_Count	1
26295	Total_Formal_Charge	0
54936	Covalent_Unit_Count	1
73847	Covalent_Unit_Count	1
6918336	Defined_Bond_Stereo_Count	0
1473879	Exact_Mass	252.03171130
7280190	Molecular_Weight	244.72
90928	Hydrogen_Bond_Acceptor_Count	2
13334205	Covalent_Unit_Count	1
54023646	Rotatable_Bond_Count	1
13445117	Rotatable_Bond_Count	1
87402170	Covalent_Unit_Count	1
13976559	TPSA	38.7
1548	Hydrogen_Bond_Donor_Count	3
9727	Non-hydrogen_Atom_Count	11
141409088	Undefined_Atom_Stereo_Count	2
64964	Mono_Isotopic_Weight	200.20009678
39327	Isotope_Atom_Count	0
163276613	XLogP3-AA	0.5
53314962	Rotatable_Bond_Count	4
441393	Structure_Complexity	976
21703153	Undefined_Bond_Stereo_Count	0
91981561	Defined_Bond_Stereo_Count	0
7405	Non-hydrogen_Atom_Count	9
11306	Undefined_Atom_Stereo_Count	0
16130278	Covalent_Unit_Count	1
11671	Exact_Mass	104.047344113
55250	Hydrogen_Bond_Donor_Count	0
249786	Defined_Atom_Stereo_Count	0
13483371	Undefined_Atom_Stereo_Count	0
55284642	Molecular_Weight	82.10
12036417	Total_Formal_Charge	0
25019940	Exact_Mass	557.22384613
819269	Undefined_Bond_Stereo_Count	0
141096113	Exact_Mass	116.083729621
136254592	Covalent_Unit_Count	1
9818919	Isotope_Atom_Count	0
137796280	Isotope_Atom_Count	0
136920818	Defined_Bond_Stereo_Count	0
15062870	Molecular_Weight	112.13
39929	Molecular_Weight	306.0
73698	Non-hydrogen_Atom_Count	18
6918558	Hydrogen_Bond_Donor_Count	1
57491	Rotatable_Bond_Count	2
12508224	XLogP3-AA	2
11236353	Exact_Mass	453.13584202
128907	Undefined_Atom_Stereo_Count	0
152445	Undefined_Bond_Stereo_Count	0
4814	Undefined_Atom_Stereo_Count	0
39238	Exact_Mass	268.157563266
59904077	Exact_Mass	342.11621151
67472	Mono_Isotopic_Weight	180.068748264
135418360	Undefined_Atom_Stereo_Count	0
4557	Rotatable_Bond_Count	9
935707	Isotope_Atom_Count	0
313196	Isotope_Atom_Count	0
62705859	Molecular_Weight	457.4
905	Exact_Mass	173.06880783
24027	Molecular_Weight	378.3
668390	Covalent_Unit_Count	1
6453851	Defined_Atom_Stereo_Count	0
6435801	Undefined_Bond_Stereo_Count	0
85960	Defined_Bond_Stereo_Count	0
720471	Molecular_Weight	142.18
135413544	Undefined_Atom_Stereo_Count	0
3916406	XLogP3-AA	2.3
192627	Mono_Isotopic_Weight	289.13140809
127527	Isotope_Atom_Count	0
11215	Hydrogen_Bond_Donor_Count	0
77967	Total_Formal_Charge	0
54684286	TPSA	111
31398	Non-hydrogen_Atom_Count	8
43436603	Rotatable_Bond_Count	1
6815	Molecular_Weight	382.6
73415789	TPSA	182
60947	TPSA	113
13844108	Isotope_Atom_Count	0
15475335	Non-hydrogen_Atom_Count	8
243313	Defined_Bond_Stereo_Count	0
70150	Covalent_Unit_Count	1
71209	Defined_Bond_Stereo_Count	0
5329099	Covalent_Unit_Count	1
72725	Tautomer_Count	3
198695	Rotatable_Bond_Count	1
9520	Undefined_Bond_Stereo_Count	0
523251	Defined_Atom_Stereo_Count	0
91824751	Mono_Isotopic_Weight	832.52780463
44454985	Hydrogen_Bond_Donor_Count	3
39521	Defined_Atom_Stereo_Count	0
9579050	Undefined_Bond_Stereo_Count	0
129831062	Covalent_Unit_Count	1
52921568	Mono_Isotopic_Weight	262.06234272
57345410	Non-hydrogen_Atom_Count	41
25138298	Defined_Atom_Stereo_Count	12
12210218	Hydrogen_Bond_Acceptor_Count	2
87215	Defined_Atom_Stereo_Count	0
137199650	TPSA	82.1
9883002	Tautomer_Count	1
5351447	TPSA	124
627458	Tautomer_Count	1
522693	Defined_Bond_Stereo_Count	0
30530	Total_Formal_Charge	0
93558	Mono_Isotopic_Weight	242.06261751
5280378	Total_Formal_Charge	0
12724530	Total_Formal_Charge	0
134688043	Hydrogen_Bond_Donor_Count	4
11852	Defined_Bond_Stereo_Count	0
4387	Rotatable_Bond_Count	8
53477948	Hydrogen_Bond_Donor_Count	1
13601	TPSA	40.5
13445118	Molecular_Weight	116.16
444885	Structure_Complexity	403
170249	Non-hydrogen_Atom_Count	10
79346	Covalent_Unit_Count	1
60196331	Exact_Mass	309.01312
18718394	Hydrogen_Bond_Donor_Count	0
14373	Mono_Isotopic_Weight	245.177964357
20221840	TPSA	67.8
8749	Molecular_Weight	150.18
53389	Hydrogen_Bond_Acceptor_Count	2
10403	Exact_Mass	126.104465066
153380590	XLogP3-AA	1.1
8076	Undefined_Bond_Stereo_Count	0
5282450	Hydrogen_Bond_Acceptor_Count	7
27826	TPSA	35.9
7972	TPSA	12.5
46202743	Exact_Mass	439.18083850
70783	Covalent_Unit_Count	1
73386890	Defined_Atom_Stereo_Count	0
453915	Undefined_Bond_Stereo_Count	0
117926	Mono_Isotopic_Weight	115.99320054
299801	Mono_Isotopic_Weight	114.068079557
118008485	Structure_Complexity	133
131699179	Isotope_Atom_Count	2
21914607	Exact_Mass	99.104799419
153929434	Mono_Isotopic_Weight	98.036779430
10911	Undefined_Atom_Stereo_Count	0
28759	Molecular_Weight	370.4
33838	Hydrogen_Bond_Donor_Count	2
71140	Exact_Mass	256.10341969
643312	Non-hydrogen_Atom_Count	10
5388957	Undefined_Bond_Stereo_Count	0
126494519	Molecular_Weight	365.4
338690	Defined_Bond_Stereo_Count	0
158524	Exact_Mass	280.240230259
62876	Hydrogen_Bond_Donor_Count	0
51043	Undefined_Atom_Stereo_Count	0
22225706	Mono_Isotopic_Weight	101.084063974
138672	Non-hydrogen_Atom_Count	7
81696	Non-hydrogen_Atom_Count	12
13140361	Mono_Isotopic_Weight	107.073499291
131167766	Undefined_Atom_Stereo_Count	3
2905	Exact_Mass	291.18344366
21313003	TPSA	38.9
6918502	Molecular_Weight	499.6
16049026	Rotatable_Bond_Count	13
129236	Molecular_Weight	285.75
12378	Undefined_Atom_Stereo_Count	0
13692036	Non-hydrogen_Atom_Count	12
6441606	Undefined_Atom_Stereo_Count	0
107780	Rotatable_Bond_Count	6
176879	Undefined_Bond_Stereo_Count	0
89789591	Hydrogen_Bond_Donor_Count	0
45344	Structure_Complexity	263
6421522	Mono_Isotopic_Weight	216.126263138
2472	Total_Formal_Charge	0
637552	Hydrogen_Bond_Donor_Count	1
98148765	Covalent_Unit_Count	1
50222	Non-hydrogen_Atom_Count	31
7415	Covalent_Unit_Count	1
19366304	Defined_Atom_Stereo_Count	0
134167153	Undefined_Bond_Stereo_Count	0
196987	Hydrogen_Bond_Acceptor_Count	2
733076	Structure_Complexity	393
564655	Structure_Complexity	394
76225599	Molecular_Weight	100.12
123224323	Isotope_Atom_Count	0
58420420	Undefined_Atom_Stereo_Count	0
16231	TPSA	159
20262675	Exact_Mass	112.052429494
11548000	TPSA	24.9
60196294	Undefined_Bond_Stereo_Count	1
14296	Hydrogen_Bond_Donor_Count	0
163488608	Isotope_Atom_Count	0
21564107	Non-hydrogen_Atom_Count	8
580104	Undefined_Atom_Stereo_Count	0
2737168	Defined_Bond_Stereo_Count	0
140069478	Defined_Atom_Stereo_Count	0
66558858	Rotatable_Bond_Count	3
590836	Isotope_Atom_Count	0
88212048	Defined_Atom_Stereo_Count	0
13600041	Non-hydrogen_Atom_Count	7
1491	TPSA	77.8
55299744	Hydrogen_Bond_Acceptor_Count	2
24821094	Tautomer_Count	5
6422843	Undefined_Atom_Stereo_Count	0
11800	Exact_Mass	246.0003056
68353	Undefined_Atom_Stereo_Count	0
44119936	Exact_Mass	904.44565070
29215	Hydrogen_Bond_Donor_Count	1
71773465	Non-hydrogen_Atom_Count	45
78468	TPSA	52.6
124723	Exact_Mass	128.058577502
60926	Hydrogen_Bond_Donor_Count	3
1736	Hydrogen_Bond_Donor_Count	3
739236	Structure_Complexity	236
44755146	Covalent_Unit_Count	2
122198136	Covalent_Unit_Count	2
57399429	Isotope_Atom_Count	0
4369	Mono_Isotopic_Weight	391.10895856
288	Rotatable_Bond_Count	3
6321340	Total_Formal_Charge	0
2133	Isotope_Atom_Count	0
443210	Undefined_Bond_Stereo_Count	0
33294	Undefined_Atom_Stereo_Count	0
16129778	Molecular_Weight	1701.2
12358970	Hydrogen_Bond_Acceptor_Count	8
316745	Structure_Complexity	68.9
93738	Isotope_Atom_Count	0
7997	Total_Formal_Charge	0
162883450	Mono_Isotopic_Weight	527.23263824
880	Mono_Isotopic_Weight	72.021129366
12591596	Undefined_Atom_Stereo_Count	0
71462631	Defined_Bond_Stereo_Count	0
36094	Rotatable_Bond_Count	13
42602095	Undefined_Bond_Stereo_Count	0
73553918	Defined_Bond_Stereo_Count	0
135565082	Structure_Complexity	654
133679779	Molecular_Weight	114.19
4055	Undefined_Bond_Stereo_Count	0
72899	Undefined_Bond_Stereo_Count	0
60582	Structure_Complexity	407
695356	Covalent_Unit_Count	1
849	Hydrogen_Bond_Donor_Count	2
2358	Tautomer_Count	3
44590516	Undefined_Bond_Stereo_Count	0
6281	Mono_Isotopic_Weight	764.43469209
75854	Undefined_Bond_Stereo_Count	0
140565377	Molecular_Weight	181.16
9808948	Exact_Mass	605.2575829
151263	Defined_Atom_Stereo_Count	4
12452048	Exact_Mass	112.088815002
61341	TPSA	30.2
24917008	Covalent_Unit_Count	1
1078	Isotope_Atom_Count	0
23180086	Rotatable_Bond_Count	4
12242822	Mono_Isotopic_Weight	155.142041939
69341841	Rotatable_Bond_Count	0
120738	Covalent_Unit_Count	1
284948	Hydrogen_Bond_Acceptor_Count	6
19022	Isotope_Atom_Count	0
4961971	Hydrogen_Bond_Donor_Count	2
10944	Undefined_Atom_Stereo_Count	1
35360	Covalent_Unit_Count	1
54087622	Structure_Complexity	94.4
45120389	Structure_Complexity	113
5362118	Defined_Bond_Stereo_Count	0
984454	Structure_Complexity	738
10760	Tautomer_Count	2
16170	Structure_Complexity	372
519247	Mono_Isotopic_Weight	98.073164938
9825084	Tautomer_Count	1
13792373	Defined_Atom_Stereo_Count	0
154825540	Hydrogen_Bond_Donor_Count	3
9848628	Total_Formal_Charge	0
134032	Isotope_Atom_Count	0
12995	Undefined_Atom_Stereo_Count	0
156580567	XLogP3-AA	2.9
130349042	Covalent_Unit_Count	1
15050	Mono_Isotopic_Weight	120.078644241
23678979	Defined_Atom_Stereo_Count	4
14693963	XLogP3-AA	2.1
22475	Mono_Isotopic_Weight	360.1582628
14587284	Total_Formal_Charge	0
154419142	Molecular_Weight	113.07
11355992	Structure_Complexity	87.7
54428	Total_Formal_Charge	0
27924	Total_Formal_Charge	0
445319	Structure_Complexity	70.1
53669425	Rotatable_Bond_Count	5
5473268	Defined_Bond_Stereo_Count	1
49750	Hydrogen_Bond_Donor_Count	1
10176108	Non-hydrogen_Atom_Count	7
24780	Defined_Atom_Stereo_Count	0
2795222	Total_Formal_Charge	0
11689	Structure_Complexity	585
11073351	XLogP3-AA	1.6
15567528	Undefined_Bond_Stereo_Count	0
20387203	Rotatable_Bond_Count	4
5400866	Mono_Isotopic_Weight	262.08412354
17869	Defined_Atom_Stereo_Count	0
53316407	Undefined_Bond_Stereo_Count	0
129634850	Non-hydrogen_Atom_Count	7
23064738	Total_Formal_Charge	0
8217	Defined_Bond_Stereo_Count	0
73292	Isotope_Atom_Count	0
5380876	Undefined_Atom_Stereo_Count	1
7747	Hydrogen_Bond_Donor_Count	0
10154033	Exact_Mass	116.01095860
12339648	Rotatable_Bond_Count	0
5289394	Rotatable_Bond_Count	11
13889162	Defined_Bond_Stereo_Count	0
169371	Defined_Atom_Stereo_Count	1
21921	TPSA	52
4456	Structure_Complexity	246
43876	Hydrogen_Bond_Donor_Count	0
6429029	Undefined_Atom_Stereo_Count	1
13594	Tautomer_Count	5
443201	Non-hydrogen_Atom_Count	13
8723	Exact_Mass	88.088815002
6918049	Isotope_Atom_Count	0
10855383	Undefined_Atom_Stereo_Count	0
18506428	Hydrogen_Bond_Donor_Count	2
19883311	Undefined_Atom_Stereo_Count	1
4808	Defined_Bond_Stereo_Count	0
104735	Non-hydrogen_Atom_Count	12
6096946	Exact_Mass	147.99763447
72941511	TPSA	290
14643618	Molecular_Weight	114.14
129738943	Structure_Complexity	129
529212	Total_Formal_Charge	0
136219153	Defined_Atom_Stereo_Count	0
33572	Covalent_Unit_Count	1
6994776	Exact_Mass	164.91873
582251	Defined_Bond_Stereo_Count	0
5284441	Hydrogen_Bond_Acceptor_Count	2
4369413	Mono_Isotopic_Weight	370.08480950
133611945	Exact_Mass	612.07668989
150	Hydrogen_Bond_Donor_Count	5
6992111	Structure_Complexity	146
11735949	Mono_Isotopic_Weight	209.141578849
522689	Rotatable_Bond_Count	0
7715	Isotope_Atom_Count	0
5388879	Mono_Isotopic_Weight	158.845156
162652	Non-hydrogen_Atom_Count	13
125183304	Exact_Mass	904.44565070
15980838	Total_Formal_Charge	0
21264915	Undefined_Atom_Stereo_Count	0
53486170	Hydrogen_Bond_Acceptor_Count	18
35751	TPSA	46.6
44560771	XLogP3-AA	2
20542	Exact_Mass	332.225248902
20259182	Total_Formal_Charge	0
6986	Structure_Complexity	149
136353	Molecular_Weight	86.09
85538179	Hydrogen_Bond_Acceptor_Count	3
5423	Hydrogen_Bond_Donor_Count	2
60712	Hydrogen_Bond_Donor_Count	2
2082	Non-hydrogen_Atom_Count	18
23462	Undefined_Bond_Stereo_Count	0
31157	Covalent_Unit_Count	1
88133875	Defined_Bond_Stereo_Count	0
9348	Structure_Complexity	246
4529	Non-hydrogen_Atom_Count	53
117774578	Hydrogen_Bond_Acceptor_Count	2
4617	Total_Formal_Charge	0
165598	Exact_Mass	177.04596439
28892	Rotatable_Bond_Count	12
23555879	TPSA	21.6
58024981	TPSA	50.9
7075	Undefined_Atom_Stereo_Count	0
893562	Covalent_Unit_Count	1
2393	Total_Formal_Charge	2
15066029	Structure_Complexity	57.5
168131	Non-hydrogen_Atom_Count	19
213039	Exact_Mass	547.23522170
71457955	Covalent_Unit_Count	1
1150344	XLogP3	5.3
11962143	Structure_Complexity	327
5233032	Hydrogen_Bond_Acceptor_Count	0
54370822	Undefined_Atom_Stereo_Count	0
454216	Structure_Complexity	1350
118596336	Non-hydrogen_Atom_Count	37
2795218	Molecular_Weight	113.11
671	Exact_Mass	204.04225873
90829381	Structure_Complexity	1220
7864	XLogP3-AA	0.8
10064061	Structure_Complexity	311
133914	Structure_Complexity	589
13120	Rotatable_Bond_Count	4
6437064	Mono_Isotopic_Weight	688.39751874
24635	Hydrogen_Bond_Donor_Count	0
44280082	Mono_Isotopic_Weight	257.05104977
2763	Structure_Complexity	333
921	Hydrogen_Bond_Donor_Count	2
426756	Hydrogen_Bond_Donor_Count	4
921599	TPSA	48.1
8434	Undefined_Bond_Stereo_Count	0
18273	TPSA	0
65708	Total_Formal_Charge	0
7527	Hydrogen_Bond_Acceptor_Count	1
8852	Structure_Complexity	227
87216	Undefined_Bond_Stereo_Count	0
596336	TPSA	47.6
161209	Defined_Bond_Stereo_Count	0
146683214	Isotope_Atom_Count	0
19589	Tautomer_Count	1
60165658	TPSA	71.4
3356829	Defined_Atom_Stereo_Count	0
135440068	Defined_Bond_Stereo_Count	0
71773	Defined_Bond_Stereo_Count	0
6420378	Defined_Bond_Stereo_Count	0
556485	Covalent_Unit_Count	1
535623	Rotatable_Bond_Count	0
129791	Hydrogen_Bond_Acceptor_Count	5
87635503	XLogP3-AA	0.6
456222	Undefined_Bond_Stereo_Count	0
61534	Exact_Mass	91.940821
123334	Defined_Atom_Stereo_Count	0
43580	Isotope_Atom_Count	0
12252708	Hydrogen_Bond_Donor_Count	2
8594	Defined_Bond_Stereo_Count	0
165491	Exact_Mass	665.10096317
9657	Non-hydrogen_Atom_Count	19
344644	Exact_Mass	310.15689456
5284583	Non-hydrogen_Atom_Count	12
57656232	Rotatable_Bond_Count	1
44306490	Undefined_Atom_Stereo_Count	0
455799	Isotope_Atom_Count	0
6436223	Non-hydrogen_Atom_Count	44
45357585	Undefined_Atom_Stereo_Count	0
146157727	Isotope_Atom_Count	0
14944519	Rotatable_Bond_Count	21
24901285	Molecular_Weight	546.5
1302	Exact_Mass	230.094294304
3045414	TPSA	52.5
19789137	Covalent_Unit_Count	1
3090044	Non-hydrogen_Atom_Count	14
3700118	Isotope_Atom_Count	0
31261	XLogP3	0.4
247470	Molecular_Weight	104.15
11829391	Molecular_Weight	112.17
2763750	Non-hydrogen_Atom_Count	16
17691	Defined_Atom_Stereo_Count	0
16170150	Exact_Mass	1882.07388791
22421116	Hydrogen_Bond_Donor_Count	0
24176	Total_Formal_Charge	0
134834579	Undefined_Bond_Stereo_Count	0
86209	TPSA	17.1
124518033	Mono_Isotopic_Weight	93.032697108
9561131	Molecular_Weight	170.18
10012220	Total_Formal_Charge	0
30773	Non-hydrogen_Atom_Count	16
57825223	Molecular_Weight	345.4
123304022	Molecular_Weight	102.13
55291579	Rotatable_Bond_Count	1
5289517	Isotope_Atom_Count	0
57336812	Non-hydrogen_Atom_Count	33
4919	Hydrogen_Bond_Donor_Count	1
79606	Covalent_Unit_Count	1
11531799	Rotatable_Bond_Count	7
10129	Undefined_Atom_Stereo_Count	3
134931805	XLogP3-AA	0.8
21989066	TPSA	91
7973	Covalent_Unit_Count	1
165365661	Molecular_Weight	634.5
731455	XLogP3-AA	2.7
522131	Hydrogen_Bond_Donor_Count	1
67621	Undefined_Atom_Stereo_Count	0
68535	TPSA	37.3
9584	Tautomer_Count	1
54676743	Molecular_Weight	429.4
23667626	Covalent_Unit_Count	7
76704897	Structure_Complexity	82.6
444254	Non-hydrogen_Atom_Count	44
14651092	Hydrogen_Bond_Acceptor_Count	3
5094384	Defined_Bond_Stereo_Count	0
2350	Mono_Isotopic_Weight	388.1553704
41211	Mono_Isotopic_Weight	347.06308480
97702695	Hydrogen_Bond_Donor_Count	2
21779240	Structure_Complexity	501
98808	Undefined_Atom_Stereo_Count	0
13789889	Mono_Isotopic_Weight	97.052763847
5087	Exact_Mass	278.16304257
6578	Non-hydrogen_Atom_Count	5
16807	Undefined_Bond_Stereo_Count	0
12599701	Isotope_Atom_Count	0
41690	Isotope_Atom_Count	0
139088049	Non-hydrogen_Atom_Count	44
565903	Undefined_Bond_Stereo_Count	0
49778730	TPSA	96.3
145994360	Undefined_Atom_Stereo_Count	0
116841780	Non-hydrogen_Atom_Count	8
20583864	Defined_Atom_Stereo_Count	0
10975416	Defined_Atom_Stereo_Count	0
78174	Exact_Mass	116.047344113
3237289	Rotatable_Bond_Count	6
137938996	Rotatable_Bond_Count	0
72182	Defined_Bond_Stereo_Count	0
85971419	Covalent_Unit_Count	1
694981	Tautomer_Count	2
524627	Hydrogen_Bond_Acceptor_Count	0
9303	Mono_Isotopic_Weight	509.91487
30973	Molecular_Weight	305.26
118	Molecular_Weight	87.12
87310	Exact_Mass	177.04596439
2522	Total_Formal_Charge	0
2724039	Defined_Bond_Stereo_Count	0
11959770	Molecular_Weight	182.14
15816	Isotope_Atom_Count	0
25130088	Exact_Mass	462.27432435
3052	Rotatable_Bond_Count	2
23681223	Structure_Complexity	332
66646	Molecular_Weight	171.58
439524	Mono_Isotopic_Weight	131.094628657
6742	Hydrogen_Bond_Acceptor_Count	4
18442682	Isotope_Atom_Count	0
68760	Non-hydrogen_Atom_Count	20
21859	Structure_Complexity	212
61663	Non-hydrogen_Atom_Count	8
16760265	Mono_Isotopic_Weight	534.03373
46911956	TPSA	21.3
91850189	Undefined_Bond_Stereo_Count	0
69340949	Structure_Complexity	151
541123	Exact_Mass	380.19990218
12459572	Molecular_Weight	116.16
110862	Structure_Complexity	66.9
56518	Defined_Bond_Stereo_Count	0
15927	Tautomer_Count	1
3164	XLogP3-AA	2.3
59202444	Defined_Bond_Stereo_Count	0
68191	Hydrogen_Bond_Donor_Count	0
11655511	XLogP3-AA	2.8
19239	Exact_Mass	102.079312947
95187	Undefined_Atom_Stereo_Count	0
54675854	Exact_Mass	151.039519081
182951	Undefined_Atom_Stereo_Count	0
10405997	Exact_Mass	356.23514488
8685	Rotatable_Bond_Count	6
70634430	Rotatable_Bond_Count	0
155903675	TPSA	186
27960	Mono_Isotopic_Weight	255.961333
91410	Hydrogen_Bond_Donor_Count	0
4389	Exact_Mass	215.07937252
9993	Covalent_Unit_Count	1
544588	Defined_Atom_Stereo_Count	0
63045	Hydrogen_Bond_Acceptor_Count	7
24480	Exact_Mass	124.875748
37646	Tautomer_Count	1
44629593	Hydrogen_Bond_Donor_Count	5
4740	Exact_Mass	278.13789045
14251035	TPSA	35.5
53956290	Rotatable_Bond_Count	4
24847750	Rotatable_Bond_Count	1
34072	Molecular_Weight	114.19
51038316	Tautomer_Count	9
165558	Hydrogen_Bond_Acceptor_Count	12
11477652	TPSA	83.8
65726	Rotatable_Bond_Count	0
97205	Covalent_Unit_Count	1
531	Structure_Complexity	1450
37448	Covalent_Unit_Count	5
44338967	Defined_Atom_Stereo_Count	0
186183	Mono_Isotopic_Weight	238.056
10669	Covalent_Unit_Count	1
471161	Isotope_Atom_Count	0
19012	Hydrogen_Bond_Donor_Count	2
16161850	Covalent_Unit_Count	1
42006	Total_Formal_Charge	0
123634	Mono_Isotopic_Weight	900.55401938
6604893	Exact_Mass	244.08120465
7185	Covalent_Unit_Count	1
45934310	Hydrogen_Bond_Donor_Count	5
53490	TPSA	72.7
69061828	Undefined_Atom_Stereo_Count	0
10948	Rotatable_Bond_Count	4
163090690	Exact_Mass	842.51400504
139073990	Structure_Complexity	415
75786	TPSA	26.3
71644	XLogP3-AA	3.9
6539005	Undefined_Atom_Stereo_Count	1
60813	Defined_Bond_Stereo_Count	0
6917762	Covalent_Unit_Count	1
59296041	Rotatable_Bond_Count	8
56993535	Undefined_Bond_Stereo_Count	0
25590	Hydrogen_Bond_Donor_Count	3
78123	Structure_Complexity	177
54708299	Undefined_Atom_Stereo_Count	2
152306	Total_Formal_Charge	0
34148	Molecular_Weight	368.4
1175	Defined_Atom_Stereo_Count	0
55297293	Defined_Atom_Stereo_Count	0
516892	Rotatable_Bond_Count	0
68576	Undefined_Bond_Stereo_Count	0
118176200	Defined_Bond_Stereo_Count	0
3062280	Rotatable_Bond_Count	8
12006600	Mono_Isotopic_Weight	100.052429494
62525	Mono_Isotopic_Weight	431.0002508
6857474	Total_Formal_Charge	0
10047003	Structure_Complexity	533
9933004	Rotatable_Bond_Count	6
7584	TPSA	20.2
19043571	Isotope_Atom_Count	0
23581869	Tautomer_Count	7
8009	XLogP3	0.4
5810	Rotatable_Bond_Count	1
96227	Structure_Complexity	252
13639781	Molecular_Weight	107.11
47703	Isotope_Atom_Count	0
93519	Non-hydrogen_Atom_Count	16
74506	Isotope_Atom_Count	0
11542775	Hydrogen_Bond_Acceptor_Count	2
41257	Defined_Bond_Stereo_Count	0
123661139	Isotope_Atom_Count	0
444266	Rotatable_Bond_Count	2
2332	Hydrogen_Bond_Acceptor_Count	1
14667	Hydrogen_Bond_Donor_Count	1
91996283	Hydrogen_Bond_Acceptor_Count	4
5375177	Tautomer_Count	104
84883	Hydrogen_Bond_Donor_Count	0
6604909	Defined_Bond_Stereo_Count	0
88483	Undefined_Bond_Stereo_Count	0
49652396	Mono_Isotopic_Weight	1201.84136802
108381	Hydrogen_Bond_Donor_Count	2
11152667	Hydrogen_Bond_Donor_Count	4
24946456	Defined_Bond_Stereo_Count	0
12095228	Exact_Mass	250.09872823
9568637	Covalent_Unit_Count	11
289807	Structure_Complexity	366
72165	Defined_Atom_Stereo_Count	2
23480	Hydrogen_Bond_Donor_Count	1
165363121	XLogP3-AA	3.2
7201	Non-hydrogen_Atom_Count	10
123871431	XLogP3-AA	2.6
96809	Isotope_Atom_Count	0
76241	Undefined_Bond_Stereo_Count	0
3890	Mono_Isotopic_Weight	432.28757437
25552	Rotatable_Bond_Count	0
158144361	Total_Formal_Charge	0
65718	Undefined_Atom_Stereo_Count	0
5318537	Undefined_Atom_Stereo_Count	0
86278348	Undefined_Atom_Stereo_Count	0
21071390	Hydrogen_Bond_Acceptor_Count	7
10329273	Rotatable_Bond_Count	0
40841	Covalent_Unit_Count	1
681701	Undefined_Bond_Stereo_Count	1
12551755	Hydrogen_Bond_Acceptor_Count	2
6413	Total_Formal_Charge	0
1095	Defined_Bond_Stereo_Count	0
71072034	Molecular_Weight	491.4
157464	Total_Formal_Charge	0
25262965	Molecular_Weight	465.5
2752647	TPSA	17.1
11251803	Exact_Mass	1128.4683246
71560031	Non-hydrogen_Atom_Count	33
9949821	Covalent_Unit_Count	1
91528	Hydrogen_Bond_Acceptor_Count	4
13740445	Molecular_Weight	97.12
8194	Defined_Bond_Stereo_Count	0
10953	Isotope_Atom_Count	0
19375416	Defined_Atom_Stereo_Count	0
27967	Defined_Atom_Stereo_Count	0
91583	Rotatable_Bond_Count	5
6971098	Hydrogen_Bond_Donor_Count	5
5382	Total_Formal_Charge	0
11210173	Structure_Complexity	449
14964043	Mono_Isotopic_Weight	97.052763847
131695	Defined_Atom_Stereo_Count	0
9928181	Hydrogen_Bond_Donor_Count	3
129671450	Molecular_Weight	71.08
77058	XLogP3-AA	3.2
10181729	TPSA	63.2
213040	Non-hydrogen_Atom_Count	36
69640	Isotope_Atom_Count	0
475320	Structure_Complexity	1080
572717	Hydrogen_Bond_Acceptor_Count	0
20055109	Covalent_Unit_Count	1
518605	Molecular_Weight	395.68
69913	Defined_Atom_Stereo_Count	0
52945794	Mono_Isotopic_Weight	293.19909372
77579	Defined_Atom_Stereo_Count	0
16132416	Molecular_Weight	3505.9
6913	Isotope_Atom_Count	0
113415	XLogP3-AA	9
65719	Non-hydrogen_Atom_Count	21
1474853	Defined_Atom_Stereo_Count	0
448653	Undefined_Bond_Stereo_Count	0
8909	Non-hydrogen_Atom_Count	9
445858	Isotope_Atom_Count	0
672	Molecular_Weight	326.31
18980	XLogP3-AA	0.5
40855	TPSA	132
977	Tautomer_Count	1
13415147	Undefined_Atom_Stereo_Count	0
5479527	Exact_Mass	455.05694025
128934	Tautomer_Count	1
11386747	TPSA	79.4
23671691	Exact_Mass	396.17029089
19375004	Total_Formal_Charge	0
133627802	Hydrogen_Bond_Acceptor_Count	1
68321947	Non-hydrogen_Atom_Count	28
89504167	Structure_Complexity	284
13197669	Hydrogen_Bond_Donor_Count	1
6328	Mono_Isotopic_Weight	141.92795
87280032	Isotope_Atom_Count	0
91742	Covalent_Unit_Count	1
77881	Hydrogen_Bond_Donor_Count	0
86790	Defined_Atom_Stereo_Count	0
139292146	Total_Formal_Charge	0
87478594	Total_Formal_Charge	0
102590130	Total_Formal_Charge	0
5016	Defined_Atom_Stereo_Count	0
16976	Mono_Isotopic_Weight	139.026943022
59420042	Hydrogen_Bond_Donor_Count	0
96004	Undefined_Atom_Stereo_Count	0
85944	TPSA	17.1
17857	Mono_Isotopic_Weight	170.178298710
54405	Structure_Complexity	442
119904	Exact_Mass	231.851285
10141893	Defined_Atom_Stereo_Count	0
11537871	Defined_Atom_Stereo_Count	0
54150248	TPSA	38.4
6451481	Mono_Isotopic_Weight	105.057849228
89859387	Non-hydrogen_Atom_Count	8
70070	Undefined_Atom_Stereo_Count	0
22023476	Total_Formal_Charge	0
31226	Hydrogen_Bond_Donor_Count	0
11565240	XLogP3-AA	1.2
593	Covalent_Unit_Count	1
9576811	TPSA	150
104977	XLogP3	4.2
9958041	Tautomer_Count	2
118008485	Undefined_Bond_Stereo_Count	0
89390	Undefined_Bond_Stereo_Count	0
133082588	Undefined_Bond_Stereo_Count	0
14911569	TPSA	29.6
6452618	Defined_Atom_Stereo_Count	0
3045406	Molecular_Weight	317.9
5325504	Undefined_Bond_Stereo_Count	0
564184	Molecular_Weight	92.10
136323	XLogP3-AA	2
7499	Defined_Atom_Stereo_Count	0
16212247	Covalent_Unit_Count	1
12101	Defined_Bond_Stereo_Count	0
48384	Exact_Mass	271.1339066
53846429	Hydrogen_Bond_Donor_Count	3
16412	TPSA	28.3
14911569	Molecular_Weight	100.12
72466	Undefined_Atom_Stereo_Count	9
131954609	Undefined_Atom_Stereo_Count	0
77014	Non-hydrogen_Atom_Count	11
59964826	Defined_Atom_Stereo_Count	0
40463608	Rotatable_Bond_Count	0
69903	Exact_Mass	207.08954328
692791	Structure_Complexity	395
67277	Defined_Bond_Stereo_Count	0
119086019	Hydrogen_Bond_Acceptor_Count	4
29656	Hydrogen_Bond_Acceptor_Count	1
10322586	Defined_Atom_Stereo_Count	1
62130	Tautomer_Count	1
6638	Undefined_Atom_Stereo_Count	0
295764	Isotope_Atom_Count	0
549318	Hydrogen_Bond_Acceptor_Count	1
6956324	Hydrogen_Bond_Acceptor_Count	3
69571381	Exact_Mass	114.031694049
87349895	Molecular_Weight	419.7
94647	Tautomer_Count	1
160722	Covalent_Unit_Count	1
19067998	Undefined_Bond_Stereo_Count	0
71719928	Molecular_Weight	525.6
25315	Undefined_Atom_Stereo_Count	1
527	XLogP3	0.6
55352	Mono_Isotopic_Weight	261.172878976
20490762	TPSA	62.8
24892843	Structure_Complexity	302
162955682	Isotope_Atom_Count	0
756	Rotatable_Bond_Count	1
2737793	Exact_Mass	109.052763847
6165177	Hydrogen_Bond_Acceptor_Count	9
87592747	Total_Formal_Charge	0
2160	Covalent_Unit_Count	1
16197727	Non-hydrogen_Atom_Count	118
13073879	Undefined_Atom_Stereo_Count	0
46490	TPSA	128
44719848	Defined_Bond_Stereo_Count	0
158150	Undefined_Bond_Stereo_Count	0
12595141	Undefined_Bond_Stereo_Count	0
16051495	Defined_Bond_Stereo_Count	0
18798529	Structure_Complexity	94.2
88898	Hydrogen_Bond_Acceptor_Count	1
54248989	Rotatable_Bond_Count	2
28961	Exact_Mass	73.016378338
548678	TPSA	29.1
525785	Undefined_Bond_Stereo_Count	0
10975410	XLogP3-AA	0.7
146159626	Hydrogen_Bond_Acceptor_Count	6
135409471	Molecular_Weight	314.17
9189	TPSA	12.9
14577080	Molecular_Weight	285.8
24866519	Undefined_Bond_Stereo_Count	0
24728610	Undefined_Bond_Stereo_Count	0
77589	TPSA	57.5
37511	Mono_Isotopic_Weight	103.099714038
12681	XLogP3	0.7
151473	Isotope_Atom_Count	0
7075	XLogP3	2.6
67301	Hydrogen_Bond_Acceptor_Count	5
10914	TPSA	27.7
115140	Molecular_Weight	344.06
65889	Defined_Bond_Stereo_Count	0
2799	XLogP3-AA	8.1
428338	Hydrogen_Bond_Donor_Count	2
9964481	Undefined_Atom_Stereo_Count	0
256930	Molecular_Weight	247.09
101882103	Hydrogen_Bond_Donor_Count	0
6437380	Hydrogen_Bond_Acceptor_Count	2
71809	Undefined_Atom_Stereo_Count	0
5727	Rotatable_Bond_Count	0
119058036	Hydrogen_Bond_Donor_Count	61
693165	Hydrogen_Bond_Acceptor_Count	3
53490	Hydrogen_Bond_Donor_Count	2
85985944	Hydrogen_Bond_Donor_Count	0
69070	Rotatable_Bond_Count	0
21638785	Mono_Isotopic_Weight	263.0825398
61828	Total_Formal_Charge	0
18195	Undefined_Bond_Stereo_Count	0
71359012	Hydrogen_Bond_Acceptor_Count	1
5354789	Exact_Mass	205.085126602
13761352	XLogP3-AA	1.3
153997402	Total_Formal_Charge	0
459971	Mono_Isotopic_Weight	376.19106883
13684986	Total_Formal_Charge	0
25015695	Covalent_Unit_Count	1
44454986	Non-hydrogen_Atom_Count	27
19820834	Rotatable_Bond_Count	1
60137	Total_Formal_Charge	0
605283	Tautomer_Count	15
7459	Tautomer_Count	1
2171	Defined_Bond_Stereo_Count	0
44190553	Undefined_Atom_Stereo_Count	0
70002683	Exact_Mass	98.036779430
22902239	Isotope_Atom_Count	0
3922	Undefined_Atom_Stereo_Count	0
73353577	Defined_Bond_Stereo_Count	0
12425338	Defined_Atom_Stereo_Count	0
123928307	Total_Formal_Charge	0
5702114	Defined_Bond_Stereo_Count	0
5237030	Molecular_Weight	142.11
400010	Defined_Bond_Stereo_Count	0
25071151	Defined_Atom_Stereo_Count	0
59519119	Hydrogen_Bond_Acceptor_Count	1
79635	Non-hydrogen_Atom_Count	9
46552	Undefined_Atom_Stereo_Count	0
73114967	Undefined_Bond_Stereo_Count	0
7020094	Molecular_Weight	270.24
65823	TPSA	23.5
11954310	Exact_Mass	452.32904526
141	Defined_Bond_Stereo_Count	0
56120	Mono_Isotopic_Weight	292.0017622
137699107	Structure_Complexity	329
20442	Hydrogen_Bond_Acceptor_Count	10
136458760	Covalent_Unit_Count	1
74170	Non-hydrogen_Atom_Count	6
5310983	Isotope_Atom_Count	0
53741494	Covalent_Unit_Count	1
449381	Hydrogen_Bond_Acceptor_Count	5
2757950	TPSA	61.1
99646540	Total_Formal_Charge	0
30185	Molecular_Weight	868.1
11600	Structure_Complexity	48.4
94973	Undefined_Atom_Stereo_Count	0
71500036	Covalent_Unit_Count	1
97627	Covalent_Unit_Count	1
66965363	Defined_Bond_Stereo_Count	0
93205	Tautomer_Count	3
28369	Exact_Mass	126.068079557
146158974	Structure_Complexity	691
5151436	Total_Formal_Charge	0
135445058	Tautomer_Count	13
79117672	Undefined_Bond_Stereo_Count	0
6918543	Defined_Atom_Stereo_Count	0
20096720	Non-hydrogen_Atom_Count	8
5271569	Molecular_Weight	228.28
535634	Exact_Mass	81.057849228
716121	Mono_Isotopic_Weight	274.1236763
55466	Undefined_Atom_Stereo_Count	0
587311	Rotatable_Bond_Count	2
14297259	Molecular_Weight	96.17
90258	Structure_Complexity	200
178145	Mono_Isotopic_Weight	359.17077098
6537	Defined_Atom_Stereo_Count	0
46835725	Tautomer_Count	1
4017	Isotope_Atom_Count	0
76538	Exact_Mass	337.941786
161810	Structure_Complexity	66.7
54594881	Hydrogen_Bond_Donor_Count	1
70689792	Exact_Mass	462.19031994
124005380	XLogP3-AA	3.1
43513	Defined_Bond_Stereo_Count	0
11256587	Tautomer_Count	42
443980	Rotatable_Bond_Count	5
48838	Exact_Mass	193.110278721
71309852	Non-hydrogen_Atom_Count	12
3169	Hydrogen_Bond_Acceptor_Count	4
19077486	Undefined_Bond_Stereo_Count	0
6410758	Total_Formal_Charge	0
10250	Hydrogen_Bond_Donor_Count	2
64465	Hydrogen_Bond_Acceptor_Count	4
28615	Undefined_Bond_Stereo_Count	0
86222	Non-hydrogen_Atom_Count	26
94915	TPSA	60.9
10350317	Mono_Isotopic_Weight	785.59345564
23158380	Defined_Atom_Stereo_Count	0
134158431	Hydrogen_Bond_Donor_Count	0
135474265	Non-hydrogen_Atom_Count	20
5249080	Non-hydrogen_Atom_Count	12
30295	Mono_Isotopic_Weight	265.204179104
47979	Total_Formal_Charge	0
15008	Molecular_Weight	196.20
39075	Covalent_Unit_Count	1
905	Covalent_Unit_Count	1
5311035	Exact_Mass	408.28757437
35922	TPSA	21.7
70846	Isotope_Atom_Count	0
71458922	Mono_Isotopic_Weight	462.27432435
21490219	Non-hydrogen_Atom_Count	7
11206	XLogP3-AA	2.7
909750	Structure_Complexity	528
156651923	Mono_Isotopic_Weight	114.068079557
76223467	XLogP3-AA	0.2
67488	Non-hydrogen_Atom_Count	10
68862	Covalent_Unit_Count	1
57166	Covalent_Unit_Count	1
5353356	Exact_Mass	198.03890469
53319118	Isotope_Atom_Count	0
4759	Undefined_Atom_Stereo_Count	4
3580	Defined_Bond_Stereo_Count	0
98685	Mono_Isotopic_Weight	240.126263138
646135	Hydrogen_Bond_Donor_Count	2
88024860	Defined_Bond_Stereo_Count	0
131460	Isotope_Atom_Count	0
11282394	Covalent_Unit_Count	1
3854	Hydrogen_Bond_Donor_Count	3
164179927	TPSA	95.7
70500258	Hydrogen_Bond_Acceptor_Count	3
91980486	Covalent_Unit_Count	2
9863447	Undefined_Atom_Stereo_Count	0
11711595	Isotope_Atom_Count	0
629365	Mono_Isotopic_Weight	319.9941749
51158	Covalent_Unit_Count	1
23675242	Covalent_Unit_Count	2
17381	Total_Formal_Charge	0
7611	Undefined_Bond_Stereo_Count	0
2308	XLogP3	2.2
176448	Mono_Isotopic_Weight	148.052429494
842090	Defined_Bond_Stereo_Count	0
9548810	Isotope_Atom_Count	0
44338773	Defined_Bond_Stereo_Count	0
74267	XLogP3-AA	5.9
25273227	Isotope_Atom_Count	0
20660020	Hydrogen_Bond_Donor_Count	1
9895264	Covalent_Unit_Count	1
77097	Rotatable_Bond_Count	4
5639	TPSA	68.4
57270176	Rotatable_Bond_Count	4
71541190	Structure_Complexity	230
4475	Isotope_Atom_Count	0
83167	Mono_Isotopic_Weight	209.04365571
641768	Defined_Atom_Stereo_Count	2
91726	Molecular_Weight	232.23
142647132	Mono_Isotopic_Weight	115.063328530
3852430	Undefined_Atom_Stereo_Count	0
23925	Undefined_Bond_Stereo_Count	0
24963	Isotope_Atom_Count	0
708857	Structure_Complexity	248
11818	TPSA	91.6
117265544	Defined_Bond_Stereo_Count	0
20378083	Defined_Atom_Stereo_Count	0
9984374	Covalent_Unit_Count	1
40273	Total_Formal_Charge	0
6437405	Defined_Bond_Stereo_Count	1
5352982	Total_Formal_Charge	0
1519404	Total_Formal_Charge	0
25066467	Isotope_Atom_Count	0
68802	Covalent_Unit_Count	1
11178958	Undefined_Bond_Stereo_Count	0
75779	Covalent_Unit_Count	1
521807	TPSA	0
16218643	Molecular_Weight	430.6
19973	Total_Formal_Charge	0
60196293	Total_Formal_Charge	0
22053930	Hydrogen_Bond_Acceptor_Count	2
820	Molecular_Weight	2028.4
8627	Isotope_Atom_Count	0
10357919	Structure_Complexity	390
69253	Structure_Complexity	133
11643	Undefined_Bond_Stereo_Count	0
21547072	Undefined_Atom_Stereo_Count	0
2014	Molecular_Weight	288.73
25117126	Undefined_Bond_Stereo_Count	0
440466	Defined_Atom_Stereo_Count	9
348554	TPSA	41.5
14246795	Structure_Complexity	124
688363	Structure_Complexity	276
455799	Covalent_Unit_Count	2
54751657	Defined_Atom_Stereo_Count	4
3048339	Non-hydrogen_Atom_Count	17
19040	Structure_Complexity	59.4
22843	Covalent_Unit_Count	1
145458257	Isotope_Atom_Count	0
517277	Non-hydrogen_Atom_Count	5
13612	Defined_Bond_Stereo_Count	0
71382907	Structure_Complexity	131
12231139	XLogP3-AA	1.2
57687	Hydrogen_Bond_Acceptor_Count	4
5358751	TPSA	229
24611	Hydrogen_Bond_Acceptor_Count	0
6894	Non-hydrogen_Atom_Count	9
72210	Defined_Atom_Stereo_Count	3
24621	Rotatable_Bond_Count	0
2144	Mono_Isotopic_Weight	331.12019195
765	Isotope_Atom_Count	0
71309028	Undefined_Atom_Stereo_Count	0
91556	Rotatable_Bond_Count	11
22264	Hydrogen_Bond_Donor_Count	3
82418995	TPSA	75.8
939	Exact_Mass	335.06442747
31393	Exact_Mass	377.786786
44590447	Covalent_Unit_Count	1
2114	Exact_Mass	246.00579001
743492	TPSA	24.9
244867	Total_Formal_Charge	0
92222	Molecular_Weight	197.19
9789	Structure_Complexity	146
6506221	Undefined_Bond_Stereo_Count	0
51086	Defined_Atom_Stereo_Count	0
5363548	Undefined_Atom_Stereo_Count	0
91329391	Hydrogen_Bond_Acceptor_Count	1
71387	Hydrogen_Bond_Donor_Count	1
3598	Total_Formal_Charge	0
5946	Tautomer_Count	1
41478	Tautomer_Count	1
86266	Tautomer_Count	1
28692	TPSA	23.6
139079814	Defined_Atom_Stereo_Count	0
23525993	Isotope_Atom_Count	0
72187524	Covalent_Unit_Count	3
56846351	Rotatable_Bond_Count	4
11306073	Hydrogen_Bond_Donor_Count	6
520540	Undefined_Bond_Stereo_Count	0
2237	Undefined_Atom_Stereo_Count	3
21954272	Structure_Complexity	30.9
51701	Rotatable_Bond_Count	7
17811	Rotatable_Bond_Count	3
16204922	Mono_Isotopic_Weight	330.08680324
3000226	Exact_Mass	516.34508925
39230	Undefined_Bond_Stereo_Count	0
763	Covalent_Unit_Count	1
11350631	XLogP3-AA	5.4
9839306	Non-hydrogen_Atom_Count	22
5459213	Defined_Bond_Stereo_Count	0
11707110	Defined_Atom_Stereo_Count	0
13480954	XLogP3-AA	0.3
3073200	Molecular_Weight	246.21
466959	TPSA	177
935707	XLogP3-AA	4.2
69949	Non-hydrogen_Atom_Count	8
3340152	Structure_Complexity	115
185498	Mono_Isotopic_Weight	97.905404
9907093	Structure_Complexity	710
3080557	Undefined_Bond_Stereo_Count	0
194519	Undefined_Bond_Stereo_Count	0
24906324	Hydrogen_Bond_Donor_Count	3
92100	Rotatable_Bond_Count	3
21322953	Mono_Isotopic_Weight	113.047678466
2735362	Undefined_Bond_Stereo_Count	0
21831691	Hydrogen_Bond_Acceptor_Count	2
138718771	Mono_Isotopic_Weight	100.100048391
413542	Isotope_Atom_Count	0
72090	Molecular_Weight	437.6
17884	Undefined_Bond_Stereo_Count	0
28803	Defined_Atom_Stereo_Count	0
57433782	Undefined_Bond_Stereo_Count	0
12609619	Structure_Complexity	106
1549065	Hydrogen_Bond_Donor_Count	1
12321786	Undefined_Atom_Stereo_Count	0
575101	Mono_Isotopic_Weight	221.10519334
20839605	Defined_Atom_Stereo_Count	0
519599	Rotatable_Bond_Count	2
20226581	TPSA	45.4
101130	Structure_Complexity	122
12394844	Defined_Bond_Stereo_Count	0
91899080	XLogP3-AA	2.2
143716909	Exact_Mass	112.088815002
31876	Isotope_Atom_Count	0
145721938	Structure_Complexity	596
75690	Hydrogen_Bond_Acceptor_Count	3
11097730	Undefined_Atom_Stereo_Count	0
10446567	Exact_Mass	283.11431873
7118	Covalent_Unit_Count	1
332226	Hydrogen_Bond_Acceptor_Count	3
283	Isotope_Atom_Count	0
19602	TPSA	13.1
44560807	Covalent_Unit_Count	1
75496	Rotatable_Bond_Count	4
57160816	Hydrogen_Bond_Acceptor_Count	3
19507	Mono_Isotopic_Weight	125.084063974
89759530	Non-hydrogen_Atom_Count	8
13249050	Undefined_Atom_Stereo_Count	0
70695654	Total_Formal_Charge	0
545698	Isotope_Atom_Count	0
139086112	Defined_Bond_Stereo_Count	0
73219	Exact_Mass	234.161979940
76965007	Structure_Complexity	506
8275	Rotatable_Bond_Count	4
6918483	Defined_Atom_Stereo_Count	7
164705778	Molecular_Weight	342.30
78959	XLogP3-AA	4.2
154091501	Undefined_Bond_Stereo_Count	0
441364	Exact_Mass	503.2802365
632	Hydrogen_Bond_Donor_Count	2
4809	XLogP3-AA	2.8
66091	Tautomer_Count	2
68254185	Isotope_Atom_Count	0
73049652	Mono_Isotopic_Weight	958.10256
56834578	Covalent_Unit_Count	1
19787449	Total_Formal_Charge	0
1638753	TPSA	95.4
7059571	Structure_Complexity	490
846269	Non-hydrogen_Atom_Count	25
15109	Hydrogen_Bond_Acceptor_Count	4
78457	Defined_Atom_Stereo_Count	1
87119	Mono_Isotopic_Weight	460.30361836
6435507	Rotatable_Bond_Count	13
21019405	TPSA	50.1
145925690	Total_Formal_Charge	0
141161	Molecular_Weight	136.3
96129	Undefined_Bond_Stereo_Count	0
22002688	Isotope_Atom_Count	0
994360	XLogP3-AA	3.4
31762	Rotatable_Bond_Count	1
3095	Non-hydrogen_Atom_Count	28
6451481	Hydrogen_Bond_Acceptor_Count	1
2308	Molecular_Weight	408.9
5329103	Covalent_Unit_Count	1
14926651	Undefined_Bond_Stereo_Count	0
8395	Structure_Complexity	492
7508	Mono_Isotopic_Weight	110.073164938
48807	Hydrogen_Bond_Acceptor_Count	3
62495	Mono_Isotopic_Weight	325.16779360
53385579	Mono_Isotopic_Weight	347.15935417
60196312	Total_Formal_Charge	0
14803791	TPSA	26.3
604519	Hydrogen_Bond_Acceptor_Count	2
45588096	Defined_Bond_Stereo_Count	0
11182575	Molecular_Weight	98.14
49796490	Defined_Bond_Stereo_Count	1
15575778	Covalent_Unit_Count	1
4167	TPSA	28.5
19896519	Mono_Isotopic_Weight	96.068748264
6439447	Mono_Isotopic_Weight	640.20885023
9821547	Structure_Complexity	485
137326482	Defined_Bond_Stereo_Count	0
92470	Exact_Mass	255.02014356
13015	Mono_Isotopic_Weight	137.0032268
42611099	Exact_Mass	316.240230259
3081420	TPSA	0
8995	XLogP3	2.6
16003	Isotope_Atom_Count	0
42208	Structure_Complexity	716
16204478	Hydrogen_Bond_Acceptor_Count	5
24900874	TPSA	128
91618345	Covalent_Unit_Count	1
36054	Molecular_Weight	184.28
4954	Hydrogen_Bond_Donor_Count	2
137332389	Mono_Isotopic_Weight	1354.567399
164652	Rotatable_Bond_Count	4
91442807	XLogP3-AA	5.1
155971294	Covalent_Unit_Count	1
10096946	Mono_Isotopic_Weight	486.1128541
9821945	Structure_Complexity	532
78006	Total_Formal_Charge	0
10113978	Covalent_Unit_Count	1
520668	Hydrogen_Bond_Donor_Count	0
12415356	TPSA	45.4
4160	Hydrogen_Bond_Acceptor_Count	2
10991489	Rotatable_Bond_Count	4
126769	Hydrogen_Bond_Donor_Count	2
67805120	Hydrogen_Bond_Acceptor_Count	0
47288	Non-hydrogen_Atom_Count	22
13318273	Hydrogen_Bond_Donor_Count	0
521131	Isotope_Atom_Count	0
27991	Defined_Bond_Stereo_Count	0
9900	Defined_Bond_Stereo_Count	0
26440	Defined_Atom_Stereo_Count	0
31310	Hydrogen_Bond_Acceptor_Count	13
53472153	Defined_Atom_Stereo_Count	0
54581904	Hydrogen_Bond_Acceptor_Count	4
439501	Molecular_Weight	584.7
23926	Covalent_Unit_Count	1
72758138	Isotope_Atom_Count	0
12486	Isotope_Atom_Count	0
133688117	Defined_Atom_Stereo_Count	4
21252133	Total_Formal_Charge	0
53389094	TPSA	74.6
81278	Mono_Isotopic_Weight	167.131014166
2745	Undefined_Bond_Stereo_Count	0
22947	Undefined_Bond_Stereo_Count	0
2890	Exact_Mass	247.12084340
5230729	Isotope_Atom_Count	0
2398	Hydrogen_Bond_Acceptor_Count	3
119432	TPSA	1
443157	Tautomer_Count	2
70399533	Total_Formal_Charge	0
137553931	Defined_Bond_Stereo_Count	0
22185288	Isotope_Atom_Count	0
12695795	Hydrogen_Bond_Donor_Count	1
82993	Hydrogen_Bond_Donor_Count	0
228005	TPSA	0
534753	Isotope_Atom_Count	0
168556	Mono_Isotopic_Weight	148.125200510
441189	Mono_Isotopic_Weight	240.13347377
165857173	Undefined_Atom_Stereo_Count	1
109014	Defined_Bond_Stereo_Count	0
163432987	Hydrogen_Bond_Acceptor_Count	3
21997268	Isotope_Atom_Count	0
65463	Non-hydrogen_Atom_Count	33
25127713	Defined_Atom_Stereo_Count	0
836041	Hydrogen_Bond_Acceptor_Count	2
1146	Hydrogen_Bond_Donor_Count	0
74745	Isotope_Atom_Count	0
88984133	Exact_Mass	104.094963011
319771	Tautomer_Count	5
5964	Hydrogen_Bond_Donor_Count	0
46968	Undefined_Atom_Stereo_Count	0
15287162	Defined_Atom_Stereo_Count	3
27465	Molecular_Weight	322.0
11064502	Hydrogen_Bond_Acceptor_Count	7
15773	Rotatable_Bond_Count	9
67030919	Defined_Bond_Stereo_Count	0
86154978	Hydrogen_Bond_Acceptor_Count	10
24228	Covalent_Unit_Count	1
49864532	Exact_Mass	343.1199879
2724995	Defined_Bond_Stereo_Count	0
11105655	Hydrogen_Bond_Acceptor_Count	2
18233	Molecular_Weight	102.09
14986	Total_Formal_Charge	0
88920522	Hydrogen_Bond_Acceptor_Count	3
91474	Total_Formal_Charge	0
23667299	Hydrogen_Bond_Donor_Count	3
447634	Mono_Isotopic_Weight	230.01915430
22960	Isotope_Atom_Count	0
834999	Isotope_Atom_Count	0
70002683	Undefined_Bond_Stereo_Count	0
11616111	Mono_Isotopic_Weight	278.0128057
129800396	Defined_Bond_Stereo_Count	0
219099	Total_Formal_Charge	0
4451502	TPSA	54.4
21834700	Total_Formal_Charge	0
143061	Isotope_Atom_Count	0
2733484	Undefined_Bond_Stereo_Count	0
825784	Hydrogen_Bond_Acceptor_Count	2
6436860	Hydrogen_Bond_Donor_Count	1
15012	Hydrogen_Bond_Acceptor_Count	1
673970	Defined_Bond_Stereo_Count	0
58340	Mono_Isotopic_Weight	293.1546421
5538	XLogP3	6.3
2123	Isotope_Atom_Count	0
139099	Exact_Mass	100.088815002
24916942	Exact_Mass	654.27615838
132941102	Isotope_Atom_Count	0
22660	Hydrogen_Bond_Donor_Count	1
49862629	Undefined_Atom_Stereo_Count	1
15558640	Mono_Isotopic_Weight	302.18819469
76152	Defined_Atom_Stereo_Count	0
18984686	Total_Formal_Charge	0
2723787	Rotatable_Bond_Count	0
16059	Defined_Bond_Stereo_Count	0
6918386	TPSA	109
71309129	Non-hydrogen_Atom_Count	12
16758827	Rotatable_Bond_Count	4
72764	Tautomer_Count	2
3392	Isotope_Atom_Count	0
6369059	Total_Formal_Charge	1
22091090	Covalent_Unit_Count	1
136750	Rotatable_Bond_Count	1
83465	Defined_Bond_Stereo_Count	0
102565432	Total_Formal_Charge	0
66587385	Non-hydrogen_Atom_Count	7
15535273	Non-hydrogen_Atom_Count	7
12369703	Defined_Atom_Stereo_Count	0
52947518	Undefined_Atom_Stereo_Count	0
52943333	TPSA	67.9
141772581	Defined_Atom_Stereo_Count	0
23081366	Defined_Atom_Stereo_Count	0
163878463	Undefined_Bond_Stereo_Count	0
44319	Structure_Complexity	339
102102069	Rotatable_Bond_Count	2
9180	Exact_Mass	229.089149355
7861	Structure_Complexity	17.2
10239769	Undefined_Bond_Stereo_Count	0
129649958	Exact_Mass	111.043261792
7910	Isotope_Atom_Count	0
135761165	TPSA	215
13347992	Covalent_Unit_Count	1
51021	Hydrogen_Bond_Acceptor_Count	5
1102	Structure_Complexity	56.8
6131	Hydrogen_Bond_Donor_Count	5
58411	Total_Formal_Charge	0
130152397	Hydrogen_Bond_Acceptor_Count	2
54110642	TPSA	57.5
3032338	TPSA	70.1
10969	Hydrogen_Bond_Acceptor_Count	2
533866	Structure_Complexity	37.1
80510	TPSA	32.7
443310	Undefined_Atom_Stereo_Count	7
57401368	Mono_Isotopic_Weight	432.21951207
5488548	Hydrogen_Bond_Acceptor_Count	5
79535	Isotope_Atom_Count	0
55424	Undefined_Atom_Stereo_Count	0
16760374	Exact_Mass	636.12921216
86287525	Undefined_Bond_Stereo_Count	0
72618469	Mono_Isotopic_Weight	113.084063974
14416506	Total_Formal_Charge	0
101815861	Defined_Atom_Stereo_Count	0
3456	Structure_Complexity	440
11184839	Defined_Atom_Stereo_Count	0
54681623	Defined_Atom_Stereo_Count	0
44259	Hydrogen_Bond_Donor_Count	2
868031	Covalent_Unit_Count	1
73330464	Non-hydrogen_Atom_Count	18
7403	Undefined_Atom_Stereo_Count	0
11386	Isotope_Atom_Count	0
3856780	Hydrogen_Bond_Acceptor_Count	6
14020415	Isotope_Atom_Count	0
12743036	XLogP3-AA	0.6
362828	Defined_Atom_Stereo_Count	0
102161032	Defined_Bond_Stereo_Count	0
98324	Non-hydrogen_Atom_Count	12
75081	Defined_Bond_Stereo_Count	0
214321	Non-hydrogen_Atom_Count	14
129146	Hydrogen_Bond_Donor_Count	2
54315893	Structure_Complexity	74.5
197856	Molecular_Weight	532.5
443967	Molecular_Weight	434.5
656575	Covalent_Unit_Count	1
118855860	Undefined_Bond_Stereo_Count	0
29089	Hydrogen_Bond_Donor_Count	18
292103	Undefined_Bond_Stereo_Count	0
11017	Hydrogen_Bond_Acceptor_Count	7
11840951	Undefined_Atom_Stereo_Count	0
11815299	Structure_Complexity	32.9
24312	Mono_Isotopic_Weight	143.073499291
15535273	Exact_Mass	96.057514874
136511	Undefined_Bond_Stereo_Count	0
77997	Exact_Mass	391.20082506
11064594	XLogP3-AA	0.8
220936	TPSA	54.4
9969613	Rotatable_Bond_Count	5
5355858	TPSA	26.3
54376298	Mono_Isotopic_Weight	100.063662883
88459354	Exact_Mass	419.34787550
9798437	Undefined_Atom_Stereo_Count	0
30819	Defined_Bond_Stereo_Count	0
56835784	Isotope_Atom_Count	0
163156	Total_Formal_Charge	0
23574312	Isotope_Atom_Count	0
74441087	Undefined_Atom_Stereo_Count	1
91511	TPSA	43.5
5460819	Undefined_Bond_Stereo_Count	0
11610526	XLogP3-AA	2.8
5280933	Mono_Isotopic_Weight	278.224580195
1069189	Non-hydrogen_Atom_Count	21
70048	Defined_Atom_Stereo_Count	0
91895876	Undefined_Bond_Stereo_Count	0
30429	Isotope_Atom_Count	0
439378	Molecular_Weight	174.20
10024	Mono_Isotopic_Weight	104.083729621
91604	Undefined_Atom_Stereo_Count	1
6461	Defined_Bond_Stereo_Count	0
18673160	Undefined_Bond_Stereo_Count	0
88308	Tautomer_Count	1
9812759	Tautomer_Count	1
51759	Hydrogen_Bond_Acceptor_Count	8
24848360	XLogP3	5.2
4070	Exact_Mass	119.05171847
5107724	Isotope_Atom_Count	0
100016	Exact_Mass	228.07462149
18730066	XLogP3-AA	2.7
444742	Rotatable_Bond_Count	25
123178351	Rotatable_Bond_Count	3
3593	Rotatable_Bond_Count	2
14840499	Hydrogen_Bond_Donor_Count	0
71719561	Undefined_Atom_Stereo_Count	0
9892864	Molecular_Weight	519.6
94377	Hydrogen_Bond_Donor_Count	0
87979966	Hydrogen_Bond_Acceptor_Count	3
24978536	Defined_Atom_Stereo_Count	0
9903410	Hydrogen_Bond_Acceptor_Count	4
37137	Molecular_Weight	347.60
9895194	Molecular_Weight	613.8
431	Hydrogen_Bond_Donor_Count	0
20639618	Exact_Mass	20.047748626
6291	XLogP3	4
8723	Covalent_Unit_Count	1
40781	Non-hydrogen_Atom_Count	18
91472	Hydrogen_Bond_Acceptor_Count	1
442504	XLogP3-AA	1.6
11955716	Undefined_Bond_Stereo_Count	0
6921705	Undefined_Atom_Stereo_Count	0
87212	Defined_Atom_Stereo_Count	0
70732	Covalent_Unit_Count	1
565600	Hydrogen_Bond_Acceptor_Count	2
25127299	Hydrogen_Bond_Donor_Count	1
90125683	XLogP3-AA	2.4
70981	Isotope_Atom_Count	0
87248	TPSA	52.6
35801	Total_Formal_Charge	0
3678	Hydrogen_Bond_Acceptor_Count	1
92535137	Hydrogen_Bond_Acceptor_Count	0
68958	Hydrogen_Bond_Donor_Count	1
64962	Mono_Isotopic_Weight	121.03884512
22004078	Structure_Complexity	92.3
11630056	Defined_Bond_Stereo_Count	0
3946663	Non-hydrogen_Atom_Count	29
12895043	Undefined_Bond_Stereo_Count	0
57780676	Molecular_Weight	102.14
68790	Defined_Bond_Stereo_Count	0
53172	Undefined_Bond_Stereo_Count	0
121957	Total_Formal_Charge	0
165701938	Exact_Mass	284.16237386
5282165	Exact_Mass	827.46672049
10479060	Rotatable_Bond_Count	7
57505393	Defined_Atom_Stereo_Count	0
56327	Mono_Isotopic_Weight	219.125928785
812477	Hydrogen_Bond_Donor_Count	0
15739357	Structure_Complexity	206
59325	Non-hydrogen_Atom_Count	27
7946	Rotatable_Bond_Count	4
23724819	Tautomer_Count	3
135487863	Exact_Mass	204.15862589
472202	TPSA	112
62656	Undefined_Bond_Stereo_Count	0
8196	Defined_Bond_Stereo_Count	0
10788	Undefined_Bond_Stereo_Count	0
44431171	Total_Formal_Charge	0
68056645	XLogP3-AA	1.3
16211032	Exact_Mass	342.11621151
3544	Mono_Isotopic_Weight	251.07284784
122767	Mono_Isotopic_Weight	287.07834094
135413544	XLogP3-AA	0.4
425400	Mono_Isotopic_Weight	530.39712482
38040	Undefined_Atom_Stereo_Count	0
135415564	XLogP3-AA	5.6
519161	XLogP3-AA	2.7
6918284	Non-hydrogen_Atom_Count	77
9926586	Rotatable_Bond_Count	2
13291788	Non-hydrogen_Atom_Count	7
208046	Covalent_Unit_Count	2
16049160	Rotatable_Bond_Count	15
22341299	Hydrogen_Bond_Donor_Count	2
476770	TPSA	143
8298	Exact_Mass	142.135765193
20251205	Exact_Mass	112.063662883
92824	Molecular_Weight	134.09
57416910	Hydrogen_Bond_Acceptor_Count	3
139902903	Undefined_Bond_Stereo_Count	0
12820526	Structure_Complexity	80.2
185505	TPSA	49.3
19016756	Hydrogen_Bond_Donor_Count	3
88114173	XLogP3-AA	0.9
69293	Defined_Bond_Stereo_Count	0
1481	Hydrogen_Bond_Donor_Count	0
12815387	TPSA	20.3
11614	Structure_Complexity	43.3
395999	Defined_Bond_Stereo_Count	0
68751	Hydrogen_Bond_Acceptor_Count	8
5814	Isotope_Atom_Count	0
7158	Undefined_Bond_Stereo_Count	0
9831783	Covalent_Unit_Count	3
594	Hydrogen_Bond_Acceptor_Count	4
17995824	Undefined_Atom_Stereo_Count	0
117947097	Exact_Mass	383.04391352
10931233	Defined_Bond_Stereo_Count	3
71309397	Tautomer_Count	1
69319	Defined_Atom_Stereo_Count	0
287180	Rotatable_Bond_Count	3
5371531	Tautomer_Count	5
5283137	Isotope_Atom_Count	0
23520950	Total_Formal_Charge	0
84361	Defined_Atom_Stereo_Count	0
48671	TPSA	39.2
3869	Defined_Atom_Stereo_Count	0
3083540	Hydrogen_Bond_Acceptor_Count	3
7045767	Defined_Bond_Stereo_Count	0
20739	XLogP3	2.6
20429663	Isotope_Atom_Count	0
86412	Rotatable_Bond_Count	2
187079	Non-hydrogen_Atom_Count	30
6042	Defined_Bond_Stereo_Count	0
111036	Tautomer_Count	1
23661867	Exact_Mass	230.00135954
152821976	Defined_Bond_Stereo_Count	0
18432423	Isotope_Atom_Count	0
10572530	Total_Formal_Charge	0
323	Molecular_Weight	146.14
4205037	Non-hydrogen_Atom_Count	19
12253800	Molecular_Weight	116.16
91364344	Mono_Isotopic_Weight	114.104465066
24874	Hydrogen_Bond_Acceptor_Count	1
58143028	XLogP3-AA	1.2
141112	Defined_Bond_Stereo_Count	0
69333672	Undefined_Atom_Stereo_Count	0
11505008	Non-hydrogen_Atom_Count	40
33344	Total_Formal_Charge	0
158800	Undefined_Atom_Stereo_Count	0
10877083	Exact_Mass	113.084063974
9906	Non-hydrogen_Atom_Count	15
6956382	Mono_Isotopic_Weight	377.15013216
565005	Structure_Complexity	123
15209693	TPSA	25.8
222572	TPSA	23.6
89707354	Isotope_Atom_Count	0
21786118	Hydrogen_Bond_Acceptor_Count	4
21325324	Structure_Complexity	94.5
87279974	Rotatable_Bond_Count	1
43216	Total_Formal_Charge	0
68068812	Total_Formal_Charge	0
2747993	Undefined_Atom_Stereo_Count	1
133679779	Total_Formal_Charge	0
52946076	Total_Formal_Charge	0
81426	Rotatable_Bond_Count	6
77991	Structure_Complexity	269
77262	Rotatable_Bond_Count	3
19014	XLogP3-AA	3.7
25138049	Structure_Complexity	599
119195	Structure_Complexity	258
16296	Mono_Isotopic_Weight	192.115029749
16002	Defined_Bond_Stereo_Count	0
5373493	Covalent_Unit_Count	1
968645	Undefined_Atom_Stereo_Count	0
49869035	TPSA	60
64049	Undefined_Atom_Stereo_Count	0
65780	Defined_Atom_Stereo_Count	0
62556	Defined_Bond_Stereo_Count	0
19352565	Defined_Bond_Stereo_Count	0
164333	TPSA	38.7
115011049	Defined_Bond_Stereo_Count	0
23165199	Defined_Bond_Stereo_Count	0
126961335	Hydrogen_Bond_Donor_Count	1
60196271	Rotatable_Bond_Count	18
21943991	Undefined_Atom_Stereo_Count	1
542354	Exact_Mass	114.068079557
45791267	Exact_Mass	134.059246208
71195	Total_Formal_Charge	0
11158091	Defined_Atom_Stereo_Count	8
6349	Covalent_Unit_Count	3
26979	Mono_Isotopic_Weight	85.97330797
1548	Molecular_Weight	537.59
92041	Defined_Bond_Stereo_Count	0
43079	TPSA	20.3
24207	Isotope_Atom_Count	0
444972	Mono_Isotopic_Weight	116.01095860
10087567	Total_Formal_Charge	0
12351158	Non-hydrogen_Atom_Count	7
526739	Exact_Mass	244.20384475
65772	TPSA	80.2
72199381	Structure_Complexity	558
4865	Molecular_Weight	414.4
13620760	Structure_Complexity	108
61574	Rotatable_Bond_Count	16
65775	Molecular_Weight	279.4
82337	Rotatable_Bond_Count	2
12579408	Undefined_Atom_Stereo_Count	2
3062	Structure_Complexity	1450
163304	Non-hydrogen_Atom_Count	17
5282947	Undefined_Bond_Stereo_Count	0
69610	Molecular_Weight	100.004
9528	Molecular_Weight	182.06
6419898	Hydrogen_Bond_Donor_Count	4
656609	Undefined_Atom_Stereo_Count	0
88598101	Covalent_Unit_Count	1
3587356	Molecular_Weight	101.12
129840260	Mono_Isotopic_Weight	292.05964013
44531649	Isotope_Atom_Count	0
154416437	Undefined_Atom_Stereo_Count	2
6992027	Isotope_Atom_Count	0
9842567	Total_Formal_Charge	0
6484	Hydrogen_Bond_Acceptor_Count	0
20033044	Defined_Atom_Stereo_Count	0
22027387	Undefined_Atom_Stereo_Count	0
6456015	Hydrogen_Bond_Donor_Count	6
1317	Mono_Isotopic_Weight	172.193948774
5486828	Hydrogen_Bond_Acceptor_Count	17
137268	Structure_Complexity	109
44462985	Covalent_Unit_Count	1
89356917	Molecular_Weight	905.0
6067	TPSA	74.8
49766037	XLogP3-AA	1
14711688	Structure_Complexity	76.6
68861	Mono_Isotopic_Weight	311.188529040
15752274	Defined_Bond_Stereo_Count	0
14520	Total_Formal_Charge	0
15914	Undefined_Atom_Stereo_Count	0
30020	Total_Formal_Charge	0
13236258	XLogP3-AA	0.3
60196274	Defined_Atom_Stereo_Count	3
4913243	Covalent_Unit_Count	1
6739	Non-hydrogen_Atom_Count	11
53245238	Undefined_Atom_Stereo_Count	1
136870	Exact_Mass	96.093900383
23989	Exact_Mass	238.05079
6456015	Exact_Mass	532.23332757
124069	Total_Formal_Charge	0
9818	Hydrogen_Bond_Acceptor_Count	6
18924037	Undefined_Bond_Stereo_Count	0
11815316	Exact_Mass	112.063662883
131698851	Non-hydrogen_Atom_Count	51
18183696	Undefined_Bond_Stereo_Count	0
5284515	Rotatable_Bond_Count	6
4667	Undefined_Bond_Stereo_Count	1
2724025	Covalent_Unit_Count	1
85916	Mono_Isotopic_Weight	100.063662883
25058199	Hydrogen_Bond_Donor_Count	3
123799979	XLogP3-AA	1.7
60602	Structure_Complexity	1100
40000	Rotatable_Bond_Count	4
123322483	Non-hydrogen_Atom_Count	7
116348512	Exact_Mass	115.063328530
123816513	Defined_Bond_Stereo_Count	0
6951315	Hydrogen_Bond_Donor_Count	0
140557163	Mono_Isotopic_Weight	94.078250319
6443013	Defined_Bond_Stereo_Count	2
11358	Mono_Isotopic_Weight	185.96803
6492	Exact_Mass	132.093900383
6302	Undefined_Atom_Stereo_Count	1
129695690	Total_Formal_Charge	0
3001386	TPSA	74.6
74362	XLogP3-AA	0.7
16642494	Defined_Atom_Stereo_Count	0
86088606	Non-hydrogen_Atom_Count	8
5327686	Hydrogen_Bond_Donor_Count	1
348256	Hydrogen_Bond_Donor_Count	0
56629862	Mono_Isotopic_Weight	101.084063974
115141	Rotatable_Bond_Count	0
7924	Isotope_Atom_Count	0
11007862	Defined_Bond_Stereo_Count	0
11750	TPSA	45.8
66	Undefined_Atom_Stereo_Count	0
56661918	TPSA	113
13032	Total_Formal_Charge	0
15079262	Hydrogen_Bond_Acceptor_Count	3
67906	Rotatable_Bond_Count	0
398687	Undefined_Bond_Stereo_Count	0
5355457	Undefined_Bond_Stereo_Count	0
22218878	Exact_Mass	83.037113783
90766	Structure_Complexity	130
83822	Covalent_Unit_Count	1
500460	Molecular_Weight	208.25
17231	TPSA	46.5
21929	Total_Formal_Charge	0
3084092	Non-hydrogen_Atom_Count	45
636750	Hydrogen_Bond_Acceptor_Count	3
53869568	Hydrogen_Bond_Donor_Count	0
123664	Total_Formal_Charge	0
49855492	Non-hydrogen_Atom_Count	27
70498808	Defined_Bond_Stereo_Count	0
10103877	Exact_Mass	185.07014524
71360	Defined_Bond_Stereo_Count	0
6557	Total_Formal_Charge	0
4398339	TPSA	40.1
7301	Isotope_Atom_Count	0
28864	Tautomer_Count	4
4271	TPSA	94.5
154511	Non-hydrogen_Atom_Count	17
20526784	Molecular_Weight	111.10
522609	Exact_Mass	577.32641949
68643	Defined_Bond_Stereo_Count	0
83969	Defined_Bond_Stereo_Count	0
154342062	Covalent_Unit_Count	1
65595	Undefined_Bond_Stereo_Count	0
99915	Defined_Bond_Stereo_Count	0
153448834	Covalent_Unit_Count	1
53627718	Exact_Mass	109.089149355
135532293	TPSA	106
22594387	Mono_Isotopic_Weight	96.057514874
21972128	Undefined_Bond_Stereo_Count	0
103535	Rotatable_Bond_Count	15
15528723	Total_Formal_Charge	0
58181522	TPSA	49.3
16049448	Covalent_Unit_Count	1
7140	Hydrogen_Bond_Donor_Count	1
73303	Tautomer_Count	2
61253	Total_Formal_Charge	0
6951525	Undefined_Atom_Stereo_Count	0
26007	Defined_Atom_Stereo_Count	0
123892631	TPSA	37.3
5460284	Covalent_Unit_Count	1
162246	XLogP3-AA	4.7
32518	Molecular_Weight	297.5
18343	Mono_Isotopic_Weight	246.06519962
107947	Total_Formal_Charge	0
4797	Undefined_Bond_Stereo_Count	0
67380	Molecular_Weight	287.4
130349042	TPSA	27.8
71457293	Covalent_Unit_Count	1
91753565	Hydrogen_Bond_Acceptor_Count	0
276224	Structure_Complexity	77.7
63397	Tautomer_Count	1
88008	Hydrogen_Bond_Acceptor_Count	8
8881	Hydrogen_Bond_Acceptor_Count	0
13704283	Undefined_Bond_Stereo_Count	0
87595695	Exact_Mass	100.100048391
6857732	XLogP3-AA	2.7
66711	Exact_Mass	238.134422523
8717	TPSA	26
3553	Mono_Isotopic_Weight	454.1922300
3082754	Defined_Atom_Stereo_Count	1
41938	Defined_Bond_Stereo_Count	0
19235	TPSA	271
57396149	Hydrogen_Bond_Donor_Count	2
88191	Hydrogen_Bond_Acceptor_Count	3
24181110	Tautomer_Count	2
6605	Exact_Mass	454.1313794
11993	Total_Formal_Charge	0
65456803	Molecular_Weight	100.16
10401972	Undefined_Atom_Stereo_Count	0
11590255	Total_Formal_Charge	0
23235	XLogP3	4.9
541506	Covalent_Unit_Count	1
16682983	TPSA	52.3
124087	Structure_Complexity	425
14869	XLogP3	3.9
136219154	Molecular_Weight	380.9
104973	Mono_Isotopic_Weight	334.051880
16129706	Mono_Isotopic_Weight	1636.71665551
14809442	Isotope_Atom_Count	0
132519	Hydrogen_Bond_Donor_Count	5
23691042	Tautomer_Count	1
9865929	Defined_Bond_Stereo_Count	0
544356	Hydrogen_Bond_Donor_Count	0
10206844	Covalent_Unit_Count	1
159952	Defined_Bond_Stereo_Count	0
71672	Covalent_Unit_Count	2
25142176	Undefined_Bond_Stereo_Count	0
67615000	Undefined_Atom_Stereo_Count	1
12250845	Defined_Atom_Stereo_Count	0
5001396	Structure_Complexity	502
11095	Tautomer_Count	210
90730816	Covalent_Unit_Count	1
9103	Defined_Atom_Stereo_Count	0
83432	Hydrogen_Bond_Donor_Count	0
54077874	Hydrogen_Bond_Donor_Count	0
23533634	Rotatable_Bond_Count	1
9816506	Covalent_Unit_Count	1
44909	Mono_Isotopic_Weight	253.06774
121329665	Mono_Isotopic_Weight	342.11621151
53825954	Undefined_Atom_Stereo_Count	0
134692352	Exact_Mass	453.22637110
408511	Hydrogen_Bond_Acceptor_Count	4
5971	Exact_Mass	99.01427034
22524140	XLogP3-AA	4
12313170	Isotope_Atom_Count	0
38945	Isotope_Atom_Count	0
16454	Exact_Mass	101.047678466
134715513	Hydrogen_Bond_Donor_Count	7
13898	TPSA	36.3
26035	Molecular_Weight	326.5
135471161	Defined_Bond_Stereo_Count	0
22224160	XLogP3-AA	2.4
2734223	Isotope_Atom_Count	0
88239	Hydrogen_Bond_Acceptor_Count	2
22918788	Non-hydrogen_Atom_Count	6
145822437	Undefined_Atom_Stereo_Count	0
63116	Non-hydrogen_Atom_Count	21
441243	Undefined_Bond_Stereo_Count	0
23985	TPSA	0
537025	Covalent_Unit_Count	1
51029965	Hydrogen_Bond_Donor_Count	0
250096	Exact_Mass	190.099379685
3032285	Defined_Atom_Stereo_Count	0
90707288	TPSA	26
65399	Defined_Atom_Stereo_Count	4
4306515	XLogP3-AA	5.1
6440792	Undefined_Atom_Stereo_Count	0
198212	Molecular_Weight	179.17
7649	Hydrogen_Bond_Donor_Count	0
20266	Undefined_Bond_Stereo_Count	0
75800	Hydrogen_Bond_Acceptor_Count	3
364704	Total_Formal_Charge	0
8567	Structure_Complexity	134
706485	Defined_Bond_Stereo_Count	0
447277	XLogP3-AA	4.4
154474735	Hydrogen_Bond_Donor_Count	0
24814	Total_Formal_Charge	0
20666911	Defined_Bond_Stereo_Count	0
136102	Undefined_Atom_Stereo_Count	0
89138978	Defined_Bond_Stereo_Count	0
66742	Mono_Isotopic_Weight	318.08920892
638552	Molecular_Weight	319.9
85627952	Hydrogen_Bond_Acceptor_Count	3
14534553	Structure_Complexity	649
53477948	Defined_Atom_Stereo_Count	1
14663555	Mono_Isotopic_Weight	108.032362755
163596302	Undefined_Atom_Stereo_Count	1
11424151	Hydrogen_Bond_Acceptor_Count	2
13399110	Undefined_Atom_Stereo_Count	0
66882078	Hydrogen_Bond_Donor_Count	1
44521019	Rotatable_Bond_Count	6
45110509	Undefined_Bond_Stereo_Count	0
161764	Total_Formal_Charge	0
36572	Structure_Complexity	505
32068	Undefined_Bond_Stereo_Count	0
41872	Rotatable_Bond_Count	2
97886	Defined_Bond_Stereo_Count	0
3158	Rotatable_Bond_Count	3
3958	Total_Formal_Charge	0
70452	Total_Formal_Charge	0
265776	TPSA	37.8
68704	Non-hydrogen_Atom_Count	16
232789	Exact_Mass	195.936181
54180637	Isotope_Atom_Count	0
16431	Defined_Bond_Stereo_Count	0
80566	Exact_Mass	184.9799046
1810	TPSA	108
10486809	Tautomer_Count	1
10291931	Hydrogen_Bond_Acceptor_Count	7
141758017	Undefined_Atom_Stereo_Count	0
51576	Structure_Complexity	352
11725766	Undefined_Bond_Stereo_Count	0
535857	Hydrogen_Bond_Acceptor_Count	3
60464	Covalent_Unit_Count	1
5462928	TPSA	0
5371246	Total_Formal_Charge	0
5281411	Rotatable_Bond_Count	2
102362828	Total_Formal_Charge	0
60069425	Molecular_Weight	108.10
4514	Exact_Mass	412.1302182
153085381	TPSA	9.2
403802	XLogP3-AA	3.9
23724817	Mono_Isotopic_Weight	392.1997337
6443047	Isotope_Atom_Count	0
53484290	Exact_Mass	114.068079557
85784776	Molecular_Weight	182.14
30513	Defined_Bond_Stereo_Count	0
3957	Defined_Atom_Stereo_Count	0
18509075	Undefined_Bond_Stereo_Count	0
16299	Rotatable_Bond_Count	6
4744	TPSA	35
1054	Molecular_Weight	169.18
5484366	TPSA	52.9
138203	TPSA	30.7
5311017	Rotatable_Bond_Count	5
21991095	Covalent_Unit_Count	1
5282437	Tautomer_Count	24
71490	Isotope_Atom_Count	0
8674	Undefined_Atom_Stereo_Count	0
78514	Undefined_Bond_Stereo_Count	0
54511	Tautomer_Count	2
311434	Mono_Isotopic_Weight	311.0672836
111089	Hydrogen_Bond_Acceptor_Count	1
101033892	Isotope_Atom_Count	1
79003661	Hydrogen_Bond_Donor_Count	1
162406	Exact_Mass	120.04225873
6327132	Hydrogen_Bond_Donor_Count	0
3034336	Undefined_Atom_Stereo_Count	0
70698047	TPSA	60.9
20587740	XLogP3-AA	1.6
88793951	Isotope_Atom_Count	0
7367	Structure_Complexity	99.9
9803788	Non-hydrogen_Atom_Count	27
10464455	Defined_Atom_Stereo_Count	0
6919055	Total_Formal_Charge	1
118161592	Undefined_Bond_Stereo_Count	0
60697	Isotope_Atom_Count	0
11442292	Structure_Complexity	758
656404	XLogP3-AA	4.6
5327067	Isotope_Atom_Count	0
99580	Isotope_Atom_Count	0
443753	Hydrogen_Bond_Acceptor_Count	10
7811	Total_Formal_Charge	0
19891145	Non-hydrogen_Atom_Count	8
25210	Undefined_Bond_Stereo_Count	0
15950514	Total_Formal_Charge	0
121587	Hydrogen_Bond_Acceptor_Count	4
23691996	Isotope_Atom_Count	0
41385	Isotope_Atom_Count	0
152413	Tautomer_Count	27
11517780	Hydrogen_Bond_Acceptor_Count	7
140015	Total_Formal_Charge	0
70686982	Mono_Isotopic_Weight	513.1680007
75195	Structure_Complexity	721
5277135	Tautomer_Count	1
23675322	Defined_Bond_Stereo_Count	0
8022	Defined_Atom_Stereo_Count	0
12679	Non-hydrogen_Atom_Count	11
135565635	Hydrogen_Bond_Acceptor_Count	5
26421	TPSA	20.3
10026007	Non-hydrogen_Atom_Count	28
74777	Total_Formal_Charge	0
9795434	XLogP3-AA	2.2
10931378	Undefined_Atom_Stereo_Count	1
12718062	Non-hydrogen_Atom_Count	6
44563178	Undefined_Bond_Stereo_Count	0
20624744	Non-hydrogen_Atom_Count	7
41545	Isotope_Atom_Count	0
13158	Structure_Complexity	118
54899	Defined_Bond_Stereo_Count	0
78638	Molecular_Weight	168.21
151175776	Structure_Complexity	113
143289	Defined_Bond_Stereo_Count	0
829002	TPSA	35.6
129539	Exact_Mass	354.0537978
67486	Mono_Isotopic_Weight	168.068748264
71509158	Molecular_Weight	717.6
55011	Hydrogen_Bond_Acceptor_Count	3
147226284	Mono_Isotopic_Weight	112.088815002
44310303	Covalent_Unit_Count	1
21666609	XLogP3-AA	0.3
7065	XLogP3-AA	5.7
12544003	Covalent_Unit_Count	1
16217359	Isotope_Atom_Count	4
272079	Defined_Atom_Stereo_Count	0
44571868	Mono_Isotopic_Weight	403.18959167
15752	Isotope_Atom_Count	0
23675349	Mono_Isotopic_Weight	264.09084324
14741640	Undefined_Bond_Stereo_Count	0
94671	Rotatable_Bond_Count	1
126455659	Hydrogen_Bond_Donor_Count	1
6432394	TPSA	53.3
16211884	Mono_Isotopic_Weight	182.06663009
23164725	Molecular_Weight	113.11
76958	Mono_Isotopic_Weight	354.31339520
65977	Isotope_Atom_Count	0
87900	Defined_Bond_Stereo_Count	0
157706	Structure_Complexity	137
581	Structure_Complexity	148
147890373	Total_Formal_Charge	0
59646259	Structure_Complexity	382
440699	Tautomer_Count	9
57390700	Total_Formal_Charge	0
101316975	Defined_Bond_Stereo_Count	0
67210	TPSA	126
449424	Rotatable_Bond_Count	7
65974	Undefined_Bond_Stereo_Count	0
9940690	Mono_Isotopic_Weight	814.32592949
5312137	Total_Formal_Charge	0
996610	XLogP3-AA	3.4
13849	Defined_Bond_Stereo_Count	0
154825229	Molecular_Weight	218.33
403647	Structure_Complexity	328
22672901	Exact_Mass	113.084063974
11768576	Covalent_Unit_Count	1
25200298	Structure_Complexity	1830
70689338	Undefined_Bond_Stereo_Count	0
65084	Hydrogen_Bond_Donor_Count	6
267	Structure_Complexity	2440
93036	Hydrogen_Bond_Donor_Count	4
12609619	Covalent_Unit_Count	1
48654	Isotope_Atom_Count	0
68901	TPSA	121
67247849	Molecular_Weight	372.4
19816653	Non-hydrogen_Atom_Count	16
16078946	Mono_Isotopic_Weight	429.1506995
4633677	Hydrogen_Bond_Acceptor_Count	5
25102	Covalent_Unit_Count	1
3033767	Total_Formal_Charge	0
97660	Total_Formal_Charge	0
25171876	Undefined_Atom_Stereo_Count	0
1550846	Rotatable_Bond_Count	1
6975	Covalent_Unit_Count	1
11126249	XLogP3-AA	2.3
433956	Rotatable_Bond_Count	3
9141	Defined_Bond_Stereo_Count	0
2707	Isotope_Atom_Count	0
97523	Hydrogen_Bond_Donor_Count	3
12502857	TPSA	23.8
64964	Total_Formal_Charge	0
4253	Mono_Isotopic_Weight	285.13649347
10818	Rotatable_Bond_Count	1
56945145	Undefined_Bond_Stereo_Count	0
3206	Undefined_Bond_Stereo_Count	0
104143	Undefined_Bond_Stereo_Count	0
57264	Hydrogen_Bond_Acceptor_Count	3
54682458	Undefined_Bond_Stereo_Count	0
114840	Structure_Complexity	317
14871	Structure_Complexity	206
9723	Defined_Bond_Stereo_Count	0
74440	Defined_Bond_Stereo_Count	0
2733797	Mono_Isotopic_Weight	300.10314491
57461899	Undefined_Bond_Stereo_Count	0
54565105	Covalent_Unit_Count	1
4585667	Exact_Mass	157.07389321
25137901	Undefined_Bond_Stereo_Count	0
56955185	Defined_Atom_Stereo_Count	0
59091406	Undefined_Bond_Stereo_Count	0
95083	Defined_Atom_Stereo_Count	0
137554722	Defined_Bond_Stereo_Count	0
5319880	Hydrogen_Bond_Donor_Count	3
522596	Undefined_Atom_Stereo_Count	0
21331	Isotope_Atom_Count	0
6436138	Mono_Isotopic_Weight	424.0938327
130032075	XLogP3-AA	0.8
21798491	Hydrogen_Bond_Donor_Count	2
122640	TPSA	34.1
704232	Mono_Isotopic_Weight	312.14739250
15008962	Molecular_Weight	405.4
9325	Undefined_Atom_Stereo_Count	3
50980	Covalent_Unit_Count	1
118669896	XLogP3-AA	1.2
17956339	Defined_Atom_Stereo_Count	0
10130524	Undefined_Bond_Stereo_Count	0
475	Defined_Bond_Stereo_Count	0
222714	Undefined_Bond_Stereo_Count	0
97783	XLogP3-AA	4.2
53736	Covalent_Unit_Count	1
15757501	Undefined_Bond_Stereo_Count	0
6857686	TPSA	37.3
87184	Isotope_Atom_Count	0
4914451	Non-hydrogen_Atom_Count	7
12927947	Non-hydrogen_Atom_Count	8
13113	Defined_Bond_Stereo_Count	0
22873	Rotatable_Bond_Count	10
30751	Undefined_Bond_Stereo_Count	0
8351	Defined_Bond_Stereo_Count	0
20739	Molecular_Weight	142.24
11723971	Rotatable_Bond_Count	4
444013	Molecular_Weight	661.8
68284	Exact_Mass	163.00918496
18726556	Exact_Mass	116.047344113
103032	Undefined_Atom_Stereo_Count	1
2347	Defined_Bond_Stereo_Count	0
1982	Structure_Complexity	172
54300272	Mono_Isotopic_Weight	101.084063974
2184	Mono_Isotopic_Weight	349.298079487
8126	Hydrogen_Bond_Donor_Count	0
57586998	TPSA	48.9
14296346	Defined_Atom_Stereo_Count	0
637921	Defined_Bond_Stereo_Count	1
96424	Mono_Isotopic_Weight	353.01401281
68081017	Mono_Isotopic_Weight	112.088815002
10275	Total_Formal_Charge	0
35676	Hydrogen_Bond_Donor_Count	2
51762	Defined_Atom_Stereo_Count	0
129845	XLogP3-AA	4.2
91701	Defined_Atom_Stereo_Count	0
5284613	Tautomer_Count	1
12647544	Covalent_Unit_Count	1
48959	Undefined_Bond_Stereo_Count	0
54761305	XLogP3-AA	2.6
12148	Exact_Mass	150.079312947
11224409	Total_Formal_Charge	0
693167	Mono_Isotopic_Weight	338.97563
13246222	Tautomer_Count	1
18566	Undefined_Bond_Stereo_Count	0
123977	Rotatable_Bond_Count	18
141836779	Mono_Isotopic_Weight	112.088815002
10668	TPSA	59.7
136316	Non-hydrogen_Atom_Count	8
27744	Defined_Bond_Stereo_Count	0
24875318	Rotatable_Bond_Count	6
57322830	Undefined_Bond_Stereo_Count	0
100165	Rotatable_Bond_Count	0
11266523	Hydrogen_Bond_Donor_Count	1
701741	XLogP3-AA	1.8
68936	Covalent_Unit_Count	1
14022511	Undefined_Bond_Stereo_Count	0
84179	Undefined_Bond_Stereo_Count	0
116225458	Defined_Atom_Stereo_Count	0
67502	Structure_Complexity	95.2
6527064	Covalent_Unit_Count	3
84954	Structure_Complexity	440
44427236	Non-hydrogen_Atom_Count	29
873450	Hydrogen_Bond_Acceptor_Count	4
135425186	Rotatable_Bond_Count	2
15951489	Defined_Atom_Stereo_Count	0
1505	Defined_Atom_Stereo_Count	0
6443013	Rotatable_Bond_Count	14
91410	Defined_Bond_Stereo_Count	0
13794998	Rotatable_Bond_Count	1
135433604	TPSA	106
13765	Undefined_Atom_Stereo_Count	0
91735	TPSA	51.2
5311093	Mono_Isotopic_Weight	417.32429423
446873	Hydrogen_Bond_Donor_Count	4
71355988	Defined_Bond_Stereo_Count	0
6947362	Covalent_Unit_Count	1
20561708	Non-hydrogen_Atom_Count	7
12744661	Non-hydrogen_Atom_Count	6
54700	Tautomer_Count	1
4911	Molecular_Weight	285.36
82267	Non-hydrogen_Atom_Count	5
11661757	Structure_Complexity	529
71449585	Defined_Bond_Stereo_Count	0
4279	Undefined_Bond_Stereo_Count	0
688015	Non-hydrogen_Atom_Count	17
77287	Tautomer_Count	1
107243	Non-hydrogen_Atom_Count	8
3589	XLogP3-AA	4.3
6995749	Defined_Atom_Stereo_Count	0
11539562	Rotatable_Bond_Count	4
89716251	Exact_Mass	113.084063974
546078	XLogP3-AA	0.3
18062	Hydrogen_Bond_Donor_Count	2
8644	Exact_Mass	405.19163936
71453505	Defined_Bond_Stereo_Count	0
21932259	Undefined_Atom_Stereo_Count	0
116821924	Molecular_Weight	99.17
99858	Tautomer_Count	24
483998	Undefined_Atom_Stereo_Count	1
3036746	Molecular_Weight	324.4
65340	Exact_Mass	189.0556563
3058754	XLogP3-AA	2.8
139	Covalent_Unit_Count	1
2762921	Mono_Isotopic_Weight	111.048427358
65429	Rotatable_Bond_Count	6
66587032	Non-hydrogen_Atom_Count	29
3041256	Hydrogen_Bond_Donor_Count	1
22220113	Hydrogen_Bond_Donor_Count	1
16212118	Tautomer_Count	4
5388992	Isotope_Atom_Count	0
12962868	Undefined_Atom_Stereo_Count	2
72926	Exact_Mass	148.027277375
10523409	Mono_Isotopic_Weight	371.963539
129761	Isotope_Atom_Count	0
117488	Exact_Mass	502.45148287
10734	Isotope_Atom_Count	0
10086446	XLogP3-AA	5
23540330	Hydrogen_Bond_Acceptor_Count	2
20041454	Undefined_Bond_Stereo_Count	0
69158971	Defined_Bond_Stereo_Count	0
36245	Hydrogen_Bond_Acceptor_Count	2
2766305	Total_Formal_Charge	0
667495	XLogP3-AA	2.4
10953456	Undefined_Bond_Stereo_Count	0
150855	Structure_Complexity	660
65575106	Structure_Complexity	50.1
7204	Undefined_Bond_Stereo_Count	0
5426	Total_Formal_Charge	0
71344821	Undefined_Atom_Stereo_Count	1
160	TPSA	98
184830	Hydrogen_Bond_Acceptor_Count	2
83156	XLogP3-AA	0.2
54188406	Defined_Bond_Stereo_Count	0
426	Isotope_Atom_Count	0
42405	Defined_Atom_Stereo_Count	0
23672568	Exact_Mass	484.05995429
9866622	Structure_Complexity	688
123917	Tautomer_Count	343
188141	Tautomer_Count	2
23579326	Structure_Complexity	481
7348	Structure_Complexity	254
118011485	Structure_Complexity	415
94357	Tautomer_Count	1
4674	Undefined_Atom_Stereo_Count	0
22185288	Molecular_Weight	99.13
2758873	Tautomer_Count	1
44720578	Undefined_Bond_Stereo_Count	0
135564787	Undefined_Atom_Stereo_Count	0
14454747	Isotope_Atom_Count	0
10184937	Mono_Isotopic_Weight	491.05903060
13129	Tautomer_Count	1
8548	Exact_Mass	324.183778013
61286	Total_Formal_Charge	0
9547801	Structure_Complexity	369
11093	Defined_Bond_Stereo_Count	0
10002900	Rotatable_Bond_Count	6
20699949	Hydrogen_Bond_Acceptor_Count	2
3852430	Hydrogen_Bond_Acceptor_Count	3
8614	Mono_Isotopic_Weight	304.95489
13001614	Hydrogen_Bond_Acceptor_Count	2
85356809	Hydrogen_Bond_Donor_Count	0
5288365	Structure_Complexity	335
3420996	Exact_Mass	184.182715385
71821	Mono_Isotopic_Weight	256.0767261
638051	Covalent_Unit_Count	1
16732314	Covalent_Unit_Count	1
20074043	Molecular_Weight	100.16
6919144	Hydrogen_Bond_Acceptor_Count	1
53678373	Covalent_Unit_Count	1
91661	Molecular_Weight	338.9
80396	Mono_Isotopic_Weight	244.10679099
174782	Structure_Complexity	841
2433	XLogP3-AA	3.8
78220	Undefined_Bond_Stereo_Count	0
55891	Defined_Atom_Stereo_Count	2
80125	Covalent_Unit_Count	1
8718	Hydrogen_Bond_Acceptor_Count	2
23464986	Hydrogen_Bond_Donor_Count	1
920954	Undefined_Atom_Stereo_Count	0
24777	Total_Formal_Charge	0
137602	Structure_Complexity	107
69571381	Defined_Bond_Stereo_Count	0
6950306	Defined_Atom_Stereo_Count	1
11399764	TPSA	139
153807932	Defined_Bond_Stereo_Count	0
250451	Total_Formal_Charge	0
62425	TPSA	80.3
529389	Defined_Atom_Stereo_Count	0
185914	Isotope_Atom_Count	0
85944	Rotatable_Bond_Count	0
44134949	Defined_Atom_Stereo_Count	0
83465	Hydrogen_Bond_Donor_Count	2
523251	XLogP3-AA	1.4
62334	Molecular_Weight	198.30
38674	Defined_Bond_Stereo_Count	0
2724126	Hydrogen_Bond_Donor_Count	0
5504	Undefined_Atom_Stereo_Count	0
21679645	Non-hydrogen_Atom_Count	8
4613	Exact_Mass	344.258954327
23130216	Defined_Bond_Stereo_Count	0
6613	Rotatable_Bond_Count	6
62731702	Total_Formal_Charge	0
11329359	Isotope_Atom_Count	0
16067950	Undefined_Atom_Stereo_Count	0
42620929	Undefined_Bond_Stereo_Count	0
13546	Exact_Mass	114.068079557
16760155	Rotatable_Bond_Count	4
85238	Rotatable_Bond_Count	5
7987	Hydrogen_Bond_Acceptor_Count	6
676030	Undefined_Atom_Stereo_Count	0
3527278	Defined_Atom_Stereo_Count	0
618	TPSA	168
25200272	Hydrogen_Bond_Donor_Count	6
12740771	Defined_Bond_Stereo_Count	0
15983549	Covalent_Unit_Count	1
638011	Non-hydrogen_Atom_Count	11
15316554	Defined_Atom_Stereo_Count	0
44567097	Undefined_Bond_Stereo_Count	0
7268	Covalent_Unit_Count	1
197	Tautomer_Count	3
14239884	Structure_Complexity	258
196879	Defined_Bond_Stereo_Count	0
665618	Undefined_Bond_Stereo_Count	0
5492298	Defined_Atom_Stereo_Count	0
217842	Mono_Isotopic_Weight	313.99188038
4960	XLogP3-AA	3.5
23405789	XLogP3-AA	1.6
16070039	Rotatable_Bond_Count	4
439791	Undefined_Bond_Stereo_Count	0
39562	TPSA	55.1
1031	Molecular_Weight	60.10
83823	Molecular_Weight	461.5
7760	Mono_Isotopic_Weight	284.19875937
680502	Hydrogen_Bond_Donor_Count	1
5283137	Hydrogen_Bond_Donor_Count	4
121861	Undefined_Atom_Stereo_Count	0
447360	Hydrogen_Bond_Acceptor_Count	6
192965	TPSA	90
111509	Exact_Mass	88.052429494
128918	Undefined_Bond_Stereo_Count	0
91411400	Isotope_Atom_Count	0
101554	Exact_Mass	164.06847348
594510	Isotope_Atom_Count	0
6436259	XLogP3-AA	8
5538	Defined_Bond_Stereo_Count	0
33190	Hydrogen_Bond_Acceptor_Count	12
16306	Undefined_Atom_Stereo_Count	0
7888	Molecular_Weight	172.26
52949760	Exact_Mass	369.18748367
562767	Defined_Bond_Stereo_Count	0
6576	Exact_Mass	111.9482701
8483	Isotope_Atom_Count	0
57465453	Isotope_Atom_Count	0
118855590	Hydrogen_Bond_Acceptor_Count	3
139202065	Exact_Mass	714.14991168
22998467	Undefined_Bond_Stereo_Count	0
131664	Total_Formal_Charge	0
859897	Molecular_Weight	337.5
22321577	Undefined_Atom_Stereo_Count	1
9307	Tautomer_Count	5
2779024	Molecular_Weight	126.03
25080	Undefined_Atom_Stereo_Count	0
58911	Undefined_Bond_Stereo_Count	0
198231	Defined_Bond_Stereo_Count	0
45282362	Covalent_Unit_Count	1
57328385	Isotope_Atom_Count	0
54585737	Defined_Bond_Stereo_Count	0
117265442	Non-hydrogen_Atom_Count	7
152204	Exact_Mass	161.06880783
11937	Structure_Complexity	225
56834574	TPSA	76.2
6918612	Covalent_Unit_Count	1
13182523	Undefined_Atom_Stereo_Count	0
141343693	Undefined_Bond_Stereo_Count	0
644160	Rotatable_Bond_Count	4
35075	Structure_Complexity	187
12398272	Non-hydrogen_Atom_Count	8
9499	XLogP3-AA	2.2
19966769	Total_Formal_Charge	0
645691	XLogP3-AA	1.7
1596	Covalent_Unit_Count	1
21927801	Rotatable_Bond_Count	4
9423	Total_Formal_Charge	0
56430	Isotope_Atom_Count	0
4871804	Exact_Mass	149.05104977
538333	Non-hydrogen_Atom_Count	8
11188898	Mono_Isotopic_Weight	404.17697855
17992	Undefined_Atom_Stereo_Count	0
6058	Exact_Mass	77.02992040
19016	TPSA	32.1
97758	Hydrogen_Bond_Acceptor_Count	1
54378536	Total_Formal_Charge	0
69744	Isotope_Atom_Count	0
36966	Hydrogen_Bond_Acceptor_Count	8
6380	Covalent_Unit_Count	1
178565	Covalent_Unit_Count	1
91849037	TPSA	190
13244490	XLogP3-AA	0.5
21675743	Mono_Isotopic_Weight	100.100048391
13803506	Mono_Isotopic_Weight	108.093900383
3796640	Undefined_Bond_Stereo_Count	0
57403154	Structure_Complexity	416
53818	Exact_Mass	298.15287181
140738	Hydrogen_Bond_Donor_Count	0
10220680	Undefined_Atom_Stereo_Count	0
44629543	Undefined_Bond_Stereo_Count	0
6468	Defined_Bond_Stereo_Count	0
619250	Hydrogen_Bond_Acceptor_Count	6
9800068	Hydrogen_Bond_Acceptor_Count	7
7883	Tautomer_Count	2
39223	Isotope_Atom_Count	0
88789571	Defined_Bond_Stereo_Count	0
5486198	Covalent_Unit_Count	1
119528	Exact_Mass	418.19915329
1479778	Exact_Mass	317.0641130
5215	Exact_Mass	250.05244675
2826	Rotatable_Bond_Count	5
46912230	Total_Formal_Charge	0
3587356	XLogP3	1.8
70040	Molecular_Weight	212.29
126569786	Hydrogen_Bond_Acceptor_Count	12
65238	Defined_Bond_Stereo_Count	0
137017	Total_Formal_Charge	0
69982	Hydrogen_Bond_Acceptor_Count	3
5479052	Rotatable_Bond_Count	9
439791	Hydrogen_Bond_Acceptor_Count	2
33630	Non-hydrogen_Atom_Count	36
38350	Total_Formal_Charge	0
577543	Hydrogen_Bond_Donor_Count	1
65659	Covalent_Unit_Count	1
44629653	Isotope_Atom_Count	0
11619076	TPSA	98.3
26908	Defined_Atom_Stereo_Count	0
561488	Mono_Isotopic_Weight	106.078250319
85535	Mono_Isotopic_Weight	396.396730897
251529	Total_Formal_Charge	0
3766	Defined_Bond_Stereo_Count	0
135981362	XLogP3	0.4
3326	Exact_Mass	377.246712621
96910	XLogP3-AA	2.4
23533634	Mono_Isotopic_Weight	118.062994177
27642	Molecular_Weight	134.13
8428	XLogP3-AA	2.3
94213	Non-hydrogen_Atom_Count	12
123565918	Isotope_Atom_Count	0
163940165	Undefined_Bond_Stereo_Count	0
52083990	Undefined_Atom_Stereo_Count	0
552109	Molecular_Weight	118.17
19935257	Hydrogen_Bond_Donor_Count	2
16211337	TPSA	190
54455096	Hydrogen_Bond_Donor_Count	0
541506	Non-hydrogen_Atom_Count	7
15123308	Hydrogen_Bond_Donor_Count	1
54429687	Hydrogen_Bond_Acceptor_Count	3
133728	Hydrogen_Bond_Acceptor_Count	3
3249	Molecular_Weight	396.6
142952	Defined_Bond_Stereo_Count	0
2309	XLogP3	2
125134	Hydrogen_Bond_Acceptor_Count	4
9601349	Tautomer_Count	1
46861584	Defined_Atom_Stereo_Count	0
59519119	Undefined_Atom_Stereo_Count	1
24014	Undefined_Atom_Stereo_Count	0
55560	XLogP3-AA	6.2
2551	Rotatable_Bond_Count	4
3034319	Non-hydrogen_Atom_Count	13
15983949	Undefined_Atom_Stereo_Count	0
10507011	Undefined_Bond_Stereo_Count	0
70683717	Undefined_Atom_Stereo_Count	0
13245	Non-hydrogen_Atom_Count	13
21252905	Non-hydrogen_Atom_Count	8
42486	TPSA	74.6
11955855	Non-hydrogen_Atom_Count	27
43976	Exact_Mass	328.0648413
58729385	Structure_Complexity	145
9874838	Defined_Atom_Stereo_Count	0
19883347	Exact_Mass	101.084063974
90654313	Undefined_Atom_Stereo_Count	0
131634423	Covalent_Unit_Count	3
16295	Mono_Isotopic_Weight	148.125200510
13232	Defined_Bond_Stereo_Count	0
53773588	Isotope_Atom_Count	0
67825	Defined_Bond_Stereo_Count	0
13238893	Mono_Isotopic_Weight	189.07653381
149798	Hydrogen_Bond_Acceptor_Count	2
155803776	Isotope_Atom_Count	0
56755	Exact_Mass	298.051880
719704	Undefined_Atom_Stereo_Count	0
86102	Molecular_Weight	307.82
535111	TPSA	20.2
15691707	Hydrogen_Bond_Donor_Count	1
91335727	XLogP3-AA	5.2
70440	Mono_Isotopic_Weight	116.143924578
667498	XLogP3	0.7
15950004	Hydrogen_Bond_Donor_Count	1
7432	Isotope_Atom_Count	0
49856296	Defined_Atom_Stereo_Count	0
54575456	XLogP3-AA	1.3
53736293	Isotope_Atom_Count	0
131632500	Rotatable_Bond_Count	4
64356	Mono_Isotopic_Weight	267.0346565
12313849	Mono_Isotopic_Weight	347.07937252
2734118	Mono_Isotopic_Weight	466.535176173
12285861	Molecular_Weight	182.16
10482134	Non-hydrogen_Atom_Count	39
513917	Hydrogen_Bond_Acceptor_Count	8
134688154	Isotope_Atom_Count	0
120508	Hydrogen_Bond_Acceptor_Count	4
98266	XLogP3-AA	2.4
8281	Non-hydrogen_Atom_Count	17
11703161	Covalent_Unit_Count	3
71458236	Hydrogen_Bond_Donor_Count	3
84923	Defined_Atom_Stereo_Count	0
27822	Isotope_Atom_Count	0
12555	Isotope_Atom_Count	0
143342009	Hydrogen_Bond_Donor_Count	1
138122	Undefined_Bond_Stereo_Count	0
31226	Defined_Atom_Stereo_Count	0
16051969	TPSA	526
5315244	Hydrogen_Bond_Acceptor_Count	12
62787	Molecular_Weight	195.26
517165	Covalent_Unit_Count	2
23268532	Defined_Atom_Stereo_Count	0
9387	TPSA	0
11137142	Covalent_Unit_Count	2
36690486	Structure_Complexity	319
67718	Total_Formal_Charge	0
87216	Hydrogen_Bond_Donor_Count	4
5373729	Tautomer_Count	1
13113267	Molecular_Weight	112.17
492767	Total_Formal_Charge	0
165141	Exact_Mass	73.052763847
66260	Hydrogen_Bond_Acceptor_Count	2
61753	Hydrogen_Bond_Donor_Count	0
151237	Hydrogen_Bond_Donor_Count	1
73277	Hydrogen_Bond_Acceptor_Count	2
54580845	XLogP3-AA	2.4
16132338	Defined_Atom_Stereo_Count	15
91419167	Total_Formal_Charge	0
70632	Defined_Atom_Stereo_Count	0
4346	Defined_Bond_Stereo_Count	0
12082259	Covalent_Unit_Count	1
7260	Total_Formal_Charge	0
20157043	Hydrogen_Bond_Acceptor_Count	2
72153	XLogP3-AA	1.4
6538996	Isotope_Atom_Count	0
33713	Total_Formal_Charge	0
135476770	Hydrogen_Bond_Donor_Count	6
101602193	Tautomer_Count	1
6324663	Covalent_Unit_Count	1
54729367	Structure_Complexity	958
57656869	Rotatable_Bond_Count	4
140363414	Exact_Mass	102.079312947
730093	Hydrogen_Bond_Donor_Count	2
44338979	Rotatable_Bond_Count	14
2358	Exact_Mass	211.04807239
11855	Isotope_Atom_Count	0
123809	Defined_Bond_Stereo_Count	0
92943	Covalent_Unit_Count	1
24838350	Structure_Complexity	867
97041723	Mono_Isotopic_Weight	790.22615588
92187	Rotatable_Bond_Count	1
447966	Undefined_Atom_Stereo_Count	0
14187216	Covalent_Unit_Count	1
15140308	Rotatable_Bond_Count	3
9577230	Rotatable_Bond_Count	16
60150204	Defined_Bond_Stereo_Count	0
660	Covalent_Unit_Count	1
721456	Mono_Isotopic_Weight	298.13174244
53462066	Tautomer_Count	2
51931	TPSA	52.3
167724	Hydrogen_Bond_Donor_Count	1
68696	Non-hydrogen_Atom_Count	29
53297414	Undefined_Atom_Stereo_Count	2
92028754	Exact_Mass	69.9665510
9201	Defined_Bond_Stereo_Count	0
70683090	Hydrogen_Bond_Donor_Count	0
14269	Undefined_Bond_Stereo_Count	0
10770	Total_Formal_Charge	0
16219580	TPSA	110
541483	Hydrogen_Bond_Acceptor_Count	1
612794	Defined_Atom_Stereo_Count	0
65726	Mono_Isotopic_Weight	114.031694049
21455617	Non-hydrogen_Atom_Count	7
7501	Hydrogen_Bond_Donor_Count	0
11249248	Undefined_Atom_Stereo_Count	0
4432	Non-hydrogen_Atom_Count	31
6973628	XLogP3-AA	1.6
10718	Isotope_Atom_Count	0
134	XLogP3-AA	0.1
57515976	Rotatable_Bond_Count	1
5365811	Mono_Isotopic_Weight	98.073164938
5834	Undefined_Atom_Stereo_Count	0
3588	TPSA	118
53318410	Molecular_Weight	253.29
692189	TPSA	137
18542	Defined_Atom_Stereo_Count	0
41043	Rotatable_Bond_Count	2
5288033	Non-hydrogen_Atom_Count	19
6433110	Undefined_Atom_Stereo_Count	0
70077074	Defined_Bond_Stereo_Count	0
637593	Hydrogen_Bond_Acceptor_Count	1
21642	Isotope_Atom_Count	0
3729	Defined_Atom_Stereo_Count	0
12256	Structure_Complexity	25.1
13387	Covalent_Unit_Count	1
4176748	Undefined_Atom_Stereo_Count	0
9928	Exact_Mass	327.1389920
2115	Molecular_Weight	224.15
158726884	Molecular_Weight	108.14
59594973	Structure_Complexity	72.9
79309	Mono_Isotopic_Weight	184.0403406
10898	Tautomer_Count	1
56669107	Mono_Isotopic_Weight	393.17133645
16312	Exact_Mass	195.9846556
8080	Isotope_Atom_Count	0
23527	Mono_Isotopic_Weight	114.115698455
123248674	Structure_Complexity	60.7
437	Molecular_Weight	179.17
57030	Hydrogen_Bond_Acceptor_Count	5
86122	Tautomer_Count	2
33929	Undefined_Bond_Stereo_Count	0
14962	Mono_Isotopic_Weight	623.21150888
62416539	Undefined_Bond_Stereo_Count	0
3055168	Tautomer_Count	5
14379827	Hydrogen_Bond_Donor_Count	1
53405	TPSA	74.4
76092	Undefined_Bond_Stereo_Count	0
43193	Hydrogen_Bond_Donor_Count	0
701498	Undefined_Bond_Stereo_Count	0
44129648	Molecular_Weight	418.5
163198965	Molecular_Weight	248.32
11293303	Defined_Atom_Stereo_Count	5
52922056	Total_Formal_Charge	0
45270802	Exact_Mass	531.25088995
129721137	Covalent_Unit_Count	1
833992	Rotatable_Bond_Count	2
17174	Non-hydrogen_Atom_Count	8
129628281	Hydrogen_Bond_Acceptor_Count	26
50317	XLogP3-AA	3.6
6857538	Undefined_Atom_Stereo_Count	0
86288	Undefined_Atom_Stereo_Count	3
278580	Molecular_Weight	116.11
25185057	Structure_Complexity	851
21107383	Molecular_Weight	376.9
265370	Exact_Mass	113.084063974
30177	TPSA	17.1
140554	Structure_Complexity	95
34237	Undefined_Bond_Stereo_Count	0
75228679	Isotope_Atom_Count	0
2551	Molecular_Weight	147.20
11583	Total_Formal_Charge	0
54335228	XLogP3-AA	0.2
9868580	Hydrogen_Bond_Acceptor_Count	4
11466	Undefined_Bond_Stereo_Count	0
10197675	Non-hydrogen_Atom_Count	8
60196362	Hydrogen_Bond_Acceptor_Count	8
856278	Undefined_Atom_Stereo_Count	0
20097868	TPSA	23.8
3034393	Covalent_Unit_Count	1
4454	Hydrogen_Bond_Donor_Count	13
4678317	Undefined_Atom_Stereo_Count	0
39860	Covalent_Unit_Count	1
3246242	TPSA	62.3
21323	Rotatable_Bond_Count	2
6426	Hydrogen_Bond_Donor_Count	0
2463138	Total_Formal_Charge	0
71342	Rotatable_Bond_Count	5
53693033	Rotatable_Bond_Count	2
162268	Hydrogen_Bond_Donor_Count	0
549699	XLogP3-AA	0.9
57445155	Undefined_Bond_Stereo_Count	0
8558	Non-hydrogen_Atom_Count	28
13052471	Covalent_Unit_Count	1
4110039	Covalent_Unit_Count	2
26176	Hydrogen_Bond_Donor_Count	0
39546	Isotope_Atom_Count	0
39198	Structure_Complexity	332
25199807	Mono_Isotopic_Weight	264.034001
21356643	Non-hydrogen_Atom_Count	32
22015260	Defined_Atom_Stereo_Count	0
3032771	Rotatable_Bond_Count	10
11213558	Undefined_Bond_Stereo_Count	0
69488026	Rotatable_Bond_Count	0
57393451	Isotope_Atom_Count	0
9915	XLogP3	5.2
21020205	Defined_Atom_Stereo_Count	0
281135	Isotope_Atom_Count	0
71624688	Total_Formal_Charge	0
8437	Non-hydrogen_Atom_Count	23
9283	Hydrogen_Bond_Acceptor_Count	3
219990	Undefined_Atom_Stereo_Count	0
641000	Defined_Atom_Stereo_Count	0
5460797	Non-hydrogen_Atom_Count	8
20314	Rotatable_Bond_Count	0
9187	Covalent_Unit_Count	1
67374618	Defined_Bond_Stereo_Count	0
44457968	Defined_Bond_Stereo_Count	0
43424	Defined_Bond_Stereo_Count	0
6450842	Hydrogen_Bond_Donor_Count	1
911106	TPSA	32.7
9259	Molecular_Weight	80.09
1358	Total_Formal_Charge	0
13613	XLogP3	0.9
135532295	Exact_Mass	194.105527694
118459248	Mono_Isotopic_Weight	342.11621151
120942	Total_Formal_Charge	4
45807	Undefined_Atom_Stereo_Count	0
2734	Defined_Bond_Stereo_Count	0
68320	Defined_Atom_Stereo_Count	0
42512	Defined_Atom_Stereo_Count	0
973350	Hydrogen_Bond_Donor_Count	0
9124	Tautomer_Count	1
9207	XLogP3	0.6
67420384	Non-hydrogen_Atom_Count	8
67900	Defined_Atom_Stereo_Count	0
5497174	Total_Formal_Charge	0
156592459	Defined_Bond_Stereo_Count	0
40973	Structure_Complexity	605
11565289	Undefined_Atom_Stereo_Count	1
210332	Mono_Isotopic_Weight	393.22770851
9865929	Hydrogen_Bond_Donor_Count	2
22636790	Undefined_Bond_Stereo_Count	0
74888	Exact_Mass	473.91501
10839	Defined_Bond_Stereo_Count	0
101130	Rotatable_Bond_Count	0
19736307	Rotatable_Bond_Count	22
57773	Rotatable_Bond_Count	5
73604	Isotope_Atom_Count	0
83528703	Isotope_Atom_Count	0
12695793	Defined_Atom_Stereo_Count	0
58489260	Undefined_Atom_Stereo_Count	2
135505	XLogP3-AA	4.4
33377	Structure_Complexity	76.2
1394	Rotatable_Bond_Count	21
65409	Rotatable_Bond_Count	2
79856	Mono_Isotopic_Weight	166.062994177
635911	Exact_Mass	590.31043507
472181	Undefined_Atom_Stereo_Count	0
65947	Mono_Isotopic_Weight	461.10568470
516872	Molecular_Weight	97.18
16049450	Molecular_Weight	482.1
447466	Mono_Isotopic_Weight	70.041864811
13374320	Hydrogen_Bond_Donor_Count	1
6018	Mono_Isotopic_Weight	317.19909372
129635152	Exact_Mass	143.95643836
57871279	Non-hydrogen_Atom_Count	8
87851	Total_Formal_Charge	0
75082	Defined_Bond_Stereo_Count	0
2723789	Undefined_Bond_Stereo_Count	0
160617	Hydrogen_Bond_Donor_Count	6
267449	Hydrogen_Bond_Acceptor_Count	5
57077346	Hydrogen_Bond_Donor_Count	0
88482362	Structure_Complexity	182
22646212	Defined_Bond_Stereo_Count	0
121892	XLogP3-AA	2.8
12303	Defined_Atom_Stereo_Count	0
1382043	Molecular_Weight	107.11
63826	Tautomer_Count	50
9568700	Molecular_Weight	206.27
570	Undefined_Bond_Stereo_Count	2
54236240	Undefined_Bond_Stereo_Count	0
53917786	Undefined_Bond_Stereo_Count	0
88524529	Structure_Complexity	153
68678	Exact_Mass	287.0971445
17994637	Isotope_Atom_Count	0
19954	Exact_Mass	186.090546336
8748	Molecular_Weight	154.25
17195	Covalent_Unit_Count	3
129803162	Undefined_Bond_Stereo_Count	0
10698	Covalent_Unit_Count	1
10930422	Undefined_Atom_Stereo_Count	0
12049	Hydrogen_Bond_Donor_Count	1
84647602	Hydrogen_Bond_Donor_Count	1
98058	Rotatable_Bond_Count	0
6372	XLogP3-AA	1.8
9879302	Defined_Bond_Stereo_Count	0
71334656	Covalent_Unit_Count	1
656981	Covalent_Unit_Count	2
27476	Non-hydrogen_Atom_Count	20
10969955	Molecular_Weight	343.4
8842	Total_Formal_Charge	0
64510	Structure_Complexity	512
23663404	Defined_Atom_Stereo_Count	5
65392523	Isotope_Atom_Count	0
37511	Molecular_Weight	103.16
13817	Molecular_Weight	680.8
16219567	Molecular_Weight	342.30
66536	Structure_Complexity	516
10374415	Hydrogen_Bond_Acceptor_Count	1
75605138	Defined_Bond_Stereo_Count	0
96261	Hydrogen_Bond_Donor_Count	1
62280	Structure_Complexity	2330
11908489	Structure_Complexity	382
705145	Non-hydrogen_Atom_Count	24
83797	Exact_Mass	84.057514874
11973	Undefined_Bond_Stereo_Count	0
455401	Defined_Atom_Stereo_Count	0
5357253	XLogP3-AA	3.6
3778	Mono_Isotopic_Weight	230.141913202
18626412	Molecular_Weight	102.13
641001	Exact_Mass	83.073499291
11675054	Defined_Atom_Stereo_Count	0
537025	Hydrogen_Bond_Donor_Count	0
10407	Defined_Atom_Stereo_Count	0
54739	Mono_Isotopic_Weight	311.12699141
7287	Hydrogen_Bond_Donor_Count	1
15057	Undefined_Atom_Stereo_Count	1
9579	Non-hydrogen_Atom_Count	12
71450114	Undefined_Bond_Stereo_Count	0
138991760	Undefined_Bond_Stereo_Count	0
68718	Exact_Mass	440.08242672
517827	Total_Formal_Charge	0
15972136	Covalent_Unit_Count	2
4231972	TPSA	59.1
19049960	Mono_Isotopic_Weight	99.068413911
67568	XLogP3-AA	3
54605802	Total_Formal_Charge	0
21942786	Undefined_Bond_Stereo_Count	0
35729	Mono_Isotopic_Weight	183.0087061
2590	Total_Formal_Charge	0
91282244	XLogP3-AA	1
23663992	Tautomer_Count	4
3995	Defined_Atom_Stereo_Count	0
3357	Mono_Isotopic_Weight	369.13002593
62835	Rotatable_Bond_Count	0
227801	Structure_Complexity	268
153305234	Rotatable_Bond_Count	4
117957810	Covalent_Unit_Count	1
391144	Non-hydrogen_Atom_Count	36
135814155	Molecular_Weight	500.5
23278030	Defined_Atom_Stereo_Count	0
858712	Covalent_Unit_Count	1
381993	TPSA	85.1
87380	Mono_Isotopic_Weight	240.133427172
114523	Undefined_Bond_Stereo_Count	0
5807	Molecular_Weight	247.72
23642275	Total_Formal_Charge	0
17179	Hydrogen_Bond_Acceptor_Count	3
23533322	XLogP3-AA	2.3
60018	Exact_Mass	292.04840674
47884	Defined_Atom_Stereo_Count	0
248333	Structure_Complexity	158
5249961	TPSA	36.1
40428945	TPSA	65.9
85505	Molecular_Weight	185.56
70400351	Hydrogen_Bond_Donor_Count	1
26514	Hydrogen_Bond_Acceptor_Count	2
6917974	Undefined_Bond_Stereo_Count	0
62357	Exact_Mass	442.22564282
691409	Isotope_Atom_Count	0
22833326	Exact_Mass	446.33960994
1951	Exact_Mass	564.21598161
119025724	Defined_Bond_Stereo_Count	0
156580481	Defined_Bond_Stereo_Count	0
23714647	Total_Formal_Charge	0
4756	Tautomer_Count	12
26908	Structure_Complexity	361
20140931	Isotope_Atom_Count	0
73353578	Total_Formal_Charge	0
14909248	Hydrogen_Bond_Acceptor_Count	1
84481	Defined_Bond_Stereo_Count	0
77441779	Rotatable_Bond_Count	2
81540	Structure_Complexity	54
27124	Exact_Mass	318.136827821
135582708	TPSA	170
5288672	Rotatable_Bond_Count	6
15475335	Hydrogen_Bond_Acceptor_Count	2
656685	TPSA	143
3081905	Non-hydrogen_Atom_Count	96
13570060	Undefined_Bond_Stereo_Count	0
9585	Hydrogen_Bond_Donor_Count	3
6834	Defined_Atom_Stereo_Count	0
24646	Mono_Isotopic_Weight	85.9326200
71814	Exact_Mass	188.03072886
31076	Undefined_Bond_Stereo_Count	0
82326	Undefined_Atom_Stereo_Count	0
79772	Tautomer_Count	2
1549133	XLogP3-AA	4.4
53320156	Exact_Mass	429.15109816
154507527	Total_Formal_Charge	0
129710649	Non-hydrogen_Atom_Count	7
342	Isotope_Atom_Count	0
6323264	Isotope_Atom_Count	0
17756737	Hydrogen_Bond_Acceptor_Count	4
247974	Total_Formal_Charge	0
23567810	Defined_Atom_Stereo_Count	0
12956086	Undefined_Atom_Stereo_Count	0
19518	Exact_Mass	446.25694295
10899521	Undefined_Bond_Stereo_Count	0
9828310	TPSA	114
6444353	Hydrogen_Bond_Acceptor_Count	5
63991	Isotope_Atom_Count	0
6961	Rotatable_Bond_Count	4
162918373	Exact_Mass	1201.84136802
60569	Defined_Bond_Stereo_Count	0
58084	Undefined_Bond_Stereo_Count	0
483	Structure_Complexity	428
72099	Isotope_Atom_Count	0
3003791	TPSA	112
58095461	Non-hydrogen_Atom_Count	7
10407120	Non-hydrogen_Atom_Count	28
18555	Total_Formal_Charge	0
25185	Total_Formal_Charge	0
15690	Isotope_Atom_Count	0
12271825	Total_Formal_Charge	0
303547	Total_Formal_Charge	0
24199	Mono_Isotopic_Weight	317.259288680
135461939	Molecular_Weight	270.24
687906	Undefined_Bond_Stereo_Count	0
12514206	Mono_Isotopic_Weight	106.053098200
987	Mono_Isotopic_Weight	358.09635925
5376979	Non-hydrogen_Atom_Count	18
13248127	Rotatable_Bond_Count	2
45559	Defined_Bond_Stereo_Count	0
20523406	Molecular_Weight	98.14
14899	Rotatable_Bond_Count	10
2773450	Hydrogen_Bond_Donor_Count	1
12471321	Undefined_Atom_Stereo_Count	2
12581088	Covalent_Unit_Count	1
6436082	Defined_Atom_Stereo_Count	0
54685920	Tautomer_Count	420
71377	Molecular_Weight	473.4
47455	Non-hydrogen_Atom_Count	21
80519	Rotatable_Bond_Count	1
12285886	Defined_Bond_Stereo_Count	0
71469	Undefined_Bond_Stereo_Count	0
7369	Structure_Complexity	186
129831062	TPSA	50.3
99129	Covalent_Unit_Count	1
14764322	Defined_Bond_Stereo_Count	0
125286697	Defined_Bond_Stereo_Count	2
147097491	TPSA	9.2
59772	Undefined_Atom_Stereo_Count	0
534235	Hydrogen_Bond_Acceptor_Count	1
70686820	Hydrogen_Bond_Donor_Count	1
44564107	Exact_Mass	7591.7553328
42580058	Undefined_Atom_Stereo_Count	0
54194114	Defined_Bond_Stereo_Count	0
53677339	Defined_Bond_Stereo_Count	0
20055509	Undefined_Bond_Stereo_Count	0
19027815	Covalent_Unit_Count	1
56675795	Covalent_Unit_Count	1
51340308	Hydrogen_Bond_Acceptor_Count	4
64746	Hydrogen_Bond_Acceptor_Count	6
156614059	Undefined_Atom_Stereo_Count	0
92166	Defined_Bond_Stereo_Count	0
22561495	Molecular_Weight	223.31
2724290	Undefined_Atom_Stereo_Count	0
47024	Exact_Mass	378.08043
375912	Hydrogen_Bond_Acceptor_Count	1
129864962	Exact_Mass	322.11398438
1394	Covalent_Unit_Count	1
67452149	Rotatable_Bond_Count	0
430945	Isotope_Atom_Count	0
67172	Tautomer_Count	45
23117804	Structure_Complexity	94.4
153994	Non-hydrogen_Atom_Count	30
2209	Defined_Atom_Stereo_Count	0
55300430	Covalent_Unit_Count	1
101614363	Structure_Complexity	366
24802025	Covalent_Unit_Count	1
58158	Defined_Atom_Stereo_Count	0
12117	Non-hydrogen_Atom_Count	16
49968	Structure_Complexity	277
135413505	Structure_Complexity	415
121235530	Exact_Mass	3356.8220541
27697	Molecular_Weight	201.31
98047378	Isotope_Atom_Count	0
117781134	Rotatable_Bond_Count	2
3781988	Hydrogen_Bond_Donor_Count	0
16129632	Structure_Complexity	3700
88974	Rotatable_Bond_Count	0
31378	Molecular_Weight	380.4
5053	Tautomer_Count	1
20062226	Total_Formal_Charge	0
91298647	Defined_Atom_Stereo_Count	0
15909	Hydrogen_Bond_Donor_Count	0
26546	Defined_Bond_Stereo_Count	0
79137	TPSA	35.5
10017019	Exact_Mass	288.00106
10430619	Exact_Mass	392.19990218
3356829	Exact_Mass	117.9821570
801	Exact_Mass	174.055503498
70065832	Isotope_Atom_Count	0
172296	Hydrogen_Bond_Donor_Count	1
11423566	Defined_Bond_Stereo_Count	0
9949848	Exact_Mass	340.240230259
34755	Undefined_Bond_Stereo_Count	0
8367	Defined_Bond_Stereo_Count	0
6538981	Mono_Isotopic_Weight	486.1337794
14964043	Non-hydrogen_Atom_Count	7
49791	Hydrogen_Bond_Donor_Count	3
224004	Defined_Atom_Stereo_Count	8
69301023	Hydrogen_Bond_Acceptor_Count	11
33775	Rotatable_Bond_Count	2
27436	Defined_Bond_Stereo_Count	0
92140	Undefined_Atom_Stereo_Count	0
20517177	Undefined_Atom_Stereo_Count	0
21333560	Undefined_Atom_Stereo_Count	0
6835	Covalent_Unit_Count	1
398687	Hydrogen_Bond_Acceptor_Count	5
49862691	XLogP3-AA	3.6
667449	Structure_Complexity	457
77245	Structure_Complexity	218
6641	Undefined_Atom_Stereo_Count	0
9805430	XLogP3-AA	0.8
57402175	Isotope_Atom_Count	0
3347	Defined_Atom_Stereo_Count	0
78759348	Isotope_Atom_Count	0
15433	Covalent_Unit_Count	1
2734819	Defined_Atom_Stereo_Count	0
121194	Covalent_Unit_Count	1
91434	Rotatable_Bond_Count	4
79510	Non-hydrogen_Atom_Count	11
445258	Covalent_Unit_Count	1
5364714	Hydrogen_Bond_Acceptor_Count	2
15926139	Isotope_Atom_Count	0
5009	Hydrogen_Bond_Donor_Count	1
66091	TPSA	92
4556055	TPSA	55.7
36014	Tautomer_Count	1
12578534	Hydrogen_Bond_Donor_Count	0
90452	TPSA	23.5
5284623	Hydrogen_Bond_Acceptor_Count	14
59799570	Hydrogen_Bond_Donor_Count	3
12434155	Rotatable_Bond_Count	1
4032	Non-hydrogen_Atom_Count	12
2766744	Exact_Mass	362.0200529
5284452	Defined_Bond_Stereo_Count	0
45116609	Undefined_Bond_Stereo_Count	0
5323984	Total_Formal_Charge	0
16329	Exact_Mass	231.98876
3968000	XLogP3-AA	5.1
5311283	Rotatable_Bond_Count	9
12385939	Non-hydrogen_Atom_Count	8
5353646	Hydrogen_Bond_Acceptor_Count	2
44190553	Rotatable_Bond_Count	2
44590402	Molecular_Weight	396.5
5656	Undefined_Bond_Stereo_Count	0
644113	Total_Formal_Charge	0
138117	Covalent_Unit_Count	1
23279304	Defined_Bond_Stereo_Count	0
13400657	Structure_Complexity	56
196529	Defined_Bond_Stereo_Count	0
13662	Hydrogen_Bond_Acceptor_Count	2
101115582	Isotope_Atom_Count	0
71462100	Total_Formal_Charge	0
93536	TPSA	68
14179008	Mono_Isotopic_Weight	704.2393071
139057082	Structure_Complexity	323
67242031	Rotatable_Bond_Count	0
13968540	Hydrogen_Bond_Donor_Count	0
79143	Exact_Mass	125.058911855
4412	Hydrogen_Bond_Acceptor_Count	21
118703	XLogP3-AA	4.8
156598696	Isotope_Atom_Count	0
81530	Undefined_Atom_Stereo_Count	0
7098663	Defined_Atom_Stereo_Count	5
143811683	Covalent_Unit_Count	1
168365	Non-hydrogen_Atom_Count	2
10820489	Hydrogen_Bond_Donor_Count	1
17239	Covalent_Unit_Count	1
93143	Defined_Bond_Stereo_Count	0
41881	Rotatable_Bond_Count	11
17563	Covalent_Unit_Count	1
96420	Hydrogen_Bond_Donor_Count	1
11725	Non-hydrogen_Atom_Count	5
106219	Hydrogen_Bond_Donor_Count	0
100964856	XLogP3-AA	0.1
4630	Defined_Bond_Stereo_Count	0
12648279	Mono_Isotopic_Weight	134.0498427
799	Covalent_Unit_Count	1
129666673	Undefined_Atom_Stereo_Count	0
87663190	Hydrogen_Bond_Donor_Count	0
107780	Total_Formal_Charge	0
70957	Defined_Bond_Stereo_Count	0
60452	Molecular_Weight	338.4
5042	Structure_Complexity	598
2723772	Total_Formal_Charge	0
67967	Non-hydrogen_Atom_Count	11
368	Hydrogen_Bond_Donor_Count	3
15475283	Total_Formal_Charge	0
91807240	TPSA	29
96261	Covalent_Unit_Count	1
53973376	Hydrogen_Bond_Donor_Count	1
5282547	Undefined_Bond_Stereo_Count	0
135121972	Isotope_Atom_Count	0
16695	Hydrogen_Bond_Acceptor_Count	0
140951	Undefined_Atom_Stereo_Count	0
60947	Tautomer_Count	1
44565820	Covalent_Unit_Count	1
54343	Molecular_Weight	353.8
19063438	Non-hydrogen_Atom_Count	8
26859	Covalent_Unit_Count	1
8660	Structure_Complexity	229
23116322	Defined_Atom_Stereo_Count	0
3340552	XLogP3-AA	3.5
668	Isotope_Atom_Count	0
5307	Mono_Isotopic_Weight	296.11609238
21617274	Defined_Atom_Stereo_Count	0
150868	Non-hydrogen_Atom_Count	14
16679	Hydrogen_Bond_Donor_Count	0
377	Covalent_Unit_Count	1
121271792	Defined_Bond_Stereo_Count	0
867425	Hydrogen_Bond_Donor_Count	2
72502326	Covalent_Unit_Count	1
104881	Covalent_Unit_Count	1
278	Covalent_Unit_Count	1
72416	TPSA	46.2
443118	Isotope_Atom_Count	0
20198022	Undefined_Bond_Stereo_Count	0
9015	Mono_Isotopic_Weight	124.052429494
447815	XLogP3-AA	2
9690105	Mono_Isotopic_Weight	547.0281559
71757929	Rotatable_Bond_Count	4
6293	Covalent_Unit_Count	1
10077147	Defined_Bond_Stereo_Count	0
66913	Undefined_Bond_Stereo_Count	0
9792	Non-hydrogen_Atom_Count	28
63982	Rotatable_Bond_Count	9
73415798	Hydrogen_Bond_Acceptor_Count	20
68705	Hydrogen_Bond_Donor_Count	1
77077	Covalent_Unit_Count	1
29096	Structure_Complexity	116
11639	Structure_Complexity	4.8
11949646	Tautomer_Count	1
9956222	Non-hydrogen_Atom_Count	35
17016	Tautomer_Count	9
22304	Defined_Atom_Stereo_Count	0
24986999	Defined_Atom_Stereo_Count	4
5353830	Defined_Bond_Stereo_Count	1
53320114	TPSA	25.4
66068	Defined_Atom_Stereo_Count	0
3607724	Covalent_Unit_Count	1
83023	Rotatable_Bond_Count	8
5288525	XLogP3-AA	1.3
164912	Defined_Bond_Stereo_Count	0
712239	Defined_Bond_Stereo_Count	0
410615	Exact_Mass	101.084063974
40466932	Rotatable_Bond_Count	1
12214987	Exact_Mass	106.078250319
14651092	Undefined_Atom_Stereo_Count	0
21581827	Covalent_Unit_Count	1
53806072	Covalent_Unit_Count	1
15007	Total_Formal_Charge	0
65565	Total_Formal_Charge	0
969152	Total_Formal_Charge	0
5249	Total_Formal_Charge	0
69342109	Defined_Bond_Stereo_Count	0
5353970	XLogP3-AA	6.3
137955303	Undefined_Atom_Stereo_Count	1
5454	Defined_Bond_Stereo_Count	0
70690049	Rotatable_Bond_Count	3
54562506	TPSA	20.2
182176	Structure_Complexity	227
4604	Defined_Bond_Stereo_Count	0
18541939	Total_Formal_Charge	0
21265	Undefined_Atom_Stereo_Count	0
12573513	Isotope_Atom_Count	0
86063	Rotatable_Bond_Count	2
21584661	Defined_Bond_Stereo_Count	0
135481969	Undefined_Bond_Stereo_Count	0
35810	Molecular_Weight	204.29
18755330	XLogP3-AA	0.2
5154691	Mono_Isotopic_Weight	331.17969569
84647715	Covalent_Unit_Count	1
53151	TPSA	62.1
15437	Molecular_Weight	206.27
14601092	Defined_Bond_Stereo_Count	0
14536538	Structure_Complexity	524
8657	Tautomer_Count	1
90592	Undefined_Bond_Stereo_Count	1
66494	Molecular_Weight	320.3
41545	Rotatable_Bond_Count	5
667657	Defined_Atom_Stereo_Count	0
140377273	Undefined_Atom_Stereo_Count	0
105427002	Non-hydrogen_Atom_Count	8
52508	Undefined_Atom_Stereo_Count	1
27909	Isotope_Atom_Count	0
4253	Covalent_Unit_Count	1
24848267	Hydrogen_Bond_Donor_Count	2
792027	Tautomer_Count	1
71305034	Molecular_Weight	408.4
16162116	Mono_Isotopic_Weight	2931.5806412
3032910	Structure_Complexity	469
140181	Total_Formal_Charge	0
527072	TPSA	0
12532	Total_Formal_Charge	0
210326	Covalent_Unit_Count	1
222516	XLogP3-AA	0.4
4363	Undefined_Bond_Stereo_Count	0
33604	Molecular_Weight	282.5
219071	Defined_Atom_Stereo_Count	0
131737226	Hydrogen_Bond_Acceptor_Count	6
1551	Exact_Mass	171.162314293
349890	Undefined_Atom_Stereo_Count	1
57448758	Isotope_Atom_Count	0
256019	Rotatable_Bond_Count	4
2729005	Defined_Atom_Stereo_Count	1
437085	Non-hydrogen_Atom_Count	22
123392765	Exact_Mass	363.19467705
154101	Undefined_Bond_Stereo_Count	0
23729878	TPSA	72.6
6917738	Isotope_Atom_Count	0
6484	Undefined_Atom_Stereo_Count	0
54144657	Non-hydrogen_Atom_Count	7
53323075	Rotatable_Bond_Count	8
22947120	Structure_Complexity	126
21889100	Hydrogen_Bond_Acceptor_Count	4
642376	Non-hydrogen_Atom_Count	14
7668	Defined_Atom_Stereo_Count	0
45356890	Covalent_Unit_Count	1
57369467	Hydrogen_Bond_Donor_Count	1
15208461	Isotope_Atom_Count	0
3016570	Undefined_Bond_Stereo_Count	0
118984402	Undefined_Atom_Stereo_Count	2
11553983	Exact_Mass	440.22122615
115355	Tautomer_Count	8
67322	Undefined_Bond_Stereo_Count	0
87279974	Undefined_Atom_Stereo_Count	0
91805	XLogP3-AA	1.7
25023836	Undefined_Bond_Stereo_Count	0
945	XLogP3-AA	0.2
58814044	Exact_Mass	96.068748264
90909703	Undefined_Bond_Stereo_Count	2
821	Defined_Atom_Stereo_Count	0
91480910	Defined_Bond_Stereo_Count	0
18713001	Total_Formal_Charge	0
2734248	Isotope_Atom_Count	0
22956467	Total_Formal_Charge	2
708614	Total_Formal_Charge	0
57396150	Mono_Isotopic_Weight	462.23007675
65411	Rotatable_Bond_Count	1
63198	Mono_Isotopic_Weight	252.126263138
71402	Non-hydrogen_Atom_Count	30
136187	Non-hydrogen_Atom_Count	5
132940892	Exact_Mass	555.27517176
6321422	Structure_Complexity	643
11869222	Defined_Bond_Stereo_Count	0
69601	Mono_Isotopic_Weight	116.062600255
68933	Mono_Isotopic_Weight	264.06809681
76956848	Hydrogen_Bond_Donor_Count	1
177949	Defined_Bond_Stereo_Count	0
10000989	Undefined_Atom_Stereo_Count	0
20711973	Exact_Mass	105.057849228
123585399	Exact_Mass	97.052763847
1383884	Non-hydrogen_Atom_Count	25
47670	Isotope_Atom_Count	0
97865	TPSA	77
11263492	Defined_Bond_Stereo_Count	0
444679	Rotatable_Bond_Count	4
35912	Defined_Bond_Stereo_Count	0
54502555	Defined_Bond_Stereo_Count	0
59907918	Isotope_Atom_Count	0
139088049	Covalent_Unit_Count	6
122214397	TPSA	311
23952	Structure_Complexity	0
6420040	Undefined_Atom_Stereo_Count	0
72736	XLogP3-AA	4.7
9520	Rotatable_Bond_Count	6
154225133	Hydrogen_Bond_Donor_Count	1
73828	XLogP3-AA	2.1
18947655	Exact_Mass	98.048012819
517106	Undefined_Atom_Stereo_Count	0
6917662	Mono_Isotopic_Weight	283.1702921
6494	Tautomer_Count	1
10630	Isotope_Atom_Count	0
141455911	Hydrogen_Bond_Donor_Count	1
135621753	Undefined_Bond_Stereo_Count	0
13551761	Hydrogen_Bond_Donor_Count	1
289847	Undefined_Bond_Stereo_Count	0
6004	Total_Formal_Charge	0
11186829	Defined_Bond_Stereo_Count	0
13107533	Exact_Mass	102.068079557
83156	Defined_Atom_Stereo_Count	0
53708664	Defined_Atom_Stereo_Count	0
1899	Covalent_Unit_Count	1
971	TPSA	74.6
53701416	Covalent_Unit_Count	1
43580	Defined_Bond_Stereo_Count	0
108147	Molecular_Weight	842.0
21482439	TPSA	9.2
53426560	Defined_Bond_Stereo_Count	0
87517	Defined_Atom_Stereo_Count	0
38033	Molecular_Weight	257.5
5282315	Non-hydrogen_Atom_Count	58
593919	Defined_Atom_Stereo_Count	0
453251	Tautomer_Count	1
85627952	Undefined_Atom_Stereo_Count	1
68289010	Mono_Isotopic_Weight	345.14504152
135484176	Molecular_Weight	796.9
260716	Non-hydrogen_Atom_Count	8
3034013	Rotatable_Bond_Count	10
537387	Total_Formal_Charge	0
363	Undefined_Bond_Stereo_Count	0
3798	Covalent_Unit_Count	1
59269569	Rotatable_Bond_Count	2
57396593	Structure_Complexity	625
13885286	TPSA	101
3530398	XLogP3-AA	2.8
13190	Exact_Mass	154.172150702
85912645	Exact_Mass	98.036779430
732872	TPSA	54
101874073	Exact_Mass	324.183778013
13772685	Exact_Mass	259.96981
7405	Covalent_Unit_Count	1
4961971	Structure_Complexity	62.7
75477	Exact_Mass	230.15180918
24815434	Defined_Bond_Stereo_Count	0
5094384	Exact_Mass	223.00650487
19347790	Rotatable_Bond_Count	0
135499741	Tautomer_Count	5
6957672	XLogP3-AA	3.9
19043237	Exact_Mass	104.094963011
3035817	XLogP3-AA	2.8
9908268	Undefined_Bond_Stereo_Count	0
597	Mono_Isotopic_Weight	111.043261792
51930	Tautomer_Count	1
275933	Structure_Complexity	94.7
13359	TPSA	53.3
62097	Hydrogen_Bond_Donor_Count	1
97205	Defined_Atom_Stereo_Count	0
89027467	Hydrogen_Bond_Donor_Count	0
46220	Tautomer_Count	1
131632429	Hydrogen_Bond_Acceptor_Count	12
54480857	Defined_Bond_Stereo_Count	0
3874	TPSA	188
2764068	Covalent_Unit_Count	1
8859	Exact_Mass	102.05416083
642633	Total_Formal_Charge	0
2192	Molecular_Weight	284.4
59144	Total_Formal_Charge	0
87682885	Rotatable_Bond_Count	1
5281099	Undefined_Bond_Stereo_Count	0
4691	Molecular_Weight	329.4
10909529	Total_Formal_Charge	0
77520435	Exact_Mass	358.19836
53723443	Undefined_Bond_Stereo_Count	0
73253	Undefined_Bond_Stereo_Count	0
23682190	Undefined_Bond_Stereo_Count	0
155903765	Non-hydrogen_Atom_Count	54
12908367	Defined_Atom_Stereo_Count	0
99143	Hydrogen_Bond_Donor_Count	2
82078	Total_Formal_Charge	0
16241	Undefined_Bond_Stereo_Count	0
18470	Structure_Complexity	274
129711560	Undefined_Atom_Stereo_Count	4
37393	Undefined_Atom_Stereo_Count	1
129861997	Undefined_Bond_Stereo_Count	0
11675388	Covalent_Unit_Count	1
7066	Mono_Isotopic_Weight	261.12996879
90488866	Covalent_Unit_Count	4
136893	TPSA	18.5
16681432	Hydrogen_Bond_Acceptor_Count	13
221511	Defined_Bond_Stereo_Count	0
144456	Mono_Isotopic_Weight	98.109550447
2777982	Tautomer_Count	3
5481350	Covalent_Unit_Count	1
76966897	TPSA	557
54125435	Undefined_Atom_Stereo_Count	0
5889665	Defined_Atom_Stereo_Count	0
107327	Non-hydrogen_Atom_Count	16
5081356	Structure_Complexity	1080
2724552	Undefined_Atom_Stereo_Count	0
5319765	Defined_Atom_Stereo_Count	0
10064061	Defined_Atom_Stereo_Count	2
722163	Undefined_Bond_Stereo_Count	0
5352133	Undefined_Bond_Stereo_Count	0
70425	Exact_Mass	382.13339621
8133	Defined_Bond_Stereo_Count	0
821598	Mono_Isotopic_Weight	334.0356491
105426928	Covalent_Unit_Count	1
66162	Isotope_Atom_Count	0
23649245	Undefined_Atom_Stereo_Count	0
3829279	Rotatable_Bond_Count	3
78350	Total_Formal_Charge	0
23663412	Total_Formal_Charge	0
9826451	Defined_Atom_Stereo_Count	0
6917864	Exact_Mass	384.17841785
129893524	Covalent_Unit_Count	3
54745	Hydrogen_Bond_Acceptor_Count	6
126961335	Defined_Atom_Stereo_Count	1
40391	Mono_Isotopic_Weight	308.0716407
87479093	XLogP3-AA	0.6
88342387	Rotatable_Bond_Count	1
58630	Molecular_Weight	371.8
441277	Isotope_Atom_Count	0
851990	Total_Formal_Charge	0
13215601	Molecular_Weight	88.11
4472	Covalent_Unit_Count	1
20605239	TPSA	21.6
7274	Defined_Atom_Stereo_Count	0
3192	Non-hydrogen_Atom_Count	24
10351092	Isotope_Atom_Count	0
77737505	Hydrogen_Bond_Acceptor_Count	1
45484139	Hydrogen_Bond_Donor_Count	3
12429703	Structure_Complexity	112
14587284	Covalent_Unit_Count	1
160550	Hydrogen_Bond_Donor_Count	1
2866	Covalent_Unit_Count	1
81110	Hydrogen_Bond_Donor_Count	0
6427110	Rotatable_Bond_Count	4
24958528	Exact_Mass	463.32977354
112322	Undefined_Bond_Stereo_Count	0
21453	Defined_Atom_Stereo_Count	0
136115428	Rotatable_Bond_Count	1
3060974	Exact_Mass	441.1819195
18430688	Exact_Mass	108.057514874
6440900	TPSA	66.8
821916	Exact_Mass	201.0720553
12618	Rotatable_Bond_Count	2
10034991	TPSA	49.7
17235	Structure_Complexity	271
535722	XLogP3-AA	0.9
24848483	Molecular_Weight	497.9
90547	Mono_Isotopic_Weight	188.0352552
16738927	TPSA	132
688938	Structure_Complexity	394
2852	Total_Formal_Charge	0
21702736	Undefined_Bond_Stereo_Count	0
76223135	Isotope_Atom_Count	0
136069	Exact_Mass	130.053098200
121515	Non-hydrogen_Atom_Count	24
10470290	Hydrogen_Bond_Acceptor_Count	4
2756017	Undefined_Bond_Stereo_Count	0
593379	TPSA	92.8
22507733	TPSA	21.3
456255	Molecular_Weight	462.5
54206132	Non-hydrogen_Atom_Count	7
16132446	Covalent_Unit_Count	1
79149	Molecular_Weight	306.5
11446308	Exact_Mass	117.053826475
24901140	Hydrogen_Bond_Donor_Count	4
27368	Non-hydrogen_Atom_Count	19
60196275	Hydrogen_Bond_Donor_Count	1
54038691	Undefined_Atom_Stereo_Count	2
722587	Structure_Complexity	487
55105	Molecular_Weight	306.0
91460705	Exact_Mass	114.068079557
139077515	Undefined_Bond_Stereo_Count	0
11829372	Undefined_Atom_Stereo_Count	0
445071	Total_Formal_Charge	0
9319	XLogP3-AA	6
9883933	Total_Formal_Charge	0
81445	Total_Formal_Charge	0
93833	Rotatable_Bond_Count	2
37616	Structure_Complexity	320
16659841	Hydrogen_Bond_Acceptor_Count	8
65708	Mono_Isotopic_Weight	190.074227566
5280723	Total_Formal_Charge	0
60751	Covalent_Unit_Count	1
61664	Non-hydrogen_Atom_Count	7
6735	Defined_Atom_Stereo_Count	0
2092	Undefined_Bond_Stereo_Count	0
14020433	Total_Formal_Charge	0
19825780	Non-hydrogen_Atom_Count	7
146868632	Hydrogen_Bond_Acceptor_Count	2
11019447	Undefined_Bond_Stereo_Count	0
13296868	Rotatable_Bond_Count	4
4659	TPSA	174
72604488	Covalent_Unit_Count	1
20514195	Mono_Isotopic_Weight	103.063328530
20294925	Isotope_Atom_Count	0
443951	TPSA	51.4
6603820	Non-hydrogen_Atom_Count	20
8532	Rotatable_Bond_Count	0
54680676	TPSA	46.5
8593	Isotope_Atom_Count	0
148184	Undefined_Atom_Stereo_Count	0
9570076	Mono_Isotopic_Weight	289.0861010
14499052	Total_Formal_Charge	0
61293	TPSA	46.5
5461012	XLogP3-AA	6.8
189594	TPSA	23.5
601898	Non-hydrogen_Atom_Count	18
11869	XLogP3	2.9
25058186	Rotatable_Bond_Count	2
1497794	Mono_Isotopic_Weight	204.07211956
128113	Rotatable_Bond_Count	7
216712	Mono_Isotopic_Weight	332.03929861
5464253	Mono_Isotopic_Weight	357.07430439
17931	Non-hydrogen_Atom_Count	20
8418	Undefined_Bond_Stereo_Count	0
9994296	Covalent_Unit_Count	1
39765	Mono_Isotopic_Weight	557.43183330
4786	Defined_Atom_Stereo_Count	0
142422	XLogP3-AA	2.8
13932052	Rotatable_Bond_Count	1
90903483	Undefined_Bond_Stereo_Count	0
4884	Hydrogen_Bond_Donor_Count	1
55397	Total_Formal_Charge	0
445468	Total_Formal_Charge	0
102518	Hydrogen_Bond_Donor_Count	2
10231705	Rotatable_Bond_Count	7
543	Exact_Mass	186.01643791
29629	Isotope_Atom_Count	0
4369560	Rotatable_Bond_Count	4
90941530	Undefined_Bond_Stereo_Count	0
337218	Molecular_Weight	382.4
2174	Undefined_Bond_Stereo_Count	0
72296	Undefined_Bond_Stereo_Count	1
23063800	XLogP3-AA	0.2
11930	Exact_Mass	306.140850574
12408077	TPSA	29.6
2328	TPSA	74.9
11029783	Defined_Bond_Stereo_Count	0
139588352	Rotatable_Bond_Count	12
6433164	Mono_Isotopic_Weight	169.930244
52988031	Rotatable_Bond_Count	0
38260	TPSA	192
47979	Molecular_Weight	383.5
534918	Molecular_Weight	110.20
71593	Molecular_Weight	149.15
45356230	Undefined_Bond_Stereo_Count	0
11558904	Molecular_Weight	326.4
3918	XLogP3	3.1
69146	Rotatable_Bond_Count	3
60196336	Undefined_Bond_Stereo_Count	0
24643	Undefined_Atom_Stereo_Count	0
12097423	Non-hydrogen_Atom_Count	8
196529	TPSA	174
260716	Hydrogen_Bond_Acceptor_Count	0
73604	Hydrogen_Bond_Donor_Count	4
119083105	Isotope_Atom_Count	0
653145	Molecular_Weight	320.36
44531955	Covalent_Unit_Count	1
12222	Tautomer_Count	1
3520	Structure_Complexity	26.3
13999819	Isotope_Atom_Count	0
1700	XLogP3-AA	1.5
18600476	Defined_Bond_Stereo_Count	0
7116	Defined_Atom_Stereo_Count	0
11788284	Defined_Bond_Stereo_Count	0
136124	Defined_Atom_Stereo_Count	0
9574343	Non-hydrogen_Atom_Count	36
56680337	Defined_Bond_Stereo_Count	0
3548422	Tautomer_Count	1
66071	Molecular_Weight	88.15
21895380	Molecular_Weight	513.07
532295	Mono_Isotopic_Weight	212.083729621
5361192	Structure_Complexity	327
1024	Molecular_Weight	330.21
44311916	Mono_Isotopic_Weight	1018.44048069
53952865	Undefined_Atom_Stereo_Count	0
3376	Molecular_Weight	494.6
3085218	Structure_Complexity	345
155295864	Hydrogen_Bond_Donor_Count	0
14319678	Undefined_Bond_Stereo_Count	0
118388029	Structure_Complexity	222
14197638	Non-hydrogen_Atom_Count	8
82234717	Exact_Mass	100.063662883
60050	Rotatable_Bond_Count	3
9810771	Total_Formal_Charge	0
667550	Hydrogen_Bond_Donor_Count	1
919205	Tautomer_Count	2
10802	Defined_Bond_Stereo_Count	0
514067	Non-hydrogen_Atom_Count	24
102210	Mono_Isotopic_Weight	316.20384475
12747521	Exact_Mass	107.048347172
127150	TPSA	103
9956119	Mono_Isotopic_Weight	464.1031480
846962	Isotope_Atom_Count	0
6604122	Non-hydrogen_Atom_Count	27
23128	Isotope_Atom_Count	0
91488	Defined_Atom_Stereo_Count	9
53678703	Molecular_Weight	112.13
173612	Molecular_Weight	481.9
10246505	Defined_Atom_Stereo_Count	0
411312	XLogP3-AA	2.8
6432744	Non-hydrogen_Atom_Count	30
549808	XLogP3-AA	5
94169	Hydrogen_Bond_Donor_Count	9
6537505	Mono_Isotopic_Weight	250.15689456
67510	TPSA	0
11116543	Defined_Bond_Stereo_Count	0
134687034	Total_Formal_Charge	0
106824195	Hydrogen_Bond_Donor_Count	0
25014762	Molecular_Weight	446.5
2091	XLogP3-AA	6.8
146646427	Rotatable_Bond_Count	1
87367	Mono_Isotopic_Weight	293.16584950
5311110	Total_Formal_Charge	0
107670	Isotope_Atom_Count	0
12479	XLogP3	1.2
7929	Molecular_Weight	106.16
23581821	Mono_Isotopic_Weight	498.20900452
535717	Molecular_Weight	99.13
95010	Tautomer_Count	1
5403	Defined_Bond_Stereo_Count	0
91586	Rotatable_Bond_Count	2
11817188	Non-hydrogen_Atom_Count	17
10887857	Defined_Bond_Stereo_Count	0
16218600	Defined_Bond_Stereo_Count	0
174174	Non-hydrogen_Atom_Count	21
9143	TPSA	0
5362123	Molecular_Weight	460.9
216225	TPSA	110
45934498	Defined_Atom_Stereo_Count	1
644020	Exact_Mass	234.209598838
102447462	TPSA	110
54231313	Total_Formal_Charge	0
99451	Rotatable_Bond_Count	0
9190	Isotope_Atom_Count	0
186003	Mono_Isotopic_Weight	103.042199164
8773	Hydrogen_Bond_Acceptor_Count	9
20767638	Exact_Mass	113.058911855
830140	Exact_Mass	227.05171847
20839605	Defined_Bond_Stereo_Count	1
136394	Non-hydrogen_Atom_Count	9
96517	Structure_Complexity	436
49798415	Isotope_Atom_Count	0
23684677	Isotope_Atom_Count	0
16071605	Exact_Mass	409.14601278
140342802	Defined_Atom_Stereo_Count	0
84130	Rotatable_Bond_Count	6
14133354	Mono_Isotopic_Weight	98.036779430
101554	Rotatable_Bond_Count	1
24870942	Structure_Complexity	1220
17693	Defined_Atom_Stereo_Count	0
52598	XLogP3-AA	3.7
444440	Defined_Atom_Stereo_Count	9
129010061	Exact_Mass	560.27338086
236146	Undefined_Atom_Stereo_Count	1
123680261	TPSA	59.2
23080859	Hydrogen_Bond_Donor_Count	1
88534961	Defined_Atom_Stereo_Count	0
61916	Covalent_Unit_Count	1
121207282	Mono_Isotopic_Weight	111.032028402
9832136	Mono_Isotopic_Weight	777.410634
8641	Undefined_Atom_Stereo_Count	0
131709170	Hydrogen_Bond_Donor_Count	9
25422	TPSA	13.1
18386	Undefined_Atom_Stereo_Count	0
3033860	Hydrogen_Bond_Donor_Count	0
63104	Undefined_Bond_Stereo_Count	0
11520	Hydrogen_Bond_Donor_Count	1
70695760	Defined_Atom_Stereo_Count	0
53731118	Rotatable_Bond_Count	1
85864806	Undefined_Atom_Stereo_Count	2
3034024	Non-hydrogen_Atom_Count	21
150180981	Non-hydrogen_Atom_Count	8
25915	Exact_Mass	122.084398327
16217526	Defined_Atom_Stereo_Count	12
694041	Exact_Mass	294.10044231
75312	Rotatable_Bond_Count	12
11914	Tautomer_Count	1
124249128	Isotope_Atom_Count	0
19078026	Total_Formal_Charge	0
41505	Structure_Complexity	314
3871	TPSA	201
75358112	Undefined_Bond_Stereo_Count	0
71316127	Structure_Complexity	415
135612794	Tautomer_Count	17
2801745	Defined_Atom_Stereo_Count	0
15139	Defined_Atom_Stereo_Count	0
15590756	Mono_Isotopic_Weight	94.016712692
6918314	Non-hydrogen_Atom_Count	33
638079	Exact_Mass	110.109550447
31211	Molecular_Weight	194.23
7928	Isotope_Atom_Count	0
299728	Hydrogen_Bond_Acceptor_Count	0
4486	Tautomer_Count	9
13172504	XLogP3-AA	1.6
26009888	TPSA	64.1
688	Exact_Mass	308.04095237
54586288	XLogP3-AA	3.7
49864604	Rotatable_Bond_Count	6
71773445	TPSA	297
16134395	Defined_Atom_Stereo_Count	13
143817762	Defined_Bond_Stereo_Count	0
59067341	Defined_Atom_Stereo_Count	0
5287407	Non-hydrogen_Atom_Count	88
14794987	Structure_Complexity	54.9
22219016	TPSA	123
123178849	Undefined_Bond_Stereo_Count	0
44267026	Defined_Bond_Stereo_Count	0
4970	Rotatable_Bond_Count	0
137240373	Total_Formal_Charge	0
447407	Exact_Mass	228.11100700
22636790	XLogP3-AA	0
82452	Defined_Atom_Stereo_Count	0
7914	Structure_Complexity	33.4
82461	Defined_Bond_Stereo_Count	0
181978	Undefined_Bond_Stereo_Count	0
10878276	XLogP3-AA	4.6
3634	Total_Formal_Charge	0
9804991	Hydrogen_Bond_Acceptor_Count	6
25054	Defined_Bond_Stereo_Count	0
12594656	Hydrogen_Bond_Acceptor_Count	2
582	Undefined_Bond_Stereo_Count	0
132192027	Defined_Bond_Stereo_Count	0
74828	Molecular_Weight	136.62
67171867	Covalent_Unit_Count	1
213021	Defined_Bond_Stereo_Count	0
21617751	Exact_Mass	113.084063974
119036	Exact_Mass	139.136099547
9327	Hydrogen_Bond_Donor_Count	2
13356643	Total_Formal_Charge	0
17187	Rotatable_Bond_Count	24
5363858	Molecular_Weight	198.26
5287969	Hydrogen_Bond_Acceptor_Count	6
60303	Non-hydrogen_Atom_Count	25
13991585	Defined_Bond_Stereo_Count	1
133612499	Undefined_Atom_Stereo_Count	13
596336	Defined_Atom_Stereo_Count	0
13465027	Hydrogen_Bond_Acceptor_Count	2
4669250	Tautomer_Count	5
68260574	Total_Formal_Charge	0
772	Hydrogen_Bond_Donor_Count	15
46738768	TPSA	35.5
46861540	Mono_Isotopic_Weight	459.090805
135398655	Molecular_Weight	589.3
13639781	Exact_Mass	107.037113783
719704	Hydrogen_Bond_Acceptor_Count	3
458010	Hydrogen_Bond_Acceptor_Count	5
28495	Rotatable_Bond_Count	0
68547	TPSA	99.5
3826	Hydrogen_Bond_Acceptor_Count	3
145754	Hydrogen_Bond_Donor_Count	3
54335228	Defined_Atom_Stereo_Count	0
494937	Mono_Isotopic_Weight	345.08082906
24729360	Exact_Mass	358.1547017
62413	Tautomer_Count	1
54708299	Isotope_Atom_Count	0
696858	Hydrogen_Bond_Donor_Count	2
68198	Total_Formal_Charge	0
10257882	Molecular_Weight	592.8
6413	Covalent_Unit_Count	1
40898	Defined_Bond_Stereo_Count	0
74062	Defined_Atom_Stereo_Count	0
10206604	Mono_Isotopic_Weight	489.25873385
87518	Non-hydrogen_Atom_Count	12
34864	Isotope_Atom_Count	0
8462	Tautomer_Count	1
639095	Non-hydrogen_Atom_Count	7
5273469	Structure_Complexity	271
5064	Hydrogen_Bond_Acceptor_Count	7
6918486	Defined_Atom_Stereo_Count	12
908617	Covalent_Unit_Count	1
11332442	Undefined_Atom_Stereo_Count	0
208046	Non-hydrogen_Atom_Count	17
644066	TPSA	426
86573619	Covalent_Unit_Count	1
67248528	Undefined_Atom_Stereo_Count	1
134689013	TPSA	38.8
541384	Molecular_Weight	663.00
123678021	Hydrogen_Bond_Acceptor_Count	0
25077405	Mono_Isotopic_Weight	1321.63562577
44366214	TPSA	349
5329056	Undefined_Bond_Stereo_Count	0
9846339	Total_Formal_Charge	0
18360	Undefined_Bond_Stereo_Count	0
5362376	Hydrogen_Bond_Acceptor_Count	7
8406	Non-hydrogen_Atom_Count	11
11978451	Undefined_Atom_Stereo_Count	0
18541897	XLogP3-AA	0.8
4	Defined_Bond_Stereo_Count	0
11976122	Rotatable_Bond_Count	14
121599	Defined_Bond_Stereo_Count	0
83528703	Exact_Mass	110.084398327
3055172	XLogP3	3.8
4683067	Undefined_Bond_Stereo_Count	0
581866	Molecular_Weight	128.56
781234	Total_Formal_Charge	0
58560	Hydrogen_Bond_Acceptor_Count	3
5746387	Structure_Complexity	418
27402	Defined_Bond_Stereo_Count	0
11684817	Rotatable_Bond_Count	12
231285	Molecular_Weight	186.25
25142176	Hydrogen_Bond_Acceptor_Count	6
12229743	Covalent_Unit_Count	1
26442	Molecular_Weight	339.72
3973230	Defined_Bond_Stereo_Count	0
119082985	Exact_Mass	96.068748264
53350309	Exact_Mass	257.9996542
54020544	Rotatable_Bond_Count	3
13510025	Total_Formal_Charge	0
97994	XLogP3-AA	2.9
10045495	Molecular_Weight	383.4
58488970	Defined_Atom_Stereo_Count	0
28280	Undefined_Bond_Stereo_Count	0
566503	Undefined_Atom_Stereo_Count	0
30914	Exact_Mass	122.048012819
54675866	Mono_Isotopic_Weight	153.01878364
158729741	Hydrogen_Bond_Acceptor_Count	4
87485	Defined_Bond_Stereo_Count	0
15981386	Undefined_Atom_Stereo_Count	0
2655	XLogP3	0
4884	Covalent_Unit_Count	1
15096	Structure_Complexity	104
135596593	Defined_Atom_Stereo_Count	5
321054	Defined_Bond_Stereo_Count	0
80170	Undefined_Bond_Stereo_Count	0
11592	Covalent_Unit_Count	1
20823386	Covalent_Unit_Count	1
17913	Total_Formal_Charge	0
73351	Hydrogen_Bond_Donor_Count	4
7080	Isotope_Atom_Count	0
13619	Exact_Mass	195.924948
12256033	Covalent_Unit_Count	1
524214	Rotatable_Bond_Count	0
15690647	Undefined_Atom_Stereo_Count	0
52943302	Mono_Isotopic_Weight	399.13944780
397587	Molecular_Weight	443.9
22004078	TPSA	38.4
140990657	TPSA	44.5
14440271	Structure_Complexity	46.8
31593	Molecular_Weight	260.25
55290041	Hydrogen_Bond_Donor_Count	1
107971	Hydrogen_Bond_Donor_Count	5
85370	Rotatable_Bond_Count	3
121148	Defined_Atom_Stereo_Count	0
12771867	TPSA	29.5
263639	Covalent_Unit_Count	1
56962313	Undefined_Atom_Stereo_Count	0
12984095	TPSA	18.5
12285893	Molecular_Weight	181.16
23677989	Molecular_Weight	751.8
79998	Defined_Atom_Stereo_Count	0
9490	Defined_Bond_Stereo_Count	0
2363	Defined_Bond_Stereo_Count	0
11921	Rotatable_Bond_Count	1
12951370	Tautomer_Count	1
545230	Molecular_Weight	98.14
9690120	Covalent_Unit_Count	2
17755052	Non-hydrogen_Atom_Count	35
20791685	Hydrogen_Bond_Acceptor_Count	2
9446	Structure_Complexity	374
490	Rotatable_Bond_Count	2
68490	Covalent_Unit_Count	1
140732872	Defined_Bond_Stereo_Count	0
60196305	Rotatable_Bond_Count	4
6451155	Covalent_Unit_Count	1
642197	TPSA	0
17861	Undefined_Bond_Stereo_Count	0
219	Covalent_Unit_Count	1
7398	Isotope_Atom_Count	0
17856473	Defined_Atom_Stereo_Count	0
71306828	Non-hydrogen_Atom_Count	40
11789186	Exact_Mass	118.062994177
7253	XLogP3	1
80881	Total_Formal_Charge	0
16122612	Hydrogen_Bond_Donor_Count	1
135442966	Structure_Complexity	1840
69591	Molecular_Weight	144.17
16473	Hydrogen_Bond_Donor_Count	1
129711656	Non-hydrogen_Atom_Count	14
84921	Hydrogen_Bond_Acceptor_Count	2
90750	Undefined_Bond_Stereo_Count	0
15738546	Covalent_Unit_Count	1
45276	Tautomer_Count	3
162649852	Covalent_Unit_Count	1
22836366	TPSA	110
5311053	Total_Formal_Charge	0
84731066	Mono_Isotopic_Weight	118.062994177
440560	Rotatable_Bond_Count	5
14295	Rotatable_Bond_Count	2
2733	Molecular_Weight	169.56
131632429	Rotatable_Bond_Count	10
16726630	Defined_Atom_Stereo_Count	0
20587905	Molecular_Weight	59.82
4797	Hydrogen_Bond_Donor_Count	4
122517441	Structure_Complexity	295
116842112	Molecular_Weight	109.17
15504	Total_Formal_Charge	0
1292	Structure_Complexity	138
17782423	Exact_Mass	85.052763847
6426849	Exact_Mass	329.12969401
135005	Tautomer_Count	1
161166	Hydrogen_Bond_Donor_Count	3
163659	Tautomer_Count	700
118121642	Hydrogen_Bond_Donor_Count	0
6918336	Structure_Complexity	504
77195	Mono_Isotopic_Weight	100.088815002
54084075	Rotatable_Bond_Count	4
145068	Hydrogen_Bond_Donor_Count	0
10772947	Defined_Bond_Stereo_Count	0
53779803	Exact_Mass	86.073164938
12999933	Defined_Bond_Stereo_Count	0
72414954	Isotope_Atom_Count	0
5287792	Hydrogen_Bond_Acceptor_Count	3
16278	Isotope_Atom_Count	0
8870	Hydrogen_Bond_Acceptor_Count	1
60700	Exact_Mass	421.16377084
54077	Hydrogen_Bond_Acceptor_Count	5
71782	Defined_Bond_Stereo_Count	0
24066917	Structure_Complexity	198
9797657	XLogP3	3.5
22349965	Undefined_Atom_Stereo_Count	0
219608	Undefined_Bond_Stereo_Count	0
38883	Defined_Bond_Stereo_Count	0
6919173	Hydrogen_Bond_Donor_Count	3
172307	Hydrogen_Bond_Donor_Count	1
16666708	Structure_Complexity	596
5311346	Undefined_Atom_Stereo_Count	0
493949	Mono_Isotopic_Weight	201.98883880
31235	Total_Formal_Charge	0
12757499	Structure_Complexity	112
152943	Structure_Complexity	426
135410914	Isotope_Atom_Count	0
25670	Structure_Complexity	206
15560	Undefined_Atom_Stereo_Count	2
9984487	Defined_Atom_Stereo_Count	0
10972974	Undefined_Bond_Stereo_Count	0
5289382	Covalent_Unit_Count	1
5462501	Rotatable_Bond_Count	8
5253	XLogP3	0.2
180098	Hydrogen_Bond_Donor_Count	3
21516623	Hydrogen_Bond_Donor_Count	0
40463608	Structure_Complexity	102
15983552	Defined_Bond_Stereo_Count	0
52947147	Structure_Complexity	549
6437358	Covalent_Unit_Count	1
257	Defined_Atom_Stereo_Count	0
9948894	Mono_Isotopic_Weight	318.06742811
3355	Isotope_Atom_Count	0
83437	XLogP3	1.4
13203	Covalent_Unit_Count	1
75633	Mono_Isotopic_Weight	149.0243562
123525	Tautomer_Count	1
1946	Covalent_Unit_Count	1
297930	Non-hydrogen_Atom_Count	44
15260	Tautomer_Count	1
3157	Mono_Isotopic_Weight	451.18556891
9931156	XLogP3-AA	2.2
1341	Rotatable_Bond_Count	3
20521791	Rotatable_Bond_Count	1
162081	Total_Formal_Charge	0
73707513	Mono_Isotopic_Weight	768.48932838
59908032	Undefined_Bond_Stereo_Count	0
5086465	Molecular_Weight	91.11
4399042	Hydrogen_Bond_Acceptor_Count	2
11137427	Defined_Bond_Stereo_Count	0
2752588	Hydrogen_Bond_Donor_Count	1
87325	Defined_Bond_Stereo_Count	0
118585331	Defined_Bond_Stereo_Count	0
11113597	Defined_Atom_Stereo_Count	5
88212048	Defined_Bond_Stereo_Count	0
10442	Covalent_Unit_Count	1
5281426	Rotatable_Bond_Count	0
443955	Undefined_Bond_Stereo_Count	0
41287	Isotope_Atom_Count	0
5359541	Structure_Complexity	25.7
348253	Rotatable_Bond_Count	2
12626561	Total_Formal_Charge	0
6211	Defined_Bond_Stereo_Count	0
11957756	Defined_Bond_Stereo_Count	0
71356769	Rotatable_Bond_Count	2
99204	Hydrogen_Bond_Acceptor_Count	5
6438468	Undefined_Atom_Stereo_Count	3
607	Structure_Complexity	202
20662793	Rotatable_Bond_Count	0
89138978	Molecular_Weight	102.14
9743	Exact_Mass	112.032442941
15628	Undefined_Bond_Stereo_Count	0
53346577	Defined_Bond_Stereo_Count	0
90478690	Hydrogen_Bond_Donor_Count	10
16727404	Rotatable_Bond_Count	4
24977371	Rotatable_Bond_Count	2
92722	Defined_Atom_Stereo_Count	3
10848	Structure_Complexity	53
67519	Tautomer_Count	2
28281	Defined_Bond_Stereo_Count	0
3036507	Defined_Atom_Stereo_Count	12
6700	Tautomer_Count	5
23279533	Hydrogen_Bond_Acceptor_Count	3
53356659	TPSA	101
1597	Hydrogen_Bond_Donor_Count	1
111026	Undefined_Atom_Stereo_Count	1
72441	Covalent_Unit_Count	1
32484	Molecular_Weight	177.29
135410865	Hydrogen_Bond_Acceptor_Count	13
21226398	XLogP3-AA	1
123133871	Covalent_Unit_Count	1
12518095	Defined_Atom_Stereo_Count	0
3831985	Molecular_Weight	440.6
10325	Defined_Bond_Stereo_Count	0
5391	Structure_Complexity	434
134008	Mono_Isotopic_Weight	228.99796882
50905713	Undefined_Bond_Stereo_Count	0
13485	Defined_Atom_Stereo_Count	0
97665	Covalent_Unit_Count	1
56934415	TPSA	113
638034	Rotatable_Bond_Count	7
10883551	Mono_Isotopic_Weight	100.052429494
11956149	Exact_Mass	185.0607417
89105	Undefined_Bond_Stereo_Count	0
47953	Defined_Bond_Stereo_Count	0
58645437	Hydrogen_Bond_Donor_Count	0
9037	Hydrogen_Bond_Acceptor_Count	7
442632	Molecular_Weight	125.21
20681301	Non-hydrogen_Atom_Count	8
10704	TPSA	43.1
11527661	Rotatable_Bond_Count	7
105426928	Non-hydrogen_Atom_Count	7
89399997	Hydrogen_Bond_Acceptor_Count	1
736530	Hydrogen_Bond_Donor_Count	0
7136	Rotatable_Bond_Count	5
92943	Defined_Atom_Stereo_Count	1
215	Hydrogen_Bond_Donor_Count	1
325086	Mono_Isotopic_Weight	114.031694049
71675	Hydrogen_Bond_Acceptor_Count	1
4793	Mono_Isotopic_Weight	366.9868650
5353510	Non-hydrogen_Atom_Count	25
73917	Undefined_Bond_Stereo_Count	0
3078	Rotatable_Bond_Count	4
16822	TPSA	49.7
98181815	TPSA	57.2
98032	Hydrogen_Bond_Acceptor_Count	2
5353593	Non-hydrogen_Atom_Count	20
55342	Covalent_Unit_Count	1
52165	TPSA	74.8
64713	Undefined_Atom_Stereo_Count	1
10107393	Defined_Atom_Stereo_Count	0
73356	Hydrogen_Bond_Donor_Count	2
306049	Exact_Mass	222.0811428
23567801	Defined_Atom_Stereo_Count	0
16049769	Rotatable_Bond_Count	5
14563	Undefined_Atom_Stereo_Count	0
25750	TPSA	65.1
138971591	Exact_Mass	108.057514874
5284518	Mono_Isotopic_Weight	348.23727013
24066	Non-hydrogen_Atom_Count	15
17912	Tautomer_Count	3
24808	Structure_Complexity	8
571973	Exact_Mass	107.048347172
28064676	Defined_Bond_Stereo_Count	0
55250	Structure_Complexity	461
92938	Rotatable_Bond_Count	8
68700720	XLogP3-AA	0.4
8911	Total_Formal_Charge	0
23721821	Hydrogen_Bond_Donor_Count	4
36014	Mono_Isotopic_Weight	285.10921
5541	Isotope_Atom_Count	0
56876	Mono_Isotopic_Weight	228.0829543
71464685	Hydrogen_Bond_Donor_Count	6
11229	Defined_Bond_Stereo_Count	0
2578	Rotatable_Bond_Count	4
140052548	Non-hydrogen_Atom_Count	8
52348	Exact_Mass	196.193948774
146158182	TPSA	113
9988	XLogP3-AA	0.9
91256663	Structure_Complexity	147
398579	Total_Formal_Charge	0
573813	Total_Formal_Charge	0
39186	Mono_Isotopic_Weight	414.16132849
12152	XLogP3-AA	2.8
7697	Hydrogen_Bond_Donor_Count	2
91465	Molecular_Weight	388.7
37858	Isotope_Atom_Count	0
68216	Total_Formal_Charge	0
5748361	Molecular_Weight	366.4
431249	Exact_Mass	379.193614421
72494242	Covalent_Unit_Count	1
3690	Defined_Bond_Stereo_Count	0
21021478	Molecular_Weight	99.17
156620984	Rotatable_Bond_Count	7
4020	Isotope_Atom_Count	0
60794	Structure_Complexity	1470
135071	Defined_Bond_Stereo_Count	0
153772784	Molecular_Weight	112.09
21353681	Covalent_Unit_Count	1
459235	Exact_Mass	137.084063974
70141017	Molecular_Weight	109.17
28565	Rotatable_Bond_Count	2
53754520	Covalent_Unit_Count	1
1345	Total_Formal_Charge	0
56205	Covalent_Unit_Count	2
21983433	Defined_Atom_Stereo_Count	0
6917868	TPSA	125
16212969	Rotatable_Bond_Count	2
163659459	Defined_Atom_Stereo_Count	0
3277600	Non-hydrogen_Atom_Count	20
142123799	TPSA	32.3
495	Rotatable_Bond_Count	6
11147674	Hydrogen_Bond_Donor_Count	1
67246787	Structure_Complexity	652
4419	Covalent_Unit_Count	1
4060	XLogP3-AA	1.5
54682463	Undefined_Bond_Stereo_Count	0
4604180	Isotope_Atom_Count	0
53779803	Rotatable_Bond_Count	1
5758	TPSA	37.3
23521592	Exact_Mass	106.053098200
22967002	Hydrogen_Bond_Donor_Count	1
6437387	TPSA	60.7
65953	Hydrogen_Bond_Donor_Count	2
118984450	Mono_Isotopic_Weight	5803.6376502
89152969	Structure_Complexity	78.5
6602378	Defined_Bond_Stereo_Count	1
27058	Undefined_Bond_Stereo_Count	0
44246477	Mono_Isotopic_Weight	342.11621151
2808	Structure_Complexity	551
117715670	Total_Formal_Charge	0
57370084	Defined_Atom_Stereo_Count	5
23618458	Covalent_Unit_Count	3
54584797	Undefined_Atom_Stereo_Count	0
714937	Hydrogen_Bond_Donor_Count	1
56841596	Tautomer_Count	1000
53696	Isotope_Atom_Count	0
6693	Undefined_Atom_Stereo_Count	0
5311504	Undefined_Atom_Stereo_Count	0
24883432	Undefined_Bond_Stereo_Count	0
2817	Structure_Complexity	165
24424	Structure_Complexity	62.2
643731	Undefined_Atom_Stereo_Count	0
12777	TPSA	26.3
91667979	Covalent_Unit_Count	1
90753032	TPSA	190
120081	Mono_Isotopic_Weight	222.06405680
10972	Covalent_Unit_Count	1
22225791	Non-hydrogen_Atom_Count	8
8039	Exact_Mass	118.04907545
86979	XLogP3-AA	3.5
5365793	Hydrogen_Bond_Acceptor_Count	2
27447	XLogP3	0.6
54980	Tautomer_Count	2
37271	XLogP3-AA	0.9
91194554	Total_Formal_Charge	0
5378825	Hydrogen_Bond_Acceptor_Count	6
57572416	Hydrogen_Bond_Donor_Count	4
55652	Hydrogen_Bond_Donor_Count	0
40895	Isotope_Atom_Count	0
23624131	Exact_Mass	1217.5497032
2294	Covalent_Unit_Count	1
16129675	Exact_Mass	1351.44853874
67367781	Molecular_Weight	442.5
129794671	Undefined_Atom_Stereo_Count	0
69935742	TPSA	52
13728409	Molecular_Weight	620.7
129801083	Mono_Isotopic_Weight	82.053098200
16122612	Covalent_Unit_Count	1
137295283	Undefined_Atom_Stereo_Count	1
98032	Exact_Mass	238.099379685
12562238	Defined_Bond_Stereo_Count	0
6917857	Total_Formal_Charge	0
10307849	Undefined_Atom_Stereo_Count	0
5107	Isotope_Atom_Count	0
135457302	Rotatable_Bond_Count	2
821327	Isotope_Atom_Count	0
57298123	Undefined_Bond_Stereo_Count	1
135518082	Covalent_Unit_Count	1
84647706	Hydrogen_Bond_Acceptor_Count	2
16295	Hydrogen_Bond_Donor_Count	0
85252	Covalent_Unit_Count	1
20084	Total_Formal_Charge	0
57009	TPSA	58.6
9810709	Molecular_Weight	750.7
139291703	Covalent_Unit_Count	3
60199965	Rotatable_Bond_Count	6
1549065	Defined_Atom_Stereo_Count	0
5595	Mono_Isotopic_Weight	284.152477885
17497	Covalent_Unit_Count	1
445675	Tautomer_Count	6
15565266	Defined_Bond_Stereo_Count	0
11560224	Molecular_Weight	392.22
89611	Rotatable_Bond_Count	6
65404	Hydrogen_Bond_Donor_Count	4
71624685	Hydrogen_Bond_Donor_Count	1
121494073	Rotatable_Bond_Count	31
54561872	Molecular_Weight	95.14
117065485	Defined_Atom_Stereo_Count	4
135457302	Isotope_Atom_Count	0
4752	Undefined_Bond_Stereo_Count	0
558102	Total_Formal_Charge	0
49853967	Mono_Isotopic_Weight	392.08644947
5362449	Covalent_Unit_Count	1
478	Covalent_Unit_Count	1
6880	Mono_Isotopic_Weight	182.05790880
12741658	Non-hydrogen_Atom_Count	7
825353	Total_Formal_Charge	0
7022	Mono_Isotopic_Weight	239.02522894
222786	Hydrogen_Bond_Acceptor_Count	5
252163	Defined_Atom_Stereo_Count	0
11199915	Hydrogen_Bond_Donor_Count	2
54111851	Defined_Atom_Stereo_Count	0
91886115	Non-hydrogen_Atom_Count	25
51021	Defined_Bond_Stereo_Count	0
74574	Rotatable_Bond_Count	2
3843	Exact_Mass	495.17942091
186148	TPSA	9.2
509554	XLogP3-AA	4.7
59330719	Undefined_Atom_Stereo_Count	0
7503	Undefined_Bond_Stereo_Count	0
12300006	Total_Formal_Charge	0
83975	Exact_Mass	331.17835828
24956	Total_Formal_Charge	0
7799	Mono_Isotopic_Weight	172.146329876
70103	Mono_Isotopic_Weight	83.073499291
177	Exact_Mass	44.026214747
823887	Hydrogen_Bond_Acceptor_Count	2
11007841	Hydrogen_Bond_Acceptor_Count	2
6327514	Defined_Bond_Stereo_Count	0
17891	Structure_Complexity	225
3025721	XLogP3	2.8
14511	Defined_Bond_Stereo_Count	0
5702063	Structure_Complexity	228
68689	Defined_Atom_Stereo_Count	0
48000	Undefined_Atom_Stereo_Count	0
12331	Hydrogen_Bond_Donor_Count	1
135408964	Hydrogen_Bond_Donor_Count	1
18818	Hydrogen_Bond_Donor_Count	0
3082654	XLogP3-AA	3.5
19160	Non-hydrogen_Atom_Count	7
132472265	Structure_Complexity	1970
4447605	Non-hydrogen_Atom_Count	7
24949552	Hydrogen_Bond_Donor_Count	3
8626	TPSA	329
5280707	Covalent_Unit_Count	1
137295275	Exact_Mass	1029.60248569
90235	Exact_Mass	239.0461543
644241	Undefined_Atom_Stereo_Count	0
51102	Defined_Atom_Stereo_Count	0
43935	Total_Formal_Charge	0
4566	Non-hydrogen_Atom_Count	28
70339927	Molecular_Weight	84.12
154578334	Isotope_Atom_Count	0
90561	Tautomer_Count	7
102090390	Undefined_Bond_Stereo_Count	0
851045	Undefined_Bond_Stereo_Count	0
33498	TPSA	109
90813484	Total_Formal_Charge	0
8901	Defined_Atom_Stereo_Count	0
2734445	TPSA	46.5
153386900	Undefined_Atom_Stereo_Count	0
13078198	Defined_Atom_Stereo_Count	0
7663	Hydrogen_Bond_Acceptor_Count	2
135398501	Exact_Mass	551.24335857
151257062	Defined_Atom_Stereo_Count	0
12878836	Total_Formal_Charge	0
176505	Defined_Atom_Stereo_Count	0
704316	Undefined_Bond_Stereo_Count	1
9821569	Isotope_Atom_Count	0
9895	Covalent_Unit_Count	1
74266	Total_Formal_Charge	0
549253	Covalent_Unit_Count	1
44395035	XLogP3-AA	4.9
6377	Exact_Mass	57.057849228
351155	Undefined_Atom_Stereo_Count	0
945	Defined_Atom_Stereo_Count	0
24864718	Exact_Mass	487.1065616
17497	TPSA	0
451447	Exact_Mass	279.0734316
77442653	Structure_Complexity	86.2
63935844	Undefined_Bond_Stereo_Count	0
53403600	Undefined_Atom_Stereo_Count	0
196604	Defined_Bond_Stereo_Count	0
21942072	Hydrogen_Bond_Acceptor_Count	2
4460503	Mono_Isotopic_Weight	285.96058025
45142026	Hydrogen_Bond_Donor_Count	2
164069878	Defined_Bond_Stereo_Count	0
219091	Hydrogen_Bond_Donor_Count	2
456201	Hydrogen_Bond_Donor_Count	0
4713215	Rotatable_Bond_Count	0
69315	Exact_Mass	290.130679813
19385	Defined_Atom_Stereo_Count	0
69602	Defined_Atom_Stereo_Count	0
6433208	Covalent_Unit_Count	3
64247	Rotatable_Bond_Count	3
428	Covalent_Unit_Count	1
11077530	Hydrogen_Bond_Acceptor_Count	11
127053480	Isotope_Atom_Count	0
105125	Defined_Atom_Stereo_Count	0
21585056	Hydrogen_Bond_Acceptor_Count	2
30843	Covalent_Unit_Count	1
5442	Rotatable_Bond_Count	0
54025111	Defined_Bond_Stereo_Count	0
716312	Total_Formal_Charge	0
7566539	Isotope_Atom_Count	0
4239	Rotatable_Bond_Count	4
14781907	Undefined_Bond_Stereo_Count	0
21635253	XLogP3-AA	0.2
23204	Isotope_Atom_Count	0
3033972	Molecular_Weight	257.86
12632903	Structure_Complexity	67.3
10256668	Exact_Mass	536.438201786
38382	TPSA	26.3
135398671	Tautomer_Count	1001
1493	XLogP3	1.7
287064	Defined_Atom_Stereo_Count	0
137184495	Covalent_Unit_Count	1
12341793	Total_Formal_Charge	0
14307	Non-hydrogen_Atom_Count	11
15004699	Defined_Atom_Stereo_Count	0
101023318	Undefined_Bond_Stereo_Count	0
89921642	Hydrogen_Bond_Acceptor_Count	15
316890	Undefined_Atom_Stereo_Count	2
2779024	Isotope_Atom_Count	0
31284	XLogP3	6.8
2849	Hydrogen_Bond_Donor_Count	3
18728	Molecular_Weight	427.80
11167602	Rotatable_Bond_Count	5
7993	Defined_Bond_Stereo_Count	0
9454	TPSA	71.1
15295	Isotope_Atom_Count	0
54337282	Defined_Bond_Stereo_Count	0
2566	Defined_Atom_Stereo_Count	0
10887834	Undefined_Atom_Stereo_Count	0
20714804	TPSA	26.3
8123	Isotope_Atom_Count	0
6318	Total_Formal_Charge	0
24479	Defined_Bond_Stereo_Count	0
54392998	Undefined_Atom_Stereo_Count	1
9159	Exact_Mass	266.109550447
11505008	Molecular_Weight	557.7
20279764	Mono_Isotopic_Weight	112.125200510
16154490	Undefined_Bond_Stereo_Count	0
72200931	Exact_Mass	459.26813928
86	XLogP3	0.9
107994	Defined_Atom_Stereo_Count	3
136470	TPSA	0
4513	Undefined_Bond_Stereo_Count	1
517637	Defined_Bond_Stereo_Count	0
36588	Non-hydrogen_Atom_Count	10
57318251	Isotope_Atom_Count	0
61199	Defined_Bond_Stereo_Count	0
67060	Structure_Complexity	451
18974460	Defined_Bond_Stereo_Count	0
67184	Tautomer_Count	3
91256663	TPSA	9.2
6068	Structure_Complexity	307
5284385	TPSA	44.5
71371	TPSA	191
79798	Undefined_Atom_Stereo_Count	0
11908488	TPSA	190
21192814	Hydrogen_Bond_Acceptor_Count	4
2375	Defined_Atom_Stereo_Count	0
143337	Defined_Atom_Stereo_Count	0
67707	Isotope_Atom_Count	0
54586481	Undefined_Bond_Stereo_Count	0
8667	Hydrogen_Bond_Donor_Count	1
21023677	Defined_Atom_Stereo_Count	0
37144	Rotatable_Bond_Count	2
213840	Hydrogen_Bond_Donor_Count	0
10143006	Hydrogen_Bond_Acceptor_Count	11
75640	Isotope_Atom_Count	0
197861	Mono_Isotopic_Weight	195.162314293
2734920	Total_Formal_Charge	0
7491	Undefined_Atom_Stereo_Count	0
41017	Molecular_Weight	211.5
2723715	Defined_Atom_Stereo_Count	0
216295	Covalent_Unit_Count	1
11407412	Undefined_Bond_Stereo_Count	0
659840	Isotope_Atom_Count	0
3050428	Covalent_Unit_Count	1
12104	Isotope_Atom_Count	0
24180824	Molecular_Weight	160.60
2733515	Molecular_Weight	250.17
517637	Exact_Mass	284.10485899
79036	Isotope_Atom_Count	0
640308	Mono_Isotopic_Weight	95.037113783
439655	Rotatable_Bond_Count	3
17845026	Molecular_Weight	133.15
441397	Exact_Mass	465.15697138
8696	Covalent_Unit_Count	3
398495	Non-hydrogen_Atom_Count	22
10740	Structure_Complexity	160
101000161	Tautomer_Count	106
57864687	Undefined_Bond_Stereo_Count	0
14475	XLogP3	2.9
5483631	Non-hydrogen_Atom_Count	1
9797055	Defined_Bond_Stereo_Count	0
149697	Mono_Isotopic_Weight	373.14264148
13229	Isotope_Atom_Count	0
29124	Molecular_Weight	229.28
19958	Rotatable_Bond_Count	2
439255	Molecular_Weight	152.15
44603533	Hydrogen_Bond_Acceptor_Count	7
636750	Undefined_Atom_Stereo_Count	0
11677589	Non-hydrogen_Atom_Count	35
65871	Non-hydrogen_Atom_Count	26
2430	Tautomer_Count	1
6303	Undefined_Bond_Stereo_Count	0
110789	Exact_Mass	116.120115130
54808	Tautomer_Count	3
130025208	XLogP3-AA	1.5
11006	Defined_Bond_Stereo_Count	0
439282	Covalent_Unit_Count	1
85217	Hydrogen_Bond_Acceptor_Count	2
50990393	Non-hydrogen_Atom_Count	65
125468	Exact_Mass	100.052429494
86623588	Covalent_Unit_Count	2
10866290	Molecular_Weight	111.18
10307851	Hydrogen_Bond_Acceptor_Count	2
5362736	Molecular_Weight	236.39
68929	Total_Formal_Charge	0
616632	Non-hydrogen_Atom_Count	18
1597	Molecular_Weight	554.8
92855	Covalent_Unit_Count	1
1548885	Rotatable_Bond_Count	4
85999939	Defined_Atom_Stereo_Count	0
11261	Undefined_Bond_Stereo_Count	0
5424	Hydrogen_Bond_Acceptor_Count	6
101333850	Non-hydrogen_Atom_Count	10
29809	Mono_Isotopic_Weight	366.2186393
140152869	Hydrogen_Bond_Donor_Count	1
142796	Exact_Mass	68.026214747
32359	Exact_Mass	190.110613074
21680715	Defined_Atom_Stereo_Count	4
1474877	Structure_Complexity	336
7989	Hydrogen_Bond_Acceptor_Count	1
53238011	TPSA	80.9
21700	Hydrogen_Bond_Donor_Count	1
23663964	Isotope_Atom_Count	0
12313817	Total_Formal_Charge	0
11628328	Defined_Bond_Stereo_Count	0
77037484	Exact_Mass	117.078978594
3883	Covalent_Unit_Count	1
10476254	Total_Formal_Charge	0
20557721	Total_Formal_Charge	0
129737769	Defined_Bond_Stereo_Count	0
13551	Undefined_Bond_Stereo_Count	0
3082496	Hydrogen_Bond_Acceptor_Count	5
148191	XLogP3-AA	5.6
141268723	Hydrogen_Bond_Donor_Count	0
19380118	Undefined_Bond_Stereo_Count	0
37993	TPSA	70
60778	Rotatable_Bond_Count	7
57773	Structure_Complexity	264
662	Total_Formal_Charge	0
70377524	Molecular_Weight	280.29
46244454	Hydrogen_Bond_Acceptor_Count	6
76949	Covalent_Unit_Count	1
4436967	Non-hydrogen_Atom_Count	27
5359271	Undefined_Atom_Stereo_Count	0
4989215	Isotope_Atom_Count	0
13810450	Defined_Bond_Stereo_Count	0
11962267	Undefined_Bond_Stereo_Count	0
67627471	Defined_Bond_Stereo_Count	0
9809	Total_Formal_Charge	0
71481097	Covalent_Unit_Count	1
101008927	Undefined_Atom_Stereo_Count	1
439368	TPSA	46.5
23676755	Undefined_Bond_Stereo_Count	0
12452576	Molecular_Weight	85.12
72187525	Hydrogen_Bond_Donor_Count	0
4973027	Mono_Isotopic_Weight	291.1138399
3636092	Hydrogen_Bond_Acceptor_Count	3
12242916	Hydrogen_Bond_Acceptor_Count	0
17753912	Isotope_Atom_Count	0
2060890	Exact_Mass	342.0771200
8507	Covalent_Unit_Count	2
895	Molecular_Weight	244.33
398743	TPSA	9.7
11163	Undefined_Bond_Stereo_Count	0
2735078	Covalent_Unit_Count	1
28697	Tautomer_Count	1
71076901	Undefined_Atom_Stereo_Count	1
100962	Isotope_Atom_Count	0
131698425	Exact_Mass	184.08849508
6918013	Undefined_Bond_Stereo_Count	0
8681	Structure_Complexity	395
2572037	Covalent_Unit_Count	1
668508	Isotope_Atom_Count	0
6392641	Mono_Isotopic_Weight	824.368622
66775	Hydrogen_Bond_Acceptor_Count	0
81415113	Undefined_Bond_Stereo_Count	0
10942665	Hydrogen_Bond_Donor_Count	0
3664	Undefined_Bond_Stereo_Count	0
702015	Undefined_Bond_Stereo_Count	0
62817	Hydrogen_Bond_Acceptor_Count	2
8340	TPSA	41.8
93189	Mono_Isotopic_Weight	178.135765193
163285285	Non-hydrogen_Atom_Count	17
54760130	Undefined_Bond_Stereo_Count	0
4648	Rotatable_Bond_Count	10
10161305	XLogP3-AA	3.4
138148	Structure_Complexity	55.2
449223	Hydrogen_Bond_Donor_Count	4
444683	Mono_Isotopic_Weight	74.073164938
67739711	Exact_Mass	648.36755603
441278	Molecular_Weight	285.4
2733797	TPSA	115
4365	Mono_Isotopic_Weight	324.11437830
3086674	Isotope_Atom_Count	1
58364265	Covalent_Unit_Count	1
86671471	Structure_Complexity	40.7
234839	Isotope_Atom_Count	0
7534	Molecular_Weight	291.4
21075956	Total_Formal_Charge	0
13973341	Exact_Mass	115.099714038
13078198	Molecular_Weight	111.14
1249	Defined_Atom_Stereo_Count	0
305444	Covalent_Unit_Count	1
12882458	Covalent_Unit_Count	1
135594055	Molecular_Weight	341.8
7773	Covalent_Unit_Count	1
86278354	Isotope_Atom_Count	0
97991	Non-hydrogen_Atom_Count	13
6670	XLogP3-AA	1.8
7924	Molecular_Weight	102.09
3086576	Defined_Bond_Stereo_Count	0
12746998	Isotope_Atom_Count	0
21180574	Defined_Bond_Stereo_Count	0
138805	Undefined_Atom_Stereo_Count	2
45357394	Rotatable_Bond_Count	2
11818	Hydrogen_Bond_Acceptor_Count	4
8573	Defined_Atom_Stereo_Count	0
13760528	Defined_Atom_Stereo_Count	0
154578334	Hydrogen_Bond_Donor_Count	2
136212897	Total_Formal_Charge	0
101574147	Hydrogen_Bond_Acceptor_Count	7
81601	Covalent_Unit_Count	2
11652923	Molecular_Weight	335.4
129317940	Defined_Atom_Stereo_Count	1
413528	Isotope_Atom_Count	0
91089723	Total_Formal_Charge	0
48918	Undefined_Bond_Stereo_Count	0
139059144	XLogP3-AA	1.2
12820337	Defined_Atom_Stereo_Count	0
9785	Total_Formal_Charge	0
49087	Mono_Isotopic_Weight	353.2121570
16213711	Defined_Atom_Stereo_Count	0
74563	Covalent_Unit_Count	1
3036154	Non-hydrogen_Atom_Count	60
2724640	Structure_Complexity	136
169986	Exact_Mass	117.078978594
11214	Molecular_Weight	548.7
23668193	Mono_Isotopic_Weight	68.98267252
10949	Hydrogen_Bond_Donor_Count	2
25069561	Molecular_Weight	443.4
20605384	Mono_Isotopic_Weight	96.057514874
751826	Covalent_Unit_Count	1
15129466	Molecular_Weight	114.19
147614	Exact_Mass	130.110613074
19418150	Hydrogen_Bond_Acceptor_Count	0
13155261	Structure_Complexity	80.2
5284371	Hydrogen_Bond_Acceptor_Count	4
9905875	Defined_Atom_Stereo_Count	1
12504793	Structure_Complexity	64.6
57565875	Non-hydrogen_Atom_Count	7
89936880	Exact_Mass	527.23263824
46224600	Rotatable_Bond_Count	39
14133354	TPSA	21.8
135546482	Exact_Mass	253.085126602
71267	Mono_Isotopic_Weight	260.188863393
565005	Mono_Isotopic_Weight	94.078250319
12560918	Rotatable_Bond_Count	0
56828	Defined_Bond_Stereo_Count	0
16134627	Undefined_Atom_Stereo_Count	0
7517	Covalent_Unit_Count	1
60196301	Rotatable_Bond_Count	5
145458139	Exact_Mass	348.20088463
69957602	Undefined_Bond_Stereo_Count	0
23625795	Defined_Bond_Stereo_Count	0
69885	Covalent_Unit_Count	1
12383043	Undefined_Atom_Stereo_Count	0
5666	Covalent_Unit_Count	1
54283855	Defined_Bond_Stereo_Count	0
5751	Covalent_Unit_Count	1
158385	Mono_Isotopic_Weight	1148.43169
22836365	Total_Formal_Charge	0
66683198	Molecular_Weight	341.8
81971	Hydrogen_Bond_Donor_Count	0
25418	Rotatable_Bond_Count	1
15016062	Defined_Bond_Stereo_Count	0
65789	Structure_Complexity	645
7485	XLogP3	2
312145	Structure_Complexity	921
135465076	Non-hydrogen_Atom_Count	11
24812	Isotope_Atom_Count	0
135413518	Total_Formal_Charge	0
280245	Non-hydrogen_Atom_Count	18
58660916	Isotope_Atom_Count	0
4730	Isotope_Atom_Count	0
1504097	Non-hydrogen_Atom_Count	8
79418	Covalent_Unit_Count	1
6428	Non-hydrogen_Atom_Count	8
19810797	Undefined_Atom_Stereo_Count	1
75464	Mono_Isotopic_Weight	241.89419
7	Mono_Isotopic_Weight	163.08579531
529076	Hydrogen_Bond_Donor_Count	0
54236977	Hydrogen_Bond_Acceptor_Count	1
40361	Defined_Bond_Stereo_Count	0
62479	Structure_Complexity	289
23674496	Covalent_Unit_Count	2
1783	Hydrogen_Bond_Donor_Count	1
6437380	Undefined_Bond_Stereo_Count	0
54540949	Defined_Atom_Stereo_Count	0
64033	TPSA	59.4
14140758	Defined_Atom_Stereo_Count	0
22238533	Isotope_Atom_Count	0
28332	Total_Formal_Charge	0
45437	Total_Formal_Charge	0
84849	XLogP3-AA	3.4
101895952	Non-hydrogen_Atom_Count	34
11548000	Rotatable_Bond_Count	12
41331	Rotatable_Bond_Count	4
77662	Defined_Atom_Stereo_Count	0
6540	TPSA	72.4
19259	Molecular_Weight	205.25
90998196	Defined_Atom_Stereo_Count	0
487652	TPSA	119
13195837	Non-hydrogen_Atom_Count	39
158815	Defined_Bond_Stereo_Count	0
107901	Undefined_Atom_Stereo_Count	0
5284421	TPSA	26.3
6445786	Mono_Isotopic_Weight	326.0952687
521701	Covalent_Unit_Count	5
79043	TPSA	0
15561101	Hydrogen_Bond_Donor_Count	1
12478167	Rotatable_Bond_Count	2
16495	Hydrogen_Bond_Donor_Count	0
6441265	Tautomer_Count	1001
67955	Undefined_Bond_Stereo_Count	0
2995	Non-hydrogen_Atom_Count	20
70671195	Defined_Bond_Stereo_Count	0
5284350	Isotope_Atom_Count	0
2783176	XLogP3-AA	1.4
62788	Hydrogen_Bond_Donor_Count	4
11704625	Molecular_Weight	428.5
36188	Exact_Mass	325.880439
1569	Exact_Mass	148.99112921
34461	TPSA	67.6
6321424	Rotatable_Bond_Count	8
53565	Undefined_Bond_Stereo_Count	0
53320294	Total_Formal_Charge	0
75453	XLogP3-AA	3.8
14794988	Non-hydrogen_Atom_Count	8
54583964	XLogP3-AA	3.9
22833473	Isotope_Atom_Count	0
7153	Exact_Mass	214.0396719
135779804	Hydrogen_Bond_Acceptor_Count	5
132367	Hydrogen_Bond_Acceptor_Count	4
22866	Covalent_Unit_Count	3
261555	XLogP3-AA	9.5
14523552	Molecular_Weight	378.4
2265	XLogP3	0.1
5276520	Total_Formal_Charge	0
555949	Molecular_Weight	185.09
6331	Exact_Mass	14.0327803
68012	Defined_Atom_Stereo_Count	0
39198	Covalent_Unit_Count	1
131982921	Defined_Atom_Stereo_Count	0
171257	Undefined_Atom_Stereo_Count	0
95483	XLogP3-AA	1.2
17567	Total_Formal_Charge	0
43515	Tautomer_Count	12
17854756	Isotope_Atom_Count	0
13245713	Total_Formal_Charge	0
60750	Undefined_Atom_Stereo_Count	0
5459792	Rotatable_Bond_Count	1
4376	Covalent_Unit_Count	1
12545984	TPSA	21.3
681	Hydrogen_Bond_Donor_Count	3
5508	Undefined_Atom_Stereo_Count	0
10453870	Structure_Complexity	525
22525422	XLogP3	3.1
126968495	Structure_Complexity	1370
164886662	Isotope_Atom_Count	0
6669	Rotatable_Bond_Count	2
2243	Hydrogen_Bond_Acceptor_Count	15
148184	Hydrogen_Bond_Acceptor_Count	3
7312	Molecular_Weight	163.69
5250455	Total_Formal_Charge	0
5148108	Rotatable_Bond_Count	9
27323	Hydrogen_Bond_Acceptor_Count	2
22596859	Defined_Bond_Stereo_Count	0
10235	Isotope_Atom_Count	0
68116	Structure_Complexity	202
31772	Undefined_Atom_Stereo_Count	1
21945716	Hydrogen_Bond_Acceptor_Count	1
98954	Mono_Isotopic_Weight	156.115029749
1205040	Defined_Atom_Stereo_Count	0
78723	Rotatable_Bond_Count	3
27350	Undefined_Atom_Stereo_Count	0
5320128	Non-hydrogen_Atom_Count	16
135419182	Covalent_Unit_Count	1
88715	TPSA	73.5
19997	Defined_Atom_Stereo_Count	0
7530950	TPSA	26.3
5380876	Rotatable_Bond_Count	0
72494242	Non-hydrogen_Atom_Count	7
138404422	Total_Formal_Charge	0
32777	Defined_Atom_Stereo_Count	0
6602103	Total_Formal_Charge	0
4356	Defined_Atom_Stereo_Count	0
57131110	Structure_Complexity	179
21991095	Mono_Isotopic_Weight	111.079647300
12472552	Covalent_Unit_Count	1
130904	Hydrogen_Bond_Donor_Count	0
11351021	Undefined_Bond_Stereo_Count	0
59281	Isotope_Atom_Count	0
59350891	Undefined_Bond_Stereo_Count	0
1302	Non-hydrogen_Atom_Count	17
36185	Molecular_Weight	292.0
135406870	Rotatable_Bond_Count	0
19988	Isotope_Atom_Count	0
24408	Total_Formal_Charge	0
18119	Exact_Mass	389.283098129
11712649	Total_Formal_Charge	0
713378	Non-hydrogen_Atom_Count	18
83287	XLogP3-AA	3.6
129848584	Undefined_Atom_Stereo_Count	0
23170707	Isotope_Atom_Count	0
15584178	Defined_Atom_Stereo_Count	0
40443	Undefined_Atom_Stereo_Count	3
57399909	Non-hydrogen_Atom_Count	32
3224	Defined_Atom_Stereo_Count	0
226832	Defined_Atom_Stereo_Count	0
6223	Mono_Isotopic_Weight	326.03949928
71651624	Covalent_Unit_Count	1
15731	Defined_Bond_Stereo_Count	0
9030	Structure_Complexity	65.2
41583	Hydrogen_Bond_Acceptor_Count	4
38010	Mono_Isotopic_Weight	680.40703805
1265	TPSA	173
26470523	Exact_Mass	342.11621151
40187	Undefined_Atom_Stereo_Count	2
40218	Mono_Isotopic_Weight	293.19909372
66100	Hydrogen_Bond_Acceptor_Count	4
197341	Defined_Bond_Stereo_Count	0
5381214	Undefined_Bond_Stereo_Count	0
18795105	Covalent_Unit_Count	1
30020	Covalent_Unit_Count	1
25217563	TPSA	70.7
5478933	XLogP3-AA	2.2
129893562	Hydrogen_Bond_Donor_Count	11
60196353	XLogP3-AA	5.1
43883	Covalent_Unit_Count	3
76543883	Exact_Mass	194.0822054
7048707	Molecular_Weight	340.4
154689	Exact_Mass	285.19534575
60199634	TPSA	109
96160	Tautomer_Count	1
5037	Covalent_Unit_Count	1
127832	Total_Formal_Charge	0
71850	TPSA	0
1329	Covalent_Unit_Count	1
11513733	Molecular_Weight	82.06
145640699	Total_Formal_Charge	0
124809078	Defined_Bond_Stereo_Count	0
119904	XLogP3-AA	2.8
23678	Mono_Isotopic_Weight	395.88317
66550979	Rotatable_Bond_Count	7
15909	Defined_Atom_Stereo_Count	0
53262012	Covalent_Unit_Count	1
9822866	Exact_Mass	410.1761058
444455	Exact_Mass	463.19883619
63019	Hydrogen_Bond_Donor_Count	1
4158	Molecular_Weight	233.31
9952446	Rotatable_Bond_Count	7
3255344	Mono_Isotopic_Weight	354.255880323
55397	Structure_Complexity	243
12579408	Isotope_Atom_Count	0
9794197	Isotope_Atom_Count	0
78904	Non-hydrogen_Atom_Count	10
67773	Mono_Isotopic_Weight	132.01868458
6434217	Covalent_Unit_Count	1
156419	Structure_Complexity	422
3387	Isotope_Atom_Count	0
11400746	Hydrogen_Bond_Acceptor_Count	3
49862577	TPSA	57.8
3344	Molecular_Weight	260.33
35415	Rotatable_Bond_Count	3
86640	Total_Formal_Charge	0
9903	Hydrogen_Bond_Acceptor_Count	3
25167777	TPSA	115
5389	Rotatable_Bond_Count	8
124202844	Exact_Mass	479.09438454
91301203	Defined_Bond_Stereo_Count	0
53387504	Covalent_Unit_Count	1
23540330	TPSA	29.5
80076	Rotatable_Bond_Count	1
11241863	Total_Formal_Charge	0
71512	Undefined_Bond_Stereo_Count	0
64487	Total_Formal_Charge	0
213043	Undefined_Atom_Stereo_Count	1
23080867	Isotope_Atom_Count	0
16683012	Mono_Isotopic_Weight	906.92641
119182	Rotatable_Bond_Count	2
97638	Exact_Mass	152.083729621
12366	XLogP3-AA	7.8
32798	Rotatable_Bond_Count	5
34636	Molecular_Weight	442.4
10048103	Defined_Bond_Stereo_Count	0
521381	Molecular_Weight	360.4
12303048	Hydrogen_Bond_Acceptor_Count	16
71300746	Defined_Bond_Stereo_Count	0
4329331	XLogP3-AA	4.7
642661	Defined_Atom_Stereo_Count	0
16113206	Hydrogen_Bond_Donor_Count	1
129893947	Undefined_Bond_Stereo_Count	0
2733244	Covalent_Unit_Count	1
25126798	Rotatable_Bond_Count	4
149798	XLogP3-AA	1.1
53956290	Non-hydrogen_Atom_Count	27
98648	Rotatable_Bond_Count	1
135413504	TPSA	83.1
71560537	Non-hydrogen_Atom_Count	18
9561131	Non-hydrogen_Atom_Count	12
53824461	Covalent_Unit_Count	1
665387	Rotatable_Bond_Count	1
3037565	Non-hydrogen_Atom_Count	23
451447	Defined_Bond_Stereo_Count	0
994360	Total_Formal_Charge	0
22274879	Exact_Mass	112.03851076
26430	Exact_Mass	344.13809112
22857281	Isotope_Atom_Count	4
80782	Mono_Isotopic_Weight	171.0450916
30190	Defined_Atom_Stereo_Count	0
6435378	Non-hydrogen_Atom_Count	26
123895	Defined_Bond_Stereo_Count	0
24901144	Covalent_Unit_Count	1
458	Hydrogen_Bond_Donor_Count	2
104866516	TPSA	32.6
3991	Total_Formal_Charge	1
5329103	XLogP3-AA	3.2
66708587	Hydrogen_Bond_Acceptor_Count	3
46220502	Hydrogen_Bond_Donor_Count	1
213861	Isotope_Atom_Count	0
664419	Undefined_Atom_Stereo_Count	0
6010	Hydrogen_Bond_Acceptor_Count	2
11724027	Structure_Complexity	414
2764407	Defined_Atom_Stereo_Count	0
53032	Defined_Atom_Stereo_Count	3
7092	TPSA	26.3
13545127	TPSA	72.3
19220	TPSA	20.3
8069	Hydrogen_Bond_Acceptor_Count	2
23307900	Rotatable_Bond_Count	5
16733194	Undefined_Bond_Stereo_Count	0
6515535	TPSA	70.9
85626	Defined_Bond_Stereo_Count	0
101127008	TPSA	26.3
489181	Hydrogen_Bond_Acceptor_Count	6
135019886	Isotope_Atom_Count	0
52970	Hydrogen_Bond_Acceptor_Count	2
705715	Molecular_Weight	287.33
23305129	Exact_Mass	904.44565070
64303	Molecular_Weight	377.9
557579	Undefined_Bond_Stereo_Count	0
136393889	Isotope_Atom_Count	0
69677	TPSA	25.8
6992099	Undefined_Bond_Stereo_Count	0
5282193	Mono_Isotopic_Weight	1075.4193087
9952193	Covalent_Unit_Count	1
18779923	Mono_Isotopic_Weight	118.099379685
57043	Mono_Isotopic_Weight	470.29669976
119574	TPSA	67.6
24848321	Exact_Mass	289.227988553
4452	Hydrogen_Bond_Donor_Count	2
449284	Isotope_Atom_Count	0
13272656	Total_Formal_Charge	0
14435951	TPSA	29.1
68312	Total_Formal_Charge	0
16821	Rotatable_Bond_Count	7
20680013	Non-hydrogen_Atom_Count	8
117265442	Hydrogen_Bond_Donor_Count	1
15739356	Undefined_Atom_Stereo_Count	0
23675622	Tautomer_Count	12
3047786	Undefined_Bond_Stereo_Count	0
5280724	Defined_Bond_Stereo_Count	4
136582	Tautomer_Count	1
8562	XLogP3-AA	4.3
3611392	Rotatable_Bond_Count	6
135988	Defined_Atom_Stereo_Count	0
52414	Structure_Complexity	392
119095461	Non-hydrogen_Atom_Count	7
70686822	Covalent_Unit_Count	1
87323627	XLogP3-AA	0.2
9800339	Undefined_Atom_Stereo_Count	1
56633764	Defined_Bond_Stereo_Count	0
12951370	TPSA	29.5
21576	Structure_Complexity	232
316724	Undefined_Bond_Stereo_Count	0
12103	Structure_Complexity	83
7466	Rotatable_Bond_Count	1
86093867	Total_Formal_Charge	0
4323059	Molecular_Weight	138.14
70682213	XLogP3-AA	1.4
71587201	TPSA	285
59435876	Non-hydrogen_Atom_Count	10
14920523	Defined_Atom_Stereo_Count	0
59751	Isotope_Atom_Count	0
57346808	Hydrogen_Bond_Acceptor_Count	14
10028830	Undefined_Bond_Stereo_Count	0
9164	Mono_Isotopic_Weight	278.109550447
40692	Exact_Mass	378.11668211
567118	Molecular_Weight	99.09
5247	Isotope_Atom_Count	0
4451502	Tautomer_Count	3
4868	Hydrogen_Bond_Donor_Count	18
244	Structure_Complexity	55.4
59771	Undefined_Bond_Stereo_Count	0
84682	Defined_Bond_Stereo_Count	0
14791281	Non-hydrogen_Atom_Count	13
9821849	Total_Formal_Charge	0
312145	Undefined_Bond_Stereo_Count	0
100933147	Defined_Bond_Stereo_Count	0
444013	Exact_Mass	662.15468
3225	Hydrogen_Bond_Donor_Count	2
3036746	Total_Formal_Charge	0
68862	TPSA	52.6
4264	Undefined_Atom_Stereo_Count	8
3605	Undefined_Bond_Stereo_Count	0
81259	Undefined_Atom_Stereo_Count	0
52366	Exact_Mass	179.094628657
143399	XLogP3-AA	3
8008	Defined_Atom_Stereo_Count	0
19371857	Isotope_Atom_Count	0
317940	Undefined_Bond_Stereo_Count	0
7806	Hydrogen_Bond_Acceptor_Count	0
18636	Defined_Bond_Stereo_Count	0
56846509	Defined_Bond_Stereo_Count	0
11247	Rotatable_Bond_Count	0
19089767	Covalent_Unit_Count	1
9821383	Mono_Isotopic_Weight	383.20563565
142034647	Hydrogen_Bond_Acceptor_Count	2
6918457	Undefined_Atom_Stereo_Count	0
2955894	Molecular_Weight	407.5
246206	Defined_Atom_Stereo_Count	5
527511	Hydrogen_Bond_Acceptor_Count	0
57061642	Molecular_Weight	103.08
3033817	Hydrogen_Bond_Acceptor_Count	7
8033	Mono_Isotopic_Weight	146.130679813
135481969	TPSA	79.5
57541295	Molecular_Weight	391.5
5281520	Hydrogen_Bond_Donor_Count	0
18600	Exact_Mass	458.060754
5310993	Molecular_Weight	154.12
2593	Isotope_Atom_Count	0
16682804	Exact_Mass	410.032882
16850	Exact_Mass	332.06847348
70837	Hydrogen_Bond_Acceptor_Count	4
446600	Undefined_Bond_Stereo_Count	0
70881	Hydrogen_Bond_Acceptor_Count	3
65452	Total_Formal_Charge	0
43057	Hydrogen_Bond_Donor_Count	1
54697325	Total_Formal_Charge	0
721456	TPSA	67.4
32209	Structure_Complexity	392
154685136	Structure_Complexity	73
836	Hydrogen_Bond_Acceptor_Count	5
11332442	Hydrogen_Bond_Acceptor_Count	3
160312	Covalent_Unit_Count	1
15820874	Rotatable_Bond_Count	4
205708	Isotope_Atom_Count	0
135437285	Rotatable_Bond_Count	2
477698	Total_Formal_Charge	0
20475566	Defined_Atom_Stereo_Count	0
23668353	Structure_Complexity	262
23713799	Tautomer_Count	1
10034603	Undefined_Bond_Stereo_Count	0
53507	Non-hydrogen_Atom_Count	24
298107	Rotatable_Bond_Count	11
23552425	Defined_Atom_Stereo_Count	0
15671365	Undefined_Bond_Stereo_Count	0
604519	Undefined_Bond_Stereo_Count	0
2893	Defined_Atom_Stereo_Count	0
33657234	Isotope_Atom_Count	0
338690	Hydrogen_Bond_Donor_Count	2
11040	Rotatable_Bond_Count	2
6421834	Isotope_Atom_Count	0
12401	XLogP3	9.9
21884945	Non-hydrogen_Atom_Count	11
25203188	Hydrogen_Bond_Acceptor_Count	12
636822	Molecular_Weight	208.25
138059664	Molecular_Weight	1467.5
21996048	Structure_Complexity	88.4
5312122	XLogP3-AA	4.5
11671467	TPSA	187
20739	Undefined_Atom_Stereo_Count	0
5381	Tautomer_Count	1
5311264	Structure_Complexity	320
148837046	XLogP3-AA	0.3
9395	Undefined_Bond_Stereo_Count	0
3801	Defined_Bond_Stereo_Count	0
40476	Non-hydrogen_Atom_Count	19
11186829	XLogP3-AA	1.3
9841	Hydrogen_Bond_Donor_Count	0
45116684	Defined_Atom_Stereo_Count	0
490561	Isotope_Atom_Count	0
114129	Non-hydrogen_Atom_Count	10
6419888	Isotope_Atom_Count	0
635	Hydrogen_Bond_Donor_Count	4
68157	Structure_Complexity	50.9
7230	Hydrogen_Bond_Acceptor_Count	4
17909	Covalent_Unit_Count	1
8590	Total_Formal_Charge	0
22320095	Isotope_Atom_Count	0
687046	Undefined_Bond_Stereo_Count	0
3467	Structure_Complexity	636
342238	Covalent_Unit_Count	1
12867358	Covalent_Unit_Count	1
21778241	Undefined_Bond_Stereo_Count	0
14546	Defined_Atom_Stereo_Count	0
10243599	Hydrogen_Bond_Acceptor_Count	4
21460	Structure_Complexity	59.6
213145	Undefined_Atom_Stereo_Count	0
56977978	XLogP3-AA	0.3
124143	Total_Formal_Charge	0
23567810	Hydrogen_Bond_Donor_Count	0
21498	Undefined_Atom_Stereo_Count	0
40550	Covalent_Unit_Count	1
86856	Tautomer_Count	1
68030	Tautomer_Count	1
25868	Exact_Mass	89.084063974
14202705	Hydrogen_Bond_Acceptor_Count	1
14354	Undefined_Atom_Stereo_Count	0
13679040	Total_Formal_Charge	0
57254473	Defined_Atom_Stereo_Count	0
59791	Covalent_Unit_Count	1
11554	Hydrogen_Bond_Donor_Count	1
219020	Structure_Complexity	569
12517392	Covalent_Unit_Count	1
67937	Non-hydrogen_Atom_Count	5
52943333	Isotope_Atom_Count	0
131700865	Non-hydrogen_Atom_Count	37
1115	TPSA	190
16212480	Molecular_Weight	402.6
6847	Total_Formal_Charge	0
172285	Molecular_Weight	354.5
426	Defined_Bond_Stereo_Count	0
32346	Tautomer_Count	5
10217	Defined_Atom_Stereo_Count	0
9911830	Exact_Mass	454.1043974
135565106	Defined_Atom_Stereo_Count	0
135410914	Structure_Complexity	343
41718	Covalent_Unit_Count	1
46708292	Non-hydrogen_Atom_Count	20
63896	Hydrogen_Bond_Acceptor_Count	3
66823783	Exact_Mass	132.043596145
60196352	Structure_Complexity	235
6829	Molecular_Weight	199.20
10935908	Structure_Complexity	374
400769	TPSA	84.2
839580	Structure_Complexity	431
77781	Rotatable_Bond_Count	8
444037	Exact_Mass	836.52456972
12433	Total_Formal_Charge	0
87412180	Total_Formal_Charge	0
84979	Exact_Mass	126.90308
64232	Defined_Bond_Stereo_Count	0
11673921	Covalent_Unit_Count	1
88553883	Hydrogen_Bond_Donor_Count	0
18460542	Structure_Complexity	74.6
84975	Defined_Atom_Stereo_Count	0
630355	Isotope_Atom_Count	0
6398970	Molecular_Weight	395.4
2803172	Defined_Bond_Stereo_Count	0
54360	Molecular_Weight	418.4
24900751	Hydrogen_Bond_Donor_Count	5
10400	Structure_Complexity	76.4
131682	Hydrogen_Bond_Acceptor_Count	4
8598	Undefined_Atom_Stereo_Count	0
10997046	Tautomer_Count	1
695356	TPSA	51.5
11446304	Isotope_Atom_Count	0
961	Undefined_Atom_Stereo_Count	0
29691	Undefined_Atom_Stereo_Count	0
18795108	Rotatable_Bond_Count	2
9334	Undefined_Atom_Stereo_Count	0
13800357	Undefined_Bond_Stereo_Count	0
12244	Undefined_Bond_Stereo_Count	0
3082496	Non-hydrogen_Atom_Count	20
5501	Defined_Bond_Stereo_Count	0
20605239	Non-hydrogen_Atom_Count	6
20057076	Undefined_Atom_Stereo_Count	0
15565266	Hydrogen_Bond_Donor_Count	2
9718	Rotatable_Bond_Count	0
3681	Hydrogen_Bond_Donor_Count	2
83167	Structure_Complexity	299
12732837	Hydrogen_Bond_Acceptor_Count	1
102399	Undefined_Bond_Stereo_Count	0
90859735	Hydrogen_Bond_Donor_Count	0
25265910	Covalent_Unit_Count	1
157820065	Molecular_Weight	284.35
15122078	Non-hydrogen_Atom_Count	16
14325613	Defined_Bond_Stereo_Count	0
118855445	Non-hydrogen_Atom_Count	47
156614059	Hydrogen_Bond_Donor_Count	1
2406	Defined_Atom_Stereo_Count	0
8011	Undefined_Bond_Stereo_Count	0
9547919	Structure_Complexity	748
347475	Exact_Mass	115.099714038
13460	Defined_Bond_Stereo_Count	0
456161	Covalent_Unit_Count	1
10434211	Undefined_Atom_Stereo_Count	1
4659568	TPSA	130
20169	Undefined_Atom_Stereo_Count	0
143495144	Non-hydrogen_Atom_Count	8
33919	Structure_Complexity	414
10928	Total_Formal_Charge	0
10246085	Hydrogen_Bond_Donor_Count	0
7044038	Defined_Atom_Stereo_Count	5
950975	Isotope_Atom_Count	0
66615270	Isotope_Atom_Count	0
5352133	Tautomer_Count	3
228397	Defined_Bond_Stereo_Count	0
21596552	Covalent_Unit_Count	1
24139	Isotope_Atom_Count	0
855423	Hydrogen_Bond_Donor_Count	1
13379559	Defined_Atom_Stereo_Count	0
71624343	Undefined_Bond_Stereo_Count	0
67248272	Structure_Complexity	181
38035	Hydrogen_Bond_Acceptor_Count	0
98053103	Defined_Atom_Stereo_Count	3
73353803	Structure_Complexity	399
6106	Defined_Atom_Stereo_Count	1
66073187	Molecular_Weight	113.16
10328	Defined_Bond_Stereo_Count	0
9076	TPSA	35.2
136060671	Exact_Mass	181.121512110
136649	Hydrogen_Bond_Donor_Count	0
21721015	Rotatable_Bond_Count	0
3455	Defined_Atom_Stereo_Count	0
17894357	Rotatable_Bond_Count	3
54382	Rotatable_Bond_Count	5
54369	Covalent_Unit_Count	1
10553	Molecular_Weight	70.13
4560	Exact_Mass	375.98604
139062655	Covalent_Unit_Count	4
12550	Hydrogen_Bond_Acceptor_Count	9
6493	Mono_Isotopic_Weight	102.104465066
25014511	Undefined_Bond_Stereo_Count	0
54377545	Mono_Isotopic_Weight	99.068413911
90945276	Mono_Isotopic_Weight	344.17494466
442965	TPSA	6.5
163379880	Undefined_Bond_Stereo_Count	0
56678999	Defined_Atom_Stereo_Count	0
14257	Covalent_Unit_Count	1
57370827	Molecular_Weight	112.08
6064	Rotatable_Bond_Count	3
674917	Covalent_Unit_Count	1
44909	Covalent_Unit_Count	2
8058	Covalent_Unit_Count	1
54580	TPSA	106
9792	Tautomer_Count	15
57328385	Defined_Bond_Stereo_Count	0
67239	Hydrogen_Bond_Donor_Count	2
625	Rotatable_Bond_Count	8
67626	Defined_Bond_Stereo_Count	0
44480399	Undefined_Bond_Stereo_Count	0
643460	XLogP3	1.3
25185057	Mono_Isotopic_Weight	507.30184471
11601	Non-hydrogen_Atom_Count	6
138372	Hydrogen_Bond_Acceptor_Count	2
17787271	Covalent_Unit_Count	1
142807	Exact_Mass	197.120449483
208911	Total_Formal_Charge	0
76519	Hydrogen_Bond_Donor_Count	1
2680	Hydrogen_Bond_Donor_Count	2
625469	Mono_Isotopic_Weight	421.036590
19078026	Exact_Mass	99.068413911
15480320	Mono_Isotopic_Weight	257.99075
86439	TPSA	90.6
3878721	Defined_Bond_Stereo_Count	0
20341223	Mono_Isotopic_Weight	99.104799419
11702	Hydrogen_Bond_Donor_Count	1
72661	Total_Formal_Charge	0
6262774	Hydrogen_Bond_Acceptor_Count	0
15657909	Covalent_Unit_Count	1
12550422	Non-hydrogen_Atom_Count	8
125127451	Defined_Bond_Stereo_Count	5
67591	TPSA	44.8
22174896	Rotatable_Bond_Count	0
908617	Defined_Atom_Stereo_Count	1
59717617	Defined_Atom_Stereo_Count	0
51635	Total_Formal_Charge	0
69507	Undefined_Atom_Stereo_Count	0
10271	Isotope_Atom_Count	0
15560	Structure_Complexity	288
24946980	Molecular_Weight	419.6
60150185	Isotope_Atom_Count	0
17572266	Rotatable_Bond_Count	2
7093	Structure_Complexity	110
5461016	Undefined_Atom_Stereo_Count	0
11700696	Undefined_Bond_Stereo_Count	0
34696	Non-hydrogen_Atom_Count	8
9956324	Undefined_Atom_Stereo_Count	0
15830	Non-hydrogen_Atom_Count	10
122706529	Defined_Bond_Stereo_Count	0
55899	Mono_Isotopic_Weight	141.090211983
14104	Tautomer_Count	1
66247	Exact_Mass	433.12526
9865528	Hydrogen_Bond_Acceptor_Count	6
5318169	Tautomer_Count	6
151173	Molecular_Weight	213.19
650625	Hydrogen_Bond_Donor_Count	1
66755	Hydrogen_Bond_Donor_Count	1
15950376	Covalent_Unit_Count	1
166572	Total_Formal_Charge	0
60932	XLogP3-AA	4.6
363475	Undefined_Bond_Stereo_Count	0
5742832	Isotope_Atom_Count	0
27882	Tautomer_Count	1
44144454	Covalent_Unit_Count	4
85531465	Mono_Isotopic_Weight	86.036779430
146962972	Exact_Mass	97.089149355
9918460	Undefined_Bond_Stereo_Count	0
135921134	Structure_Complexity	1620
15257	Covalent_Unit_Count	1
23565355	Molecular_Weight	100.16
85880687	Hydrogen_Bond_Acceptor_Count	2
87518	Hydrogen_Bond_Acceptor_Count	2
154183660	Defined_Atom_Stereo_Count	0
85668777	XLogP3-AA	4
31343	Hydrogen_Bond_Acceptor_Count	5
139088080	Mono_Isotopic_Weight	343.02079
57157895	Isotope_Atom_Count	0
18303	Defined_Atom_Stereo_Count	0
763185	Total_Formal_Charge	0
19816560	Molecular_Weight	103.16
5310991	Mono_Isotopic_Weight	558.27298694
45479680	Defined_Atom_Stereo_Count	0
444474	Hydrogen_Bond_Acceptor_Count	4
28928	Hydrogen_Bond_Donor_Count	0
522390	Covalent_Unit_Count	1
2762908	Undefined_Atom_Stereo_Count	0
13306877	Molecular_Weight	116.16
2724372	Molecular_Weight	294.4
45116679	Undefined_Bond_Stereo_Count	0
313215	Structure_Complexity	74.1
5459973	Rotatable_Bond_Count	1
20526803	Hydrogen_Bond_Acceptor_Count	2
71307528	XLogP3-AA	4.2
102503853	Undefined_Atom_Stereo_Count	0
5729	XLogP3-AA	1.8
5556	Hydrogen_Bond_Donor_Count	0
5370664	XLogP3	1
18939579	Isotope_Atom_Count	0
12279	Tautomer_Count	1
165881712	Defined_Atom_Stereo_Count	0
117822	Defined_Bond_Stereo_Count	0
22571	Molecular_Weight	361.5
17683	Isotope_Atom_Count	0
18397995	Undefined_Atom_Stereo_Count	6
17392	Defined_Bond_Stereo_Count	0
3045402	Structure_Complexity	303
618542	Hydrogen_Bond_Donor_Count	1
70693584	TPSA	108
21822	Total_Formal_Charge	0
84878	Rotatable_Bond_Count	0
2916	Undefined_Bond_Stereo_Count	0
205708	Hydrogen_Bond_Donor_Count	2
446715	Undefined_Atom_Stereo_Count	0
6438028	Structure_Complexity	348
68681268	Rotatable_Bond_Count	7
71916	TPSA	78.8
14890212	Defined_Atom_Stereo_Count	0
5717801	Defined_Atom_Stereo_Count	0
7851	Total_Formal_Charge	0
6327514	Molecular_Weight	305.41
91745	Undefined_Atom_Stereo_Count	0
5748551	Exact_Mass	284.06847348
9924495	Defined_Atom_Stereo_Count	0
22719613	Defined_Atom_Stereo_Count	0
51417552	Exact_Mass	288.17254462
12599600	Covalent_Unit_Count	1
1013376	XLogP3-AA	4.4
118513932	XLogP3-AA	0.5
9908783	Molecular_Weight	397.4
179547	Isotope_Atom_Count	0
44570384	Non-hydrogen_Atom_Count	28
109014	Structure_Complexity	152
138813	Exact_Mass	96.057514874
704225	Undefined_Atom_Stereo_Count	0
8794	Structure_Complexity	114
123678021	Undefined_Atom_Stereo_Count	0
76223462	Hydrogen_Bond_Donor_Count	2
11578	Rotatable_Bond_Count	4
11051571	TPSA	20.2
122442248	Defined_Atom_Stereo_Count	0
13291788	Hydrogen_Bond_Donor_Count	0
12768403	Mono_Isotopic_Weight	117.078978594
667550	Defined_Atom_Stereo_Count	1
53346491	Total_Formal_Charge	0
24987688	Mono_Isotopic_Weight	805.29141642
9567537	TPSA	176
92210	Molecular_Weight	116.16
74245	Covalent_Unit_Count	1
4432690	Structure_Complexity	962
6436158	Rotatable_Bond_Count	14
8711	Defined_Atom_Stereo_Count	0
3058737	Non-hydrogen_Atom_Count	39
11666	Defined_Atom_Stereo_Count	0
23385063	Isotope_Atom_Count	0
76013	Undefined_Atom_Stereo_Count	0
133318	Hydrogen_Bond_Acceptor_Count	18
13492096	Rotatable_Bond_Count	1
76354	XLogP3-AA	1.1
398744	Undefined_Atom_Stereo_Count	0
102138	Structure_Complexity	2.8
16115747	Undefined_Atom_Stereo_Count	0
88532	Defined_Atom_Stereo_Count	2
5281227	Molecular_Weight	564.8
20096805	Mono_Isotopic_Weight	101.047678466
68604	XLogP3-AA	2.8
23685849	Hydrogen_Bond_Acceptor_Count	5
1549007	Hydrogen_Bond_Donor_Count	1
7331	Total_Formal_Charge	0
34586	Isotope_Atom_Count	0
542372	Covalent_Unit_Count	1
595230	Defined_Atom_Stereo_Count	0
54493752	XLogP3-AA	1.1
11520759	TPSA	220
148350	Undefined_Bond_Stereo_Count	0
139074754	Total_Formal_Charge	0
101946434	Isotope_Atom_Count	0
1785	Non-hydrogen_Atom_Count	28
57396607	Defined_Bond_Stereo_Count	0
9830	Mono_Isotopic_Weight	223.0011760
98040	Structure_Complexity	52
668081	Molecular_Weight	328.4
10232719	TPSA	47.1
23057994	Structure_Complexity	63.5
24848360	Hydrogen_Bond_Donor_Count	1
65793	Undefined_Bond_Stereo_Count	0
101796201	Isotope_Atom_Count	1
83478540	Structure_Complexity	98.7
11510932	Non-hydrogen_Atom_Count	31
28936	Molecular_Weight	428.1
90735699	Undefined_Atom_Stereo_Count	0
65063	Molecular_Weight	308.18
36245	TPSA	35.2
31005	TPSA	18.5
5062348	Undefined_Atom_Stereo_Count	0
117736498	Mono_Isotopic_Weight	106.041864811
54581630	Mono_Isotopic_Weight	254.05790880
154058	Covalent_Unit_Count	2
138860	XLogP3-AA	1.6
629095	Defined_Bond_Stereo_Count	0
11628328	Hydrogen_Bond_Donor_Count	2
332	Covalent_Unit_Count	1
67125	Molecular_Weight	282.34
291782	TPSA	23.5
101739878	Rotatable_Bond_Count	1
10444413	XLogP3	3.2
2640	Rotatable_Bond_Count	7
58189	Total_Formal_Charge	0
6440183	Non-hydrogen_Atom_Count	13
20200448	Defined_Bond_Stereo_Count	0
23079599	Total_Formal_Charge	0
71105	TPSA	71.4
11717001	Total_Formal_Charge	0
118984465	Molecular_Weight	749.9
969108	Total_Formal_Charge	0
150679	Molecular_Weight	270.25
55287187	Undefined_Atom_Stereo_Count	0
59072033	Undefined_Atom_Stereo_Count	1
57396625	Defined_Atom_Stereo_Count	0
3035440	Mono_Isotopic_Weight	308.16574516
5282280	Defined_Bond_Stereo_Count	4
13194811	Hydrogen_Bond_Donor_Count	0
62140646	Non-hydrogen_Atom_Count	8
135499879	Mono_Isotopic_Weight	405.14707541
22932	XLogP3	7.4
44455116	Molecular_Weight	377.4
43079	Defined_Atom_Stereo_Count	0
88483	Isotope_Atom_Count	0
17892701	Total_Formal_Charge	0
23083536	Defined_Bond_Stereo_Count	0
11375895	Molecular_Weight	523.8
6438895	Undefined_Atom_Stereo_Count	0
11124	Non-hydrogen_Atom_Count	6
44565779	Isotope_Atom_Count	0
12420192	Mono_Isotopic_Weight	111.068413911
25014844	Covalent_Unit_Count	1
22356182	Defined_Bond_Stereo_Count	0
37631	Rotatable_Bond_Count	0
8284	Defined_Bond_Stereo_Count	0
11137094	Undefined_Atom_Stereo_Count	0
76241	Isotope_Atom_Count	0
491830	Structure_Complexity	472
1133	Rotatable_Bond_Count	1
2813772	Rotatable_Bond_Count	3
62343	Exact_Mass	170.130679813
124600	Structure_Complexity	324
92114	Hydrogen_Bond_Donor_Count	0
135643052	Exact_Mass	224.07970687
91988	Non-hydrogen_Atom_Count	23
9868041	Undefined_Bond_Stereo_Count	0
130804992	Total_Formal_Charge	0
19966769	Covalent_Unit_Count	1
70678916	Undefined_Atom_Stereo_Count	0
10986185	Structure_Complexity	98.7
281917	Undefined_Bond_Stereo_Count	0
1487118	Mono_Isotopic_Weight	348.05800624
169682	Mono_Isotopic_Weight	200.06194880
133741	Defined_Bond_Stereo_Count	0
24462	Defined_Atom_Stereo_Count	0
19223	Hydrogen_Bond_Acceptor_Count	2
55958	Total_Formal_Charge	0
126969054	TPSA	60.7
6918572	Covalent_Unit_Count	1
134150175	Structure_Complexity	939
193965	Non-hydrogen_Atom_Count	9
196672	Isotope_Atom_Count	0
29385	Mono_Isotopic_Weight	102.128274515
12201383	Exact_Mass	107.048347172
15365	Molecular_Weight	297.6
7565	Covalent_Unit_Count	1
54557	Defined_Bond_Stereo_Count	0
45357796	Undefined_Atom_Stereo_Count	0
31226	Exact_Mass	178.099379685
141082	Rotatable_Bond_Count	3
371	Hydrogen_Bond_Acceptor_Count	4
68028	Undefined_Atom_Stereo_Count	0
2659	Undefined_Atom_Stereo_Count	2
5288679	Covalent_Unit_Count	1
6918218	Exact_Mass	397.08313774
18527351	Undefined_Bond_Stereo_Count	0
111727	Hydrogen_Bond_Acceptor_Count	3
19434657	Covalent_Unit_Count	1
74201	Mono_Isotopic_Weight	109.052763847
53322797	Structure_Complexity	650
86890	Undefined_Atom_Stereo_Count	0
56982924	Undefined_Bond_Stereo_Count	0
8215	XLogP3	9.6
9913088	Isotope_Atom_Count	0
105970	Structure_Complexity	393
9819350	XLogP3-AA	3.8
62441	Mono_Isotopic_Weight	349.28282334
2832	Non-hydrogen_Atom_Count	27
23757	Covalent_Unit_Count	1
10654193	Undefined_Atom_Stereo_Count	0
27503	Non-hydrogen_Atom_Count	36
11388294	Covalent_Unit_Count	1
640543	Covalent_Unit_Count	1
5288700	Mono_Isotopic_Weight	258.01406892
123417941	Undefined_Atom_Stereo_Count	0
154083	Rotatable_Bond_Count	2
3058503	Defined_Atom_Stereo_Count	2
54195578	XLogP3-AA	2.7
60195902	Mono_Isotopic_Weight	354.20557608
123165994	Total_Formal_Charge	0
5237030	Defined_Atom_Stereo_Count	0
85610	Rotatable_Bond_Count	1
211468	Isotope_Atom_Count	0
5289104	Non-hydrogen_Atom_Count	44
29675	Isotope_Atom_Count	0
20735704	Isotope_Atom_Count	0
25793	Exact_Mass	116.120115130
60006708	TPSA	21.6
452254	Total_Formal_Charge	0
32800	Mono_Isotopic_Weight	1142.35073945
60712	Hydrogen_Bond_Acceptor_Count	4
20056755	Hydrogen_Bond_Donor_Count	8
5149	Rotatable_Bond_Count	6
6437850	TPSA	26
54161810	Non-hydrogen_Atom_Count	7
1629	Molecular_Weight	217.12
28213	Undefined_Atom_Stereo_Count	0
102318232	Covalent_Unit_Count	1
11483754	Defined_Atom_Stereo_Count	4
6432517	Structure_Complexity	500
54537	Hydrogen_Bond_Acceptor_Count	4
403924	XLogP3-AA	4.2
87365092	Molecular_Weight	152.19
60196360	Mono_Isotopic_Weight	844.38573014
5289514	XLogP3-AA	4.2
14251035	Undefined_Bond_Stereo_Count	0
14041489	Total_Formal_Charge	0
34829729	XLogP3-AA	5.1
18728307	Non-hydrogen_Atom_Count	7
6031	Undefined_Bond_Stereo_Count	0
71360	XLogP3-AA	4.1
4656	Non-hydrogen_Atom_Count	15
11953895	Exact_Mass	297.948962
9573395	Isotope_Atom_Count	0
5460044	Defined_Bond_Stereo_Count	0
101598717	Defined_Bond_Stereo_Count	0
5163	Undefined_Atom_Stereo_Count	0
123336	Covalent_Unit_Count	1
67643801	XLogP3-AA	0.8
11234052	XLogP3-AA	3
10252	TPSA	66.4
13408391	XLogP3-AA	3.3
91216087	Defined_Atom_Stereo_Count	0
656911	Molecular_Weight	247.30
94706	Defined_Atom_Stereo_Count	0
24884773	Isotope_Atom_Count	0
70685697	Total_Formal_Charge	0
61044	Hydrogen_Bond_Donor_Count	0
160866	Structure_Complexity	107
29029	Hydrogen_Bond_Donor_Count	4
369373	Exact_Mass	348.25118886
11949285	Molecular_Weight	333.72
11009	Total_Formal_Charge	0
446286	Undefined_Atom_Stereo_Count	0
12523672	TPSA	26
2829715	Defined_Atom_Stereo_Count	0
84661	Rotatable_Bond_Count	2
153969622	Covalent_Unit_Count	1
18714263	Isotope_Atom_Count	0
5362115	Structure_Complexity	649
51933	Isotope_Atom_Count	0
123840004	Hydrogen_Bond_Acceptor_Count	0
6683	Hydrogen_Bond_Acceptor_Count	5
134694678	Isotope_Atom_Count	0
12302694	Non-hydrogen_Atom_Count	23
26310	TPSA	99.5
26250	Undefined_Atom_Stereo_Count	0
68019	Hydrogen_Bond_Donor_Count	0
38875	Undefined_Bond_Stereo_Count	0
56659	Total_Formal_Charge	0
1549045	Non-hydrogen_Atom_Count	13
52918380	Exact_Mass	764.14247802
12350	Total_Formal_Charge	0
11487	Undefined_Bond_Stereo_Count	0
443101	Non-hydrogen_Atom_Count	34
67956	Undefined_Bond_Stereo_Count	0
79476	Molecular_Weight	248.4
543047	Exact_Mass	114.068079557
97012113	Molecular_Weight	342.30
72049	Non-hydrogen_Atom_Count	35
20485906	Undefined_Bond_Stereo_Count	0
6861	Molecular_Weight	185.22
32495	Undefined_Bond_Stereo_Count	0
6777	Molecular_Weight	330.4
67818	Covalent_Unit_Count	1
60196418	Covalent_Unit_Count	1
82616	Non-hydrogen_Atom_Count	10
59983745	Hydrogen_Bond_Acceptor_Count	1
73604	Defined_Bond_Stereo_Count	0
29625	XLogP3-AA	2.3
315341	XLogP3-AA	0.9
117957810	Defined_Atom_Stereo_Count	0
745	Isotope_Atom_Count	0
54462496	Hydrogen_Bond_Acceptor_Count	2
3037582	Total_Formal_Charge	0
5059	XLogP3-AA	5.2
1548886	Structure_Complexity	611
54676038	Exact_Mass	336.06338810
3796816	Mono_Isotopic_Weight	110.036779430
16834	Total_Formal_Charge	0
126569786	Structure_Complexity	2330
681186	XLogP3-AA	4.4
177863	Undefined_Atom_Stereo_Count	0
43598	Defined_Bond_Stereo_Count	0
163594	Undefined_Bond_Stereo_Count	0
135565610	Isotope_Atom_Count	0
22238533	Molecular_Weight	99.13
4237	Covalent_Unit_Count	1
135544137	Exact_Mass	471.10349652
20798667	Structure_Complexity	48.1
15783596	Structure_Complexity	191
201136	Defined_Bond_Stereo_Count	0
88077632	Hydrogen_Bond_Acceptor_Count	1
6535	Undefined_Bond_Stereo_Count	0
12746	Rotatable_Bond_Count	0
12255141	Rotatable_Bond_Count	0
12984095	XLogP3-AA	0.8
71341351	Exact_Mass	194.094294304
25608	Isotope_Atom_Count	0
5365543	Mono_Isotopic_Weight	120.093900383
443369	Hydrogen_Bond_Acceptor_Count	9
43331	Defined_Atom_Stereo_Count	0
54680085	Hydrogen_Bond_Acceptor_Count	4
221145	Exact_Mass	100.052429494
53396299	Undefined_Atom_Stereo_Count	37
11953804	Hydrogen_Bond_Donor_Count	4
92132419	Undefined_Bond_Stereo_Count	0
7321	Undefined_Bond_Stereo_Count	0
57370827	Isotope_Atom_Count	0
70789197	Total_Formal_Charge	0
668620	Exact_Mass	310.13511374
5325830	XLogP3-AA	2.2
101513786	Mono_Isotopic_Weight	193.12745433
53477601	Rotatable_Bond_Count	12
238288	Defined_Atom_Stereo_Count	0
9861124	Hydrogen_Bond_Acceptor_Count	3
13616	Undefined_Bond_Stereo_Count	0
10815	Isotope_Atom_Count	0
154809629	Total_Formal_Charge	0
532	Hydrogen_Bond_Donor_Count	10
145068	Defined_Atom_Stereo_Count	0
6474320	Tautomer_Count	998
10284	Exact_Mass	145.052763847
5219	Isotope_Atom_Count	0
14759390	Mono_Isotopic_Weight	116.047344113
129846269	Molecular_Weight	368.3
194530	Undefined_Atom_Stereo_Count	0
41381	Hydrogen_Bond_Donor_Count	0
161122	Exact_Mass	137.035102407
3758	Rotatable_Bond_Count	2
58453	Hydrogen_Bond_Acceptor_Count	3
134551	Defined_Bond_Stereo_Count	0
6433	Tautomer_Count	1
13549438	Undefined_Bond_Stereo_Count	0
31877	Isotope_Atom_Count	0
188653	Undefined_Atom_Stereo_Count	3
123358	Structure_Complexity	208
61251	TPSA	38.3
5462	Rotatable_Bond_Count	7
145915578	Total_Formal_Charge	0
136183544	Hydrogen_Bond_Acceptor_Count	9
557772	TPSA	24.4
21354354	Exact_Mass	112.088815002
11966162	Hydrogen_Bond_Donor_Count	9
17613	Covalent_Unit_Count	1
694358	Non-hydrogen_Atom_Count	20
57357187	TPSA	86.7
197059	Defined_Atom_Stereo_Count	4
6249	Rotatable_Bond_Count	4
59221	Hydrogen_Bond_Acceptor_Count	1
25188420	Hydrogen_Bond_Donor_Count	2
44144429	Mono_Isotopic_Weight	559.12774
643918	Defined_Bond_Stereo_Count	1
627812	Hydrogen_Bond_Acceptor_Count	5
15983287	Undefined_Atom_Stereo_Count	1
76224067	Isotope_Atom_Count	0
171829	Undefined_Atom_Stereo_Count	0
4385	Defined_Bond_Stereo_Count	0
23423585	Hydrogen_Bond_Acceptor_Count	3
213056	Mono_Isotopic_Weight	185.06880783
22188	Rotatable_Bond_Count	1
12553931	TPSA	26.3
20979505	Hydrogen_Bond_Donor_Count	0
51017507	TPSA	279
10310632	Hydrogen_Bond_Acceptor_Count	5
11700696	Molecular_Weight	851.4
92974077	Total_Formal_Charge	0
9689	XLogP3-AA	2.8
7059472	Defined_Atom_Stereo_Count	3
283637	Molecular_Weight	110.15
39834	TPSA	57.6
78205	Hydrogen_Bond_Donor_Count	0
208922	Mono_Isotopic_Weight	292.193948774
566545	Tautomer_Count	1
5362124	Structure_Complexity	619
7287	Defined_Bond_Stereo_Count	0
2955894	XLogP3-AA	3.6
33606	Covalent_Unit_Count	1
9963056	Covalent_Unit_Count	3
1343	Covalent_Unit_Count	1
130904	Exact_Mass	475.27225866
25013898	Total_Formal_Charge	0
86200	Undefined_Bond_Stereo_Count	0
73351	Exact_Mass	278.96496419
46853632	Non-hydrogen_Atom_Count	34
424893	Structure_Complexity	751
1390	Structure_Complexity	44.8
24472	XLogP3-AA	0.6
226102	Hydrogen_Bond_Acceptor_Count	2
67631	Defined_Atom_Stereo_Count	0
688043	Total_Formal_Charge	0
21354354	Non-hydrogen_Atom_Count	8
136892	Defined_Atom_Stereo_Count	0
8022	Defined_Bond_Stereo_Count	0
11779028	Structure_Complexity	472
65084	Tautomer_Count	99
20531563	Isotope_Atom_Count	0
20441	Undefined_Atom_Stereo_Count	0
25203894	Undefined_Atom_Stereo_Count	0
135458645	Mono_Isotopic_Weight	846.44150881
8615	Structure_Complexity	261
12360	Undefined_Bond_Stereo_Count	0
452245	Defined_Bond_Stereo_Count	0
78106	Tautomer_Count	1
13758360	Defined_Atom_Stereo_Count	0
74077706	Isotope_Atom_Count	0
10186986	TPSA	105
5311501	Rotatable_Bond_Count	4
90087	Defined_Atom_Stereo_Count	0
12702016	Hydrogen_Bond_Acceptor_Count	1
543069	Total_Formal_Charge	0
9213	Undefined_Atom_Stereo_Count	0
7968	Rotatable_Bond_Count	0
24867465	Total_Formal_Charge	0
135332658	Total_Formal_Charge	0
9898814	Rotatable_Bond_Count	0
72941733	Covalent_Unit_Count	2
31295	Total_Formal_Charge	0
76478	Mono_Isotopic_Weight	206.13382109
15907	Hydrogen_Bond_Acceptor_Count	2
18397995	Molecular_Weight	645.6
6618	Covalent_Unit_Count	1
2356	Isotope_Atom_Count	0
56955068	Defined_Bond_Stereo_Count	0
125892	Undefined_Atom_Stereo_Count	5
101248703	Hydrogen_Bond_Donor_Count	3
75633	Rotatable_Bond_Count	2
75579	Hydrogen_Bond_Donor_Count	0
10454	Defined_Atom_Stereo_Count	0
36821	Hydrogen_Bond_Donor_Count	0
2736145	Hydrogen_Bond_Donor_Count	1
11229455	Structure_Complexity	101
71971	TPSA	41.5
24961094	TPSA	103
66257	Structure_Complexity	910
41558	Tautomer_Count	1
118318030	Isotope_Atom_Count	0
44119602	Molecular_Weight	108.10
705715	Undefined_Bond_Stereo_Count	0
5282363	TPSA	40.5
86063	Molecular_Weight	183.16
59907918	Molecular_Weight	342.30
182422	Molecular_Weight	230.3
91558991	Covalent_Unit_Count	1
70606126	Hydrogen_Bond_Acceptor_Count	3
84647702	Exact_Mass	114.042927438
440667	Undefined_Bond_Stereo_Count	0
42768	Molecular_Weight	520.6
14140758	Covalent_Unit_Count	1
7179	Defined_Atom_Stereo_Count	0
590908	Total_Formal_Charge	0
219625	Non-hydrogen_Atom_Count	8
449215	Non-hydrogen_Atom_Count	7
218089	XLogP3	4.9
41211	Molecular_Weight	347.22
2296	Mono_Isotopic_Weight	491.20563565
136115428	Structure_Complexity	99.8
125286694	Structure_Complexity	1370
6145	Isotope_Atom_Count	0
57537	Isotope_Atom_Count	0
15496999	Non-hydrogen_Atom_Count	7
21718305	Exact_Mass	113.084063974
7899	Undefined_Atom_Stereo_Count	0
54568416	Mono_Isotopic_Weight	113.084063974
75332	Defined_Atom_Stereo_Count	0
40344	TPSA	52.9
666673	Hydrogen_Bond_Donor_Count	0
24752885	Structure_Complexity	311
18338555	Mono_Isotopic_Weight	126.03506535
10405318	Undefined_Atom_Stereo_Count	0
72523	Molecular_Weight	253.5
77081	Total_Formal_Charge	0
104746	Tautomer_Count	2
59217416	TPSA	38.9
25273236	Undefined_Atom_Stereo_Count	0
10909485	Structure_Complexity	66.3
16547	Mono_Isotopic_Weight	210.05282342
73648	Rotatable_Bond_Count	6
55276371	Defined_Atom_Stereo_Count	0
59279784	Defined_Atom_Stereo_Count	0
19974934	Non-hydrogen_Atom_Count	8
54319	TPSA	83.1
72926	Isotope_Atom_Count	0
24750	Undefined_Atom_Stereo_Count	0
476	Defined_Atom_Stereo_Count	0
4476692	Total_Formal_Charge	0
117841973	TPSA	45.6
104818	Total_Formal_Charge	0
11326126	Undefined_Atom_Stereo_Count	0
78073889	Non-hydrogen_Atom_Count	88
67547	Defined_Atom_Stereo_Count	0
2763750	Undefined_Atom_Stereo_Count	0
11539725	Total_Formal_Charge	0
8280	Hydrogen_Bond_Acceptor_Count	3
5377410	Defined_Atom_Stereo_Count	0
12646624	Undefined_Bond_Stereo_Count	0
17276	Exact_Mass	275.0924357
11386	TPSA	0
5463057	Rotatable_Bond_Count	2
2899204	Molecular_Weight	357.24
10956	Rotatable_Bond_Count	2
59952	Undefined_Atom_Stereo_Count	0
7567598	Undefined_Bond_Stereo_Count	0
105427064	Defined_Bond_Stereo_Count	0
138527	Molecular_Weight	278.4
69245	Rotatable_Bond_Count	0
13087266	Structure_Complexity	64.6
2320	Undefined_Bond_Stereo_Count	1
3996620	Molecular_Weight	231.23
7684	Undefined_Atom_Stereo_Count	0
25002426	Molecular_Weight	433.4
73801102	TPSA	46.2
77213	Molecular_Weight	155.11
12561666	Structure_Complexity	94.4
71317097	Hydrogen_Bond_Donor_Count	5
39874	Defined_Bond_Stereo_Count	0
17778639	Molecular_Weight	84.12
107870	TPSA	112
297888	TPSA	54.4
11633904	Exact_Mass	456.21614077
53477778	Mono_Isotopic_Weight	518.18602241
22202	Non-hydrogen_Atom_Count	10
1046	Mono_Isotopic_Weight	123.043261792
86857	Rotatable_Bond_Count	4
49869041	Defined_Atom_Stereo_Count	0
3804841	Undefined_Bond_Stereo_Count	0
9818231	Undefined_Atom_Stereo_Count	2
446563	Mono_Isotopic_Weight	268.313001276
10460376	Exact_Mass	557.17737004
131535	Defined_Atom_Stereo_Count	3
11933	Defined_Atom_Stereo_Count	0
42614	Non-hydrogen_Atom_Count	14
128564	Tautomer_Count	16
77077	Defined_Atom_Stereo_Count	0
27744	Molecular_Weight	451.9
155113	Total_Formal_Charge	0
57568	XLogP3-AA	2.1
146463800	Rotatable_Bond_Count	1
71584056	Defined_Atom_Stereo_Count	0
13758360	Exact_Mass	112.100048391
52348	Defined_Bond_Stereo_Count	0
58902739	Isotope_Atom_Count	0
398663	Hydrogen_Bond_Acceptor_Count	3
96191	Isotope_Atom_Count	0
63656079	Undefined_Bond_Stereo_Count	0
25067411	Isotope_Atom_Count	1
23667300	Undefined_Bond_Stereo_Count	0
21107383	Total_Formal_Charge	0
6399253	Hydrogen_Bond_Acceptor_Count	10
13388558	Molecular_Weight	310.27
283	XLogP3-AA	0.5
118210121	Defined_Bond_Stereo_Count	0
3393610	Undefined_Bond_Stereo_Count	0
5290	XLogP3-AA	2.6
60063	Isotope_Atom_Count	0
44563	TPSA	243
74080	TPSA	47.6
21415595	Covalent_Unit_Count	1
65918814	Isotope_Atom_Count	0
127394	Structure_Complexity	389
888374	Mono_Isotopic_Weight	209.141578849
19784171	TPSA	29.1
23675453	Structure_Complexity	368
16667503	Exact_Mass	892.5353131
136253316	Defined_Bond_Stereo_Count	0
151449	Rotatable_Bond_Count	0
5057599	Exact_Mass	629.06750493
53884785	Rotatable_Bond_Count	2
24478	Exact_Mass	113.94453627
843190	Mono_Isotopic_Weight	333.09358328
24642	Exact_Mass	239.94328
40273	XLogP3	3.4
26089	Mono_Isotopic_Weight	179.849305
73005	Undefined_Atom_Stereo_Count	1
129867899	Defined_Bond_Stereo_Count	1
140905	Defined_Atom_Stereo_Count	0
45051637	Isotope_Atom_Count	0
40469421	Hydrogen_Bond_Donor_Count	2
44531955	Non-hydrogen_Atom_Count	42
65630	Covalent_Unit_Count	1
119032	Rotatable_Bond_Count	7
24867465	Molecular_Weight	341.83
3016390	Tautomer_Count	1
156618073	Exact_Mass	342.11621151
193720	Covalent_Unit_Count	1
21655019	Undefined_Bond_Stereo_Count	0
40467042	TPSA	89.5
12865495	XLogP3-AA	0.3
101926676	Covalent_Unit_Count	1
55855	Defined_Atom_Stereo_Count	3
126997316	Hydrogen_Bond_Acceptor_Count	2
124894599	Undefined_Bond_Stereo_Count	0
89646	Isotope_Atom_Count	0
42608371	Mono_Isotopic_Weight	287.24604391
11625340	Defined_Atom_Stereo_Count	0
3083546	Exact_Mass	408.0499972
27918	Hydrogen_Bond_Acceptor_Count	3
11094587	Hydrogen_Bond_Acceptor_Count	3
114	Covalent_Unit_Count	1
9414	Covalent_Unit_Count	1
1422	Hydrogen_Bond_Acceptor_Count	5
71541174	Mono_Isotopic_Weight	327.12054692
11432307	Hydrogen_Bond_Donor_Count	1
90735699	Mono_Isotopic_Weight	111.068413911
75819	Total_Formal_Charge	0
14812	Exact_Mass	283.84419418
22369295	Molecular_Weight	114.17
83967	Exact_Mass	312.07799279
44190553	Structure_Complexity	341
6133	Hydrogen_Bond_Acceptor_Count	15
70476156	Hydrogen_Bond_Donor_Count	3
6450232	Isotope_Atom_Count	0
11988286	Covalent_Unit_Count	1
12563868	Rotatable_Bond_Count	2
3763454	Undefined_Bond_Stereo_Count	0
84976	Hydrogen_Bond_Donor_Count	4
458821	Hydrogen_Bond_Donor_Count	4
55286835	Defined_Atom_Stereo_Count	0
224243	Hydrogen_Bond_Donor_Count	0
21302490	XLogP3-AA	3.8
4619	Defined_Atom_Stereo_Count	0
56149	Non-hydrogen_Atom_Count	15
90579	XLogP3	1.5
444104	Rotatable_Bond_Count	10
16212959	Defined_Bond_Stereo_Count	0
104763	Mono_Isotopic_Weight	220.182715385
11601544	Structure_Complexity	367
49862577	Undefined_Atom_Stereo_Count	1
10909482	Rotatable_Bond_Count	1
6273	Defined_Bond_Stereo_Count	0
12306686	Non-hydrogen_Atom_Count	28
5205	TPSA	3.2
67950444	Defined_Atom_Stereo_Count	2
5618	Exact_Mass	350.24570956
23665730	Undefined_Bond_Stereo_Count	0
10931394	Rotatable_Bond_Count	1
830033	Exact_Mass	337.17500423
23540330	Undefined_Bond_Stereo_Count	0
84	Structure_Complexity	1610
656846	TPSA	232
26576	TPSA	50.8
830	Mono_Isotopic_Weight	173.04365571
560193	Undefined_Bond_Stereo_Count	0
566032	Rotatable_Bond_Count	0
44422352	Defined_Bond_Stereo_Count	0
25195294	Total_Formal_Charge	0
687906	TPSA	69.6
10901524	Non-hydrogen_Atom_Count	18
89342	Total_Formal_Charge	0
875202	Non-hydrogen_Atom_Count	16
11611402	Undefined_Atom_Stereo_Count	1
3305	Tautomer_Count	1
192630	Undefined_Bond_Stereo_Count	0
535	Undefined_Atom_Stereo_Count	0
5284429	Undefined_Atom_Stereo_Count	0
27934	Defined_Bond_Stereo_Count	0
3032854	Defined_Bond_Stereo_Count	0
584807	XLogP3-AA	3.5
12203051	Defined_Bond_Stereo_Count	0
117736505	XLogP3-AA	1.6
64168	Exact_Mass	285.1244046
128815	Hydrogen_Bond_Acceptor_Count	8
10126299	Hydrogen_Bond_Donor_Count	3
100165	Non-hydrogen_Atom_Count	7
90806279	Undefined_Bond_Stereo_Count	1
4952	Total_Formal_Charge	0
56678999	Hydrogen_Bond_Donor_Count	1
24978514	Isotope_Atom_Count	0
117217480	Isotope_Atom_Count	0
12259684	Structure_Complexity	506
34875	Defined_Bond_Stereo_Count	0
439201	Rotatable_Bond_Count	27
76964236	Exact_Mass	628.13394
7647	Covalent_Unit_Count	1
53667577	Defined_Atom_Stereo_Count	0
11442891	Hydrogen_Bond_Donor_Count	2
102090452	Undefined_Bond_Stereo_Count	0
139502	Hydrogen_Bond_Donor_Count	0
32439	Defined_Atom_Stereo_Count	0
446257	Defined_Atom_Stereo_Count	0
6433334	Exact_Mass	434.08412
62651	Rotatable_Bond_Count	0
11383075	Exact_Mass	369.12888312
135424747	Isotope_Atom_Count	0
6672	XLogP3	3
3032600	Molecular_Weight	425.9
101731271	Molecular_Weight	97.16
91450840	Undefined_Atom_Stereo_Count	1
55300496	Covalent_Unit_Count	1
6536825	Non-hydrogen_Atom_Count	13
448580	Total_Formal_Charge	0
139595131	Structure_Complexity	756
11675388	Structure_Complexity	518
10080320	TPSA	72.1
74950937	Covalent_Unit_Count	1
33112	Undefined_Bond_Stereo_Count	0
24752885	Defined_Bond_Stereo_Count	0
162990684	Molecular_Weight	665.7
3608	Defined_Bond_Stereo_Count	0
7349	Rotatable_Bond_Count	18
79998	Molecular_Weight	292.5
90997437	Covalent_Unit_Count	1
14029615	Exact_Mass	168.151415257
104883	TPSA	0
7721	Molecular_Weight	185.06
135412795	Defined_Bond_Stereo_Count	0
440277	Rotatable_Bond_Count	8
3309	Total_Formal_Charge	0
54695720	TPSA	214
53313171	Hydrogen_Bond_Donor_Count	1
8691	Isotope_Atom_Count	0
148089453	Covalent_Unit_Count	1
13212923	Mono_Isotopic_Weight	99.104799419
102242	Molecular_Weight	300.4
139061453	TPSA	103
37864	TPSA	29.5
520548	TPSA	15.3
34665	Isotope_Atom_Count	0
101821020	Covalent_Unit_Count	2
21896570	Hydrogen_Bond_Acceptor_Count	2
11447	XLogP3-AA	4
5009	Defined_Atom_Stereo_Count	0
90658992	Mono_Isotopic_Weight	260.05352843
21016055	Rotatable_Bond_Count	0
57174138	XLogP3-AA	0.2
24900749	Defined_Atom_Stereo_Count	1
4224596	Defined_Bond_Stereo_Count	0
163199229	Total_Formal_Charge	0
91143491	Structure_Complexity	97.1
71629	Defined_Atom_Stereo_Count	0
66620431	Structure_Complexity	246
90102662	Non-hydrogen_Atom_Count	8
100413	Molecular_Weight	209.63
18928374	TPSA	46
39187	Isotope_Atom_Count	0
25010737	Molecular_Weight	631.8
78394	Hydrogen_Bond_Donor_Count	0
156186164	Hydrogen_Bond_Acceptor_Count	2
12228201	Non-hydrogen_Atom_Count	6
57156265	Defined_Bond_Stereo_Count	0
135	Rotatable_Bond_Count	1
13483371	Hydrogen_Bond_Donor_Count	1
630348	Mono_Isotopic_Weight	330.98441
101445	Undefined_Atom_Stereo_Count	0
44207128	Hydrogen_Bond_Donor_Count	0
86173	Hydrogen_Bond_Donor_Count	0
3081420	Exact_Mass	186.013186
86296	Hydrogen_Bond_Donor_Count	1
814470	Hydrogen_Bond_Acceptor_Count	5
33134	Isotope_Atom_Count	0
129797457	Molecular_Weight	96.13
5281793	Mono_Isotopic_Weight	494.12129689
70111	Defined_Atom_Stereo_Count	0
57258462	Structure_Complexity	86
2220	Defined_Bond_Stereo_Count	0
544380	Non-hydrogen_Atom_Count	10
5459910	Covalent_Unit_Count	1
59107469	Total_Formal_Charge	0
16768425	Hydrogen_Bond_Donor_Count	1
21411178	Hydrogen_Bond_Acceptor_Count	4
12699282	TPSA	9.2
5369129	Undefined_Bond_Stereo_Count	0
101731271	Exact_Mass	97.089149355
445858	Hydrogen_Bond_Acceptor_Count	4
5156	Undefined_Bond_Stereo_Count	0
67299	Structure_Complexity	108
594028	Undefined_Bond_Stereo_Count	0
9458	Total_Formal_Charge	0
657180	Exact_Mass	1268.66659154
71963842	Rotatable_Bond_Count	15
11196237	Tautomer_Count	1
18015	Covalent_Unit_Count	1
447877	Total_Formal_Charge	0
40466862	TPSA	163
17865372	Isotope_Atom_Count	0
10820486	Structure_Complexity	177
134860471	Isotope_Atom_Count	0
132647840	Undefined_Bond_Stereo_Count	0
7861	Undefined_Bond_Stereo_Count	0
11416654	TPSA	125
20337519	Mono_Isotopic_Weight	86.084398327
68103	Rotatable_Bond_Count	0
5311092	Rotatable_Bond_Count	6
39272	Undefined_Bond_Stereo_Count	0
17113	Covalent_Unit_Count	1
5297	Molecular_Weight	581.6
149127983	Molecular_Weight	100.16
153308419	Rotatable_Bond_Count	3
2734996	Total_Formal_Charge	0
50313	TPSA	99.1
2752647	Exact_Mass	96.057514874
8816	Hydrogen_Bond_Donor_Count	0
20165534	Rotatable_Bond_Count	0
124701961	Hydrogen_Bond_Acceptor_Count	1
1549080	Undefined_Atom_Stereo_Count	0
18414702	XLogP3-AA	0.3
60575	Undefined_Bond_Stereo_Count	0
827	TPSA	101
57484	Molecular_Weight	415.5
19816653	Undefined_Atom_Stereo_Count	1
5378303	TPSA	137
17149	Molecular_Weight	98.19
6140	Non-hydrogen_Atom_Count	12
24181110	Rotatable_Bond_Count	0
21685	Exact_Mass	206.167065321
2762921	Total_Formal_Charge	0
11469158	TPSA	35.5
7530	Undefined_Bond_Stereo_Count	0
70685868	Molecular_Weight	478.5
16318	Non-hydrogen_Atom_Count	22
12315159	Molecular_Weight	152.23
65708	Non-hydrogen_Atom_Count	14
137643	Undefined_Atom_Stereo_Count	0
72665	Undefined_Bond_Stereo_Count	0
79048	XLogP3-AA	1.1
31238	Defined_Bond_Stereo_Count	0
60196431	Total_Formal_Charge	0
518818	Non-hydrogen_Atom_Count	8
129307545	Total_Formal_Charge	0
2578	Undefined_Bond_Stereo_Count	0
118797610	Rotatable_Bond_Count	1
24776154	Defined_Atom_Stereo_Count	0
175854	TPSA	40.5
81832	Tautomer_Count	3
185654	Defined_Atom_Stereo_Count	0
89930457	Hydrogen_Bond_Acceptor_Count	1
17778385	Isotope_Atom_Count	0
72271	Rotatable_Bond_Count	2
87086790	Covalent_Unit_Count	1
75994	Undefined_Atom_Stereo_Count	0
11850983	Isotope_Atom_Count	0
8949	Rotatable_Bond_Count	3
72271	Hydrogen_Bond_Acceptor_Count	5
378	TPSA	113
6917864	Hydrogen_Bond_Donor_Count	1
12561666	Covalent_Unit_Count	1
417875	Molecular_Weight	112.09
9521	TPSA	52
22450295	Isotope_Atom_Count	0
13854255	Exact_Mass	220.182715385
6603775	Mono_Isotopic_Weight	1201.84136802
24823847	Total_Formal_Charge	0
23642	Exact_Mass	140.02958605
135431272	Mono_Isotopic_Weight	111.043261792
168871	Exact_Mass	563.31076943
10197656	TPSA	67.2
12671783	Undefined_Atom_Stereo_Count	1
7820	Rotatable_Bond_Count	5
94532	Undefined_Bond_Stereo_Count	0
6535	TPSA	44.8
6915	Mono_Isotopic_Weight	116.083729621
16659681	Total_Formal_Charge	0
16684927	Exact_Mass	383.002969
25273215	TPSA	52.8
135678081	Mono_Isotopic_Weight	556.14312602
12639	Undefined_Bond_Stereo_Count	0
10180182	Molecular_Weight	416.6
15229227	Molecular_Weight	231.68
197883	Defined_Bond_Stereo_Count	0
22401	Non-hydrogen_Atom_Count	18
72790	Defined_Bond_Stereo_Count	0
138195	TPSA	26.3
5388962	Covalent_Unit_Count	1
70694392	Rotatable_Bond_Count	5
1805	Non-hydrogen_Atom_Count	17
76223445	Molecular_Weight	81.12
101485482	Structure_Complexity	705
70627	TPSA	66.8
141379122	Non-hydrogen_Atom_Count	8
11569903	Molecular_Weight	520.0
275	Exact_Mass	176.09094026
29385	Non-hydrogen_Atom_Count	7
69532978	Molecular_Weight	115.13
417452	Molecular_Weight	823.0
157684	XLogP3	4.9
89371029	Defined_Atom_Stereo_Count	0
54493	Tautomer_Count	2
457126	XLogP3-AA	0.9
25561	Hydrogen_Bond_Donor_Count	3
62553	Total_Formal_Charge	0
5325	Hydrogen_Bond_Donor_Count	2
60196430	Total_Formal_Charge	0
71462510	Defined_Atom_Stereo_Count	0
118437611	Molecular_Weight	115.13
2794666	Hydrogen_Bond_Donor_Count	2
85166614	Isotope_Atom_Count	0
6850791	Isotope_Atom_Count	0
10813969	Undefined_Atom_Stereo_Count	0
515430	Total_Formal_Charge	0
5249	Covalent_Unit_Count	1
71072113	Hydrogen_Bond_Donor_Count	1
172997	Defined_Bond_Stereo_Count	0
76592	Total_Formal_Charge	0
84440	Isotope_Atom_Count	0
10780	Undefined_Atom_Stereo_Count	0
53731028	Total_Formal_Charge	0
31195	Structure_Complexity	206
6323236	Exact_Mass	582.24783482
128229	Exact_Mass	822.40378589
5360460	TPSA	95.9
6036	Mono_Isotopic_Weight	180.06338810
8606	Defined_Atom_Stereo_Count	0
2761171	Defined_Bond_Stereo_Count	0
3436	Defined_Bond_Stereo_Count	0
76956202	XLogP3-AA	4.7
41317	Undefined_Bond_Stereo_Count	4
319470	TPSA	67.5
163050684	Molecular_Weight	284.35
20861	Molecular_Weight	134.17
7138	Exact_Mass	157.089149355
135492	Undefined_Bond_Stereo_Count	0
5754	Defined_Bond_Stereo_Count	0
47104	Total_Formal_Charge	0
135508048	Hydrogen_Bond_Donor_Count	1
639095	Hydrogen_Bond_Donor_Count	1
582898	Defined_Bond_Stereo_Count	0
78972	Defined_Bond_Stereo_Count	0
3032297	Molecular_Weight	256.4
11073376	Isotope_Atom_Count	0
42037	Undefined_Bond_Stereo_Count	0
12302671	Mono_Isotopic_Weight	342.11621151
12933274	Undefined_Bond_Stereo_Count	0
40473166	Total_Formal_Charge	0
3293	Hydrogen_Bond_Donor_Count	1
15798651	Hydrogen_Bond_Donor_Count	0
135410917	TPSA	42.2
6424	Hydrogen_Bond_Acceptor_Count	1
19077520	Defined_Atom_Stereo_Count	0
66071	Structure_Complexity	21.5
152997633	Undefined_Atom_Stereo_Count	0
24978553	Non-hydrogen_Atom_Count	57
6433520	Molecular_Weight	289.33
131674917	Undefined_Atom_Stereo_Count	0
135837103	Total_Formal_Charge	0
6857732	Defined_Atom_Stereo_Count	8
89990643	TPSA	47.3
140535901	Undefined_Bond_Stereo_Count	0
5250834	Mono_Isotopic_Weight	150.128274515
75453	Mono_Isotopic_Weight	216.17254462
29179	Defined_Atom_Stereo_Count	0
542338	Undefined_Atom_Stereo_Count	0
19860177	Total_Formal_Charge	0
10111431	Hydrogen_Bond_Donor_Count	1
40761	Non-hydrogen_Atom_Count	14
12512	XLogP3-AA	1.4
6540640	Molecular_Weight	505.0
92247	Tautomer_Count	1
872	Non-hydrogen_Atom_Count	23
71681473	Rotatable_Bond_Count	2
17754075	Mono_Isotopic_Weight	115.063328530
12491609	Structure_Complexity	87.8
102678	Non-hydrogen_Atom_Count	38
7025	Hydrogen_Bond_Donor_Count	1
11275562	Hydrogen_Bond_Acceptor_Count	9
5315892	Hydrogen_Bond_Acceptor_Count	1
139179563	Defined_Atom_Stereo_Count	0
21692	Defined_Atom_Stereo_Count	2
126968495	Undefined_Bond_Stereo_Count	2
39468	Exact_Mass	291.18344366
237546	Total_Formal_Charge	0
71360359	Exact_Mass	108.057514874
21519580	Undefined_Atom_Stereo_Count	3
155434	Molecular_Weight	400.5
13718	Covalent_Unit_Count	1
91713	Covalent_Unit_Count	1
91410652	Molecular_Weight	114.14
705388	Covalent_Unit_Count	1
16220109	Exact_Mass	182.130679813
1044	Mono_Isotopic_Weight	120.043596145
97758	Non-hydrogen_Atom_Count	6
52660	Hydrogen_Bond_Donor_Count	1
123732032	Isotope_Atom_Count	0
117291	XLogP3-AA	10.6
59743204	Mono_Isotopic_Weight	99.104799419
68602	Tautomer_Count	2
7618	Isotope_Atom_Count	0
15356533	TPSA	46.2
23687810	Defined_Bond_Stereo_Count	0
25203400	Total_Formal_Charge	1
63407	Defined_Bond_Stereo_Count	0
52905	Defined_Atom_Stereo_Count	0
165880629	TPSA	41.2
4996	Non-hydrogen_Atom_Count	19
11274980	TPSA	42.8
8818	Molecular_Weight	142.20
24436	Tautomer_Count	1
129797817	Structure_Complexity	122
57855562	Mono_Isotopic_Weight	82.078250319
538342	Total_Formal_Charge	0
59966641	Total_Formal_Charge	0
12412244	Molecular_Weight	87.08
123537454	XLogP3-AA	2.1
69512	Defined_Atom_Stereo_Count	0
90487065	Molecular_Weight	112.13
6908	XLogP3	4.6
10280735	Exact_Mass	547.1768513
521440	Total_Formal_Charge	0
21635253	Hydrogen_Bond_Donor_Count	3
2400	Tautomer_Count	3
71432895	Hydrogen_Bond_Acceptor_Count	4
4523333	Exact_Mass	151.039519081
3034285	Hydrogen_Bond_Donor_Count	0
53487898	Exact_Mass	6510.0514478
519963	Undefined_Bond_Stereo_Count	0
6918160	Tautomer_Count	1
34751	Defined_Bond_Stereo_Count	0
25070195	Structure_Complexity	536
9576885	Covalent_Unit_Count	1
18954572	Isotope_Atom_Count	0
55748	Hydrogen_Bond_Acceptor_Count	4
2723733	Defined_Bond_Stereo_Count	0
117717939	Hydrogen_Bond_Donor_Count	8
143686076	Total_Formal_Charge	0
247469	TPSA	40.5
3059	Undefined_Bond_Stereo_Count	0
65919	XLogP3-AA	0.5
134479	Defined_Bond_Stereo_Count	0
13658066	Exact_Mass	112.052429494
23677992	Tautomer_Count	4
23080901	XLogP3-AA	0.1
14718277	Molecular_Weight	112.13
2760056	Total_Formal_Charge	0
5287864	XLogP3-AA	3.7
14434847	Defined_Atom_Stereo_Count	0
71459646	Exact_Mass	594.24182320
143714846	Covalent_Unit_Count	1
76229	Undefined_Bond_Stereo_Count	0
10330791	Total_Formal_Charge	0
22132230	Total_Formal_Charge	0
1145	Hydrogen_Bond_Acceptor_Count	1
137208	Non-hydrogen_Atom_Count	5
68868	TPSA	80.7
10920480	Mono_Isotopic_Weight	114.104465066
721137	Covalent_Unit_Count	1
439468	Exact_Mass	579.89504254
6604087	Non-hydrogen_Atom_Count	37
2939	Molecular_Weight	464.15
53956290	XLogP3-AA	3
10820489	Molecular_Weight	111.14
71105	Defined_Atom_Stereo_Count	0
32940	Mono_Isotopic_Weight	287.0825398
16721	Tautomer_Count	1
521131	Mono_Isotopic_Weight	78.02810645
6401302	Total_Formal_Charge	0
5650	Undefined_Bond_Stereo_Count	0
10527347	Covalent_Unit_Count	1
6857686	XLogP3-AA	3
57400138	Covalent_Unit_Count	1
57055230	Mono_Isotopic_Weight	103.063328530
4596	Rotatable_Bond_Count	8
35364	Undefined_Atom_Stereo_Count	0
20859	Exact_Mass	104.083729621
21777	Total_Formal_Charge	0
6977166	Hydrogen_Bond_Acceptor_Count	1
441302	Non-hydrogen_Atom_Count	21
75828	Hydrogen_Bond_Acceptor_Count	1
12563	TPSA	0
157010269	Undefined_Atom_Stereo_Count	4
5323977	Non-hydrogen_Atom_Count	8
537329	Total_Formal_Charge	0
58714	Mono_Isotopic_Weight	197.116426730
50988819	XLogP3-AA	4.5
59111489	TPSA	57.2
70693548	Isotope_Atom_Count	0
177120	Undefined_Bond_Stereo_Count	0
16219010	Molecular_Weight	385.8
776461	Non-hydrogen_Atom_Count	12
10048368	Undefined_Bond_Stereo_Count	0
33137	Defined_Atom_Stereo_Count	0
104609	Undefined_Bond_Stereo_Count	0
18608283	TPSA	236
71094775	Undefined_Atom_Stereo_Count	5
9653	TPSA	48.5
20435525	Non-hydrogen_Atom_Count	17
55407	Undefined_Atom_Stereo_Count	0
12848394	Isotope_Atom_Count	0
44207128	XLogP3-AA	7.4
21094	Covalent_Unit_Count	2
10996	Non-hydrogen_Atom_Count	7
69808	Hydrogen_Bond_Acceptor_Count	0
91276	Molecular_Weight	306.4
8271	XLogP3	1.8
5281553	Covalent_Unit_Count	1
952882	Non-hydrogen_Atom_Count	21
240796	Rotatable_Bond_Count	1
448925	Rotatable_Bond_Count	4
17356	Covalent_Unit_Count	1
4541	Tautomer_Count	1
10256440	Defined_Atom_Stereo_Count	0
88209	TPSA	37.3
12811926	Hydrogen_Bond_Donor_Count	0
14337609	Rotatable_Bond_Count	2
18338549	Hydrogen_Bond_Acceptor_Count	2
227244	Mono_Isotopic_Weight	71.073499291
74825	Mono_Isotopic_Weight	243.901449
449284	Mono_Isotopic_Weight	384.19501140
60196362	Undefined_Atom_Stereo_Count	0
1678	Total_Formal_Charge	0
9955534	Undefined_Bond_Stereo_Count	0
5212856	Molecular_Weight	304.8
20226552	Rotatable_Bond_Count	0
5388925	Defined_Bond_Stereo_Count	4
133134	Molecular_Weight	554.6
54585373	TPSA	87.6
5426	Tautomer_Count	8
19903	Structure_Complexity	58.6
28594	Isotope_Atom_Count	0
31493	Total_Formal_Charge	0
23462	Total_Formal_Charge	0
24971342	Undefined_Bond_Stereo_Count	0
1481	Undefined_Atom_Stereo_Count	1
3357	Covalent_Unit_Count	1
163050680	Exact_Mass	284.16237386
20262	Tautomer_Count	3
12513422	Hydrogen_Bond_Acceptor_Count	1
145255275	Hydrogen_Bond_Donor_Count	0
28346	Structure_Complexity	432
11269429	Isotope_Atom_Count	0
652019	Isotope_Atom_Count	0
32739	Undefined_Atom_Stereo_Count	0
137018	TPSA	20.2
179832	Non-hydrogen_Atom_Count	8
139771583	Undefined_Bond_Stereo_Count	0
636367	Mono_Isotopic_Weight	193.05863707
7597	Isotope_Atom_Count	0
23064530	TPSA	31.9
13514194	XLogP3-AA	0.3
15891	XLogP3	2.6
46878477	Covalent_Unit_Count	1
12209629	Covalent_Unit_Count	1
10773310	Defined_Bond_Stereo_Count	0
10153998	Defined_Atom_Stereo_Count	0
18460542	TPSA	47.8
32698	XLogP3-AA	3.8
5146	Rotatable_Bond_Count	1
2128	Isotope_Atom_Count	0
4174	Undefined_Atom_Stereo_Count	0
18185988	Mono_Isotopic_Weight	84.057514874
12303662	Defined_Bond_Stereo_Count	0
129664338	Hydrogen_Bond_Donor_Count	1
14013	Structure_Complexity	24.8
83971	Mono_Isotopic_Weight	892.47801345
129090013	Total_Formal_Charge	0
12082513	Hydrogen_Bond_Donor_Count	5
11543746	TPSA	57.8
10351670	Undefined_Bond_Stereo_Count	0
122451302	Exact_Mass	416.32904526
154790040	Covalent_Unit_Count	1
1312	Exact_Mass	451.02941569
26093	Structure_Complexity	361
436497	TPSA	44.3
73896891	Defined_Atom_Stereo_Count	12
24758983	Molecular_Weight	420.4
13002	Mono_Isotopic_Weight	72.021129366
444493	Exact_Mass	809.12577494
71661251	Covalent_Unit_Count	1
6453603	Defined_Atom_Stereo_Count	0
9596	Undefined_Atom_Stereo_Count	0
23688957	Rotatable_Bond_Count	1
10197612	Covalent_Unit_Count	1
15774823	Undefined_Bond_Stereo_Count	0
2762918	Undefined_Atom_Stereo_Count	0
18950548	Covalent_Unit_Count	1
527511	Undefined_Atom_Stereo_Count	0
9936727	Defined_Bond_Stereo_Count	0
13073879	XLogP3-AA	0
123133886	Undefined_Atom_Stereo_Count	1
5359423	Total_Formal_Charge	0
9833939	Defined_Bond_Stereo_Count	0
6584	Molecular_Weight	74.08
64991794	Isotope_Atom_Count	0
65750	Defined_Bond_Stereo_Count	0
6479523	Isotope_Atom_Count	0
11547499	TPSA	132
21802862	Exact_Mass	114.042927438
6441057	Exact_Mass	252.208930132
255	Molecular_Weight	340.18
123422	Mono_Isotopic_Weight	148.074896272
6439900	Defined_Atom_Stereo_Count	0
7017	XLogP3	3.1
54317152	Mono_Isotopic_Weight	112.063662883
6041	TPSA	52.5
85057	Hydrogen_Bond_Donor_Count	2
556	Covalent_Unit_Count	1
98210	Exact_Mass	87.068413911
189562	Undefined_Atom_Stereo_Count	0
7706	Undefined_Atom_Stereo_Count	0
749	Exact_Mass	434.23113938
9549179	Isotope_Atom_Count	0
23662369	Defined_Atom_Stereo_Count	0
24901658	Undefined_Bond_Stereo_Count	0
6312649	Molecular_Weight	389.05
14437479	Isotope_Atom_Count	0
21843609	Non-hydrogen_Atom_Count	7
3461	Tautomer_Count	3
9429	Defined_Bond_Stereo_Count	0
61024	Tautomer_Count	1
26798	Tautomer_Count	1
11546	XLogP3-AA	1.6
86609	Defined_Bond_Stereo_Count	0
23680396	Undefined_Atom_Stereo_Count	2
3894848	Covalent_Unit_Count	1
203329	Non-hydrogen_Atom_Count	38
67406	Covalent_Unit_Count	1
599202	TPSA	26
5282459	Exact_Mass	417.22637110
2777083	Defined_Atom_Stereo_Count	0
759785	TPSA	114
14535399	Mono_Isotopic_Weight	106.9899821
13543206	TPSA	40.9
3351	Rotatable_Bond_Count	5
81255	Structure_Complexity	229
49865496	Covalent_Unit_Count	1
3083702	Rotatable_Bond_Count	15
22619036	Mono_Isotopic_Weight	136.063662883
16682935	Rotatable_Bond_Count	0
3080938	Rotatable_Bond_Count	46
445302	Total_Formal_Charge	0
9842742	Hydrogen_Bond_Donor_Count	3
6992032	Undefined_Atom_Stereo_Count	0
130145407	Defined_Bond_Stereo_Count	0
76084	Defined_Atom_Stereo_Count	0
2723698	Defined_Bond_Stereo_Count	0
101944071	Molecular_Weight	346.2
91668	Defined_Atom_Stereo_Count	6
26038	Exact_Mass	311.74429
139087380	Undefined_Bond_Stereo_Count	0
3077	Structure_Complexity	103
55424	Defined_Atom_Stereo_Count	0
10148984	Hydrogen_Bond_Donor_Count	2
35370	Undefined_Atom_Stereo_Count	0
30959	Mono_Isotopic_Weight	250.168127949
72034	Covalent_Unit_Count	2
20811482	Exact_Mass	97.052763847
23689036	Hydrogen_Bond_Acceptor_Count	4
25201948	Isotope_Atom_Count	0
12711096	Covalent_Unit_Count	1
9961469	Exact_Mass	674.07629
17846631	Structure_Complexity	240
14228	XLogP3	5.3
63016	Non-hydrogen_Atom_Count	31
21659832	Rotatable_Bond_Count	3
439284	Rotatable_Bond_Count	3
10785	Total_Formal_Charge	0
12995	Structure_Complexity	34.5
118010650	Undefined_Bond_Stereo_Count	0
54556023	Mono_Isotopic_Weight	113.084063974
107771	Exact_Mass	517.2244530
53903157	Isotope_Atom_Count	0
5367805	Structure_Complexity	106
23040	Total_Formal_Charge	0
5526	Molecular_Weight	157.21
638228	Hydrogen_Bond_Donor_Count	0
9012	Hydrogen_Bond_Donor_Count	0
6342	TPSA	23.8
518900	Total_Formal_Charge	0
13033202	TPSA	52
9802	TPSA	58.2
91065259	XLogP3-AA	0.5
643588	Mono_Isotopic_Weight	124.125200510
10331863	XLogP3-AA	3.1
9614919	Covalent_Unit_Count	1
196396	Mono_Isotopic_Weight	538.1765170
78802	Defined_Bond_Stereo_Count	0
10444765	Undefined_Atom_Stereo_Count	0
13593925	Covalent_Unit_Count	1
121285115	Non-hydrogen_Atom_Count	20
20226581	Non-hydrogen_Atom_Count	8
107689	Rotatable_Bond_Count	1
693050	Covalent_Unit_Count	1
408793	Undefined_Atom_Stereo_Count	0
12774540	Rotatable_Bond_Count	2
70682212	Hydrogen_Bond_Donor_Count	1
14804469	Hydrogen_Bond_Donor_Count	0
75341	Total_Formal_Charge	0
24949552	Molecular_Weight	357.4
5379102	Molecular_Weight	113.16
10857507	Undefined_Atom_Stereo_Count	1
174251	Undefined_Bond_Stereo_Count	0
18822	Rotatable_Bond_Count	1
83952	Mono_Isotopic_Weight	734.49287567
11105310	Total_Formal_Charge	0
6785	Covalent_Unit_Count	1
11706282	Undefined_Atom_Stereo_Count	0
12286866	Total_Formal_Charge	0
718862	Undefined_Bond_Stereo_Count	0
86443	Undefined_Bond_Stereo_Count	0
119177	Hydrogen_Bond_Donor_Count	9
153772784	Mono_Isotopic_Weight	112.027277375
16130538	Covalent_Unit_Count	1
533840	Exact_Mass	85.089149355
16219954	Total_Formal_Charge	0
5311	Exact_Mass	264.14739250
22341299	Hydrogen_Bond_Acceptor_Count	4
336423	Exact_Mass	386.21066147
18683510	Isotope_Atom_Count	0
5280398	Molecular_Weight	200.14
74098	Non-hydrogen_Atom_Count	15
119031	XLogP3-AA	0.5
135476260	Hydrogen_Bond_Donor_Count	8
83966	Mono_Isotopic_Weight	331.10558726
10077147	Exact_Mass	591.09134
374346	Defined_Bond_Stereo_Count	0
69814	Total_Formal_Charge	0
17531	Molecular_Weight	345.4
75445	Molecular_Weight	477.7
265652	Defined_Atom_Stereo_Count	0
94398	Isotope_Atom_Count	0
4427	Covalent_Unit_Count	1
6671	Defined_Atom_Stereo_Count	0
5324585	Covalent_Unit_Count	1
139064747	Undefined_Atom_Stereo_Count	0
47024	Tautomer_Count	2
76674	Undefined_Bond_Stereo_Count	0
6784	Defined_Atom_Stereo_Count	0
45380936	TPSA	101
3064674	Non-hydrogen_Atom_Count	26
12243027	Undefined_Bond_Stereo_Count	0
45255840	Undefined_Atom_Stereo_Count	2
119438	Covalent_Unit_Count	1
86181474	Defined_Bond_Stereo_Count	0
68666	Undefined_Bond_Stereo_Count	0
16760139	Mono_Isotopic_Weight	152.01126970
7077	Undefined_Atom_Stereo_Count	0
5280896	TPSA	74.6
129812304	XLogP3-AA	1.7
13347373	Hydrogen_Bond_Acceptor_Count	2
767	TPSA	57.5
5289247	Exact_Mass	257.02589765
21859	Defined_Bond_Stereo_Count	0
443958	Hydrogen_Bond_Donor_Count	1
85960	Non-hydrogen_Atom_Count	16
449435	Defined_Bond_Stereo_Count	0
19077520	Exact_Mass	416.1415318
47825	Defined_Atom_Stereo_Count	0
87757577	Undefined_Bond_Stereo_Count	1
5356785	Undefined_Atom_Stereo_Count	0
91667752	Hydrogen_Bond_Donor_Count	3
13924394	Molecular_Weight	112.13
7716	TPSA	0
139191468	Hydrogen_Bond_Donor_Count	2
3179255	XLogP3-AA	3.7
29075	Hydrogen_Bond_Acceptor_Count	0
57928403	Hydrogen_Bond_Donor_Count	4
43231	Exact_Mass	378.902181
5283748	Structure_Complexity	688
85626	Mono_Isotopic_Weight	140.131348519
91572	Defined_Atom_Stereo_Count	2
92214	Isotope_Atom_Count	0
28459	Non-hydrogen_Atom_Count	12
1232	Rotatable_Bond_Count	0
2810830	Structure_Complexity	611
2887	Covalent_Unit_Count	1
68928	Isotope_Atom_Count	0
30231	Isotope_Atom_Count	0
71713950	Covalent_Unit_Count	1
1964	Undefined_Bond_Stereo_Count	1
53766125	Structure_Complexity	91.3
46203139	Isotope_Atom_Count	0
13887	Rotatable_Bond_Count	1
521939	Mono_Isotopic_Weight	268.125200510
70383887	Mono_Isotopic_Weight	110.073164938
52922056	Hydrogen_Bond_Donor_Count	0
53784863	TPSA	30.5
10154203	Defined_Bond_Stereo_Count	0
82587	TPSA	71.4
8783	Covalent_Unit_Count	1
24408	Structure_Complexity	0
11622909	Undefined_Bond_Stereo_Count	0
4659392	Covalent_Unit_Count	1
9951059	Mono_Isotopic_Weight	366.13617637
25674	Isotope_Atom_Count	0
165598	Tautomer_Count	2
123417941	Hydrogen_Bond_Acceptor_Count	3
816864	Exact_Mass	253.09502258
135410344	Isotope_Atom_Count	0
67075257	Defined_Atom_Stereo_Count	0
3591	Tautomer_Count	8
1127	Hydrogen_Bond_Acceptor_Count	1
23585071	Undefined_Atom_Stereo_Count	0
12467	Molecular_Weight	393.70
12020	Rotatable_Bond_Count	2
11288	Hydrogen_Bond_Donor_Count	3
12209630	Isotope_Atom_Count	0
5802	Hydrogen_Bond_Acceptor_Count	2
51622	Total_Formal_Charge	0
20680	Hydrogen_Bond_Donor_Count	0
8562	Defined_Bond_Stereo_Count	0
84098	Structure_Complexity	597
8027	Hydrogen_Bond_Acceptor_Count	0
107949	Tautomer_Count	2
20821294	Structure_Complexity	122
802074	XLogP3-AA	4.8
57396213	Covalent_Unit_Count	1
14676	Hydrogen_Bond_Donor_Count	1
80599	Hydrogen_Bond_Acceptor_Count	1
53257735	Hydrogen_Bond_Donor_Count	1
11783	Defined_Atom_Stereo_Count	0
5460161	Molecular_Weight	89.07
163883593	Mono_Isotopic_Weight	111.079647300
95724	Tautomer_Count	3
3628	Undefined_Bond_Stereo_Count	0
57395447	Defined_Bond_Stereo_Count	0
90098	Molecular_Weight	237.33
57320831	Defined_Atom_Stereo_Count	0
28563239	Rotatable_Bond_Count	3
16013	Undefined_Atom_Stereo_Count	0
52393	Mono_Isotopic_Weight	339.1965069
131204	TPSA	89.8
36457	Defined_Bond_Stereo_Count	0
17756	Covalent_Unit_Count	1
13487342	Undefined_Atom_Stereo_Count	2
9918978	Structure_Complexity	1600
9854073	XLogP3	2.7
7715	Mono_Isotopic_Weight	182.094294304
40113	Defined_Atom_Stereo_Count	0
9788	Undefined_Bond_Stereo_Count	0
72732196	Hydrogen_Bond_Donor_Count	2
11063784	Mono_Isotopic_Weight	214.08412354
267577	Undefined_Atom_Stereo_Count	0
71820	Covalent_Unit_Count	2
33791	Tautomer_Count	1
565471	Mono_Isotopic_Weight	168.115029749
39066	Isotope_Atom_Count	0
5369	XLogP3-AA	4
6148	Covalent_Unit_Count	1
73707684	Hydrogen_Bond_Donor_Count	2
5057599	XLogP3-AA	4.5
42713	Undefined_Bond_Stereo_Count	0
22856	Defined_Bond_Stereo_Count	0
5323977	Molecular_Weight	114.10
21637412	Undefined_Bond_Stereo_Count	0
899	Molecular_Weight	221.21
49692	Undefined_Atom_Stereo_Count	0
78759283	Covalent_Unit_Count	2
83146	Exact_Mass	158.118103753
11054	Isotope_Atom_Count	0
440141	Isotope_Atom_Count	0
1983	Exact_Mass	151.063328530
1012	Defined_Atom_Stereo_Count	0
151932	Defined_Atom_Stereo_Count	0
24875236	Exact_Mass	363.14839556
4025	TPSA	64.1
15432	Defined_Atom_Stereo_Count	0
292661	TPSA	104
5469424	Non-hydrogen_Atom_Count	25
54584708	Covalent_Unit_Count	1
12719155	Defined_Atom_Stereo_Count	0
76335	Hydrogen_Bond_Donor_Count	0
53932534	Mono_Isotopic_Weight	115.063328530
20372060	Mono_Isotopic_Weight	113.047678466
2768268	Exact_Mass	279.01361889
98174	Molecular_Weight	263.3
13362	Isotope_Atom_Count	0
148837046	Non-hydrogen_Atom_Count	8
22464	Total_Formal_Charge	0
10290	Undefined_Bond_Stereo_Count	0
5071450	Mono_Isotopic_Weight	157.04874109
10357917	Isotope_Atom_Count	0
29356	Undefined_Atom_Stereo_Count	0
16682804	Undefined_Atom_Stereo_Count	0
448055	XLogP3-AA	2.2
45256294	Exact_Mass	402.16919058
13068890	Hydrogen_Bond_Acceptor_Count	1
71392	Undefined_Bond_Stereo_Count	0
88922160	Defined_Atom_Stereo_Count	12
319771	TPSA	41.1
60196353	Defined_Bond_Stereo_Count	0
25142574	Hydrogen_Bond_Acceptor_Count	4
440192	Mono_Isotopic_Weight	206.094294304
264082	Total_Formal_Charge	0
135889896	Rotatable_Bond_Count	3
9244	XLogP3-AA	0.8
216992	Molecular_Weight	284.4
663	Covalent_Unit_Count	1
160138	Undefined_Bond_Stereo_Count	0
439846	Rotatable_Bond_Count	1
77137	Isotope_Atom_Count	0
688222	Hydrogen_Bond_Donor_Count	0
56679112	Molecular_Weight	341.4
25006	Covalent_Unit_Count	1
3032576	Undefined_Bond_Stereo_Count	0
49866023	Non-hydrogen_Atom_Count	26
86501	Undefined_Atom_Stereo_Count	1
135460987	Total_Formal_Charge	0
4274	Mono_Isotopic_Weight	382.24018375
4662	Defined_Atom_Stereo_Count	0
252379	Exact_Mass	302.18819469
15192	Undefined_Bond_Stereo_Count	0
73799602	Non-hydrogen_Atom_Count	7
71300870	Defined_Bond_Stereo_Count	0
41097873	Defined_Bond_Stereo_Count	0
1094	Hydrogen_Bond_Acceptor_Count	5
123983	Defined_Bond_Stereo_Count	0
78284	Molecular_Weight	132.59
3782034	Rotatable_Bond_Count	0
3714	Isotope_Atom_Count	0
140796896	Undefined_Bond_Stereo_Count	1
9964081	Structure_Complexity	99.8
219093	Non-hydrogen_Atom_Count	21
60995	Isotope_Atom_Count	0
26956	Defined_Atom_Stereo_Count	5
3077	Total_Formal_Charge	0
96354	Structure_Complexity	249
1335	Tautomer_Count	1
16248	Defined_Atom_Stereo_Count	0
11240433	TPSA	49.8
3593	Structure_Complexity	413
126547509	Defined_Bond_Stereo_Count	0
24744154	Defined_Bond_Stereo_Count	0
11181837	Tautomer_Count	1
11705034	Exact_Mass	447.1855608
15940197	Defined_Atom_Stereo_Count	7
135513268	Undefined_Bond_Stereo_Count	0
9933197	Defined_Atom_Stereo_Count	0
3033332	Exact_Mass	350.1179395
667684	Total_Formal_Charge	0
19053	Non-hydrogen_Atom_Count	17
83756	Hydrogen_Bond_Acceptor_Count	4
282	Hydrogen_Bond_Acceptor_Count	4
102068104	Isotope_Atom_Count	0
12004215	Tautomer_Count	1001
12656856	Total_Formal_Charge	0
138059757	Defined_Atom_Stereo_Count	8
53779803	Non-hydrogen_Atom_Count	6
138037	Covalent_Unit_Count	1
17360	Undefined_Bond_Stereo_Count	1
21951722	Non-hydrogen_Atom_Count	8
482	Structure_Complexity	824
5334356	Covalent_Unit_Count	1
135430795	Total_Formal_Charge	0
123332	Total_Formal_Charge	1
10345214	Hydrogen_Bond_Donor_Count	3
21895922	Exact_Mass	110.109550447
23646072	Mono_Isotopic_Weight	515.22810243
44384785	Rotatable_Bond_Count	3
152109	Isotope_Atom_Count	0
21549213	Undefined_Bond_Stereo_Count	0
144793800	Undefined_Atom_Stereo_Count	0
58247571	Covalent_Unit_Count	1
21852125	Non-hydrogen_Atom_Count	14
746471	Isotope_Atom_Count	0
58559	Total_Formal_Charge	0
51380890	Defined_Bond_Stereo_Count	0
148673	Covalent_Unit_Count	2
5353521	Isotope_Atom_Count	0
5237	TPSA	37.3
52945794	Defined_Bond_Stereo_Count	0
9794203	Non-hydrogen_Atom_Count	15
359784	Structure_Complexity	197
21319	Mono_Isotopic_Weight	453.0561477
117781134	Isotope_Atom_Count	0
3659	Molecular_Weight	527.5
16540	Molecular_Weight	119.59
520997	TPSA	38
53765090	Non-hydrogen_Atom_Count	7
2176	Isotope_Atom_Count	0
11137118	Molecular_Weight	109.13
14875988	Rotatable_Bond_Count	1
12248569	XLogP3-AA	0.9
7673	Non-hydrogen_Atom_Count	9
3376	Mono_Isotopic_Weight	494.24799519
16218979	Undefined_Bond_Stereo_Count	0
54247154	Undefined_Bond_Stereo_Count	0
22565	XLogP3-AA	3.1
57425261	TPSA	50.2
10346039	Exact_Mass	504.1462019
638261	Hydrogen_Bond_Acceptor_Count	5
24860538	Mono_Isotopic_Weight	361.875716
133967	XLogP3-AA	5.1
87639	Hydrogen_Bond_Acceptor_Count	0
88273595	Molecular_Weight	116.12
51030053	Undefined_Bond_Stereo_Count	0
743681	XLogP3-AA	3.7
87682885	Structure_Complexity	106
20190406	Non-hydrogen_Atom_Count	8
4439	Molecular_Weight	751.0
22856	Defined_Atom_Stereo_Count	0
28896	Defined_Atom_Stereo_Count	0
4693	Structure_Complexity	1440
98452	Structure_Complexity	99.8
20055089	TPSA	12.5
70690019	Rotatable_Bond_Count	4
71583274	Non-hydrogen_Atom_Count	33
33775	Isotope_Atom_Count	0
14740383	Structure_Complexity	78.2
13199930	Structure_Complexity	181
41095	XLogP3	3.3
681274	Defined_Atom_Stereo_Count	0
124220088	Rotatable_Bond_Count	6
21079839	Non-hydrogen_Atom_Count	8
23676152	Isotope_Atom_Count	0
11643926	Total_Formal_Charge	0
5361092	Total_Formal_Charge	0
34338	Undefined_Atom_Stereo_Count	0
53484567	Defined_Bond_Stereo_Count	0
285036	Structure_Complexity	91.1
30065	Mono_Isotopic_Weight	261.172878976
23665706	Structure_Complexity	205
16218979	Hydrogen_Bond_Acceptor_Count	9
40473404	Undefined_Atom_Stereo_Count	0
49865971	Defined_Bond_Stereo_Count	0
4848	Undefined_Atom_Stereo_Count	0
56675695	Covalent_Unit_Count	1
7668	Defined_Bond_Stereo_Count	0
9808654	Covalent_Unit_Count	3
56841020	Undefined_Bond_Stereo_Count	0
10459820	Molecular_Weight	536.5
3082301	Mono_Isotopic_Weight	550.18977037
71306	Undefined_Atom_Stereo_Count	8
5076631	Undefined_Bond_Stereo_Count	0
9794712	TPSA	144
19842676	Defined_Atom_Stereo_Count	0
78759	Undefined_Atom_Stereo_Count	0
127030167	Hydrogen_Bond_Donor_Count	6
431	Defined_Bond_Stereo_Count	0
157688	Hydrogen_Bond_Acceptor_Count	13
6437356	Undefined_Atom_Stereo_Count	1
2915	Molecular_Weight	152.3
90878759	TPSA	24.7
12817963	XLogP3-AA	0.3
93738	Defined_Bond_Stereo_Count	0
14496	Hydrogen_Bond_Acceptor_Count	1
250074	Structure_Complexity	128
62865	Covalent_Unit_Count	1
9681	Isotope_Atom_Count	0
5223	Defined_Atom_Stereo_Count	0
10582755	XLogP3-AA	1.1
42552711	Exact_Mass	342.11621151
76225552	Total_Formal_Charge	0
19137	Structure_Complexity	227
43552	Molecular_Weight	112.21
7348	Non-hydrogen_Atom_Count	19
162816817	Undefined_Bond_Stereo_Count	5
11073351	Hydrogen_Bond_Donor_Count	0
10920480	XLogP3-AA	1.9
10219384	Non-hydrogen_Atom_Count	5
31297	Tautomer_Count	1
13568501	Mono_Isotopic_Weight	111.079647300
12263095	Isotope_Atom_Count	0
719044	Defined_Bond_Stereo_Count	0
11890	XLogP3	1.6
17845829	Total_Formal_Charge	0
91778	Structure_Complexity	448
57363	Defined_Atom_Stereo_Count	7
16020938	Non-hydrogen_Atom_Count	17
12480891	Non-hydrogen_Atom_Count	7
20674252	XLogP3-AA	0.6
70916	Defined_Atom_Stereo_Count	0
24802075	Defined_Atom_Stereo_Count	6
177708	Covalent_Unit_Count	1
3776	Tautomer_Count	6
2361	Isotope_Atom_Count	0
53838967	Hydrogen_Bond_Acceptor_Count	2
59445439	Covalent_Unit_Count	1
73219	Isotope_Atom_Count	0
42580057	Non-hydrogen_Atom_Count	23
2440	Structure_Complexity	586
11513721	Undefined_Bond_Stereo_Count	0
18387020	Mono_Isotopic_Weight	115.099714038
35711	Tautomer_Count	1
14825	Total_Formal_Charge	0
11017510	Mono_Isotopic_Weight	610.14628337
130993429	Total_Formal_Charge	0
9424	Undefined_Bond_Stereo_Count	0
56842000	Mono_Isotopic_Weight	601.944164
53708664	Defined_Bond_Stereo_Count	0
8742	Non-hydrogen_Atom_Count	12
165971	Molecular_Weight	151.990
179	Covalent_Unit_Count	1
129873282	Covalent_Unit_Count	1
65014	Covalent_Unit_Count	9
135487856	Undefined_Atom_Stereo_Count	2
45486168	Defined_Bond_Stereo_Count	0
11865	Mono_Isotopic_Weight	113.011292958
34927	Covalent_Unit_Count	1
156024996	Molecular_Weight	6511
11062335	Total_Formal_Charge	0
3037886	Rotatable_Bond_Count	0
16049867	Isotope_Atom_Count	0
44563067	Non-hydrogen_Atom_Count	28
28615	Total_Formal_Charge	0
9901	Hydrogen_Bond_Acceptor_Count	2
7757	Non-hydrogen_Atom_Count	8
81827	TPSA	0
69861	Mono_Isotopic_Weight	149.120449483
561096	Molecular_Weight	92.14
17725	Total_Formal_Charge	0
44393512	Exact_Mass	1201.84136802
14781907	Mono_Isotopic_Weight	101.084063974
2192	Rotatable_Bond_Count	0
88859271	Rotatable_Bond_Count	3
57066209	Molecular_Weight	112.13
146014417	Covalent_Unit_Count	3
30550	Undefined_Atom_Stereo_Count	4
68310	Isotope_Atom_Count	0
6418	Total_Formal_Charge	0
12315159	XLogP3-AA	1.8
14920523	Hydrogen_Bond_Donor_Count	0
9863303	Rotatable_Bond_Count	4
61635	Defined_Atom_Stereo_Count	0
137090	Structure_Complexity	69.3
5479529	Hydrogen_Bond_Donor_Count	3
88035911	Isotope_Atom_Count	0
13388323	Covalent_Unit_Count	1
5354495	Non-hydrogen_Atom_Count	1
14911944	TPSA	29.5
22010122	Isotope_Atom_Count	0
66384	Undefined_Bond_Stereo_Count	0
2816568	XLogP3-AA	3.4
10005402	Undefined_Bond_Stereo_Count	0
5384293	Covalent_Unit_Count	1
3073	Non-hydrogen_Atom_Count	11
12695785	Total_Formal_Charge	0
10993649	Total_Formal_Charge	0
53465849	Rotatable_Bond_Count	6
2656	TPSA	297
21321822	TPSA	6.5
15910	Undefined_Bond_Stereo_Count	0
67174361	Structure_Complexity	108
91501	Tautomer_Count	1
642197	Molecular_Weight	124.99
5311136	Undefined_Atom_Stereo_Count	0
21484	Undefined_Atom_Stereo_Count	0
5324683	XLogP3-AA	1.3
25210	Hydrogen_Bond_Donor_Count	2
90771502	Defined_Bond_Stereo_Count	0
135618150	Hydrogen_Bond_Donor_Count	10
128419	Undefined_Atom_Stereo_Count	0
70580528	Molecular_Weight	378.4
59742	Structure_Complexity	527
10242	Structure_Complexity	327
69021	Defined_Bond_Stereo_Count	0
98527	XLogP3	2.1
57396887	Total_Formal_Charge	0
5282109	Undefined_Bond_Stereo_Count	0
11235728	Undefined_Atom_Stereo_Count	0
581676	Mono_Isotopic_Weight	289.16779360
21902132	Covalent_Unit_Count	1
8270	Defined_Atom_Stereo_Count	3
6810	TPSA	43.4
13707	Undefined_Bond_Stereo_Count	1
54679016	Non-hydrogen_Atom_Count	27
18475804	Molecular_Weight	112.13
3482378	Defined_Bond_Stereo_Count	0
10945834	Mono_Isotopic_Weight	280.13107373
60196404	Structure_Complexity	886
12500871	Defined_Bond_Stereo_Count	0
12284	Defined_Atom_Stereo_Count	0
11633038	Isotope_Atom_Count	0
19016756	Molecular_Weight	100.08
57302612	Non-hydrogen_Atom_Count	6
12358803	Hydrogen_Bond_Acceptor_Count	2
22630677	Undefined_Bond_Stereo_Count	0
53326156	Covalent_Unit_Count	1
72014	Undefined_Bond_Stereo_Count	0
135578046	TPSA	70.7
10176120	Mono_Isotopic_Weight	113.07014524
12331	Defined_Bond_Stereo_Count	0
14895679	Molecular_Weight	87.12
133587580	Hydrogen_Bond_Acceptor_Count	14
70339927	Non-hydrogen_Atom_Count	6
3968	Hydrogen_Bond_Acceptor_Count	2
90754	Isotope_Atom_Count	0
524270	Hydrogen_Bond_Acceptor_Count	2
537148	Hydrogen_Bond_Donor_Count	0
90978	Hydrogen_Bond_Donor_Count	0
21546968	Non-hydrogen_Atom_Count	8
873450	Non-hydrogen_Atom_Count	23
1517	Tautomer_Count	2
21282995	XLogP3-AA	0.2
5280343	Mono_Isotopic_Weight	302.04265265
11578	Tautomer_Count	6
4159	Hydrogen_Bond_Donor_Count	3
57395974	Total_Formal_Charge	0
2423	Isotope_Atom_Count	0
11005	Defined_Bond_Stereo_Count	0
6867	Undefined_Atom_Stereo_Count	0
72846	Exact_Mass	211.074561919
68094	Hydrogen_Bond_Acceptor_Count	3
5460185	Structure_Complexity	383
68903	TPSA	49.4
450591	Defined_Bond_Stereo_Count	0
11378472	Total_Formal_Charge	0
5310957	Total_Formal_Charge	0
6084	Defined_Bond_Stereo_Count	0
5353853	XLogP3-AA	6.1
18999023	Structure_Complexity	51.9
6504	Molecular_Weight	318.32
32326	Undefined_Bond_Stereo_Count	0
7106	Undefined_Bond_Stereo_Count	0
121543	Defined_Atom_Stereo_Count	0
3326923	Molecular_Weight	205.27
3503	Mono_Isotopic_Weight	518.19406791
37545	Structure_Complexity	31.2
73513	XLogP3-AA	1.5
53317131	TPSA	78.3
56851705	Rotatable_Bond_Count	3
56327	Covalent_Unit_Count	1
79961	Structure_Complexity	59.7
35754	Structure_Complexity	330
714937	Defined_Atom_Stereo_Count	0
97289	Non-hydrogen_Atom_Count	12
197081	Tautomer_Count	171
56840781	Isotope_Atom_Count	0
45878	Covalent_Unit_Count	1
143686076	XLogP3-AA	0.8
98719	Hydrogen_Bond_Acceptor_Count	2
61041	Exact_Mass	150.104465066
23667962	Structure_Complexity	857
135052535	Non-hydrogen_Atom_Count	8
6509808	Non-hydrogen_Atom_Count	35
24917002	Defined_Bond_Stereo_Count	0
22704	Defined_Bond_Stereo_Count	0
3779	Hydrogen_Bond_Acceptor_Count	4
155903675	Total_Formal_Charge	0
53143	Hydrogen_Bond_Donor_Count	2
135456058	Mono_Isotopic_Weight	516.16787042
53309	Tautomer_Count	1
89803	Isotope_Atom_Count	0
57254473	Hydrogen_Bond_Donor_Count	0
10930781	Defined_Atom_Stereo_Count	2
122797	Defined_Atom_Stereo_Count	4
136219151	Hydrogen_Bond_Acceptor_Count	3
7292	Isotope_Atom_Count	0
11583971	Undefined_Bond_Stereo_Count	0
594397	XLogP3-AA	1.6
101050964	XLogP3-AA	1.1
124085867	Structure_Complexity	779
90720950	Molecular_Weight	114.08
130150414	Hydrogen_Bond_Acceptor_Count	4
70715	Isotope_Atom_Count	0
31593	Defined_Bond_Stereo_Count	0
166548151	Undefined_Atom_Stereo_Count	0
15748	Undefined_Atom_Stereo_Count	1
562176	Hydrogen_Bond_Donor_Count	0
801111	Hydrogen_Bond_Acceptor_Count	5
5364759	Total_Formal_Charge	0
49091	Defined_Atom_Stereo_Count	0
71151	Undefined_Atom_Stereo_Count	2
13721252	Isotope_Atom_Count	0
141583717	Molecular_Weight	587.9
10986159	Hydrogen_Bond_Donor_Count	1
731361	Hydrogen_Bond_Acceptor_Count	3
708	Hydrogen_Bond_Acceptor_Count	7
104903	Exact_Mass	624.41517492
13413802	Defined_Atom_Stereo_Count	0
22672893	Molecular_Weight	109.13
158038961	Hydrogen_Bond_Donor_Count	1
9935073	Hydrogen_Bond_Acceptor_Count	6
72168	Hydrogen_Bond_Acceptor_Count	7
65940	Hydrogen_Bond_Acceptor_Count	7
15461303	Structure_Complexity	682
11503972	Molecular_Weight	324.4
25011729	Isotope_Atom_Count	0
83134	Mono_Isotopic_Weight	223.10558726
66764517	Structure_Complexity	97.5
6957671	Covalent_Unit_Count	1
139075948	Defined_Atom_Stereo_Count	3
53240376	Defined_Atom_Stereo_Count	1
68438	Defined_Bond_Stereo_Count	0
7553	XLogP3-AA	0.4
274412	Exact_Mass	114.068079557
8050	Structure_Complexity	121
6975516	Mono_Isotopic_Weight	396.20490738
54617	Tautomer_Count	5
69807449	Mono_Isotopic_Weight	110.084398327
109640	TPSA	12.9
5921	TPSA	32.7
12866369	Undefined_Atom_Stereo_Count	2
4594639	XLogP3-AA	1.3
12248	Exact_Mass	84.057514874
16219580	Hydrogen_Bond_Acceptor_Count	6
28932	Undefined_Bond_Stereo_Count	0
446320	Tautomer_Count	3
20544682	Hydrogen_Bond_Acceptor_Count	2
87501539	Rotatable_Bond_Count	1
589692	Defined_Bond_Stereo_Count	0
534055	Hydrogen_Bond_Donor_Count	1
22083393	Molecular_Weight	100.08
270299	Isotope_Atom_Count	0
57468	Exact_Mass	348.2099045
6328144	Undefined_Atom_Stereo_Count	0
359778	Defined_Bond_Stereo_Count	0
10948203	Non-hydrogen_Atom_Count	7
84647662	Defined_Atom_Stereo_Count	0
91899080	Non-hydrogen_Atom_Count	16
12530	Isotope_Atom_Count	0
5282402	Non-hydrogen_Atom_Count	26
5281614	Covalent_Unit_Count	1
6213	Defined_Atom_Stereo_Count	0
135409350	Defined_Atom_Stereo_Count	0
19604021	Molecular_Weight	98.15
166653	Structure_Complexity	0
60529	Non-hydrogen_Atom_Count	19
91322204	XLogP3-AA	1.2
16627	Hydrogen_Bond_Acceptor_Count	2
26111	Isotope_Atom_Count	0
132992789	Structure_Complexity	102
4561	Hydrogen_Bond_Acceptor_Count	2
8366	Undefined_Atom_Stereo_Count	1
137699165	XLogP3-AA	4.3
18518868	Hydrogen_Bond_Acceptor_Count	3
12529661	Total_Formal_Charge	0
9519	Structure_Complexity	93.6
57800	Rotatable_Bond_Count	5
90355769	Hydrogen_Bond_Donor_Count	1
3488	Defined_Atom_Stereo_Count	0
90184753	Mono_Isotopic_Weight	115.063328530
94154	Mono_Isotopic_Weight	152.06847348
12210211	Undefined_Bond_Stereo_Count	0
72429	Defined_Atom_Stereo_Count	3
72545257	Undefined_Bond_Stereo_Count	0
54789	Tautomer_Count	1
13371699	Rotatable_Bond_Count	12
69088	Hydrogen_Bond_Donor_Count	1
6234	Hydrogen_Bond_Acceptor_Count	3
1256	XLogP3-AA	2.7
20205172	Hydrogen_Bond_Donor_Count	1
16049090	Isotope_Atom_Count	0
9830	Molecular_Weight	223.58
133612055	Hydrogen_Bond_Donor_Count	8
59015080	Structure_Complexity	382
13946	Hydrogen_Bond_Donor_Count	1
129195194	Molecular_Weight	114.15
24180719	Non-hydrogen_Atom_Count	27
66082	Undefined_Bond_Stereo_Count	0
52911611	TPSA	88
5431	Total_Formal_Charge	0
6435207	Exact_Mass	400.18858861
111314	Defined_Bond_Stereo_Count	0
69674281	Structure_Complexity	112
348	Rotatable_Bond_Count	5
179394	Structure_Complexity	187
5287620	Structure_Complexity	388
24663	Exact_Mass	712.36700646
6534	Undefined_Bond_Stereo_Count	0
14671256	Non-hydrogen_Atom_Count	17
67615455	TPSA	110
640997	Isotope_Atom_Count	0
40753	Defined_Bond_Stereo_Count	0
23678802	Undefined_Bond_Stereo_Count	0
55113	Structure_Complexity	300
69437	Exact_Mass	332.156500638
194	Covalent_Unit_Count	1
12511868	Isotope_Atom_Count	0
5742832	Defined_Atom_Stereo_Count	2
15032	Total_Formal_Charge	0
87468828	Total_Formal_Charge	0
23519852	Covalent_Unit_Count	1
60196305	Structure_Complexity	533
23034861	Covalent_Unit_Count	1
4112	Mono_Isotopic_Weight	454.17131583
61899	Undefined_Bond_Stereo_Count	0
260809	Non-hydrogen_Atom_Count	9
3464	Structure_Complexity	265
232446	XLogP3-AA	5.4
54574891	TPSA	26
139612467	Molecular_Weight	100.12
82717	TPSA	115
3037082	Non-hydrogen_Atom_Count	31
46205737	Rotatable_Bond_Count	19
4460	Undefined_Atom_Stereo_Count	11
12271363	Structure_Complexity	137
67103	Non-hydrogen_Atom_Count	22
146921	Defined_Atom_Stereo_Count	0
1498	Isotope_Atom_Count	0
89159	XLogP3-AA	1.6
54325138	Mono_Isotopic_Weight	99.032028402
5281235	Exact_Mass	552.433116406
736715	Total_Formal_Charge	0
85843728	Hydrogen_Bond_Donor_Count	0
9925873	TPSA	50.7
448055	Hydrogen_Bond_Donor_Count	1
11457683	Isotope_Atom_Count	0
10724	TPSA	17.1
80108693	Structure_Complexity	70.1
5834	Exact_Mass	402.20423867
6918473	Exact_Mass	1163.56062088
91688	Exact_Mass	281.0407907
18656	Undefined_Bond_Stereo_Count	0
6437358	Molecular_Weight	625.7
21379	Undefined_Bond_Stereo_Count	0
478951	Rotatable_Bond_Count	6
143339316	TPSA	0
6451155	Mono_Isotopic_Weight	295.12084340
11251	XLogP3	0.8
31018	Hydrogen_Bond_Acceptor_Count	2
94330	Tautomer_Count	10
10496498	Tautomer_Count	1
45116616	Hydrogen_Bond_Acceptor_Count	2
13766702	Hydrogen_Bond_Donor_Count	0
10180201	Isotope_Atom_Count	0
24749711	Total_Formal_Charge	0
443654	Non-hydrogen_Atom_Count	33
14989493	Undefined_Atom_Stereo_Count	0
61	Molecular_Weight	266.04
54150248	Undefined_Atom_Stereo_Count	0
62705861	Non-hydrogen_Atom_Count	35
3655	Hydrogen_Bond_Donor_Count	2
17904790	XLogP3-AA	0.7
79497	Mono_Isotopic_Weight	176.120115130
5362115	Hydrogen_Bond_Acceptor_Count	6
122449120	Rotatable_Bond_Count	0
13809010	Rotatable_Bond_Count	1
18691	Rotatable_Bond_Count	3
628181	Exact_Mass	370.21440943
4019	Defined_Atom_Stereo_Count	0
74255	TPSA	134
18410493	Hydrogen_Bond_Acceptor_Count	1
359	Covalent_Unit_Count	1
3331	Undefined_Atom_Stereo_Count	0
9527	XLogP3-AA	2.9
44560703	Mono_Isotopic_Weight	331.09906259
9546757	Defined_Atom_Stereo_Count	1
14113	Defined_Bond_Stereo_Count	0
437570	Mono_Isotopic_Weight	100.027277375
299882	Rotatable_Bond_Count	0
9271	Isotope_Atom_Count	0
57312199	Undefined_Bond_Stereo_Count	0
10358218	Covalent_Unit_Count	1
91563	Undefined_Bond_Stereo_Count	0
21419483	Hydrogen_Bond_Acceptor_Count	3
12498	Hydrogen_Bond_Donor_Count	4
53943526	Exact_Mass	99.032028402
564980	XLogP3-AA	0.7
56955180	XLogP3-AA	3.5
144404363	TPSA	46.3
12412266	Undefined_Bond_Stereo_Count	0
97735	Mono_Isotopic_Weight	143.094628657
57401570	Exact_Mass	370.10996162
12657448	Undefined_Bond_Stereo_Count	0
182585	Covalent_Unit_Count	1
10027781	Undefined_Bond_Stereo_Count	0
21805409	Non-hydrogen_Atom_Count	7
4336361	Undefined_Bond_Stereo_Count	0
84078	Rotatable_Bond_Count	8
26951	Isotope_Atom_Count	0
88983	Mono_Isotopic_Weight	226.13174244
24203	Molecular_Weight	141.959
22153558	Defined_Bond_Stereo_Count	0
130991	Structure_Complexity	1150
699570	Total_Formal_Charge	0
36422	Covalent_Unit_Count	2
78131	Undefined_Bond_Stereo_Count	0
17892	XLogP3-AA	4.6
5281758	Total_Formal_Charge	0
60864	Exact_Mass	373.1444713
4172	TPSA	177
3793	Non-hydrogen_Atom_Count	49
300312	Hydrogen_Bond_Acceptor_Count	1
139158	Isotope_Atom_Count	0
13483800	Undefined_Bond_Stereo_Count	0
9650	Exact_Mass	260.11609238
57888	Undefined_Bond_Stereo_Count	0
449346	Non-hydrogen_Atom_Count	13
135421876	Non-hydrogen_Atom_Count	10
123963	Mono_Isotopic_Weight	204.089877630
285258	Exact_Mass	331.97479102
41793	Non-hydrogen_Atom_Count	20
1359	Non-hydrogen_Atom_Count	15
286157	Non-hydrogen_Atom_Count	19
14586	Rotatable_Bond_Count	0
54584708	Molecular_Weight	430.4
6999801	Molecular_Weight	102.17
20767640	TPSA	43.1
22754947	Undefined_Bond_Stereo_Count	0
7926	Exact_Mass	250.05410052
92140	Structure_Complexity	1230
5284	XLogP3-AA	7
86112	Tautomer_Count	1
91599894	Defined_Atom_Stereo_Count	0
53319933	Molecular_Weight	242.30
89525526	Molecular_Weight	136.19
101171	Exact_Mass	114.068079557
68494	Mono_Isotopic_Weight	286.05897142
60196334	Undefined_Atom_Stereo_Count	0
127516	Structure_Complexity	775
16205480	Hydrogen_Bond_Acceptor_Count	3
22239085	Exact_Mass	372.16944839
448166	Mono_Isotopic_Weight	103.063328530
671690	TPSA	29.5
62219	Undefined_Bond_Stereo_Count	0
29199	Molecular_Weight	940.7
21572608	Covalent_Unit_Count	1
9912381	Covalent_Unit_Count	1
6918155	Defined_Bond_Stereo_Count	0
72909	Covalent_Unit_Count	1
49928	Covalent_Unit_Count	1
3015009	Covalent_Unit_Count	1
443366	XLogP3-AA	2.2
44393	XLogP3-AA	7
12556904	TPSA	37.3
31416	TPSA	58.2
68060125	Non-hydrogen_Atom_Count	35
61671	Exact_Mass	183.892924
6433402	Isotope_Atom_Count	0
36811	Isotope_Atom_Count	0
57647726	Mono_Isotopic_Weight	324.183778013
357	Defined_Atom_Stereo_Count	0
10950142	Non-hydrogen_Atom_Count	32
12871456	Defined_Atom_Stereo_Count	0
18364965	Isotope_Atom_Count	0
90657760	Molecular_Weight	341.4
656917	Isotope_Atom_Count	0
9844	Isotope_Atom_Count	0
71584544	Hydrogen_Bond_Acceptor_Count	6
16072155	Mono_Isotopic_Weight	582.3085169
12755810	Defined_Atom_Stereo_Count	0
2165	Mono_Isotopic_Weight	355.1451400
138149697	Total_Formal_Charge	0
56440	XLogP3-AA	4.1
24913	Mono_Isotopic_Weight	172.02893114
150899	Exact_Mass	240.187800766
9020	Structure_Complexity	81.6
41881	Undefined_Atom_Stereo_Count	0
2734646	Tautomer_Count	1
132277694	Rotatable_Bond_Count	1
7945	Undefined_Atom_Stereo_Count	0
656609	Non-hydrogen_Atom_Count	33
21800	Tautomer_Count	6
78579	Undefined_Bond_Stereo_Count	0
55007	Molecular_Weight	304.3
41955	Isotope_Atom_Count	0
167305	Defined_Bond_Stereo_Count	0
19588	Rotatable_Bond_Count	4
70751	Exact_Mass	141.053826475
69503325	Hydrogen_Bond_Donor_Count	4
31393	Isotope_Atom_Count	0
139075087	Undefined_Bond_Stereo_Count	0
51585	Mono_Isotopic_Weight	224.08710092
135473834	Undefined_Bond_Stereo_Count	0
3283968	Structure_Complexity	74.1
16070030	Rotatable_Bond_Count	0
70032924	Non-hydrogen_Atom_Count	7
71713950	Structure_Complexity	543
801	Molecular_Weight	174.18
40520	TPSA	46.6
5870	Undefined_Bond_Stereo_Count	0
13215601	Undefined_Bond_Stereo_Count	0
132281917	Total_Formal_Charge	0
518713	Undefined_Bond_Stereo_Count	0
2658	Hydrogen_Bond_Donor_Count	2
9885981	Hydrogen_Bond_Acceptor_Count	5
22762494	Total_Formal_Charge	0
88043	Exact_Mass	150.079312947
345367	Non-hydrogen_Atom_Count	8
87870846	Hydrogen_Bond_Donor_Count	2
12524131	Total_Formal_Charge	0
11638363	Defined_Bond_Stereo_Count	0
91984	Non-hydrogen_Atom_Count	14
3054073	Rotatable_Bond_Count	0
12019	Structure_Complexity	23.1
5702628	Total_Formal_Charge	0
129864896	Rotatable_Bond_Count	1
5394	Tautomer_Count	2
73854	Rotatable_Bond_Count	13
657250	Non-hydrogen_Atom_Count	47
11241	XLogP3-AA	2.1
55286809	Non-hydrogen_Atom_Count	8
16134409	Mono_Isotopic_Weight	1891.84171491
139588352	Exact_Mass	1314.32434128
45356872	Exact_Mass	545.26248182
184	Covalent_Unit_Count	1
8558	Exact_Mass	390.27700969
34001	Undefined_Atom_Stereo_Count	0
6451	Rotatable_Bond_Count	2
101718251	Total_Formal_Charge	0
9830667	Undefined_Bond_Stereo_Count	0
51683	TPSA	63.9
13217907	Rotatable_Bond_Count	1
53762327	Defined_Bond_Stereo_Count	0
10558611	Molecular_Weight	120.11
10154017	Molecular_Weight	103.16
2728270	Undefined_Atom_Stereo_Count	3
55253668	Undefined_Atom_Stereo_Count	0
139595130	Hydrogen_Bond_Acceptor_Count	16
69982	XLogP3	1.7
53997645	Rotatable_Bond_Count	2
19910037	Undefined_Bond_Stereo_Count	0
52716	Molecular_Weight	399.8
5366149	Structure_Complexity	70.1
1344	Mono_Isotopic_Weight	114.115698455
156670	Total_Formal_Charge	0
76372196	Undefined_Atom_Stereo_Count	1
54687420	Undefined_Bond_Stereo_Count	0
8732	Rotatable_Bond_Count	4
121026	Isotope_Atom_Count	0
165154846	Hydrogen_Bond_Acceptor_Count	2
34481	XLogP3-AA	4.1
9940864	Structure_Complexity	1460
146156212	Structure_Complexity	969
12606301	Defined_Atom_Stereo_Count	0
24967621	Undefined_Atom_Stereo_Count	0
22097456	Isotope_Atom_Count	0
52951881	Hydrogen_Bond_Acceptor_Count	2
38307	Defined_Bond_Stereo_Count	0
24958200	Total_Formal_Charge	0
58935140	Covalent_Unit_Count	1
56603728	Undefined_Atom_Stereo_Count	1
7940	Total_Formal_Charge	0
42185	TPSA	65.1
20499147	Hydrogen_Bond_Acceptor_Count	2
87162901	TPSA	47.6
40704	Structure_Complexity	596
24896135	Covalent_Unit_Count	1
123611214	Covalent_Unit_Count	1
6240	Hydrogen_Bond_Acceptor_Count	3
23665591	Exact_Mass	237.00395384
90768424	Undefined_Atom_Stereo_Count	2
77524	XLogP3-AA	1.2
129628904	Exact_Mass	324.95052
11429	Isotope_Atom_Count	0
3022709	Exact_Mass	88.052429494
85248	Rotatable_Bond_Count	2
703965	Mono_Isotopic_Weight	218.05138412
5767	Molecular_Weight	376.5
5709	Covalent_Unit_Count	1
17940308	Hydrogen_Bond_Donor_Count	0
129694466	Molecular_Weight	952.4
5368451	TPSA	0
136257950	TPSA	209
2717	Mono_Isotopic_Weight	273.0226421
27902	Isotope_Atom_Count	0
316249	Undefined_Bond_Stereo_Count	0
133832	Undefined_Bond_Stereo_Count	0
5884	Mono_Isotopic_Weight	745.09110351
2734231	Rotatable_Bond_Count	15
6326281	Hydrogen_Bond_Acceptor_Count	2
6433154	Tautomer_Count	25
449093	Rotatable_Bond_Count	4
12515628	Defined_Bond_Stereo_Count	0
68746916	Defined_Bond_Stereo_Count	0
13661	Undefined_Atom_Stereo_Count	0
298082	Molecular_Weight	112.13
75836	Mono_Isotopic_Weight	214.193280068
46936772	Hydrogen_Bond_Acceptor_Count	20
6093241	Tautomer_Count	1
8124	Covalent_Unit_Count	1
92546	Covalent_Unit_Count	1
30976	Mono_Isotopic_Weight	150.06539422
129626367	TPSA	87.1
90973	Defined_Atom_Stereo_Count	0
5964319	Defined_Bond_Stereo_Count	1
69497	Exact_Mass	232.05580079
9589475	Defined_Bond_Stereo_Count	1
24883860	Molecular_Weight	2194.6
25273208	Hydrogen_Bond_Acceptor_Count	3
11137890	Undefined_Atom_Stereo_Count	0
55067	Molecular_Weight	262.8
58381825	Exact_Mass	111.99828592
11973	Isotope_Atom_Count	0
155074889	Exact_Mass	110.059246208
11642048	Structure_Complexity	678
36834	Total_Formal_Charge	0
34744	Defined_Bond_Stereo_Count	0
24635	Hydrogen_Bond_Acceptor_Count	2
3687	Structure_Complexity	386
10943	Hydrogen_Bond_Donor_Count	0
12724643	Molecular_Weight	112.17
23662384	Mono_Isotopic_Weight	142.02420298
11502243	Exact_Mass	401.0877226
24434	Undefined_Bond_Stereo_Count	0
115034	Undefined_Atom_Stereo_Count	0
9898801	Defined_Bond_Stereo_Count	0
10894	Undefined_Atom_Stereo_Count	0
120393	XLogP3	2.8
1094	Hydrogen_Bond_Donor_Count	4
7348	Total_Formal_Charge	0
14365987	Mono_Isotopic_Weight	112.016043985
123769339	Exact_Mass	100.100048391
12432039	Non-hydrogen_Atom_Count	6
129652530	Hydrogen_Bond_Acceptor_Count	4
70006	Undefined_Atom_Stereo_Count	0
5284580	Exact_Mass	968.49808019
3064425	Rotatable_Bond_Count	5
11477442	Defined_Bond_Stereo_Count	0
34766	Structure_Complexity	199
41432	Molecular_Weight	172.19
16197725	Undefined_Atom_Stereo_Count	0
151	Exact_Mass	314.05151706
9806190	Molecular_Weight	505.6
70695	Structure_Complexity	42
75605138	Hydrogen_Bond_Donor_Count	2
141276996	XLogP3-AA	0.7
18671478	Rotatable_Bond_Count	1
643835	Structure_Complexity	35.3
11043	Molecular_Weight	351.12
13740445	TPSA	25.2
6437071	Total_Formal_Charge	0
177708	Rotatable_Bond_Count	0
93083	Rotatable_Bond_Count	1
165901	Defined_Atom_Stereo_Count	0
281478	Mono_Isotopic_Weight	84.057514874
68710	TPSA	28.6
134812042	Total_Formal_Charge	0
63996	Structure_Complexity	469
18711507	Undefined_Atom_Stereo_Count	2
44560574	Hydrogen_Bond_Acceptor_Count	6
13848132	Total_Formal_Charge	0
5452	Total_Formal_Charge	0
3035569	Isotope_Atom_Count	0
439647	Mono_Isotopic_Weight	351.0695923
852344	Molecular_Weight	219.27
1783	Defined_Atom_Stereo_Count	0
9926639	Total_Formal_Charge	0
25102938	Undefined_Bond_Stereo_Count	0
94777	Exact_Mass	257.10519334
54758501	Defined_Atom_Stereo_Count	0
91151945	Hydrogen_Bond_Acceptor_Count	11
153852218	XLogP3-AA	0
56661920	Undefined_Atom_Stereo_Count	0
21070	Rotatable_Bond_Count	7
3089	Exact_Mass	391.13881940
16102855	Non-hydrogen_Atom_Count	35
46625	Undefined_Atom_Stereo_Count	0
88589623	Undefined_Bond_Stereo_Count	0
483559	Non-hydrogen_Atom_Count	30
1299	Isotope_Atom_Count	0
83224	Non-hydrogen_Atom_Count	15
11158353	Exact_Mass	396.0464096
82650926	Total_Formal_Charge	0
122760	Defined_Atom_Stereo_Count	0
21723	Exact_Mass	502.077368
535031	Hydrogen_Bond_Donor_Count	0
51017507	Defined_Bond_Stereo_Count	1
3056	Covalent_Unit_Count	1
5047019	Non-hydrogen_Atom_Count	12
17155	Isotope_Atom_Count	0
71459167	TPSA	85.8
61347	Mono_Isotopic_Weight	124.100048391
53936528	Rotatable_Bond_Count	3
42627755	Hydrogen_Bond_Donor_Count	4
11238212	Hydrogen_Bond_Donor_Count	2
99564	Molecular_Weight	137.18
98043899	Undefined_Bond_Stereo_Count	0
58265178	Defined_Bond_Stereo_Count	0
546259	Hydrogen_Bond_Acceptor_Count	1
135421876	Mono_Isotopic_Weight	137.03375974
6723	Tautomer_Count	4
4119106	Non-hydrogen_Atom_Count	12
14012	Molecular_Weight	229.13
148931549	Defined_Bond_Stereo_Count	1
50925625	TPSA	151
11787114	Non-hydrogen_Atom_Count	47
156519226	Hydrogen_Bond_Acceptor_Count	1
14543958	Hydrogen_Bond_Acceptor_Count	6
6521	Defined_Bond_Stereo_Count	0
3036746	Hydrogen_Bond_Donor_Count	1
63826	Undefined_Atom_Stereo_Count	0
74328	Structure_Complexity	106
73416227	Defined_Atom_Stereo_Count	4
135449517	Hydrogen_Bond_Donor_Count	4
43139	Isotope_Atom_Count	0
71322980	Undefined_Atom_Stereo_Count	0
97091	XLogP3	1.6
9847836	Exact_Mass	476.24866389
149697	Covalent_Unit_Count	1
585	Defined_Bond_Stereo_Count	0
656604	Undefined_Bond_Stereo_Count	0
44455730	Undefined_Atom_Stereo_Count	0
140430	Rotatable_Bond_Count	0
20561708	Defined_Atom_Stereo_Count	0
19935381	Structure_Complexity	118
57060020	Isotope_Atom_Count	0
129831313	Undefined_Atom_Stereo_Count	0
12865495	Non-hydrogen_Atom_Count	8
17754081	Structure_Complexity	98
6289	Structure_Complexity	516
3083634	Mono_Isotopic_Weight	180.078644241
85867	Molecular_Weight	308.42
62374	Tautomer_Count	5
25418	Exact_Mass	88.063662883
533909	Undefined_Atom_Stereo_Count	0
64862	Undefined_Bond_Stereo_Count	0
36688207	TPSA	40.1
89748954	XLogP3-AA	1.6
455798	TPSA	138
3036222	Structure_Complexity	355
44	Structure_Complexity	91.8
4223	Covalent_Unit_Count	1
5283748	Hydrogen_Bond_Acceptor_Count	3
69301	Mono_Isotopic_Weight	168.078644241
67379186	Covalent_Unit_Count	1
97341	Molecular_Weight	96.13
9112	Defined_Atom_Stereo_Count	0
4195974	Undefined_Bond_Stereo_Count	0
1803	Molecular_Weight	243.22
13444041	Non-hydrogen_Atom_Count	8
20055509	Isotope_Atom_Count	0
138393806	Covalent_Unit_Count	1
657251	Rotatable_Bond_Count	4
53747824	TPSA	26.3
19013328	Molecular_Weight	110.11
516875	Non-hydrogen_Atom_Count	6
90693263	XLogP3-AA	1.8
14919832	Defined_Atom_Stereo_Count	0
101707	Non-hydrogen_Atom_Count	18
15909	Exact_Mass	146.073164938
58373	Mono_Isotopic_Weight	265.110278721
51432351	Undefined_Atom_Stereo_Count	0
2223	Undefined_Atom_Stereo_Count	1
13115325	Hydrogen_Bond_Acceptor_Count	0
50397	Non-hydrogen_Atom_Count	12
35267	Isotope_Atom_Count	0
20607916	Defined_Atom_Stereo_Count	0
693959	XLogP3-AA	2.9
4083	Isotope_Atom_Count	0
6441265	Structure_Complexity	1880
21138	Molecular_Weight	259.34
11954389	Rotatable_Bond_Count	5
97669	Mono_Isotopic_Weight	304.13107373
16229	Defined_Bond_Stereo_Count	0
54178371	Molecular_Weight	99.13
101995634	Exact_Mass	460.20971797
6917698	Defined_Atom_Stereo_Count	2
5521	Total_Formal_Charge	0
5355732	Hydrogen_Bond_Donor_Count	0
40550	Defined_Atom_Stereo_Count	0
43708	Non-hydrogen_Atom_Count	34
54786	Non-hydrogen_Atom_Count	28
122433	Total_Formal_Charge	0
6913	Exact_Mass	135.104799419
740525	Molecular_Weight	285.4
91759534	Rotatable_Bond_Count	2
72015	Undefined_Atom_Stereo_Count	0
97783	Defined_Bond_Stereo_Count	0
643327	Hydrogen_Bond_Acceptor_Count	3
45933929	Defined_Atom_Stereo_Count	3
130144234	Molecular_Weight	96.13
51577	Mono_Isotopic_Weight	207.11067264
66201	Mono_Isotopic_Weight	98.036779430
76318728	TPSA	18.5
3364	Defined_Bond_Stereo_Count	0
54583934	Exact_Mass	286.0872908
101254311	Hydrogen_Bond_Acceptor_Count	6
16547	Undefined_Atom_Stereo_Count	0
3055171	Rotatable_Bond_Count	4
53698003	Rotatable_Bond_Count	0
2593	Defined_Bond_Stereo_Count	0
5281969	Defined_Atom_Stereo_Count	0
180624	Defined_Bond_Stereo_Count	0
452126	Defined_Bond_Stereo_Count	0
71683048	Defined_Atom_Stereo_Count	0
79302	Structure_Complexity	132
133662562	Total_Formal_Charge	0
7312	Undefined_Bond_Stereo_Count	0
9212	Total_Formal_Charge	0
15731	Exact_Mass	186.068079557
17517	Total_Formal_Charge	0
35898	Defined_Bond_Stereo_Count	0
9778	TPSA	0
10855	TPSA	76.8
6328250	Structure_Complexity	266
11126188	Rotatable_Bond_Count	1
51397515	Exact_Mass	545.09131438
1257	Undefined_Atom_Stereo_Count	2
70421410	Defined_Bond_Stereo_Count	0
586	Hydrogen_Bond_Acceptor_Count	3
24776140	Undefined_Bond_Stereo_Count	0
15739356	Structure_Complexity	127
101019202	Hydrogen_Bond_Acceptor_Count	8
60873	Defined_Bond_Stereo_Count	0
5113032	Molecular_Weight	248.71
73553918	XLogP3-AA	2.4
2737403	Isotope_Atom_Count	0
145278326	Defined_Atom_Stereo_Count	0
5400866	Isotope_Atom_Count	0
3086172	Molecular_Weight	416.3
9319	Hydrogen_Bond_Donor_Count	0
11274968	TPSA	17.1
1234	Hydrogen_Bond_Donor_Count	0
550925	Hydrogen_Bond_Acceptor_Count	3
637922	Undefined_Bond_Stereo_Count	0
54688261	Covalent_Unit_Count	1
109325	Non-hydrogen_Atom_Count	13
13068890	Non-hydrogen_Atom_Count	8
53387026	Defined_Bond_Stereo_Count	0
168924	Hydrogen_Bond_Donor_Count	0
53981464	Defined_Atom_Stereo_Count	0
25247	Defined_Atom_Stereo_Count	0
13394149	Mono_Isotopic_Weight	429.05183761
406870	Isotope_Atom_Count	0
22674	Hydrogen_Bond_Donor_Count	1
61057	Non-hydrogen_Atom_Count	13
5259899	Rotatable_Bond_Count	4
49836027	Undefined_Atom_Stereo_Count	0
7408	Structure_Complexity	74.6
92855	Defined_Atom_Stereo_Count	6
65667	XLogP3-AA	3.1
64819	Defined_Atom_Stereo_Count	0
439520	XLogP3-AA	3.6
40537366	Isotope_Atom_Count	0
67631	Hydrogen_Bond_Donor_Count	0
37927	Undefined_Bond_Stereo_Count	0
442882	Non-hydrogen_Atom_Count	27
7813	Mono_Isotopic_Weight	107.073499291
1379	Mono_Isotopic_Weight	358.30830982
398739	Molecular_Weight	337.34
12229396	Undefined_Atom_Stereo_Count	0
6921	Total_Formal_Charge	0
86173	Defined_Atom_Stereo_Count	0
10409908	Undefined_Bond_Stereo_Count	0
76714	Covalent_Unit_Count	1
71452602	Covalent_Unit_Count	1
262	Isotope_Atom_Count	0
123322483	TPSA	47.6
11989572	Defined_Atom_Stereo_Count	0
86322	Tautomer_Count	9
11241863	Covalent_Unit_Count	1
51946	Exact_Mass	192.175224706
53315103	Non-hydrogen_Atom_Count	28
153238571	Molecular_Weight	180.16
43704	Non-hydrogen_Atom_Count	21
24946799	TPSA	108
7758	TPSA	26.3
5284594	Isotope_Atom_Count	0
121444434	Defined_Atom_Stereo_Count	0
86231890	TPSA	9.2
90087	Hydrogen_Bond_Donor_Count	0
9811493	Undefined_Atom_Stereo_Count	1
5355858	Tautomer_Count	1
20233665	Covalent_Unit_Count	1
190	Defined_Atom_Stereo_Count	0
91820207	Undefined_Bond_Stereo_Count	0
37404	XLogP3	3
58827	Exact_Mass	313.16779360
9808998	Mono_Isotopic_Weight	608.17545772
82593533	Defined_Bond_Stereo_Count	0
71489	Molecular_Weight	417.4
413539	Undefined_Bond_Stereo_Count	0
130429734	Undefined_Bond_Stereo_Count	0
14518773	Covalent_Unit_Count	1
21457	Undefined_Bond_Stereo_Count	0
11020241	Isotope_Atom_Count	0
77845	Defined_Atom_Stereo_Count	0
6454351	Undefined_Atom_Stereo_Count	0
17593	Hydrogen_Bond_Acceptor_Count	2
71171	Non-hydrogen_Atom_Count	48
26447	Mono_Isotopic_Weight	154.135765193
76403	Defined_Atom_Stereo_Count	0
5282547	Isotope_Atom_Count	0
20387201	Defined_Bond_Stereo_Count	0
611370	Hydrogen_Bond_Acceptor_Count	5
139670117	Undefined_Bond_Stereo_Count	0
882889	Molecular_Weight	325.5
71457269	Molecular_Weight	512.0
72775170	Exact_Mass	100.063662883
6432418	Exact_Mass	42.0469501914
196989	Non-hydrogen_Atom_Count	29
12358970	Undefined_Atom_Stereo_Count	0
11326613	Hydrogen_Bond_Acceptor_Count	4
46839993	Tautomer_Count	1
6324	TPSA	0
589692	Mono_Isotopic_Weight	146.059246208
2303651	Undefined_Bond_Stereo_Count	0
117265442	Defined_Atom_Stereo_Count	0
16220188	TPSA	108
5413034	Non-hydrogen_Atom_Count	19
37983	Exact_Mass	191.131014166
1198	Rotatable_Bond_Count	5
11414871	XLogP3-AA	4.3
142962972	Exact_Mass	110.073164938
20035	Total_Formal_Charge	0
3667129	Rotatable_Bond_Count	2
129672477	Hydrogen_Bond_Donor_Count	5
328	Mono_Isotopic_Weight	168.04225873
44310852	Isotope_Atom_Count	0
673664	Isotope_Atom_Count	0
517304	Exact_Mass	768.36893846
7179	Hydrogen_Bond_Donor_Count	0
5702129	Exact_Mass	314.1549764
283654	Isotope_Atom_Count	0
16219444	Undefined_Bond_Stereo_Count	0
5371002	Hydrogen_Bond_Donor_Count	0
4471892	Hydrogen_Bond_Acceptor_Count	2
3478696	Undefined_Bond_Stereo_Count	0
71449857	TPSA	70.1
127657	XLogP3-AA	4.4
10149311	Covalent_Unit_Count	1
9537	Undefined_Bond_Stereo_Count	0
131414	Mono_Isotopic_Weight	218.094294304
20871316	Exact_Mass	112.088815002
5015	Rotatable_Bond_Count	6
40704	Non-hydrogen_Atom_Count	32
40477	Mono_Isotopic_Weight	391.805444
24795070	Undefined_Atom_Stereo_Count	0
70697365	Defined_Atom_Stereo_Count	0
68120	Rotatable_Bond_Count	1
4344	Molecular_Weight	105.16
23263	Tautomer_Count	1
45227	Isotope_Atom_Count	0
318232	Mono_Isotopic_Weight	226.05897142
534838	Exact_Mass	94.053098200
7019016	Undefined_Atom_Stereo_Count	0
68955386	XLogP3-AA	0.5
12333	Hydrogen_Bond_Donor_Count	0
78704	Rotatable_Bond_Count	2
441348	Undefined_Atom_Stereo_Count	0
83270	Exact_Mass	191.094628657
44309990	Undefined_Atom_Stereo_Count	0
518727	Undefined_Bond_Stereo_Count	0
54069261	Undefined_Atom_Stereo_Count	1
11240453	Non-hydrogen_Atom_Count	8
91493	Rotatable_Bond_Count	7
87110828	Isotope_Atom_Count	0
91415017	Hydrogen_Bond_Acceptor_Count	1
11676981	XLogP3-AA	1.2
154992	Tautomer_Count	1
1219	Structure_Complexity	237
1246	Hydrogen_Bond_Donor_Count	1
3711	Molecular_Weight	416.4
23567801	TPSA	20.2
3734	Molecular_Weight	777.1
9808333	Exact_Mass	303.14705815
6326996	Defined_Bond_Stereo_Count	0
9794056	Defined_Atom_Stereo_Count	5
14989494	Defined_Bond_Stereo_Count	0
8880	Undefined_Bond_Stereo_Count	0
101219	Hydrogen_Bond_Acceptor_Count	2
91694113	Structure_Complexity	298
13506	Molecular_Weight	604.5
9803963	Defined_Atom_Stereo_Count	0
162883449	Rotatable_Bond_Count	6
2733797	Defined_Atom_Stereo_Count	5
87985	Mono_Isotopic_Weight	128.083729621
59185552	Covalent_Unit_Count	1
66509024	Non-hydrogen_Atom_Count	37
2088	Tautomer_Count	1
79437	Structure_Complexity	414
149396638	Hydrogen_Bond_Donor_Count	0
5795340	Mono_Isotopic_Weight	331.86837
11636326	Covalent_Unit_Count	1
6579	TPSA	43.1
49967	Covalent_Unit_Count	1
760	Undefined_Atom_Stereo_Count	0
63958	Defined_Bond_Stereo_Count	0
59696370	Defined_Bond_Stereo_Count	0
87220078	Undefined_Bond_Stereo_Count	0
81058	Tautomer_Count	3
4363	Isotope_Atom_Count	0
5288600	Total_Formal_Charge	0
84647603	Isotope_Atom_Count	0
8697	Covalent_Unit_Count	1
4469994	Hydrogen_Bond_Acceptor_Count	5
92775	Structure_Complexity	371
16161315	Hydrogen_Bond_Donor_Count	22
23555879	Non-hydrogen_Atom_Count	7
8501	Undefined_Atom_Stereo_Count	0
3623881	Isotope_Atom_Count	0
4943	Exact_Mass	178.135765193
360129	Non-hydrogen_Atom_Count	28
87833	TPSA	55.1
71072113	Defined_Atom_Stereo_Count	1
61212	Defined_Bond_Stereo_Count	0
44462985	Mono_Isotopic_Weight	92.062600255
14536538	XLogP3-AA	4.9
153373905	Total_Formal_Charge	0
86761	Covalent_Unit_Count	1
6957672	Isotope_Atom_Count	0
53304446	Total_Formal_Charge	0
72200758	Undefined_Atom_Stereo_Count	0
12816253	Undefined_Bond_Stereo_Count	0
5352	Hydrogen_Bond_Donor_Count	1
118	TPSA	43.1
122403924	Rotatable_Bond_Count	30
149528181	Covalent_Unit_Count	1
3284	Structure_Complexity	220
25190761	XLogP3-AA	3.6
672296	Non-hydrogen_Atom_Count	14
23629997	Covalent_Unit_Count	1
44668	Non-hydrogen_Atom_Count	17
49652	Non-hydrogen_Atom_Count	26
135412736	Covalent_Unit_Count	1
153812620	Structure_Complexity	86.6
36933	Structure_Complexity	320
6058	Structure_Complexity	10
624748	Rotatable_Bond_Count	0
115266	TPSA	37.3
83023	Molecular_Weight	433.46
16501	Rotatable_Bond_Count	3
137430	Defined_Bond_Stereo_Count	0
13754	Undefined_Atom_Stereo_Count	0
5288845	Mono_Isotopic_Weight	118.099379685
4946	Defined_Bond_Stereo_Count	0
8427	Non-hydrogen_Atom_Count	14
82763	Undefined_Atom_Stereo_Count	0
2734160	Undefined_Bond_Stereo_Count	0
614	Undefined_Bond_Stereo_Count	0
1125887	Molecular_Weight	419.3
101661938	Exact_Mass	662.10129752
20587930	Exact_Mass	100.052429494
146395	Hydrogen_Bond_Donor_Count	3
2734233	Isotope_Atom_Count	0
41245	Defined_Atom_Stereo_Count	0
243858	XLogP3-AA	0.6
10814237	Mono_Isotopic_Weight	470.33960994
66751	Rotatable_Bond_Count	9
42609799	Molecular_Weight	764.5
130023	Hydrogen_Bond_Donor_Count	2
373077	Isotope_Atom_Count	0
9819356	Undefined_Bond_Stereo_Count	0
7200	Isotope_Atom_Count	0
216454	TPSA	65.2
117846599	Rotatable_Bond_Count	4
75881	Rotatable_Bond_Count	6
11048104	Covalent_Unit_Count	2
3032806	Structure_Complexity	755
20384488	Hydrogen_Bond_Acceptor_Count	1
9537	Hydrogen_Bond_Acceptor_Count	2
92821	Covalent_Unit_Count	1
10290752	Total_Formal_Charge	0
44443933	Exact_Mass	486.20492463
8775	Molecular_Weight	366.08
124744578	Molecular_Weight	843.1
21576	Tautomer_Count	8
261407	Total_Formal_Charge	0
439378	Undefined_Bond_Stereo_Count	0
12990	Hydrogen_Bond_Acceptor_Count	1
13398	Hydrogen_Bond_Donor_Count	0
64200	Hydrogen_Bond_Acceptor_Count	2
34364440	Molecular_Weight	205.30
71248	Structure_Complexity	471
11983193	Undefined_Bond_Stereo_Count	0
44576048	TPSA	174
11171745	TPSA	46
73742	Mono_Isotopic_Weight	144.068748264
54136224	TPSA	41.8
125440	Mono_Isotopic_Weight	225.078978594
1471380	Undefined_Atom_Stereo_Count	0
44629543	TPSA	150
19095	Rotatable_Bond_Count	2
3086319	XLogP3-AA	2.6
76	Rotatable_Bond_Count	0
5389	XLogP3-AA	2.9
281818	Isotope_Atom_Count	0
18330928	Hydrogen_Bond_Acceptor_Count	1
543885	Covalent_Unit_Count	1
556209	Non-hydrogen_Atom_Count	7
24826	Mono_Isotopic_Weight	399.725060
44560703	Defined_Atom_Stereo_Count	0
545317	Molecular_Weight	226.27
99058	Non-hydrogen_Atom_Count	16
44629591	Exact_Mass	572.31581775
60153262	Mono_Isotopic_Weight	406.07042274
5375199	Covalent_Unit_Count	1
21585056	Undefined_Bond_Stereo_Count	0
441401	Molecular_Weight	337.35
11987858	Mono_Isotopic_Weight	99.032028402
16106	XLogP3-AA	2.8
101001097	Rotatable_Bond_Count	0
519514	Hydrogen_Bond_Acceptor_Count	2
38883	Exact_Mass	116.083729621
231880	Total_Formal_Charge	0
443131	Rotatable_Bond_Count	2
56270	Non-hydrogen_Atom_Count	18
11499271	Isotope_Atom_Count	0
5281006	Undefined_Bond_Stereo_Count	0
102551	Defined_Bond_Stereo_Count	0
599225	Hydrogen_Bond_Acceptor_Count	3
16211113	Rotatable_Bond_Count	3
71456722	Non-hydrogen_Atom_Count	35
121493082	Isotope_Atom_Count	0
73668	Defined_Bond_Stereo_Count	0
57345410	Isotope_Atom_Count	0
68469	XLogP3	2.5
13384041	Molecular_Weight	332.31
155448	TPSA	99.4
135419182	Non-hydrogen_Atom_Count	33
216287	Undefined_Bond_Stereo_Count	0
32350	Undefined_Atom_Stereo_Count	0
35740	TPSA	170
11431898	Defined_Bond_Stereo_Count	0
138772	Total_Formal_Charge	0
9855453	Isotope_Atom_Count	0
129712967	TPSA	88.4
447048	Hydrogen_Bond_Acceptor_Count	18
45791261	Hydrogen_Bond_Donor_Count	1
6712744	Covalent_Unit_Count	1
1123	Rotatable_Bond_Count	2
86015488	Structure_Complexity	153
25875	Structure_Complexity	382
76961009	Isotope_Atom_Count	0
70864	Isotope_Atom_Count	0
19876500	Isotope_Atom_Count	0
146158693	TPSA	58.9
5281670	XLogP3	1.5
68940	Isotope_Atom_Count	0
3084014	Covalent_Unit_Count	2
421392	Rotatable_Bond_Count	4
129791	Hydrogen_Bond_Donor_Count	2
6431	TPSA	0
91984	Molecular_Weight	191.31
10130220	Hydrogen_Bond_Donor_Count	5
53772109	Defined_Bond_Stereo_Count	0
126437	XLogP3-AA	2.2
76980	Undefined_Bond_Stereo_Count	0
61346	Isotope_Atom_Count	0
143392159	Mono_Isotopic_Weight	112.052429494
3459	Molecular_Weight	400.6
40218	Isotope_Atom_Count	0
9822866	Hydrogen_Bond_Acceptor_Count	3
448285	Molecular_Weight	359.9
76687	Structure_Complexity	445
20824	Hydrogen_Bond_Acceptor_Count	7
39897	Covalent_Unit_Count	2
54585032	Mono_Isotopic_Weight	211.063328530
91394869	Defined_Bond_Stereo_Count	0
55840	Defined_Bond_Stereo_Count	0
2832	Isotope_Atom_Count	0
65050	Tautomer_Count	3
3322	Defined_Bond_Stereo_Count	0
21615295	Exact_Mass	101.047678466
102232	TPSA	78.9
14912114	Molecular_Weight	106.16
18323	Rotatable_Bond_Count	2
13558	Molecular_Weight	128.25
91824766	Isotope_Atom_Count	0
130128864	Hydrogen_Bond_Acceptor_Count	2
3750	Non-hydrogen_Atom_Count	43
157920	Undefined_Atom_Stereo_Count	0
11957515	Defined_Bond_Stereo_Count	0
90397060	Mono_Isotopic_Weight	1201.84136802
178145	Non-hydrogen_Atom_Count	26
91810695	Hydrogen_Bond_Donor_Count	4
5584	Defined_Atom_Stereo_Count	0
5865	Hydrogen_Bond_Donor_Count	2
8038	Hydrogen_Bond_Acceptor_Count	2
3016164	TPSA	32.3
27447	Hydrogen_Bond_Donor_Count	3
57448758	Non-hydrogen_Atom_Count	46
2697	Hydrogen_Bond_Acceptor_Count	6
23616571	TPSA	45.6
111290	Isotope_Atom_Count	0
942119	Molecular_Weight	313.28
11349389	TPSA	61.8
59189978	Undefined_Atom_Stereo_Count	0
162895062	Rotatable_Bond_Count	3
75548	Molecular_Weight	130.19
87703	Total_Formal_Charge	0
11819055	Hydrogen_Bond_Acceptor_Count	2
71464628	Non-hydrogen_Atom_Count	30
7877	XLogP3-AA	1.1
5283742	Exact_Mass	416.32904526
22273215	Hydrogen_Bond_Acceptor_Count	2
4603	XLogP3-AA	1.1
6454823	Hydrogen_Bond_Donor_Count	1
2734163	Isotope_Atom_Count	0
926	Non-hydrogen_Atom_Count	44
6850744	Covalent_Unit_Count	1
79446	TPSA	18.5
23685849	Defined_Bond_Stereo_Count	0
12200	Mono_Isotopic_Weight	182.01750053
79154	Hydrogen_Bond_Donor_Count	0
6442177	Hydrogen_Bond_Acceptor_Count	14
3776755	Rotatable_Bond_Count	0
130866606	Undefined_Atom_Stereo_Count	2
29494	Defined_Atom_Stereo_Count	0
10331863	Mono_Isotopic_Weight	240.10627659
734373	TPSA	96.2
53353	Total_Formal_Charge	0
24086	Hydrogen_Bond_Acceptor_Count	5
11715743	Structure_Complexity	362
9967941	Defined_Bond_Stereo_Count	0
24848367	Hydrogen_Bond_Acceptor_Count	3
52942212	Exact_Mass	443.12683226
218089	Hydrogen_Bond_Acceptor_Count	8
10996966	Mono_Isotopic_Weight	96.068748264
9920369	Isotope_Atom_Count	0
444450	Hydrogen_Bond_Acceptor_Count	10
123167	XLogP3	3.4
8797	Hydrogen_Bond_Donor_Count	0
57336513	Covalent_Unit_Count	2
131966764	Isotope_Atom_Count	0
9892539	Hydrogen_Bond_Acceptor_Count	7
9313	Defined_Bond_Stereo_Count	0
11650986	Hydrogen_Bond_Donor_Count	4
20811708	Defined_Bond_Stereo_Count	0
94034	Total_Formal_Charge	0
15950003	Hydrogen_Bond_Donor_Count	1
10313134	Total_Formal_Charge	0
12648672	Molecular_Weight	102.13
641245	Undefined_Bond_Stereo_Count	0
76658	Structure_Complexity	192
1897	Isotope_Atom_Count	0
3355	Hydrogen_Bond_Acceptor_Count	10
9949641	Covalent_Unit_Count	1
81415695	Mono_Isotopic_Weight	112.088815002
259577	Covalent_Unit_Count	1
6112	Undefined_Atom_Stereo_Count	0
70662473	Defined_Bond_Stereo_Count	0
23724509	Mono_Isotopic_Weight	1021.47316054
142559332	Undefined_Bond_Stereo_Count	0
3851247	Hydrogen_Bond_Acceptor_Count	12
104865206	Molecular_Weight	117.15
21867154	Defined_Atom_Stereo_Count	0
13166771	TPSA	9.2
642801	Undefined_Bond_Stereo_Count	0
9909623	Non-hydrogen_Atom_Count	30
442495	Structure_Complexity	197
46231556	Covalent_Unit_Count	1
53346602	Molecular_Weight	116.11
449107	Structure_Complexity	708
123592678	Undefined_Atom_Stereo_Count	2
57394212	Molecular_Weight	481.5
45934355	Exact_Mass	324.183778013
558363	Structure_Complexity	50.1
518733	Molecular_Weight	101.19
20062980	Mono_Isotopic_Weight	117.01385337
21327	Tautomer_Count	1
153386860	Structure_Complexity	105
13791578	Covalent_Unit_Count	1
47318	TPSA	109
87081618	Defined_Atom_Stereo_Count	0
66755	Defined_Atom_Stereo_Count	0
54493	Exact_Mass	356.1866705
18755331	Rotatable_Bond_Count	1
5318	Non-hydrogen_Atom_Count	24
141168949	XLogP3-AA	0.7
2755709	Defined_Bond_Stereo_Count	0
13023332	Hydrogen_Bond_Acceptor_Count	3
34286	Undefined_Atom_Stereo_Count	0
135424354	Defined_Bond_Stereo_Count	0
62705687	Mono_Isotopic_Weight	458.13142291
76956224	Non-hydrogen_Atom_Count	31
73835	Structure_Complexity	117
5460337	XLogP3	1.9
15558642	Molecular_Weight	177.22
2734580	Defined_Atom_Stereo_Count	0
70683717	Non-hydrogen_Atom_Count	33
12344797	Non-hydrogen_Atom_Count	8
546996	Tautomer_Count	1
25271887	Hydrogen_Bond_Acceptor_Count	2
10267087	Undefined_Bond_Stereo_Count	0
7408	Isotope_Atom_Count	0
8027	Undefined_Atom_Stereo_Count	0
46073	XLogP3-AA	1
57404185	Defined_Bond_Stereo_Count	0
6806	Total_Formal_Charge	0
139980	Total_Formal_Charge	0
65404	Non-hydrogen_Atom_Count	38
57516046	Total_Formal_Charge	0
91933845	Hydrogen_Bond_Acceptor_Count	7
97991	Isotope_Atom_Count	0
121097	Hydrogen_Bond_Acceptor_Count	5
417452	XLogP3	1.8
111	Hydrogen_Bond_Donor_Count	3
142994149	Isotope_Atom_Count	0
13761352	TPSA	9.2
12642439	Tautomer_Count	1
70400	Defined_Atom_Stereo_Count	0
22140765	Undefined_Bond_Stereo_Count	0
101194	Total_Formal_Charge	0
137170	Exact_Mass	122.073164938
10131269	Tautomer_Count	1
60359	Covalent_Unit_Count	1
5284329	Total_Formal_Charge	0
72941969	Molecular_Weight	4610
56663238	Non-hydrogen_Atom_Count	31
145721938	Rotatable_Bond_Count	10
24229456	Total_Formal_Charge	0
148191	Total_Formal_Charge	0
6329567	XLogP3-AA	3.9
9486	Defined_Bond_Stereo_Count	0
176872	Mono_Isotopic_Weight	957.58135632
320459	Isotope_Atom_Count	0
14254	Structure_Complexity	71.3
102472	Exact_Mass	232.15921703
5320250	TPSA	0
28610	Defined_Atom_Stereo_Count	0
30475	Defined_Bond_Stereo_Count	0
59281403	XLogP3-AA	2.9
14066	Hydrogen_Bond_Acceptor_Count	2
66059	Hydrogen_Bond_Donor_Count	1
61741273	Isotope_Atom_Count	0
2596	Exact_Mass	265.96909
10377751	Covalent_Unit_Count	1
20735704	Defined_Bond_Stereo_Count	0
21942990	Hydrogen_Bond_Donor_Count	0
13244862	Structure_Complexity	151
146395	Covalent_Unit_Count	3
23515124	Hydrogen_Bond_Donor_Count	3
11169	Exact_Mass	296.07516538
22308	Covalent_Unit_Count	1
7695	XLogP3	1.9
14626857	Molecular_Weight	559.7
143647928	Isotope_Atom_Count	0
163468867	Undefined_Bond_Stereo_Count	0
6971096	Exact_Mass	180.06338810
1769	Defined_Atom_Stereo_Count	0
920954	Rotatable_Bond_Count	2
135408964	Exact_Mass	452.2230560
82588	Tautomer_Count	2
9117	Hydrogen_Bond_Donor_Count	0
21998683	Undefined_Bond_Stereo_Count	0
91733938	XLogP3-AA	1.5
65815658	Undefined_Atom_Stereo_Count	1
10390836	Defined_Atom_Stereo_Count	0
71586806	Hydrogen_Bond_Acceptor_Count	2
130804	Defined_Bond_Stereo_Count	0
14518434	Total_Formal_Charge	0
12560918	Mono_Isotopic_Weight	100.052429494
26970	Undefined_Bond_Stereo_Count	0
6436449	Isotope_Atom_Count	0
2201	Rotatable_Bond_Count	1
55285230	Covalent_Unit_Count	1
5195	Molecular_Weight	187.28
7	Rotatable_Bond_Count	1
16219127	Defined_Bond_Stereo_Count	0
45972	Hydrogen_Bond_Acceptor_Count	2
70637	Non-hydrogen_Atom_Count	12
1932	Total_Formal_Charge	0
55297293	Molecular_Weight	98.14
105426931	Total_Formal_Charge	0
12271341	XLogP3-AA	0.5
1098	Non-hydrogen_Atom_Count	62
5281077	Hydrogen_Bond_Donor_Count	1
9793707	Rotatable_Bond_Count	0
18357	Mono_Isotopic_Weight	195.068413911
20653	Undefined_Atom_Stereo_Count	1
23390806	Isotope_Atom_Count	0
70260	Isotope_Atom_Count	0
2103	Molecular_Weight	810.5
2734179	Tautomer_Count	1
9794712	Defined_Bond_Stereo_Count	0
7516	Total_Formal_Charge	0
67704	Tautomer_Count	2
87532	Isotope_Atom_Count	0
86806	TPSA	199
57521916	Total_Formal_Charge	0
21359	Tautomer_Count	1
54404212	Non-hydrogen_Atom_Count	8
657202	Structure_Complexity	318
3082127	Hydrogen_Bond_Acceptor_Count	4
13059495	Defined_Atom_Stereo_Count	6
23667629	Hydrogen_Bond_Donor_Count	1
68736	Exact_Mass	223.06095954
5184	Tautomer_Count	1
574037	Hydrogen_Bond_Donor_Count	1
8104	Structure_Complexity	72.2
82650925	Non-hydrogen_Atom_Count	8
42754	Molecular_Weight	254.12
56842231	TPSA	355
10964421	XLogP3	1.6
16129878	Hydrogen_Bond_Acceptor_Count	46
72	Isotope_Atom_Count	0
566849	Undefined_Bond_Stereo_Count	0
75227	Rotatable_Bond_Count	1
69146	Hydrogen_Bond_Donor_Count	0
413538	Total_Formal_Charge	0
21312677	Defined_Bond_Stereo_Count	0
118197550	Hydrogen_Bond_Acceptor_Count	3
228506	Mono_Isotopic_Weight	140.02219199
4068533	Defined_Atom_Stereo_Count	0
7295	Structure_Complexity	52.8
23696271	Isotope_Atom_Count	0
91723653	Hydrogen_Bond_Acceptor_Count	0
59630744	TPSA	0
82095	Undefined_Atom_Stereo_Count	0
119097554	Hydrogen_Bond_Acceptor_Count	1
192925	Total_Formal_Charge	0
439182	Molecular_Weight	251.24
156619387	Defined_Bond_Stereo_Count	3
10497540	Rotatable_Bond_Count	4
9847219	Defined_Bond_Stereo_Count	1
87479093	Structure_Complexity	59.1
5280608	Non-hydrogen_Atom_Count	11
88077632	Undefined_Atom_Stereo_Count	0
54682461	Molecular_Weight	602.7
53652433	Isotope_Atom_Count	0
9963430	Mono_Isotopic_Weight	1100.68855578
64948	Exact_Mass	254.11676108
51029604	XLogP3-AA	1.5
84071885	TPSA	67.8
15589	Rotatable_Bond_Count	2
1878	Structure_Complexity	666
137319701	Non-hydrogen_Atom_Count	28
22466500	Hydrogen_Bond_Acceptor_Count	3
119085356	Undefined_Bond_Stereo_Count	0
449123	Molecular_Weight	674.7
55281352	Covalent_Unit_Count	1
21903911	Non-hydrogen_Atom_Count	7
4376	Hydrogen_Bond_Donor_Count	3
258618	TPSA	17.1
19986922	Hydrogen_Bond_Donor_Count	2
12734569	Defined_Bond_Stereo_Count	0
11636816	Undefined_Atom_Stereo_Count	0
22486676	Defined_Bond_Stereo_Count	0
62403	Hydrogen_Bond_Donor_Count	15
12423177	Undefined_Atom_Stereo_Count	0
70190	Rotatable_Bond_Count	1
5878	Molecular_Weight	306.4
14244	TPSA	37.3
74070	Hydrogen_Bond_Acceptor_Count	2
11578610	XLogP3-AA	3.9
122051	Hydrogen_Bond_Acceptor_Count	1
3889	TPSA	232
537344	Total_Formal_Charge	0
86811257	Hydrogen_Bond_Acceptor_Count	2
16760577	Defined_Bond_Stereo_Count	0
477	Rotatable_Bond_Count	8
71681471	Undefined_Bond_Stereo_Count	0
9543216	Defined_Atom_Stereo_Count	0
139590844	Covalent_Unit_Count	1
6537495	Molecular_Weight	266.53
38706	Defined_Atom_Stereo_Count	0
93011	Molecular_Weight	163.60
10246505	Hydrogen_Bond_Donor_Count	3
11194305	TPSA	67.5
123385940	Exact_Mass	110.073164938
15758	Hydrogen_Bond_Donor_Count	2
439224	Exact_Mass	226.10659032
21702858	Molecular_Weight	114.14
31472	Undefined_Atom_Stereo_Count	1
5460337	Defined_Bond_Stereo_Count	0
71676045	Molecular_Weight	390.4
20190	Structure_Complexity	273
22081149	Molecular_Weight	94.11
20055008	Defined_Atom_Stereo_Count	7
443310	Covalent_Unit_Count	1
8494	XLogP3	1.4
177955	Non-hydrogen_Atom_Count	16
10855428	Total_Formal_Charge	0
142106	Molecular_Weight	98.10
4714967	XLogP3	2.8
187888	Isotope_Atom_Count	0
121025	Mono_Isotopic_Weight	188.058577502
34192	Covalent_Unit_Count	1
5282138	Structure_Complexity	896
11430856	Mono_Isotopic_Weight	450.26646226
33899	Defined_Bond_Stereo_Count	0
46911956	Total_Formal_Charge	0
573117	Structure_Complexity	94.4
827322	Exact_Mass	308.10956770
130169	Tautomer_Count	1
51894	Defined_Bond_Stereo_Count	0
19992510	Structure_Complexity	94.6
155259577	Molecular_Weight	512.4
157839	Defined_Atom_Stereo_Count	0
752646	Undefined_Atom_Stereo_Count	0
475319	Molecular_Weight	426.4
22836366	Hydrogen_Bond_Acceptor_Count	6
22644568	Undefined_Atom_Stereo_Count	0
72146	Exact_Mass	253.07726451
71449989	Defined_Bond_Stereo_Count	0
62995	Hydrogen_Bond_Acceptor_Count	7
227	Structure_Complexity	136
25010556	Covalent_Unit_Count	1
688311	XLogP3	2.7
66684067	Undefined_Atom_Stereo_Count	1
7459	TPSA	0
124159802	Covalent_Unit_Count	1
5086465	Defined_Bond_Stereo_Count	0
10188	Non-hydrogen_Atom_Count	28
58701785	Hydrogen_Bond_Acceptor_Count	8
19802062	Non-hydrogen_Atom_Count	7
8154	Structure_Complexity	181
672	Exact_Mass	326.12263431
53869568	Mono_Isotopic_Weight	111.068413911
56008	Total_Formal_Charge	0
146345448	Undefined_Bond_Stereo_Count	0
6754	Undefined_Bond_Stereo_Count	0
122173994	Undefined_Atom_Stereo_Count	0
177085	Molecular_Weight	184.62
6866	Exact_Mass	196.9799046
69917	Total_Formal_Charge	0
11287	Undefined_Atom_Stereo_Count	0
3080836	Covalent_Unit_Count	2
51030811	Rotatable_Bond_Count	6
5238474	Isotope_Atom_Count	0
12959090	Hydrogen_Bond_Acceptor_Count	2
520098	Undefined_Bond_Stereo_Count	0
23678874	Tautomer_Count	1
573	Undefined_Bond_Stereo_Count	9
13622	Rotatable_Bond_Count	1
54685141	Defined_Atom_Stereo_Count	0
11235541	Hydrogen_Bond_Acceptor_Count	7
24995524	Exact_Mass	430.0437292
11313946	Hydrogen_Bond_Acceptor_Count	4
44392105	Total_Formal_Charge	0
91475	Exact_Mass	334.25079494
3724	Structure_Complexity	1330
4104685	Mono_Isotopic_Weight	430.95937
4075159	Defined_Atom_Stereo_Count	0
2333	Defined_Atom_Stereo_Count	0
96306	Defined_Atom_Stereo_Count	0
12665	Rotatable_Bond_Count	0
129703128	Defined_Atom_Stereo_Count	1
7504	Isotope_Atom_Count	0
85663349	Hydrogen_Bond_Acceptor_Count	1
162883453	Rotatable_Bond_Count	6
12529295	Molecular_Weight	96.09
86083878	Hydrogen_Bond_Donor_Count	0
49869172	Rotatable_Bond_Count	4
2531445	Covalent_Unit_Count	1
3932	Hydrogen_Bond_Donor_Count	0
3158	Defined_Atom_Stereo_Count	0
6604365	Hydrogen_Bond_Acceptor_Count	3
141583717	Defined_Bond_Stereo_Count	0
5148108	Hydrogen_Bond_Donor_Count	2
89311461	TPSA	46.1
14221107	Defined_Atom_Stereo_Count	0
61014	Hydrogen_Bond_Donor_Count	0
115367	Molecular_Weight	463.0
472181	Non-hydrogen_Atom_Count	13
17607	Total_Formal_Charge	0
27774	Defined_Atom_Stereo_Count	0
73240	Defined_Bond_Stereo_Count	0
637584	Isotope_Atom_Count	0
1546	TPSA	119
49288	XLogP3	1.8
15778463	TPSA	26.3
6368	TPSA	0
242605	Structure_Complexity	248
84148	XLogP3-AA	0.8
7309	Hydrogen_Bond_Donor_Count	1
13463348	Structure_Complexity	87.7
20692458	Covalent_Unit_Count	1
135398635	Molecular_Weight	283.24
446753	TPSA	109
53627566	Structure_Complexity	29.8
79060	Undefined_Atom_Stereo_Count	1
23714994	Exact_Mass	240.07623855
656582	Hydrogen_Bond_Donor_Count	0
518700	TPSA	1
54758034	Hydrogen_Bond_Acceptor_Count	5
49864766	Hydrogen_Bond_Donor_Count	1
55910	Hydrogen_Bond_Donor_Count	2
156417	Hydrogen_Bond_Donor_Count	2
13883023	Mono_Isotopic_Weight	1483.406877
67329	Hydrogen_Bond_Acceptor_Count	6
14352519	Covalent_Unit_Count	1
54378261	Total_Formal_Charge	0
44195571	Mono_Isotopic_Weight	521.22498894
135887831	Structure_Complexity	1220
149164152	Structure_Complexity	136
10975533	Structure_Complexity	55.2
529271	Rotatable_Bond_Count	2
80296024	Structure_Complexity	136
10090750	Exact_Mass	373.204179104
46205408	Molecular_Weight	599.7
9568628	Molecular_Weight	327.5
1546	XLogP3	0.8
10080320	Covalent_Unit_Count	1
69903	Hydrogen_Bond_Acceptor_Count	3
413	Rotatable_Bond_Count	1
10775424	Undefined_Bond_Stereo_Count	0
22315763	Isotope_Atom_Count	0
91976487	Non-hydrogen_Atom_Count	135
165339	Defined_Bond_Stereo_Count	0
7656	Rotatable_Bond_Count	4
63181514	Non-hydrogen_Atom_Count	7
90579	Covalent_Unit_Count	1
15568	Exact_Mass	286.11782371
2160	Hydrogen_Bond_Acceptor_Count	1
26009888	Mono_Isotopic_Weight	113.058911855
21350905	Structure_Complexity	66.4
87940821	Undefined_Bond_Stereo_Count	0
10377	Exact_Mass	180.115029749
3505109	TPSA	86.3
87671446	Isotope_Atom_Count	0
130002904	Undefined_Atom_Stereo_Count	3
25104740	Defined_Bond_Stereo_Count	0
49867936	Structure_Complexity	815
8371	Exact_Mass	245.862290
9307	Hydrogen_Bond_Donor_Count	3
163285106	Covalent_Unit_Count	1
446308	TPSA	36.9
10250	Structure_Complexity	230
177976	Isotope_Atom_Count	0
117295	Isotope_Atom_Count	0
91884833	Mono_Isotopic_Weight	416.32904526
13676	Hydrogen_Bond_Acceptor_Count	3
43672	Molecular_Weight	517.6
5281033	Undefined_Atom_Stereo_Count	0
627254	Undefined_Bond_Stereo_Count	0
14546	Mono_Isotopic_Weight	215.9744848
77603	XLogP3-AA	0.5
6918160	Undefined_Bond_Stereo_Count	0
86614862	Defined_Bond_Stereo_Count	0
73167270	Hydrogen_Bond_Acceptor_Count	2
10017019	Undefined_Bond_Stereo_Count	0
3068840	Non-hydrogen_Atom_Count	27
97524	Structure_Complexity	266
9825084	Total_Formal_Charge	0
46738768	Undefined_Bond_Stereo_Count	0
20705517	Defined_Bond_Stereo_Count	0
692791	Non-hydrogen_Atom_Count	20
22222152	Hydrogen_Bond_Donor_Count	0
98954	Isotope_Atom_Count	0
10246418	Undefined_Atom_Stereo_Count	0
51003592	Hydrogen_Bond_Donor_Count	1
16106825	Defined_Atom_Stereo_Count	0
45238	TPSA	29.5
22609888	TPSA	83
56658432	Undefined_Atom_Stereo_Count	1
258030	Molecular_Weight	127.57
66783827	Defined_Bond_Stereo_Count	0
18600476	Exact_Mass	362.24174643
142401	Mono_Isotopic_Weight	92.026214747
193720	Defined_Atom_Stereo_Count	0
3197630	Structure_Complexity	635
81902	Tautomer_Count	9
74040195	Exact_Mass	97.052763847
135398650	Rotatable_Bond_Count	9
21093784	Structure_Complexity	577
9810929	Structure_Complexity	1220
274412	Undefined_Atom_Stereo_Count	0
44350128	XLogP3-AA	1.5
7020642	Isotope_Atom_Count	0
1834	Defined_Atom_Stereo_Count	0
6427080	Undefined_Bond_Stereo_Count	0
83970	Exact_Mass	545.18971080
44208919	Hydrogen_Bond_Acceptor_Count	5
50627	Isotope_Atom_Count	0
9414	Defined_Atom_Stereo_Count	0
13469007	Non-hydrogen_Atom_Count	8
8671	Molecular_Weight	278.3
56841653	Isotope_Atom_Count	0
68610	Hydrogen_Bond_Donor_Count	2
44392148	Undefined_Atom_Stereo_Count	0
16315	Defined_Bond_Stereo_Count	0
5323	XLogP3	1.6
16061135	Covalent_Unit_Count	1
177084	Hydrogen_Bond_Acceptor_Count	1
3960	Undefined_Atom_Stereo_Count	1
154293959	Undefined_Atom_Stereo_Count	0
441397	Hydrogen_Bond_Acceptor_Count	9
887824	Rotatable_Bond_Count	3
11824	Mono_Isotopic_Weight	291.09675391
21307	Covalent_Unit_Count	1
13159	Rotatable_Bond_Count	2
45109789	Undefined_Atom_Stereo_Count	1
12578535	Exact_Mass	113.084063974
24973796	Hydrogen_Bond_Donor_Count	1
139323923	TPSA	279
23368901	Rotatable_Bond_Count	0
558502	Isotope_Atom_Count	0
54167752	Mono_Isotopic_Weight	95.94876769
139444	Undefined_Atom_Stereo_Count	4
6444203	Hydrogen_Bond_Donor_Count	6
10186986	Defined_Bond_Stereo_Count	0
6589	Rotatable_Bond_Count	1
141300213	Covalent_Unit_Count	1
520277	TPSA	9.2
145627882	TPSA	21.6
10492	Tautomer_Count	1
56340	XLogP3-AA	3.3
9955836	XLogP3-AA	0.7
89162323	Isotope_Atom_Count	0
135974	Tautomer_Count	1
98473	Non-hydrogen_Atom_Count	28
58550573	Rotatable_Bond_Count	0
443310	Mono_Isotopic_Weight	852.38063989
15932798	Undefined_Atom_Stereo_Count	0
13693091	Structure_Complexity	107
15130827	Undefined_Atom_Stereo_Count	0
135398670	Undefined_Atom_Stereo_Count	0
90125683	Non-hydrogen_Atom_Count	20
14829	Structure_Complexity	2
155	Exact_Mass	170.04399007
17131	Total_Formal_Charge	0
456255	TPSA	201
135992838	Undefined_Bond_Stereo_Count	0
123133975	TPSA	206
45933929	Defined_Bond_Stereo_Count	0
3265	Non-hydrogen_Atom_Count	28
11725766	TPSA	46.3
11868	Undefined_Atom_Stereo_Count	0
132399083	Rotatable_Bond_Count	5
31013	Total_Formal_Charge	0
306917	Total_Formal_Charge	0
134692587	Exact_Mass	861.50858530
24621	Hydrogen_Bond_Donor_Count	0
65673	Hydrogen_Bond_Acceptor_Count	4
3081387	TPSA	333
7540	Defined_Bond_Stereo_Count	0
1894	TPSA	114
54117	Mono_Isotopic_Weight	435.05185486
6917697	Total_Formal_Charge	0
67486	Undefined_Bond_Stereo_Count	0
118328333	Covalent_Unit_Count	1
56983443	Defined_Bond_Stereo_Count	0
13424661	Hydrogen_Bond_Acceptor_Count	8
349094	Hydrogen_Bond_Donor_Count	1
9953205	XLogP3-AA	3.4
4192	Tautomer_Count	1
162268	Exact_Mass	236.214015512
2103	Undefined_Atom_Stereo_Count	6
177014	Covalent_Unit_Count	1
155288862	Structure_Complexity	401
87203	Covalent_Unit_Count	1
58143028	Defined_Bond_Stereo_Count	0
66558601	Mono_Isotopic_Weight	371.11938106
15032818	Molecular_Weight	106.16
638066	Defined_Bond_Stereo_Count	1
85821087	Rotatable_Bond_Count	1
129628397	Defined_Atom_Stereo_Count	0
156907991	Hydrogen_Bond_Donor_Count	10
3037261	Mono_Isotopic_Weight	233.05104977
13620760	Hydrogen_Bond_Acceptor_Count	4
5311505	Undefined_Atom_Stereo_Count	0
154986845	Exact_Mass	112.063662883
421610	Rotatable_Bond_Count	7
8151	XLogP3-AA	0.3
66663	Rotatable_Bond_Count	8
5282227	Defined_Atom_Stereo_Count	0
119177	Rotatable_Bond_Count	14
18704550	Hydrogen_Bond_Acceptor_Count	2
69341007	Defined_Atom_Stereo_Count	0
71643	TPSA	32.6
12497562	Defined_Bond_Stereo_Count	0
32468	Defined_Atom_Stereo_Count	0
25050	Undefined_Bond_Stereo_Count	0
644275	Rotatable_Bond_Count	79
779179	Exact_Mass	347.18450629
50936926	Non-hydrogen_Atom_Count	9
197148	Tautomer_Count	1
75908	Undefined_Atom_Stereo_Count	0
3035657	TPSA	46.5
6671	Hydrogen_Bond_Donor_Count	0
10192685	Total_Formal_Charge	0
11335094	Undefined_Bond_Stereo_Count	0
13570516	Defined_Atom_Stereo_Count	0
57254473	Defined_Bond_Stereo_Count	0
66086	Tautomer_Count	1
3641	XLogP3	2.2
19101060	Undefined_Bond_Stereo_Count	0
13003788	Covalent_Unit_Count	1
68689	Molecular_Weight	185.31
11779772	Isotope_Atom_Count	0
16760159	Defined_Bond_Stereo_Count	0
68258	Undefined_Bond_Stereo_Count	0
10290773	Hydrogen_Bond_Acceptor_Count	3
627923	Exact_Mass	307.14331018
5282468	Isotope_Atom_Count	0
9862076	Hydrogen_Bond_Acceptor_Count	5
14089202	Defined_Bond_Stereo_Count	0
135564751	Structure_Complexity	737
1115	Hydrogen_Bond_Donor_Count	8
117890905	Covalent_Unit_Count	1
11399084	Undefined_Bond_Stereo_Count	0
97698	Hydrogen_Bond_Donor_Count	0
14020422	Total_Formal_Charge	0
12599713	Undefined_Atom_Stereo_Count	2
213049	Non-hydrogen_Atom_Count	33
25084151	Hydrogen_Bond_Donor_Count	16
1463	Undefined_Bond_Stereo_Count	0
66829	Mono_Isotopic_Weight	162.02854067
66093	Defined_Atom_Stereo_Count	0
12713	TPSA	26.3
21669	Undefined_Atom_Stereo_Count	0
60150535	Exact_Mass	378.16919058
10130337	Tautomer_Count	2
15007	Exact_Mass	250.15689456
639970	Isotope_Atom_Count	0
534688	Undefined_Bond_Stereo_Count	0
1807	Defined_Atom_Stereo_Count	0
71743843	Defined_Bond_Stereo_Count	0
441346	TPSA	125
11315446	Exact_Mass	396.20738760
44455083	XLogP3-AA	2.4
11697676	Hydrogen_Bond_Acceptor_Count	5
5702546	XLogP3-AA	4.5
69871	Non-hydrogen_Atom_Count	12
53477781	Hydrogen_Bond_Donor_Count	3
73640	Hydrogen_Bond_Donor_Count	1
10686	Exact_Mass	120.093900383
12011	Structure_Complexity	235
70912	Molecular_Weight	173.21
95902	Hydrogen_Bond_Acceptor_Count	6
71880	Mono_Isotopic_Weight	578.29517893
12067680	Isotope_Atom_Count	0
51049440	Hydrogen_Bond_Acceptor_Count	5
55288485	Non-hydrogen_Atom_Count	8
21694866	Hydrogen_Bond_Donor_Count	1
87599626	Hydrogen_Bond_Acceptor_Count	4
25056	Isotope_Atom_Count	0
35969	Mono_Isotopic_Weight	271.00067142
26445	Undefined_Atom_Stereo_Count	0
95202	Hydrogen_Bond_Donor_Count	0
6367	Total_Formal_Charge	0
7447	Hydrogen_Bond_Acceptor_Count	4
154091255	Non-hydrogen_Atom_Count	8
382	Total_Formal_Charge	0
130114929	Defined_Atom_Stereo_Count	0
25023855	Undefined_Bond_Stereo_Count	0
13349550	Hydrogen_Bond_Donor_Count	0
55286155	Structure_Complexity	93.7
71304	Mono_Isotopic_Weight	406.21172409
108938	Rotatable_Bond_Count	1
3544	Defined_Bond_Stereo_Count	0
642	Structure_Complexity	1100
71371	Covalent_Unit_Count	4
105426940	Total_Formal_Charge	0
11313946	TPSA	125
4463	Rotatable_Bond_Count	1
17753867	Mono_Isotopic_Weight	289.98038
19759614	Undefined_Bond_Stereo_Count	0
6367080	Non-hydrogen_Atom_Count	28
107561	XLogP3-AA	2.2
11832800	Total_Formal_Charge	0
22101702	Isotope_Atom_Count	0
1549120	Mono_Isotopic_Weight	319.03368562
7801	Total_Formal_Charge	0
10724	Rotatable_Bond_Count	0
65043	Mono_Isotopic_Weight	263.0283962
118855910	Defined_Bond_Stereo_Count	0
71362	Exact_Mass	1363.68192451
4942	Isotope_Atom_Count	0
7230	Exact_Mass	238.05984080
154067559	Mono_Isotopic_Weight	84.021129366
18999713	Defined_Bond_Stereo_Count	0
28107	Mono_Isotopic_Weight	827.46672049
97994	Non-hydrogen_Atom_Count	13
160602	Defined_Atom_Stereo_Count	0
6433396	Tautomer_Count	1
16218739	Undefined_Bond_Stereo_Count	0
57820	TPSA	66
2761399	XLogP3	0.4
60921	Defined_Atom_Stereo_Count	0
68356363	Covalent_Unit_Count	1
68512	Tautomer_Count	10
44134533	Rotatable_Bond_Count	8
117439	Hydrogen_Bond_Acceptor_Count	5
2365	Hydrogen_Bond_Acceptor_Count	2
56737	TPSA	106
22506613	Total_Formal_Charge	0
6871	Total_Formal_Charge	0
52716	Tautomer_Count	1
12658	Structure_Complexity	165
9302	Tautomer_Count	4
133057415	Hydrogen_Bond_Acceptor_Count	3
26990	Hydrogen_Bond_Acceptor_Count	4
48807	Defined_Bond_Stereo_Count	0
138924	Non-hydrogen_Atom_Count	7
59295958	Defined_Bond_Stereo_Count	0
90803	Exact_Mass	104.047344113
11749858	Defined_Bond_Stereo_Count	0
8363	Undefined_Atom_Stereo_Count	0
6427110	XLogP3-AA	4.6
8269	Total_Formal_Charge	0
123964585	Isotope_Atom_Count	0
71449585	Structure_Complexity	611
24825254	Molecular_Weight	510.6
11824	TPSA	150
45358180	TPSA	222
142657543	Total_Formal_Charge	0
90695524	XLogP3-AA	2.5
134664	Undefined_Bond_Stereo_Count	0
29393	TPSA	163
13033202	Mono_Isotopic_Weight	98.048012819
91747	Exact_Mass	309.0379554
447377	Hydrogen_Bond_Acceptor_Count	13
84811	Defined_Atom_Stereo_Count	1
118318030	Exact_Mass	527.23263824
245627	Structure_Complexity	109
135405908	Total_Formal_Charge	0
64865	TPSA	75.4
9823302	Defined_Atom_Stereo_Count	0
57565697	Molecular_Weight	116.16
9804302	TPSA	165
656	Undefined_Atom_Stereo_Count	11
508194	Mono_Isotopic_Weight	667.40975519
14342	Mono_Isotopic_Weight	343.918158
3567443	Mono_Isotopic_Weight	231.100776666
19868281	Structure_Complexity	103
139502	Structure_Complexity	128
68432538	Undefined_Bond_Stereo_Count	1
101603227	Structure_Complexity	1410
68873	Undefined_Atom_Stereo_Count	0
522689	Structure_Complexity	2
16473	Exact_Mass	328.0648413
2734952	Covalent_Unit_Count	3
158294441	Non-hydrogen_Atom_Count	8
54315893	Non-hydrogen_Atom_Count	8
5681	Undefined_Bond_Stereo_Count	0
173058	Undefined_Bond_Stereo_Count	0
533427	Total_Formal_Charge	0
11916	Defined_Atom_Stereo_Count	0
22812306	Hydrogen_Bond_Acceptor_Count	1
316975	Defined_Bond_Stereo_Count	0
154824336	Molecular_Weight	211.22
23667630	Molecular_Weight	436.5
14740383	Hydrogen_Bond_Donor_Count	0
101239377	Covalent_Unit_Count	1
57284788	Total_Formal_Charge	0
14454747	Defined_Bond_Stereo_Count	0
11539235	Defined_Atom_Stereo_Count	0
5154	Rotatable_Bond_Count	0
5364920	Exact_Mass	86.073164938
71412	Undefined_Bond_Stereo_Count	0
72253	Non-hydrogen_Atom_Count	20
98488	Undefined_Bond_Stereo_Count	0
11594	Undefined_Bond_Stereo_Count	0
13831	Exact_Mass	202.185037859
439186	Undefined_Bond_Stereo_Count	0
60285	Exact_Mass	310.18925731
3000516	Mono_Isotopic_Weight	378.11668211
72160	Defined_Atom_Stereo_Count	2
14656672	TPSA	70
566503	Defined_Atom_Stereo_Count	0
1747	Covalent_Unit_Count	1
20398539	Hydrogen_Bond_Acceptor_Count	3
133967	Defined_Bond_Stereo_Count	0
3000667	Mono_Isotopic_Weight	319.14197277
21131860	Molecular_Weight	99.17
13140652	Undefined_Bond_Stereo_Count	0
24729333	Structure_Complexity	140
22717351	Undefined_Bond_Stereo_Count	0
46906435	Rotatable_Bond_Count	9
12839329	Structure_Complexity	64.7
57674785	XLogP3-AA	1.7
12506259	Defined_Bond_Stereo_Count	0
20141078	Structure_Complexity	117
60200126	Structure_Complexity	802
86076207	Rotatable_Bond_Count	3
65780	Exact_Mass	215.188529040
827902	Hydrogen_Bond_Acceptor_Count	3
16129616	Molecular_Weight	3431.9
61868	Hydrogen_Bond_Acceptor_Count	2
6572	TPSA	44
140934984	Rotatable_Bond_Count	0
135846130	Hydrogen_Bond_Acceptor_Count	19
5284572	Defined_Atom_Stereo_Count	0
6553	Undefined_Atom_Stereo_Count	1
6099	Total_Formal_Charge	0
549482	XLogP3-AA	3.4
22096	Structure_Complexity	380
24916941	Undefined_Bond_Stereo_Count	0
117072551	Structure_Complexity	854
57328385	Exact_Mass	407.08816112
15513	Exact_Mass	180.04225873
16526	Hydrogen_Bond_Donor_Count	2
18998026	Structure_Complexity	66.6
9873570	Molecular_Weight	323.5
7560	Hydrogen_Bond_Donor_Count	1
4495	XLogP3	2.6
96873	Rotatable_Bond_Count	4
5233031	Structure_Complexity	244
139269842	Hydrogen_Bond_Acceptor_Count	3
16303	Defined_Bond_Stereo_Count	0
96910	Exact_Mass	281.16569940
10162630	Molecular_Weight	477.0
16758827	Hydrogen_Bond_Donor_Count	4
74320	Tautomer_Count	1
156024996	Undefined_Atom_Stereo_Count	0
445039	Undefined_Bond_Stereo_Count	0
40127	Total_Formal_Charge	0
11575878	Covalent_Unit_Count	1
192154	Total_Formal_Charge	0
104902	Undefined_Bond_Stereo_Count	0
14819	Rotatable_Bond_Count	0
17170	Isotope_Atom_Count	0
70686473	Non-hydrogen_Atom_Count	28
5464255	Defined_Atom_Stereo_Count	2
21218701	Undefined_Atom_Stereo_Count	1
703128	Exact_Mass	287.15214353
85065	Hydrogen_Bond_Acceptor_Count	5
16132429	Defined_Atom_Stereo_Count	0
81909	Total_Formal_Charge	0
10964421	Structure_Complexity	46.8
115118	Mono_Isotopic_Weight	433.2019862
4714967	Isotope_Atom_Count	0
77022	Hydrogen_Bond_Acceptor_Count	1
61474	Molecular_Weight	280.87
12654348	Mono_Isotopic_Weight	113.058911855
570603	Mono_Isotopic_Weight	106.053098200
5282550	Non-hydrogen_Atom_Count	27
819269	Hydrogen_Bond_Donor_Count	2
69347980	Undefined_Atom_Stereo_Count	0
66704467	Rotatable_Bond_Count	1
6917754	Covalent_Unit_Count	2
89125265	Total_Formal_Charge	0
65776	Hydrogen_Bond_Acceptor_Count	3
5281576	Tautomer_Count	111
68861	Non-hydrogen_Atom_Count	23
10252	Hydrogen_Bond_Donor_Count	2
2786	Hydrogen_Bond_Donor_Count	4
10475633	Undefined_Atom_Stereo_Count	0
19801	Covalent_Unit_Count	1
3653077	Undefined_Bond_Stereo_Count	0
11853779	Undefined_Bond_Stereo_Count	0
44328873	XLogP3	1
10102486	Molecular_Weight	993.6
88024860	Exact_Mass	100.052429494
13947131	Defined_Atom_Stereo_Count	0
4662	Undefined_Atom_Stereo_Count	8
1905	Defined_Atom_Stereo_Count	0
73271	Hydrogen_Bond_Acceptor_Count	4
7826	Isotope_Atom_Count	0
57345537	Total_Formal_Charge	0
6440871	XLogP3-AA	1.6
23666830	Mono_Isotopic_Weight	332.94451608
54041	XLogP3-AA	3.1
56032	Hydrogen_Bond_Donor_Count	1
54099775	Non-hydrogen_Atom_Count	8
25111945	TPSA	65.7
10236037	Molecular_Weight	173.25
53846421	Molecular_Weight	416.6
6918025	Molecular_Weight	1191.4
390049	Mono_Isotopic_Weight	418.14163842
117717939	Defined_Atom_Stereo_Count	1
13769849	Molecular_Weight	493.5
66043	Defined_Bond_Stereo_Count	0
18757800	Total_Formal_Charge	0
12599701	Structure_Complexity	63.1
169573	Rotatable_Bond_Count	3
113917	Defined_Atom_Stereo_Count	0
66248	Mono_Isotopic_Weight	354.20691876
11224214	Rotatable_Bond_Count	4
2381	Defined_Atom_Stereo_Count	0
24946980	Isotope_Atom_Count	0
11449	Isotope_Atom_Count	0
497380	Structure_Complexity	639
138506	Rotatable_Bond_Count	4
42334	Defined_Bond_Stereo_Count	0
62530	Mono_Isotopic_Weight	206.167065321
734999	Defined_Bond_Stereo_Count	0
86632359	Total_Formal_Charge	0
23668198	Rotatable_Bond_Count	3
72924	Hydrogen_Bond_Acceptor_Count	3
20055121	Covalent_Unit_Count	1
11341	Tautomer_Count	1
5458653	XLogP3-AA	3.4
6112114	Covalent_Unit_Count	1
22169421	Defined_Bond_Stereo_Count	0
133562683	Molecular_Weight	721.8
21909502	Rotatable_Bond_Count	12
69229	Mono_Isotopic_Weight	182.06914219
310360	Defined_Bond_Stereo_Count	0
44962	Covalent_Unit_Count	2
1068	Exact_Mass	62.01902136
114809	Mono_Isotopic_Weight	205.85370
20453897	Isotope_Atom_Count	0
90109	Defined_Bond_Stereo_Count	0
5267	TPSA	85.7
5284456	Total_Formal_Charge	0
5866327	Defined_Atom_Stereo_Count	0
41556	XLogP3-AA	7.2
135554441	Isotope_Atom_Count	0
70241	TPSA	100
66426486	Structure_Complexity	134
8208	Tautomer_Count	1
603	Undefined_Atom_Stereo_Count	3
71180	TPSA	83.4
124409111	Structure_Complexity	382
19068741	Structure_Complexity	108
13297	Total_Formal_Charge	0
5284594	Molecular_Weight	339.4
62705861	Total_Formal_Charge	0
45138674	Undefined_Atom_Stereo_Count	0
71541190	Undefined_Bond_Stereo_Count	0
19960955	Undefined_Bond_Stereo_Count	0
40473182	Defined_Bond_Stereo_Count	0
1241301	Undefined_Bond_Stereo_Count	0
70916	Hydrogen_Bond_Donor_Count	0
641496	Rotatable_Bond_Count	0
17288	Hydrogen_Bond_Acceptor_Count	3
409350	Molecular_Weight	256.30
580753	TPSA	46.7
70593	Defined_Bond_Stereo_Count	0
8737	Exact_Mass	183.0298355
129514	Tautomer_Count	4
11983362	TPSA	76.2
13138140	Undefined_Atom_Stereo_Count	2
14257662	Exact_Mass	1039.43679229
3037161	Rotatable_Bond_Count	5
6451257	Defined_Atom_Stereo_Count	4
22986754	Defined_Bond_Stereo_Count	0
5732	Rotatable_Bond_Count	3
5929	Rotatable_Bond_Count	3
68616	Covalent_Unit_Count	1
71584419	Rotatable_Bond_Count	5
45071972	Hydrogen_Bond_Acceptor_Count	3
18381562	TPSA	53.6
121938	Undefined_Bond_Stereo_Count	0
92154	Structure_Complexity	269
31203	Hydrogen_Bond_Donor_Count	0
5702049	Tautomer_Count	10
13513692	Hydrogen_Bond_Acceptor_Count	1
5375199	Exact_Mass	264.13615911
102004571	Isotope_Atom_Count	0
73356	Hydrogen_Bond_Acceptor_Count	4
3464	Isotope_Atom_Count	0
9863303	Undefined_Bond_Stereo_Count	0
118910268	Covalent_Unit_Count	1
53739	Rotatable_Bond_Count	3
56617809	Non-hydrogen_Atom_Count	7
65677	Covalent_Unit_Count	1
6119	Undefined_Atom_Stereo_Count	0
519	Exact_Mass	258.01406892
30131	XLogP3-AA	3.1
11423563	Covalent_Unit_Count	1
11138	XLogP3-AA	0.5
70258	Rotatable_Bond_Count	0
54316	Tautomer_Count	1
17541	Undefined_Atom_Stereo_Count	0
6035169	Covalent_Unit_Count	1
30053	Hydrogen_Bond_Donor_Count	1
12730529	Non-hydrogen_Atom_Count	11
24642	Structure_Complexity	2
17961316	TPSA	46.2
6391	Rotatable_Bond_Count	0
7626	Structure_Complexity	154
19166	Hydrogen_Bond_Acceptor_Count	2
213053	Isotope_Atom_Count	0
5460221	Exact_Mass	281.248055291
117938207	Isotope_Atom_Count	0
551401	TPSA	20.2
13019052	Defined_Atom_Stereo_Count	3
445318	Undefined_Atom_Stereo_Count	0
6435920	Mono_Isotopic_Weight	224.177630004
201618	Structure_Complexity	176
87774825	Total_Formal_Charge	0
71571512	Covalent_Unit_Count	1
349957	TPSA	20.3
154701779	Molecular_Weight	365.4
21343371	Covalent_Unit_Count	1
322148	Rotatable_Bond_Count	1
23541	Defined_Bond_Stereo_Count	0
440728	Structure_Complexity	334
104781	Hydrogen_Bond_Acceptor_Count	4
4623	Total_Formal_Charge	0
22238533	Structure_Complexity	72.5
9964093	Hydrogen_Bond_Acceptor_Count	1
30107	Structure_Complexity	394
153655135	Hydrogen_Bond_Donor_Count	2
58506875	Mono_Isotopic_Weight	285.209264485
14265	XLogP3-AA	1
25171665	Defined_Atom_Stereo_Count	1
16316	Undefined_Bond_Stereo_Count	0
7108	Isotope_Atom_Count	0
612055	Isotope_Atom_Count	0
68381	Molecular_Weight	166.22
31060	Defined_Atom_Stereo_Count	0
9799942	Molecular_Weight	378.5
68741938	Defined_Bond_Stereo_Count	0
8443	Tautomer_Count	3
9874591	TPSA	195
84647730	Mono_Isotopic_Weight	116.083729621
157610150	Undefined_Atom_Stereo_Count	2
5569	Isotope_Atom_Count	0
44485	Covalent_Unit_Count	1
57565697	Isotope_Atom_Count	0
91171	Structure_Complexity	52.5
97535	Tautomer_Count	4
5702698	Hydrogen_Bond_Acceptor_Count	3
13950368	Exact_Mass	98.036779430
9571080	Covalent_Unit_Count	1
4216	Defined_Atom_Stereo_Count	0
53404864	Exact_Mass	100.088815002
123249	Hydrogen_Bond_Donor_Count	0
11957684	Hydrogen_Bond_Donor_Count	2
82693	Undefined_Bond_Stereo_Count	0
137426	Undefined_Bond_Stereo_Count	0
4866625	Defined_Bond_Stereo_Count	0
4274588	Rotatable_Bond_Count	1
53723270	Undefined_Atom_Stereo_Count	0
12551755	Isotope_Atom_Count	0
6538981	Exact_Mass	486.1337794
5145	Exact_Mass	286.10525291
54715668	Mono_Isotopic_Weight	188.94254
4042	Molecular_Weight	386.5
5289373	TPSA	97.7
115072	Molecular_Weight	248.32
21842688	Structure_Complexity	155
91513	Defined_Bond_Stereo_Count	0
11030410	Hydrogen_Bond_Acceptor_Count	6
143552208	Molecular_Weight	124.16
78165	Defined_Atom_Stereo_Count	0
7401	Undefined_Bond_Stereo_Count	0
53378550	Molecular_Weight	453.9
44146693	Covalent_Unit_Count	1
154104	Exact_Mass	303.10414797
7232	Structure_Complexity	244
22035328	Undefined_Bond_Stereo_Count	0
23116322	Molecular_Weight	574.7
101587427	Hydrogen_Bond_Acceptor_Count	3
57583195	Rotatable_Bond_Count	2
135399235	Hydrogen_Bond_Donor_Count	2
13530219	Defined_Bond_Stereo_Count	0
18934502	Hydrogen_Bond_Acceptor_Count	2
12947024	Mono_Isotopic_Weight	331.99605
4745	Total_Formal_Charge	0
35023	Mono_Isotopic_Weight	246.11167570
15710945	Non-hydrogen_Atom_Count	30
65492	Structure_Complexity	583
12749134	Undefined_Bond_Stereo_Count	0
12420323	Exact_Mass	112.088815002
23064418	Defined_Atom_Stereo_Count	0
25116186	Hydrogen_Bond_Donor_Count	3
54321	Tautomer_Count	1
67482753	Defined_Atom_Stereo_Count	0
10402760	TPSA	77.5
4538	Non-hydrogen_Atom_Count	11
53990905	Mono_Isotopic_Weight	111.043261792
2064030	Rotatable_Bond_Count	1
517327	Rotatable_Bond_Count	1
21103	Structure_Complexity	235
558092	Structure_Complexity	75.6
139085	Rotatable_Bond_Count	0
10964453	TPSA	12.5
18781684	Isotope_Atom_Count	0
242	Non-hydrogen_Atom_Count	9
150748	Covalent_Unit_Count	1
6902	Molecular_Weight	150.13
549097	Structure_Complexity	96.2
6444397	Total_Formal_Charge	0
60613	Defined_Bond_Stereo_Count	0
93092	TPSA	24.7
28360672	XLogP3-AA	0.3
3246323	Hydrogen_Bond_Acceptor_Count	7
38982	Tautomer_Count	1
2040	Undefined_Atom_Stereo_Count	0
12264928	Structure_Complexity	68.3
480953	Non-hydrogen_Atom_Count	36
529273	Total_Formal_Charge	0
78484	Covalent_Unit_Count	1
135508048	Defined_Atom_Stereo_Count	0
102601816	TPSA	110
71384614	Exact_Mass	182.05790880
19284	Rotatable_Bond_Count	16
79104	Exact_Mass	86.073164938
89741632	Molecular_Weight	416.5
639095	Defined_Atom_Stereo_Count	0
265635	Undefined_Bond_Stereo_Count	0
13590	Defined_Bond_Stereo_Count	0
86054107	Total_Formal_Charge	0
2622	Total_Formal_Charge	0
544	Undefined_Atom_Stereo_Count	0
413540	Exact_Mass	264.162648646
11379	Defined_Bond_Stereo_Count	0
92374	Undefined_Bond_Stereo_Count	0
71736	Non-hydrogen_Atom_Count	33
23679632	Hydrogen_Bond_Donor_Count	1
23286	Undefined_Bond_Stereo_Count	0
62325	Tautomer_Count	1
18997160	Undefined_Bond_Stereo_Count	0
4336	Undefined_Bond_Stereo_Count	2
239760	Rotatable_Bond_Count	3
21650900	Undefined_Atom_Stereo_Count	0
53702849	Structure_Complexity	87.7
224844	Isotope_Atom_Count	0
12799759	Undefined_Bond_Stereo_Count	0
104805	Rotatable_Bond_Count	0
12936897	Covalent_Unit_Count	1
87612217	Undefined_Bond_Stereo_Count	0
10614	Isotope_Atom_Count	0
85794	Total_Formal_Charge	0
82050	Non-hydrogen_Atom_Count	2
10196758	Covalent_Unit_Count	1
40024	Mono_Isotopic_Weight	296.12598835
6871216	Defined_Atom_Stereo_Count	0
8051	Rotatable_Bond_Count	4
20056755	Defined_Bond_Stereo_Count	0
13207	Structure_Complexity	101
57473636	Structure_Complexity	133
5280906	Exact_Mass	335.17327290
226	Hydrogen_Bond_Acceptor_Count	2
4914	Defined_Atom_Stereo_Count	0
54602348	Undefined_Atom_Stereo_Count	0
344200	Hydrogen_Bond_Donor_Count	3
58233	Exact_Mass	407.23729075
72200110	Covalent_Unit_Count	1
85983	Exact_Mass	218.05790880
185620	TPSA	152
2724123	Structure_Complexity	131
5273469	Covalent_Unit_Count	1
131320	Tautomer_Count	1
703047	Total_Formal_Charge	0
9526	Hydrogen_Bond_Acceptor_Count	6
135491728	Hydrogen_Bond_Donor_Count	1
1613	Tautomer_Count	1
146558401	Mono_Isotopic_Weight	100.100048391
8263	Covalent_Unit_Count	1
491022	Non-hydrogen_Atom_Count	37
10041	Rotatable_Bond_Count	0
134825921	Defined_Atom_Stereo_Count	10
46490	XLogP3	1.9
66968933	Isotope_Atom_Count	0
7196	XLogP3	0.4
133268468	Mono_Isotopic_Weight	419.34787550
67258976	Covalent_Unit_Count	1
57202979	Undefined_Bond_Stereo_Count	0
295971	Undefined_Atom_Stereo_Count	0
24850	Non-hydrogen_Atom_Count	17
10017965	Undefined_Bond_Stereo_Count	0
1565	Undefined_Atom_Stereo_Count	3
9933475	Structure_Complexity	625
135413518	Hydrogen_Bond_Donor_Count	6
44155874	Hydrogen_Bond_Donor_Count	0
656980	Total_Formal_Charge	0
2723920	Hydrogen_Bond_Acceptor_Count	4
2202	Molecular_Weight	226.23
10943	Defined_Atom_Stereo_Count	0
58221868	Hydrogen_Bond_Donor_Count	1
3943	Covalent_Unit_Count	1
87323	Undefined_Atom_Stereo_Count	0
2724294	Hydrogen_Bond_Acceptor_Count	3
44456859	Covalent_Unit_Count	1
68846936	Defined_Atom_Stereo_Count	0
27665	Hydrogen_Bond_Acceptor_Count	1
65499	Tautomer_Count	1
11809740	Rotatable_Bond_Count	2
7982	TPSA	26.3
427860	Isotope_Atom_Count	0
55291464	Covalent_Unit_Count	1
594557	Covalent_Unit_Count	1
75284	Defined_Bond_Stereo_Count	0
53936618	Isotope_Atom_Count	0
58883	Undefined_Bond_Stereo_Count	0
122767	Isotope_Atom_Count	0
781234	Molecular_Weight	264.32
8765	Defined_Bond_Stereo_Count	0
82766	Total_Formal_Charge	0
6199	Exact_Mass	186.031694049
68016	Rotatable_Bond_Count	1
7483	Defined_Atom_Stereo_Count	0
965	Covalent_Unit_Count	1
42993	Mono_Isotopic_Weight	339.14705815
39752	Defined_Atom_Stereo_Count	0
5460610	TPSA	37.3
66061	Structure_Complexity	481
117188004	Isotope_Atom_Count	0
62140646	Rotatable_Bond_Count	2
54144952	Structure_Complexity	119
147556052	Undefined_Bond_Stereo_Count	0
59664	Exact_Mass	354.00765
6440459	Rotatable_Bond_Count	18
102730	Rotatable_Bond_Count	2
56665391	Defined_Atom_Stereo_Count	0
25171607	Undefined_Bond_Stereo_Count	0
14280898	Covalent_Unit_Count	1
970440	Non-hydrogen_Atom_Count	22
10628031	Structure_Complexity	1300
16241	Total_Formal_Charge	0
6479	Undefined_Bond_Stereo_Count	0
176163	Undefined_Bond_Stereo_Count	0
123093	Defined_Bond_Stereo_Count	0
447555	Defined_Atom_Stereo_Count	1
89576913	Undefined_Bond_Stereo_Count	0
821629	Undefined_Bond_Stereo_Count	0
2784	Undefined_Bond_Stereo_Count	0
255680	Exact_Mass	191.058243149
6437380	Isotope_Atom_Count	0
56704	Structure_Complexity	410
23667299	Exact_Mass	692.41115704
14010333	Undefined_Atom_Stereo_Count	2
5354133	Undefined_Bond_Stereo_Count	0
129821916	Exact_Mass	247.0611356
175988	Tautomer_Count	1
9835049	Undefined_Bond_Stereo_Count	0
24483	XLogP3	5.7
222757	Tautomer_Count	1
72523	Covalent_Unit_Count	1
71969	Covalent_Unit_Count	1
6433588	Undefined_Atom_Stereo_Count	0
28292	Undefined_Atom_Stereo_Count	0
4386	Exact_Mass	213.078978594
16835	Tautomer_Count	1
54283855	Hydrogen_Bond_Donor_Count	2
14555267	Mono_Isotopic_Weight	304.121177757
11241545	Non-hydrogen_Atom_Count	16
71452498	Undefined_Atom_Stereo_Count	0
71356656	Undefined_Bond_Stereo_Count	1
72200631	Mono_Isotopic_Weight	579.26411653
9920327	Undefined_Bond_Stereo_Count	0
71208	Non-hydrogen_Atom_Count	12
92180	Structure_Complexity	236
11903	TPSA	0
176166	Tautomer_Count	3
72666	Defined_Atom_Stereo_Count	0
4149208	Mono_Isotopic_Weight	199.169804972
56841939	Exact_Mass	420.1928185
853490	Mono_Isotopic_Weight	301.0618043
15408	Total_Formal_Charge	0
57004	Molecular_Weight	218.63
135431094	Hydrogen_Bond_Donor_Count	5
5255	Defined_Bond_Stereo_Count	0
20438510	Defined_Atom_Stereo_Count	0
135403657	Molecular_Weight	522.20
70141017	Hydrogen_Bond_Acceptor_Count	1
11140	Rotatable_Bond_Count	1
38666	Defined_Atom_Stereo_Count	0
5324169	Covalent_Unit_Count	1
211	Total_Formal_Charge	0
71895	Exact_Mass	269.10519334
9868580	Undefined_Bond_Stereo_Count	0
34319	Defined_Atom_Stereo_Count	0
73030065	Total_Formal_Charge	0
5282199	Structure_Complexity	482
9470	Undefined_Atom_Stereo_Count	1
61247	Molecular_Weight	102.17
10909500	Non-hydrogen_Atom_Count	7
6100671	Exact_Mass	326.199428076
83478502	Exact_Mass	103.063328530
71300410	Undefined_Atom_Stereo_Count	0
3034394	Non-hydrogen_Atom_Count	21
40701	Tautomer_Count	1
71301276	Structure_Complexity	387
54688689	Rotatable_Bond_Count	10
24957182	Defined_Bond_Stereo_Count	0
8002	XLogP3	2.8
10330791	Covalent_Unit_Count	1
68834	TPSA	92.1
542305	Molecular_Weight	118.17
60956	Defined_Bond_Stereo_Count	0
197006	Molecular_Weight	449.7
3064224	Total_Formal_Charge	0
46936357	Molecular_Weight	632.6
25201614	Defined_Atom_Stereo_Count	0
21115808	Exact_Mass	104.094963011
62875	Mono_Isotopic_Weight	304.0800974
164164517	Isotope_Atom_Count	0
87187677	Undefined_Atom_Stereo_Count	1
91746591	Covalent_Unit_Count	1
643964	Total_Formal_Charge	0
9815326	Undefined_Bond_Stereo_Count	0
102538	XLogP3-AA	1.5
11789150	Total_Formal_Charge	0
26470417	Molecular_Weight	342.30
71366347	Undefined_Atom_Stereo_Count	2
219399	Molecular_Weight	100.12
12255141	Non-hydrogen_Atom_Count	7
7987	Covalent_Unit_Count	1
741	Hydrogen_Bond_Donor_Count	10
6432709	XLogP3-AA	3.9
6445008	Defined_Atom_Stereo_Count	0
23216963	Undefined_Atom_Stereo_Count	2
63016	Rotatable_Bond_Count	4
54555	TPSA	29.5
1473603	TPSA	43.6
21884945	Undefined_Bond_Stereo_Count	0
10873438	Structure_Complexity	688
133119158	Undefined_Atom_Stereo_Count	0
24848413	Undefined_Atom_Stereo_Count	0
16129666	Covalent_Unit_Count	1
12242802	Hydrogen_Bond_Acceptor_Count	1
2786	Non-hydrogen_Atom_Count	27
91696	Structure_Complexity	355
69862751	Undefined_Bond_Stereo_Count	0
14990169	Defined_Bond_Stereo_Count	0
20727	Structure_Complexity	63.5
66296	Non-hydrogen_Atom_Count	7
262	TPSA	40.5
18405	TPSA	52.6
4973	Defined_Bond_Stereo_Count	0
10265934	XLogP3-AA	1.9
153874923	Mono_Isotopic_Weight	113.084063974
25001849	Mono_Isotopic_Weight	428.17723029
67172	Hydrogen_Bond_Acceptor_Count	5
43345	Total_Formal_Charge	0
80566	XLogP3	3.1
10560335	Structure_Complexity	152
12562198	Total_Formal_Charge	0
65977	Exact_Mass	216.11100700
11815284	Defined_Bond_Stereo_Count	0
1678	Covalent_Unit_Count	1
48384	Molecular_Weight	271.78
153577917	TPSA	9.2
18198	Mono_Isotopic_Weight	114.068079557
163853278	Molecular_Weight	95.14
53404864	Defined_Bond_Stereo_Count	0
55287853	Structure_Complexity	89.5
701621	Hydrogen_Bond_Donor_Count	1
73267	Mono_Isotopic_Weight	140.058577502
11077530	Molecular_Weight	303.14
21130160	Non-hydrogen_Atom_Count	8
23707296	Hydrogen_Bond_Donor_Count	1
135516644	Undefined_Atom_Stereo_Count	0
130026605	XLogP3-AA	1.5
97065	XLogP3-AA	4
12367599	Isotope_Atom_Count	0
70523	Defined_Atom_Stereo_Count	0
243556	Structure_Complexity	192
11148	Defined_Atom_Stereo_Count	0
22203	Mono_Isotopic_Weight	324.14739250
26533	Mono_Isotopic_Weight	223.10308534
1201546	Exact_Mass	132.96560607
123208701	Mono_Isotopic_Weight	99.104799419
22391	Rotatable_Bond_Count	7
133562785	Rotatable_Bond_Count	19
54173839	Rotatable_Bond_Count	2
57927	Non-hydrogen_Atom_Count	22
71593923	Defined_Bond_Stereo_Count	1
3889	Hydrogen_Bond_Donor_Count	4
86751	Structure_Complexity	97
17836	XLogP3	3
134460917	TPSA	107
92246	Isotope_Atom_Count	0
10964479	TPSA	62.3
9841972	XLogP3-AA	0.9
57387	XLogP3-AA	2
12000240	Mono_Isotopic_Weight	569.17851286
23667626	Hydrogen_Bond_Acceptor_Count	26
73425700	Mono_Isotopic_Weight	518.20419393
70689350	Non-hydrogen_Atom_Count	31
68194	Rotatable_Bond_Count	3
3234	Defined_Atom_Stereo_Count	0
86399	Structure_Complexity	191
40691	Total_Formal_Charge	0
20279	Structure_Complexity	338
374	Exact_Mass	202.01135253
153834924	Hydrogen_Bond_Donor_Count	1
9800194	Covalent_Unit_Count	1
21093905	Isotope_Atom_Count	0
50878566	Isotope_Atom_Count	0
16213460	Hydrogen_Bond_Acceptor_Count	4
123117	Isotope_Atom_Count	0
94834	Rotatable_Bond_Count	0
40230	Non-hydrogen_Atom_Count	15
55262627	Hydrogen_Bond_Donor_Count	2
54419	Covalent_Unit_Count	1
134694008	Rotatable_Bond_Count	14
54169757	Undefined_Atom_Stereo_Count	0
10855384	TPSA	26
12385252	Defined_Atom_Stereo_Count	0
962001	Defined_Bond_Stereo_Count	0
18381089	Undefined_Atom_Stereo_Count	0
79142	Defined_Bond_Stereo_Count	0
3413278	Defined_Atom_Stereo_Count	0
144513	Rotatable_Bond_Count	0
5367222	Tautomer_Count	1
65115	Undefined_Atom_Stereo_Count	0
53316385	Exact_Mass	603.1691619
23058104	Total_Formal_Charge	0
71007	Molecular_Weight	199.29
60846	Isotope_Atom_Count	0
16115	Undefined_Atom_Stereo_Count	0
64646	Molecular_Weight	464.8
69862751	Hydrogen_Bond_Acceptor_Count	2
22242539	Hydrogen_Bond_Donor_Count	1
1964	Non-hydrogen_Atom_Count	23
25380	Hydrogen_Bond_Donor_Count	0
20379467	Structure_Complexity	81.8
44414678	Undefined_Bond_Stereo_Count	0
53930743	Hydrogen_Bond_Acceptor_Count	2
20913	Isotope_Atom_Count	0
2778	Undefined_Bond_Stereo_Count	0
66080	Defined_Bond_Stereo_Count	0
5289590	Isotope_Atom_Count	0
13792373	Hydrogen_Bond_Acceptor_Count	2
12136798	Defined_Bond_Stereo_Count	1
315201	Undefined_Atom_Stereo_Count	2
10321331	Undefined_Bond_Stereo_Count	0
25897919	Defined_Atom_Stereo_Count	3
23666110	Exact_Mass	672.7720
16132350	Hydrogen_Bond_Acceptor_Count	64
144404363	Structure_Complexity	102
3222	TPSA	95.9
73339	Exact_Mass	229.05211239
53903157	Molecular_Weight	42.040
14227	Hydrogen_Bond_Acceptor_Count	1
68026923	Defined_Bond_Stereo_Count	0
23663624	Undefined_Bond_Stereo_Count	0
7007	Tautomer_Count	1
16759173	Defined_Bond_Stereo_Count	0
84106834	Exact_Mass	99.104799419
15016080	Molecular_Weight	112.13
68638786	Covalent_Unit_Count	2
24352	Total_Formal_Charge	0
6433197	Molecular_Weight	518.5
439544	Non-hydrogen_Atom_Count	29
5364711	XLogP3-AA	6.9
59157244	Exact_Mass	114.104465066
78255	XLogP3-AA	6.9
688763	Isotope_Atom_Count	0
10071747	Non-hydrogen_Atom_Count	31
21942786	TPSA	46.3
4543	Tautomer_Count	1
11340940	Total_Formal_Charge	0
953	Structure_Complexity	200
69781756	Defined_Atom_Stereo_Count	0
5367785	Exact_Mass	236.177630004
168924	Molecular_Weight	457.84
10920474	Undefined_Bond_Stereo_Count	0
102175	Defined_Bond_Stereo_Count	0
762556	Isotope_Atom_Count	0
155042170	Covalent_Unit_Count	1
122669	Isotope_Atom_Count	0
49864604	Covalent_Unit_Count	1
2793757	Defined_Atom_Stereo_Count	0
16775060	Undefined_Bond_Stereo_Count	0
16217	XLogP3	6.4
109198	Molecular_Weight	485.7
24582	Undefined_Bond_Stereo_Count	0
2950	Undefined_Bond_Stereo_Count	0
907504	Rotatable_Bond_Count	0
555192	Rotatable_Bond_Count	2
6440792	Defined_Atom_Stereo_Count	1
59809	Isotope_Atom_Count	0
555192	Hydrogen_Bond_Acceptor_Count	5
102262612	Hydrogen_Bond_Acceptor_Count	3
53319118	Exact_Mass	521.25258584
34295	Defined_Bond_Stereo_Count	0
398637	Non-hydrogen_Atom_Count	28
47328	Tautomer_Count	2
13245088	Defined_Atom_Stereo_Count	0
24891700	Exact_Mass	427.20082506
10052040	Exact_Mass	509.1497638
151275184	Undefined_Atom_Stereo_Count	2
68156	Total_Formal_Charge	0
79472	Non-hydrogen_Atom_Count	30
6446980	XLogP3-AA	4.1
158058588	TPSA	15.3
11865437	Isotope_Atom_Count	0
87106789	Undefined_Bond_Stereo_Count	0
104428	Hydrogen_Bond_Donor_Count	0
52941462	Defined_Atom_Stereo_Count	2
4639	Defined_Atom_Stereo_Count	0
14299310	Rotatable_Bond_Count	0
52109	Mono_Isotopic_Weight	358.0963313
579675	Tautomer_Count	10
24808640	Exact_Mass	94.041864811
41097873	Structure_Complexity	494
6987	Undefined_Bond_Stereo_Count	0
68112	Defined_Bond_Stereo_Count	0
16684171	Hydrogen_Bond_Donor_Count	0
13224	Total_Formal_Charge	0
95652	Tautomer_Count	2
202519	Tautomer_Count	11
91847008	Non-hydrogen_Atom_Count	23
17719	Covalent_Unit_Count	1
13867125	Molecular_Weight	288.4
5311035	Undefined_Bond_Stereo_Count	0
449093	Undefined_Bond_Stereo_Count	0
12286866	Covalent_Unit_Count	1
12800099	Exact_Mass	251.10183929
5284570	TPSA	49.8
12934018	Undefined_Bond_Stereo_Count	0
450484	Non-hydrogen_Atom_Count	22
44120162	Undefined_Atom_Stereo_Count	0
12333	Defined_Atom_Stereo_Count	0
44442027	Covalent_Unit_Count	1
77795	TPSA	62.7
3959	Hydrogen_Bond_Acceptor_Count	4
12040509	Mono_Isotopic_Weight	503.13471767
135326	Structure_Complexity	166
54610154	Rotatable_Bond_Count	6
52912189	Defined_Atom_Stereo_Count	1
522105	Isotope_Atom_Count	0
123859265	Undefined_Bond_Stereo_Count	0
12766	Tautomer_Count	1
975620	Exact_Mass	232.0767261
22397445	Rotatable_Bond_Count	4
97669	Defined_Atom_Stereo_Count	0
692366	Rotatable_Bond_Count	3
35365	Defined_Bond_Stereo_Count	0
119202	Structure_Complexity	725
26710	Undefined_Atom_Stereo_Count	0
81382	Non-hydrogen_Atom_Count	30
117781134	Defined_Bond_Stereo_Count	0
18908	Total_Formal_Charge	0
20831824	Hydrogen_Bond_Acceptor_Count	10
5353646	Defined_Bond_Stereo_Count	1
52949803	Mono_Isotopic_Weight	388.11693871
57398260	Exact_Mass	526.16617453
3831985	Defined_Atom_Stereo_Count	0
5281088	Non-hydrogen_Atom_Count	22
16683095	Non-hydrogen_Atom_Count	8
137031	Total_Formal_Charge	0
12452021	Non-hydrogen_Atom_Count	8
101621557	Hydrogen_Bond_Acceptor_Count	3
9519	Undefined_Atom_Stereo_Count	0
151085	Molecular_Weight	104.15
71624581	Molecular_Weight	403.9
618150	TPSA	26.3
135484549	Isotope_Atom_Count	0
11569903	Total_Formal_Charge	0
542381	Hydrogen_Bond_Acceptor_Count	3
13359319	Mono_Isotopic_Weight	114.104465066
145705935	Defined_Atom_Stereo_Count	4
750190	TPSA	78.2
21868057	Molecular_Weight	96.17
9939594	Rotatable_Bond_Count	3
688669	Covalent_Unit_Count	1
71777654	Defined_Atom_Stereo_Count	4
67403	TPSA	60.7
5288075	XLogP3-AA	12.4
537142	Mono_Isotopic_Weight	98.073164938
26323	Exact_Mass	137.9906137
25023837	XLogP3-AA	4.3
18779032	Undefined_Atom_Stereo_Count	0
53469448	TPSA	77
166535	Hydrogen_Bond_Acceptor_Count	6
534283	Structure_Complexity	64.6
10455790	Mono_Isotopic_Weight	438.14920402
54707177	Isotope_Atom_Count	0
125820	Non-hydrogen_Atom_Count	21
55287849	Non-hydrogen_Atom_Count	7
163276251	Hydrogen_Bond_Donor_Count	0
12933279	TPSA	41.1
73081	Defined_Bond_Stereo_Count	0
41211	Undefined_Bond_Stereo_Count	0
517106	Molecular_Weight	236.05
46919879	Isotope_Atom_Count	0
77171	Exact_Mass	560.18669111
89352876	Rotatable_Bond_Count	15
90643	Structure_Complexity	372
11126224	Hydrogen_Bond_Donor_Count	1
72157	Exact_Mass	266.07251349
13388323	Defined_Atom_Stereo_Count	0
735827	Total_Formal_Charge	0
4583824	Exact_Mass	185.060254526
73399	Hydrogen_Bond_Acceptor_Count	6
14274724	Hydrogen_Bond_Acceptor_Count	2
28852	Hydrogen_Bond_Donor_Count	0
11569967	Rotatable_Bond_Count	6
5702279	Hydrogen_Bond_Acceptor_Count	18
21874242	Hydrogen_Bond_Donor_Count	2
501	Undefined_Atom_Stereo_Count	1
20472522	Mono_Isotopic_Weight	94.078250319
35676	Molecular_Weight	214.19
25314	Molecular_Weight	291.8
7343	Mono_Isotopic_Weight	114.068079557
1350	Molecular_Weight	340.18
80428	Isotope_Atom_Count	0
75050	Exact_Mass	314.318480578
32675	Hydrogen_Bond_Donor_Count	1
1549098	Molecular_Weight	153.16
13398	Defined_Atom_Stereo_Count	0
10898648	Undefined_Bond_Stereo_Count	0
56339	Undefined_Atom_Stereo_Count	0
74484	Molecular_Weight	260.99
148708	Molecular_Weight	260.08
15294	Exact_Mass	164.047344113
44123300	Defined_Bond_Stereo_Count	0
720674	Mono_Isotopic_Weight	210.115698455
66628308	Isotope_Atom_Count	0
67240514	Exact_Mass	96.032362755
70544	Non-hydrogen_Atom_Count	14
20297542	Covalent_Unit_Count	1
16371051	Undefined_Bond_Stereo_Count	0
4646	Defined_Bond_Stereo_Count	0
33068	Covalent_Unit_Count	1
7617	Structure_Complexity	92.1
14529	TPSA	20.2
5497171	Hydrogen_Bond_Donor_Count	4
11801	Non-hydrogen_Atom_Count	17
11717831	Undefined_Bond_Stereo_Count	0
373735	Rotatable_Bond_Count	8
11976366	Mono_Isotopic_Weight	334.14814140
8461	Hydrogen_Bond_Donor_Count	0
15072744	XLogP3-AA	3
566503	Hydrogen_Bond_Donor_Count	1
54492709	Exact_Mass	110.048012819
5078130	Defined_Atom_Stereo_Count	0
6918602	Undefined_Bond_Stereo_Count	0
6576	Covalent_Unit_Count	1
728672	Undefined_Atom_Stereo_Count	0
54080009	Covalent_Unit_Count	1
131751341	Defined_Bond_Stereo_Count	1
1549522	Defined_Atom_Stereo_Count	0
3915	Structure_Complexity	681
25217	Hydrogen_Bond_Donor_Count	0
2170	Rotatable_Bond_Count	1
182976	TPSA	103
5086466	Isotope_Atom_Count	0
25137918	Molecular_Weight	476.0
3035657	Isotope_Atom_Count	0
85859507	Mono_Isotopic_Weight	115.063328530
142	Mono_Isotopic_Weight	251.10183929
86216134	Structure_Complexity	91.3
2733335	Defined_Bond_Stereo_Count	0
4796	Non-hydrogen_Atom_Count	33
731361	Undefined_Atom_Stereo_Count	0
54897	TPSA	37.6
524681	Rotatable_Bond_Count	2
5391	Defined_Atom_Stereo_Count	0
3519	Structure_Complexity	256
43471	Defined_Bond_Stereo_Count	0
18200	XLogP3-AA	0.4
3916	Undefined_Atom_Stereo_Count	1
13002936	Exact_Mass	99.068413911
141297532	Total_Formal_Charge	0
3722461	Undefined_Bond_Stereo_Count	0
143255	Defined_Atom_Stereo_Count	0
72728884	Exact_Mass	97.089149355
21491139	TPSA	61.1
735940	Non-hydrogen_Atom_Count	10
62829	Molecular_Weight	302.4
5942099	Undefined_Atom_Stereo_Count	1
79322731	Non-hydrogen_Atom_Count	8
8173	Isotope_Atom_Count	0
48889	Undefined_Atom_Stereo_Count	0
45238	Undefined_Bond_Stereo_Count	0
130144828	Molecular_Weight	110.15
52945780	Molecular_Weight	507.0
33309	XLogP3	2.9
91820610	Non-hydrogen_Atom_Count	30
54236977	Molecular_Weight	100.16
6228	Hydrogen_Bond_Acceptor_Count	1
21823	Mono_Isotopic_Weight	217.110278721
11697676	XLogP3-AA	4.2
85792900	Undefined_Bond_Stereo_Count	0
452110	Rotatable_Bond_Count	40
65037	Hydrogen_Bond_Donor_Count	1
12441297	TPSA	25.8
57174031	Exact_Mass	284.152477885
98468	Tautomer_Count	1
20188	TPSA	68.2
4031	Total_Formal_Charge	0
1238	Defined_Atom_Stereo_Count	0
13465757	Structure_Complexity	261
1331	Defined_Atom_Stereo_Count	0
11954389	Structure_Complexity	899
667483	Mono_Isotopic_Weight	316.12454906
104741	TPSA	76.7
87586559	Rotatable_Bond_Count	0
12674802	TPSA	12.9
54345713	Total_Formal_Charge	0
87114	Non-hydrogen_Atom_Count	17
12241083	Molecular_Weight	299.23
5288706	Exact_Mass	485.27536898
5388936	Rotatable_Bond_Count	6
123854	Defined_Bond_Stereo_Count	0
117659387	Molecular_Weight	110.15
14975831	TPSA	21.3
71640	Total_Formal_Charge	0
5280804	Non-hydrogen_Atom_Count	33
446873	Exact_Mass	169.01400935
6748	Hydrogen_Bond_Acceptor_Count	2
13786729	XLogP3-AA	0.4
558206	Hydrogen_Bond_Acceptor_Count	1
57400481	Structure_Complexity	824
5495	Hydrogen_Bond_Donor_Count	1
57473636	Undefined_Bond_Stereo_Count	0
42890	Undefined_Bond_Stereo_Count	0
21249654	Covalent_Unit_Count	2
9827294	Mono_Isotopic_Weight	499.1654139
45410	Isotope_Atom_Count	0
3049	Non-hydrogen_Atom_Count	20
6127	Rotatable_Bond_Count	2
3000579	Defined_Bond_Stereo_Count	0
130659	Hydrogen_Bond_Acceptor_Count	15
2899204	TPSA	53
124222212	Hydrogen_Bond_Donor_Count	5
13986	Defined_Atom_Stereo_Count	0
129664338	Molecular_Weight	253.4
24211936	Isotope_Atom_Count	0
50367	Isotope_Atom_Count	0
50925625	Defined_Atom_Stereo_Count	1
40512	XLogP3-AA	2
26248	Hydrogen_Bond_Acceptor_Count	8
173411	Hydrogen_Bond_Donor_Count	6
54675830	Tautomer_Count	1
22186211	Exact_Mass	100.052429494
23262897	Rotatable_Bond_Count	1
534283	Isotope_Atom_Count	0
71308614	Rotatable_Bond_Count	18
95978	Undefined_Atom_Stereo_Count	0
2314	Mono_Isotopic_Weight	223.08445790
145567316	Hydrogen_Bond_Donor_Count	1
519466	Undefined_Atom_Stereo_Count	0
53236890	Exact_Mass	387.231062557
7849	Hydrogen_Bond_Donor_Count	0
5702049	Defined_Bond_Stereo_Count	0
232656	Non-hydrogen_Atom_Count	8
8732	Mono_Isotopic_Weight	314.1065020
71449859	Covalent_Unit_Count	1
132274074	Isotope_Atom_Count	0
119098022	Covalent_Unit_Count	1
3000469	Undefined_Bond_Stereo_Count	0
3268	Exact_Mass	519.1344301
23341440	Isotope_Atom_Count	0
75989941	Undefined_Atom_Stereo_Count	2
17351	Structure_Complexity	246
994627	Non-hydrogen_Atom_Count	27
2691	Mono_Isotopic_Weight	499.21793167
15148131	Defined_Bond_Stereo_Count	0
69578	Exact_Mass	94.00303452
44447929	Exact_Mass	400.10053975
141761	Rotatable_Bond_Count	0
2443	Non-hydrogen_Atom_Count	43
4630917	Defined_Atom_Stereo_Count	0
60154326	Mono_Isotopic_Weight	391.07562
89590	XLogP3	1.4
55250378	Covalent_Unit_Count	1
6805	Structure_Complexity	198
10021362	TPSA	73.2
91521	XLogP3	3.3
67615455	Undefined_Bond_Stereo_Count	0
88481084	Exact_Mass	422.36670574
71296969	TPSA	143
6354	Exact_Mass	44.026214747
24848343	Structure_Complexity	289
8551	Structure_Complexity	532
130000966	Rotatable_Bond_Count	1
11454753	Hydrogen_Bond_Acceptor_Count	6
6914605	Rotatable_Bond_Count	6
3616	Exact_Mass	200.152477885
44580386	Mono_Isotopic_Weight	470.14871294
5289396	Defined_Atom_Stereo_Count	16
50925404	Undefined_Bond_Stereo_Count	0
6433076	Structure_Complexity	346
14017	Covalent_Unit_Count	1
3532561	Structure_Complexity	56.6
9416	Total_Formal_Charge	0
59874134	Isotope_Atom_Count	0
4376677	Defined_Bond_Stereo_Count	0
55290981	Structure_Complexity	121
12302691	Isotope_Atom_Count	0
11637	Molecular_Weight	67.52
103565751	Hydrogen_Bond_Acceptor_Count	2
10772948	Hydrogen_Bond_Donor_Count	0
22753620	Undefined_Bond_Stereo_Count	0
258618	Rotatable_Bond_Count	0
9899402	TPSA	24.5
87425	TPSA	54.5
604152	Hydrogen_Bond_Donor_Count	0
10799	Non-hydrogen_Atom_Count	20
9312	Non-hydrogen_Atom_Count	7
72518	Hydrogen_Bond_Donor_Count	5
19092	Isotope_Atom_Count	0
121444434	Hydrogen_Bond_Donor_Count	0
129852452	Total_Formal_Charge	0
6240	TPSA	31.8
27099	Structure_Complexity	0
6450830	Undefined_Bond_Stereo_Count	0
9363	Total_Formal_Charge	0
42762	Mono_Isotopic_Weight	294.045732
49862577	Molecular_Weight	426.5
23647685	Undefined_Bond_Stereo_Count	0
62510	Total_Formal_Charge	0
29385	Hydrogen_Bond_Donor_Count	0
63996	Hydrogen_Bond_Acceptor_Count	4
142123799	Covalent_Unit_Count	1
15560527	Rotatable_Bond_Count	0
2336	Defined_Atom_Stereo_Count	0
154515463	Undefined_Atom_Stereo_Count	1
5047209	Rotatable_Bond_Count	0
14028582	Structure_Complexity	502
142059572	Total_Formal_Charge	0
7566539	Hydrogen_Bond_Acceptor_Count	11
124159	Defined_Atom_Stereo_Count	0
13191055	Defined_Bond_Stereo_Count	0
221961	XLogP3-AA	0.6
2645	XLogP3	0.6
10866664	Undefined_Bond_Stereo_Count	0
25011729	Defined_Bond_Stereo_Count	0
135409548	Exact_Mass	327.09675391
3280	Hydrogen_Bond_Acceptor_Count	5
21803156	Rotatable_Bond_Count	1
64423	Non-hydrogen_Atom_Count	22
54601825	Tautomer_Count	1
28346	Hydrogen_Bond_Donor_Count	1
123618563	Hydrogen_Bond_Donor_Count	0
126456023	Defined_Bond_Stereo_Count	2
56962337	Undefined_Atom_Stereo_Count	0
6915732	Mono_Isotopic_Weight	179.07937252
7895	XLogP3	0.9
18789128	Exact_Mass	101.047678466
15548	Defined_Atom_Stereo_Count	0
25660	Mono_Isotopic_Weight	133.9438534
9901946	TPSA	60.9
328257	Undefined_Bond_Stereo_Count	0
5365976	Rotatable_Bond_Count	5
15927	Mono_Isotopic_Weight	186.99966
13019066	XLogP3-AA	5.1
25227462	Undefined_Bond_Stereo_Count	0
9299	Mono_Isotopic_Weight	312.9859922
90478690	Rotatable_Bond_Count	6
3940691	Non-hydrogen_Atom_Count	16
90921336	Mono_Isotopic_Weight	129.078978594
251636	Isotope_Atom_Count	0
3042	Hydrogen_Bond_Donor_Count	0
71457270	Non-hydrogen_Atom_Count	39
91552	Tautomer_Count	1
6432903	Mono_Isotopic_Weight	204.115029749
14323	Undefined_Atom_Stereo_Count	0
443201	Defined_Atom_Stereo_Count	2
24682	Undefined_Bond_Stereo_Count	0
58806287	Undefined_Bond_Stereo_Count	0
58093	Defined_Bond_Stereo_Count	0
414	Total_Formal_Charge	0
2844	Hydrogen_Bond_Donor_Count	5
7067872	Non-hydrogen_Atom_Count	22
9568077	Rotatable_Bond_Count	6
67517	Tautomer_Count	1
23677676	Tautomer_Count	1
11704019	Total_Formal_Charge	0
73115	Rotatable_Bond_Count	2
17475	Undefined_Atom_Stereo_Count	0
139105	Tautomer_Count	1
43436603	TPSA	44
21595393	Covalent_Unit_Count	1
5473310	Non-hydrogen_Atom_Count	21
9808	Tautomer_Count	1
637996	Total_Formal_Charge	0
11257	Non-hydrogen_Atom_Count	20
23664773	Defined_Bond_Stereo_Count	0
71713793	Rotatable_Bond_Count	3
126969105	Defined_Bond_Stereo_Count	0
21973779	Undefined_Bond_Stereo_Count	0
5783	Hydrogen_Bond_Donor_Count	1
669019	Total_Formal_Charge	0
25015556	Mono_Isotopic_Weight	534.29545371
14931	TPSA	59.3
60198	XLogP3-AA	3.1
66537	Defined_Bond_Stereo_Count	0
44473182	Hydrogen_Bond_Donor_Count	0
4942	Non-hydrogen_Atom_Count	27
23897	Hydrogen_Bond_Acceptor_Count	3
13546	Covalent_Unit_Count	1
23649154	Rotatable_Bond_Count	4
85576	Structure_Complexity	136
68184523	Exact_Mass	106.041864811
814152	TPSA	88.6
694983	Hydrogen_Bond_Acceptor_Count	5
22924775	Mono_Isotopic_Weight	422.33960994
26462	Covalent_Unit_Count	1
4112	Non-hydrogen_Atom_Count	33
18720270	Molecular_Weight	115.13
8076	Total_Formal_Charge	0
53493350	Undefined_Bond_Stereo_Count	0
12441297	Defined_Bond_Stereo_Count	0
18849	Hydrogen_Bond_Donor_Count	0
67180	Molecular_Weight	73.09
139583540	TPSA	140
12218833	Defined_Bond_Stereo_Count	0
62323	Non-hydrogen_Atom_Count	5
11368	TPSA	61.7
56427	Defined_Atom_Stereo_Count	0
61571	Hydrogen_Bond_Donor_Count	0
6418	Covalent_Unit_Count	1
9247	Undefined_Bond_Stereo_Count	0
16987	Defined_Atom_Stereo_Count	0
11006945	Undefined_Atom_Stereo_Count	2
72604488	Mono_Isotopic_Weight	101.058911855
138539	Defined_Bond_Stereo_Count	0
14816327	Undefined_Bond_Stereo_Count	0
248127	Covalent_Unit_Count	1
4403	Mono_Isotopic_Weight	361.07873486
92668	Isotope_Atom_Count	0
68711	Structure_Complexity	653
163090688	XLogP3-AA	2.1
79824	Isotope_Atom_Count	0
1507	TPSA	87.6
547110	Covalent_Unit_Count	1
139307343	Isotope_Atom_Count	0
147165509	XLogP3-AA	2.6
100	Undefined_Bond_Stereo_Count	7
66545759	XLogP3-AA	1.3
2442	Isotope_Atom_Count	0
19438455	Isotope_Atom_Count	0
47750	Hydrogen_Bond_Acceptor_Count	6
9574960	Mono_Isotopic_Weight	385.12086066
4386	Tautomer_Count	7
688363	Exact_Mass	238.08412354
3050410	Exact_Mass	305.1870048
45120354	Hydrogen_Bond_Acceptor_Count	2
62930	Total_Formal_Charge	0
176879	Total_Formal_Charge	0
94972	Defined_Atom_Stereo_Count	0
279305	Non-hydrogen_Atom_Count	8
117616350	Isotope_Atom_Count	0
5902	XLogP3-AA	3.9
10229	TPSA	20.2
83909	XLogP3	3
6710780	Hydrogen_Bond_Donor_Count	3
91618104	Tautomer_Count	1
5399	Tautomer_Count	3
10526	Mono_Isotopic_Weight	398.20932405
68505	Structure_Complexity	28
37270	XLogP3	7.5
28936	TPSA	46.5
132277694	Structure_Complexity	93.9
965784	Hydrogen_Bond_Acceptor_Count	3
554	Isotope_Atom_Count	0
121601231	Total_Formal_Charge	0
139595131	Defined_Atom_Stereo_Count	13
44412	Structure_Complexity	44.1
88300	TPSA	52.6
12933751	Covalent_Unit_Count	1
894278	Hydrogen_Bond_Acceptor_Count	5
77	Covalent_Unit_Count	1
138663	Covalent_Unit_Count	1
9903944	Total_Formal_Charge	0
798	Hydrogen_Bond_Acceptor_Count	0
95961	Structure_Complexity	220
444005	Hydrogen_Bond_Acceptor_Count	7
22278	Undefined_Bond_Stereo_Count	0
20055283	Structure_Complexity	1780
12118	Molecular_Weight	191.27
89875063	TPSA	20.2
54467044	Total_Formal_Charge	0
16129681	Tautomer_Count	1000
61511	Total_Formal_Charge	0
124770289	Undefined_Atom_Stereo_Count	0
55939	Undefined_Bond_Stereo_Count	0
197490	Hydrogen_Bond_Acceptor_Count	6
9870652	Undefined_Atom_Stereo_Count	0
92806	Undefined_Bond_Stereo_Count	0
1277665	Structure_Complexity	96.3
57461895	Defined_Bond_Stereo_Count	0
2733487	Undefined_Atom_Stereo_Count	0
359137	Tautomer_Count	3
6918462	Rotatable_Bond_Count	6
19768091	Total_Formal_Charge	0
62669683	Rotatable_Bond_Count	3
7020642	Mono_Isotopic_Weight	262.13174244
193846	Hydrogen_Bond_Donor_Count	6
56843375	Covalent_Unit_Count	1
24759	Molecular_Weight	776.6
638024	Covalent_Unit_Count	1
5578	TPSA	106
640308	Undefined_Bond_Stereo_Count	0
5361917	Covalent_Unit_Count	2
11437710	Molecular_Weight	289.25
2469	Undefined_Atom_Stereo_Count	8
522287	Isotope_Atom_Count	0
21364247	Structure_Complexity	57.7
53322430	Mono_Isotopic_Weight	320.13855916
10153998	Defined_Bond_Stereo_Count	0
67002565	Mono_Isotopic_Weight	100.100048391
72074	XLogP3-AA	0.4
236115	XLogP3-AA	0.3
2733525	Covalent_Unit_Count	2
5362065	Undefined_Atom_Stereo_Count	0
5547	Defined_Bond_Stereo_Count	0
13204	Exact_Mass	114.068079557
5310957	Covalent_Unit_Count	1
44090	Isotope_Atom_Count	0
16498	TPSA	40.5
13597101	Rotatable_Bond_Count	0
89098888	Non-hydrogen_Atom_Count	8
219093	Exact_Mass	353.0367680
44126083	XLogP3-AA	3.2
4659392	Structure_Complexity	426
21306607	Total_Formal_Charge	0
13394149	Hydrogen_Bond_Acceptor_Count	8
34560	Total_Formal_Charge	0
10986159	Defined_Atom_Stereo_Count	0
21498	Defined_Atom_Stereo_Count	0
135439051	Exact_Mass	262.21172409
72784	Molecular_Weight	277.94
136037280	Covalent_Unit_Count	1
2568	Defined_Atom_Stereo_Count	0
535717	Structure_Complexity	98.3
69325	Structure_Complexity	141
115080007	Hydrogen_Bond_Acceptor_Count	4
137941	Defined_Bond_Stereo_Count	0
62453	Covalent_Unit_Count	1
71451390	Molecular_Weight	475.0
136130	Molecular_Weight	131.05
6439681	Isotope_Atom_Count	0
6730	Exact_Mass	280.0057849
67535	Exact_Mass	189.078978594
34515	Tautomer_Count	2
41968	XLogP3-AA	3.1
78006	XLogP3-AA	2.1
21976318	XLogP3-AA	3.2
93468	Total_Formal_Charge	0
3080714	Undefined_Atom_Stereo_Count	0
2737289	Mono_Isotopic_Weight	168.06989108
10887985	Mono_Isotopic_Weight	138.140850574
9892144	Defined_Atom_Stereo_Count	0
121235530	Structure_Complexity	7640
5282549	Total_Formal_Charge	0
277826	Hydrogen_Bond_Acceptor_Count	1
86453	Molecular_Weight	429.8
54686261	Hydrogen_Bond_Donor_Count	2
88674536	Molecular_Weight	116.11
12950123	Total_Formal_Charge	0
11784975	Tautomer_Count	2
15659	Isotope_Atom_Count	0
23557886	XLogP3-AA	0
13598997	Hydrogen_Bond_Acceptor_Count	2
637927	Covalent_Unit_Count	1
67000	Defined_Atom_Stereo_Count	0
224241	Isotope_Atom_Count	0
5362440	Defined_Bond_Stereo_Count	0
23925	TPSA	0
24405	Exact_Mass	335.15935417
164167667	Total_Formal_Charge	0
11142	TPSA	0
27523	Undefined_Bond_Stereo_Count	0
10701	Hydrogen_Bond_Donor_Count	1
519103	Defined_Atom_Stereo_Count	0
126969014	TPSA	132
30959	Rotatable_Bond_Count	7
702695	Hydrogen_Bond_Acceptor_Count	5
36811	Defined_Bond_Stereo_Count	0
245729	Covalent_Unit_Count	1
9570438	Non-hydrogen_Atom_Count	22
306131	Molecular_Weight	131.17
87635503	Non-hydrogen_Atom_Count	7
818183	Undefined_Bond_Stereo_Count	0
52945260	Mono_Isotopic_Weight	353.13103142
7852	Exact_Mass	59.073499291
3653	Hydrogen_Bond_Acceptor_Count	4
116047519	Total_Formal_Charge	0
798232	Non-hydrogen_Atom_Count	24
521115	Hydrogen_Bond_Donor_Count	1
71624098	Non-hydrogen_Atom_Count	27
73759663	Hydrogen_Bond_Donor_Count	2
303	Rotatable_Bond_Count	4
41088	Undefined_Atom_Stereo_Count	1
54038601	TPSA	9.2
69102	Non-hydrogen_Atom_Count	12
137735	Molecular_Weight	96.13
5791	Exact_Mass	275.1288213
69676	Structure_Complexity	77
10034073	Hydrogen_Bond_Acceptor_Count	18
122077	Total_Formal_Charge	0
15567528	Total_Formal_Charge	0
15920952	Total_Formal_Charge	0
72200722	Undefined_Atom_Stereo_Count	0
5279171	XLogP3-AA	3.3
46437	Hydrogen_Bond_Acceptor_Count	1
362	TPSA	40.5
3623881	XLogP3-AA	2.5
139254656	Isotope_Atom_Count	0
2138	Defined_Atom_Stereo_Count	0
53694406	Defined_Bond_Stereo_Count	0
57391554	Defined_Bond_Stereo_Count	0
468076	Hydrogen_Bond_Acceptor_Count	7
101622923	Defined_Atom_Stereo_Count	0
74823	Covalent_Unit_Count	1
10441653	TPSA	38
142798	Structure_Complexity	112
5765	Tautomer_Count	1
91430	Defined_Bond_Stereo_Count	0
81080	Rotatable_Bond_Count	11
53921772	Exact_Mass	116.047344113
12310714	Defined_Atom_Stereo_Count	2
403591	Undefined_Atom_Stereo_Count	0
44359653	Undefined_Bond_Stereo_Count	0
15504758	Structure_Complexity	113
76485	Undefined_Bond_Stereo_Count	0
21566834	Rotatable_Bond_Count	1
51124	Defined_Bond_Stereo_Count	0
7986	Rotatable_Bond_Count	17
21576696	Rotatable_Bond_Count	9
98181815	Hydrogen_Bond_Donor_Count	1
12389611	Total_Formal_Charge	0
42642648	Structure_Complexity	660
5284439	Defined_Atom_Stereo_Count	0
98043897	TPSA	60.7
20650455	Non-hydrogen_Atom_Count	6
18626413	Hydrogen_Bond_Acceptor_Count	2
1349907	Exact_Mass	114.02516937
153767626	TPSA	29.6
9859	Mono_Isotopic_Weight	262.24720734
2783289	Isotope_Atom_Count	0
13081	Isotope_Atom_Count	0
26009888	Rotatable_Bond_Count	0
141545	Defined_Bond_Stereo_Count	0
17931	Structure_Complexity	403
3398	Rotatable_Bond_Count	3
5353370	Structure_Complexity	236
8765	Hydrogen_Bond_Donor_Count	2
131999	Defined_Bond_Stereo_Count	0
36688207	Hydrogen_Bond_Acceptor_Count	2
12298493	Hydrogen_Bond_Acceptor_Count	2
737374	Defined_Atom_Stereo_Count	0
35970	Total_Formal_Charge	0
86278348	Exact_Mass	562.119621
5497	Tautomer_Count	1
3101	TPSA	0
648	Hydrogen_Bond_Donor_Count	3
71481120	Mono_Isotopic_Weight	485.18318613
510	TPSA	140
779	Non-hydrogen_Atom_Count	8
123239	Isotope_Atom_Count	0
520554	XLogP3-AA	1.2
5326971	Mono_Isotopic_Weight	529.20066941
60155100	Defined_Bond_Stereo_Count	0
5301	Rotatable_Bond_Count	4
9953940	Rotatable_Bond_Count	2
6951123	Covalent_Unit_Count	1
47183	Mono_Isotopic_Weight	362.1761058
23616669	Rotatable_Bond_Count	16
5420	Structure_Complexity	336
49864536	TPSA	72.9
20055397	Covalent_Unit_Count	1
67454	TPSA	0
637760	Hydrogen_Bond_Donor_Count	0
3015	Hydrogen_Bond_Donor_Count	1
84623	Defined_Bond_Stereo_Count	0
443239	Tautomer_Count	1
54678407	Rotatable_Bond_Count	2
651720	TPSA	95.7
10214	Non-hydrogen_Atom_Count	31
31203	Structure_Complexity	291
15140308	Covalent_Unit_Count	1
58137170	Hydrogen_Bond_Acceptor_Count	8
8310	Undefined_Atom_Stereo_Count	0
21635382	Defined_Atom_Stereo_Count	0
18783	Non-hydrogen_Atom_Count	18
6433556	Rotatable_Bond_Count	17
129859073	Hydrogen_Bond_Donor_Count	2
5288453	Mono_Isotopic_Weight	488.12131415
11587584	Molecular_Weight	306.4
54687668	Undefined_Bond_Stereo_Count	0
131841462	Undefined_Atom_Stereo_Count	0
67507057	Structure_Complexity	100
643587	Total_Formal_Charge	0
44455045	Rotatable_Bond_Count	8
5281605	Hydrogen_Bond_Donor_Count	3
69488026	Hydrogen_Bond_Donor_Count	0
17899	Exact_Mass	226.266051085
70678557	Hydrogen_Bond_Donor_Count	78
14896	Mono_Isotopic_Weight	136.125200510
23307900	Defined_Bond_Stereo_Count	0
12885790	Hydrogen_Bond_Acceptor_Count	2
12723433	Structure_Complexity	78.6
97758	Defined_Atom_Stereo_Count	0
48288	Undefined_Atom_Stereo_Count	1
22006231	Defined_Bond_Stereo_Count	0
4332	Covalent_Unit_Count	1
71453618	Undefined_Atom_Stereo_Count	1
25015556	Total_Formal_Charge	0
17541	Hydrogen_Bond_Acceptor_Count	3
144369145	Hydrogen_Bond_Acceptor_Count	2
6322	Covalent_Unit_Count	1
887830	XLogP3-AA	2.3
71317097	TPSA	110
53435160	XLogP3-AA	0.2
7999	Non-hydrogen_Atom_Count	7
5283748	Undefined_Atom_Stereo_Count	0
54685734	Rotatable_Bond_Count	2
22910010	Exact_Mass	112.088815002
77690	XLogP3-AA	3.9
12414297	Total_Formal_Charge	0
13129596	Rotatable_Bond_Count	2
13117013	Hydrogen_Bond_Donor_Count	0
44160	Hydrogen_Bond_Acceptor_Count	3
13033202	Rotatable_Bond_Count	0
59277765	Undefined_Atom_Stereo_Count	0
656598	Hydrogen_Bond_Donor_Count	1
1277665	Molecular_Weight	99.13
60196381	Non-hydrogen_Atom_Count	27
36382	Defined_Bond_Stereo_Count	0
68723	TPSA	57.7
130866606	Undefined_Bond_Stereo_Count	0
4597	Defined_Bond_Stereo_Count	0
59730586	XLogP3-AA	3
129861481	Hydrogen_Bond_Acceptor_Count	2
14578458	Non-hydrogen_Atom_Count	7
33845	Non-hydrogen_Atom_Count	21
232080	Hydrogen_Bond_Donor_Count	1
155925852	Hydrogen_Bond_Acceptor_Count	23
21221940	Total_Formal_Charge	0
11551	Undefined_Atom_Stereo_Count	0
49865963	Defined_Atom_Stereo_Count	7
3791919	Defined_Atom_Stereo_Count	0
70400	Hydrogen_Bond_Donor_Count	0
638026	Undefined_Atom_Stereo_Count	0
89364481	Non-hydrogen_Atom_Count	8
62708	Covalent_Unit_Count	2
41889	XLogP3-AA	2.6
10305301	Hydrogen_Bond_Acceptor_Count	12
1545	Total_Formal_Charge	0
131954673	Exact_Mass	1254.62847470
73648	Molecular_Weight	388.4
121225388	Hydrogen_Bond_Acceptor_Count	12
22061628	Structure_Complexity	98.6
82161	Non-hydrogen_Atom_Count	18
10975462	Rotatable_Bond_Count	5
442966	Covalent_Unit_Count	1
73442840	Total_Formal_Charge	0
21791633	Structure_Complexity	129
16211171	Hydrogen_Bond_Acceptor_Count	4
21880519	Undefined_Bond_Stereo_Count	0
12213589	Defined_Atom_Stereo_Count	0
139356	Isotope_Atom_Count	0
18445434	Undefined_Atom_Stereo_Count	0
542381	Exact_Mass	106.062994177
21887872	Covalent_Unit_Count	2
23669624	Structure_Complexity	184
60942	Non-hydrogen_Atom_Count	53
53835276	Defined_Atom_Stereo_Count	0
11787	TPSA	20.2
154562176	Total_Formal_Charge	0
24361	XLogP3-AA	2.4
62504	Defined_Atom_Stereo_Count	0
11248738	Defined_Bond_Stereo_Count	4
2804680	Rotatable_Bond_Count	2
119082985	Hydrogen_Bond_Acceptor_Count	1
92196	Isotope_Atom_Count	0
117822	Structure_Complexity	356
92765	TPSA	30.9
11256720	Isotope_Atom_Count	0
19991465	Defined_Bond_Stereo_Count	0
54755438	Non-hydrogen_Atom_Count	34
5289289	Undefined_Atom_Stereo_Count	0
9852585	Undefined_Atom_Stereo_Count	0
234485	Molecular_Weight	88.11
25183872	Covalent_Unit_Count	1
101148	Mono_Isotopic_Weight	152.083729621
3664	Rotatable_Bond_Count	5
3301	Hydrogen_Bond_Donor_Count	2
216235	Undefined_Atom_Stereo_Count	0
63198	Structure_Complexity	344
7549	Non-hydrogen_Atom_Count	13
141466486	Undefined_Bond_Stereo_Count	0
227244	Tautomer_Count	1
57257887	Total_Formal_Charge	0
135410906	Hydrogen_Bond_Acceptor_Count	7
22326	Undefined_Bond_Stereo_Count	0
18373078	Exact_Mass	97.016378338
66381	XLogP3	4.2
153798768	Defined_Bond_Stereo_Count	0
35076	Hydrogen_Bond_Donor_Count	3
13184286	Isotope_Atom_Count	0
85653	TPSA	52.6
40459111	Structure_Complexity	370
4920	Non-hydrogen_Atom_Count	23
673166	Covalent_Unit_Count	1
29927670	Isotope_Atom_Count	0
137944176	Covalent_Unit_Count	1
34001	Non-hydrogen_Atom_Count	23
16760577	Mono_Isotopic_Weight	325.17902698
66991180	Undefined_Bond_Stereo_Count	0
6917681	Rotatable_Bond_Count	3
441141	Hydrogen_Bond_Donor_Count	19
5280435	Isotope_Atom_Count	0
56663314	Hydrogen_Bond_Donor_Count	1
928367	XLogP3-AA	1.4
863	Undefined_Bond_Stereo_Count	0
17014	XLogP3-AA	3
9848818	Covalent_Unit_Count	1
23519822	Molecular_Weight	365.5
70882	Defined_Bond_Stereo_Count	0
162883451	Defined_Atom_Stereo_Count	16
10931393	Hydrogen_Bond_Acceptor_Count	2
30488	Defined_Bond_Stereo_Count	0
5842000	Defined_Bond_Stereo_Count	1
59145	Mono_Isotopic_Weight	215.131014166
10134310	Undefined_Bond_Stereo_Count	0
750284	Defined_Bond_Stereo_Count	0
20583864	Non-hydrogen_Atom_Count	8
158800	Defined_Bond_Stereo_Count	0
2723755	Hydrogen_Bond_Acceptor_Count	2
13628993	Mono_Isotopic_Weight	188.013592
89423	Exact_Mass	124.052429494
24597	Mono_Isotopic_Weight	193.847576
3696	Tautomer_Count	9
76337	Mono_Isotopic_Weight	139.04557046
24198	Total_Formal_Charge	0
493592	Defined_Bond_Stereo_Count	0
3721	Molecular_Weight	240.15
752609	Total_Formal_Charge	0
44190035	Undefined_Bond_Stereo_Count	0
124201453	Isotope_Atom_Count	0
42790	Covalent_Unit_Count	3
138349	Structure_Complexity	127
96387	Molecular_Weight	177.24
89741632	Defined_Atom_Stereo_Count	0
8710	Total_Formal_Charge	0
129849	Hydrogen_Bond_Donor_Count	1
68616	TPSA	23.6
45167	Rotatable_Bond_Count	4
5340	Defined_Bond_Stereo_Count	0
15767	Exact_Mass	279.859703
6427770	XLogP3-AA	2.8
115811143	Defined_Atom_Stereo_Count	0
882533	Molecular_Weight	271.31
9868452	Hydrogen_Bond_Acceptor_Count	4
9809	XLogP3	2.5
73895	Mono_Isotopic_Weight	141.02260653
13561474	Non-hydrogen_Atom_Count	8
15752	Structure_Complexity	250
49862574	Total_Formal_Charge	0
441233	Defined_Atom_Stereo_Count	1
24247	XLogP3-AA	2.3
9187	Hydrogen_Bond_Acceptor_Count	1
2735122	Molecular_Weight	84.116
8661	Covalent_Unit_Count	3
5948958	Non-hydrogen_Atom_Count	31
445638	TPSA	37.3
13615995	Mono_Isotopic_Weight	204.13615911
12500500	Hydrogen_Bond_Acceptor_Count	2
12081	Isotope_Atom_Count	0
71317094	Isotope_Atom_Count	13
12313473	Defined_Bond_Stereo_Count	0
15532	TPSA	89.8
3035467	Undefined_Bond_Stereo_Count	0
13496871	XLogP3-AA	0.7
90498	Non-hydrogen_Atom_Count	6
139057564	Hydrogen_Bond_Donor_Count	2
22939741	Undefined_Bond_Stereo_Count	0
33733	Molecular_Weight	426.7
864492	Molecular_Weight	341.4
11740218	Exact_Mass	375.1601214
54344827	Isotope_Atom_Count	0
6000	TPSA	80.6
10142377	Structure_Complexity	878
78027	Undefined_Atom_Stereo_Count	0
10685477	Exact_Mass	298.12050905
8659	Molecular_Weight	284.09
256188	Structure_Complexity	122
6410734	Rotatable_Bond_Count	6
8584	Defined_Bond_Stereo_Count	0
84166	Hydrogen_Bond_Acceptor_Count	4
4597	Defined_Atom_Stereo_Count	0
116864150	Structure_Complexity	107
66569	Covalent_Unit_Count	1
14656	Tautomer_Count	2
4963	Non-hydrogen_Atom_Count	23
62546	Defined_Bond_Stereo_Count	0
68023775	Hydrogen_Bond_Acceptor_Count	1
14532580	Covalent_Unit_Count	1
75502	Total_Formal_Charge	0
134931805	Hydrogen_Bond_Acceptor_Count	1
10254700	Structure_Complexity	506
65263	Rotatable_Bond_Count	32
7762	Total_Formal_Charge	0
3731	Defined_Atom_Stereo_Count	0
13607	Undefined_Bond_Stereo_Count	0
129600764	Defined_Atom_Stereo_Count	10
3335443	Non-hydrogen_Atom_Count	11
44201343	Hydrogen_Bond_Donor_Count	106
29656	Non-hydrogen_Atom_Count	7
6347538	Rotatable_Bond_Count	8
81798	Non-hydrogen_Atom_Count	11
32051	Isotope_Atom_Count	0
14266	Covalent_Unit_Count	1
174048	Tautomer_Count	1
137319715	Hydrogen_Bond_Acceptor_Count	2
13837	Rotatable_Bond_Count	2
23668353	Non-hydrogen_Atom_Count	19
71571512	Non-hydrogen_Atom_Count	36
446611	Molecular_Weight	180.16
14949211	Hydrogen_Bond_Acceptor_Count	1
13349550	Defined_Atom_Stereo_Count	0
12510929	Non-hydrogen_Atom_Count	8
60654	Defined_Bond_Stereo_Count	0
57992058	Undefined_Bond_Stereo_Count	0
54175	Mono_Isotopic_Weight	345.1706861
62788	Defined_Bond_Stereo_Count	0
13299177	Structure_Complexity	111
56665391	Structure_Complexity	617
135403635	TPSA	60.5
101718251	Covalent_Unit_Count	1
161272	Molecular_Weight	555.4
9590	Mono_Isotopic_Weight	141.02260653
11550004	Non-hydrogen_Atom_Count	7
21322859	TPSA	20.3
59503407	Hydrogen_Bond_Donor_Count	5
24860548	Total_Formal_Charge	0
7098663	Non-hydrogen_Atom_Count	12
7156899	Molecular_Weight	342.30
69815	Non-hydrogen_Atom_Count	6
92381	Tautomer_Count	1
10952	Defined_Atom_Stereo_Count	0
91166722	Hydrogen_Bond_Donor_Count	1
99521	Molecular_Weight	195.60
90127780	Hydrogen_Bond_Acceptor_Count	1
16721	Hydrogen_Bond_Acceptor_Count	6
61141	Undefined_Bond_Stereo_Count	0
81764	Covalent_Unit_Count	2
3388710	Isotope_Atom_Count	0
439202	Structure_Complexity	178
87401229	Molecular_Weight	101.10
13378967	Total_Formal_Charge	0
91175918	Hydrogen_Bond_Acceptor_Count	0
138979	Hydrogen_Bond_Donor_Count	0
12222	Mono_Isotopic_Weight	54.010564683
579675	Defined_Atom_Stereo_Count	0
91820610	Hydrogen_Bond_Acceptor_Count	3
24812721	Structure_Complexity	583
107654	Total_Formal_Charge	0
23677992	Undefined_Atom_Stereo_Count	0
18505590	Hydrogen_Bond_Acceptor_Count	3
88464430	Structure_Complexity	80.5
67901	Rotatable_Bond_Count	0
38207	Molecular_Weight	293.4
20437	Total_Formal_Charge	0
447029	Defined_Atom_Stereo_Count	0
66599893	Mono_Isotopic_Weight	453.20524173
9957177	Rotatable_Bond_Count	9
88859271	Hydrogen_Bond_Donor_Count	1
67296898	Mono_Isotopic_Weight	114.068079557
122669	XLogP3-AA	1.8
750284	Defined_Atom_Stereo_Count	0
66295	Hydrogen_Bond_Acceptor_Count	1
6539985	Isotope_Atom_Count	0
69340949	Hydrogen_Bond_Acceptor_Count	2
4289	Covalent_Unit_Count	1
72165	Molecular_Weight	284.35
24848261	Hydrogen_Bond_Donor_Count	2
17549	Mono_Isotopic_Weight	224.04332136
6918204	Defined_Bond_Stereo_Count	0
16665100	Defined_Atom_Stereo_Count	1
118796997	TPSA	12.5
17513	TPSA	157
13344	Exact_Mass	305.8946469
53648493	Mono_Isotopic_Weight	92.062600255
16224456	Hydrogen_Bond_Acceptor_Count	7
99923	Undefined_Atom_Stereo_Count	7
246	Hydrogen_Bond_Acceptor_Count	5
139356	Mono_Isotopic_Weight	451.20669828
6608	Total_Formal_Charge	0
91986	Mono_Isotopic_Weight	187.9795702
233	Mono_Isotopic_Weight	139.909078
72929	Undefined_Atom_Stereo_Count	0
12979476	Undefined_Atom_Stereo_Count	0
67247924	Molecular_Weight	112.13
636857	Exact_Mass	479.24202116
135431244	TPSA	65.2
112680	Molecular_Weight	100.16
1890	TPSA	46.5
23253564	Hydrogen_Bond_Donor_Count	3
97341	Undefined_Atom_Stereo_Count	2
67375395	XLogP3-AA	2.8
19519	Tautomer_Count	1
9793705	Non-hydrogen_Atom_Count	7
254132	Hydrogen_Bond_Donor_Count	1
18364059	Hydrogen_Bond_Acceptor_Count	2
60196329	Hydrogen_Bond_Acceptor_Count	6
79332	Undefined_Bond_Stereo_Count	0
5281066	Non-hydrogen_Atom_Count	38
443074	Defined_Bond_Stereo_Count	0
5964319	Rotatable_Bond_Count	5
185902	Hydrogen_Bond_Acceptor_Count	6
5017	Total_Formal_Charge	0
87823	Isotope_Atom_Count	0
101015849	Hydrogen_Bond_Acceptor_Count	6
10484815	Mono_Isotopic_Weight	694.31870834
60209624	Defined_Atom_Stereo_Count	0
47608	Defined_Bond_Stereo_Count	0
60678	Covalent_Unit_Count	3
65628	Defined_Atom_Stereo_Count	0
44483163	Covalent_Unit_Count	1
121596688	Molecular_Weight	1565.8
6763	Covalent_Unit_Count	1
71356769	Defined_Bond_Stereo_Count	0
58801077	Molecular_Weight	113.16
6559236	Rotatable_Bond_Count	3
180081	XLogP3-AA	2.8
18137	Hydrogen_Bond_Acceptor_Count	3
41506	Exact_Mass	346.13805082
58242	Undefined_Bond_Stereo_Count	0
2967	Tautomer_Count	3
118053313	Defined_Atom_Stereo_Count	0
3711576	Molecular_Weight	293.44
564632	Total_Formal_Charge	0
23519822	TPSA	151
10643403	Non-hydrogen_Atom_Count	25
2777982	Covalent_Unit_Count	1
97815	Structure_Complexity	117
91657	Tautomer_Count	6
9915861	Hydrogen_Bond_Donor_Count	8
10406	Defined_Bond_Stereo_Count	0
501728	Isotope_Atom_Count	0
9613	Non-hydrogen_Atom_Count	8
69333434	Rotatable_Bond_Count	0
12651819	Non-hydrogen_Atom_Count	7
16130295	TPSA	2820
61031	TPSA	17.1
53565	Total_Formal_Charge	0
123264207	Mono_Isotopic_Weight	114.042927438
45256107	Exact_Mass	360.12224039
14563	TPSA	45.8
76134	Total_Formal_Charge	0
18696583	Tautomer_Count	1
57270176	Defined_Bond_Stereo_Count	0
17049	Total_Formal_Charge	0
89790337	Exact_Mass	112.088815002
44462985	Hydrogen_Bond_Acceptor_Count	0
83864777	Hydrogen_Bond_Acceptor_Count	3
10239	Rotatable_Bond_Count	2
71308226	Total_Formal_Charge	0
9863827	Total_Formal_Charge	0
71339534	Undefined_Atom_Stereo_Count	2
14263	Rotatable_Bond_Count	0
4510	Undefined_Atom_Stereo_Count	0
119835	Structure_Complexity	506
71512	Rotatable_Bond_Count	5
8658	Hydrogen_Bond_Donor_Count	0
5978	Defined_Bond_Stereo_Count	0
101955	Exact_Mass	102.0086696
17865	TPSA	9.2
45046073	Isotope_Atom_Count	0
1517	XLogP3-AA	7.5
2071	Molecular_Weight	221.21
15644502	Defined_Atom_Stereo_Count	0
887820	Rotatable_Bond_Count	2
447518	Total_Formal_Charge	0
3085129	Non-hydrogen_Atom_Count	29
2434	Hydrogen_Bond_Acceptor_Count	14
3037131	Hydrogen_Bond_Donor_Count	1
89904392	Total_Formal_Charge	0
140211	Undefined_Atom_Stereo_Count	0
81920	Total_Formal_Charge	0
114523	Molecular_Weight	160.25
14295	TPSA	20.2
542420	TPSA	38
11398092	Total_Formal_Charge	0
5005	Non-hydrogen_Atom_Count	32
4820	Non-hydrogen_Atom_Count	20
961335	Hydrogen_Bond_Acceptor_Count	3
23622962	Exact_Mass	874.54474508
73333	Molecular_Weight	401.5
79723	Molecular_Weight	302.4
1864	Undefined_Atom_Stereo_Count	0
138112	Rotatable_Bond_Count	0
989	Hydrogen_Bond_Acceptor_Count	3
70678896	Covalent_Unit_Count	1
612130	Isotope_Atom_Count	0
13727	Undefined_Bond_Stereo_Count	0
122356	Total_Formal_Charge	0
93189	Molecular_Weight	178.27
85335	Isotope_Atom_Count	0
129627867	Molecular_Weight	374.27
19116	Defined_Atom_Stereo_Count	0
84591	XLogP3-AA	0
88836	Non-hydrogen_Atom_Count	17
137938997	TPSA	21.8
67628	Rotatable_Bond_Count	6
24748573	Non-hydrogen_Atom_Count	25
12476101	Covalent_Unit_Count	1
104234	Molecular_Weight	299.4
63896	Exact_Mass	425.11027
12156911	TPSA	23.8
6364620	Molecular_Weight	791.1
46861612	Non-hydrogen_Atom_Count	30
16222096	TPSA	64.6
17963363	Non-hydrogen_Atom_Count	34
131751505	Hydrogen_Bond_Acceptor_Count	8
6971127	Rotatable_Bond_Count	3
94021	Total_Formal_Charge	0
8167	Total_Formal_Charge	0
19938786	Non-hydrogen_Atom_Count	8
529076	Undefined_Atom_Stereo_Count	0
6451257	XLogP3	0.9
16186010	Hydrogen_Bond_Acceptor_Count	20
134694634	XLogP3-AA	6
84075	Molecular_Weight	551.6
565623	Undefined_Bond_Stereo_Count	0
10772937	Hydrogen_Bond_Donor_Count	0
98150	Exact_Mass	243.16568559
48188	Total_Formal_Charge	0
68643	Molecular_Weight	209.11
157365551	XLogP3-AA	2.5
68986097	Structure_Complexity	496
32872	Undefined_Atom_Stereo_Count	1
18639728	Total_Formal_Charge	0
101142583	Undefined_Bond_Stereo_Count	0
8799	Mono_Isotopic_Weight	359.960203
60196414	XLogP3-AA	4.9
15301053	Total_Formal_Charge	0
26631	Tautomer_Count	2
1894	Undefined_Bond_Stereo_Count	0
135113	Hydrogen_Bond_Donor_Count	0
87279973	TPSA	56.2
637796	Undefined_Atom_Stereo_Count	0
445794	Covalent_Unit_Count	1
57082	Defined_Bond_Stereo_Count	0
7365	Non-hydrogen_Atom_Count	10
75987092	Rotatable_Bond_Count	3
1550823	Non-hydrogen_Atom_Count	10
23003869	Rotatable_Bond_Count	1
141869079	Undefined_Bond_Stereo_Count	0
6603822	Hydrogen_Bond_Donor_Count	3
7525	Mono_Isotopic_Weight	115.099714038
11957713	Total_Formal_Charge	0
6342	Exact_Mass	41.026549100
90658992	Isotope_Atom_Count	0
40826	Undefined_Atom_Stereo_Count	1
12364721	Undefined_Atom_Stereo_Count	0
9800065	Rotatable_Bond_Count	11
62851	Structure_Complexity	288
136219152	XLogP3-AA	4.6
33498	Hydrogen_Bond_Donor_Count	2
91057721	Isotope_Atom_Count	0
23665759	Mono_Isotopic_Weight	115.9641013
123597	Rotatable_Bond_Count	13
124112720	Defined_Atom_Stereo_Count	0
755	Covalent_Unit_Count	1
91386640	TPSA	38.6
314284	Mono_Isotopic_Weight	102.068079557
3000706	Non-hydrogen_Atom_Count	78
40308	Non-hydrogen_Atom_Count	10
114869	Defined_Bond_Stereo_Count	0
21872023	Hydrogen_Bond_Donor_Count	6
158770620	Exact_Mass	114.104465066
20612	Defined_Bond_Stereo_Count	0
1717915	Defined_Bond_Stereo_Count	0
72199624	Defined_Atom_Stereo_Count	0
135410917	Molecular_Weight	274.75
91902981	Undefined_Atom_Stereo_Count	2
154655788	Mono_Isotopic_Weight	112.088815002
14585548	Isotope_Atom_Count	0
145705668	Non-hydrogen_Atom_Count	30
126970904	Non-hydrogen_Atom_Count	8
92174	Molecular_Weight	100.16
9789	Mono_Isotopic_Weight	121.01393355
22349965	Non-hydrogen_Atom_Count	7
7831	Rotatable_Bond_Count	23
448545	Structure_Complexity	834
54	Undefined_Atom_Stereo_Count	6
91229160	Molecular_Weight	111.10
96088	Defined_Bond_Stereo_Count	0
21698764	Hydrogen_Bond_Donor_Count	1
65934	Undefined_Atom_Stereo_Count	1
2471	XLogP3-AA	2.8
11777341	Defined_Bond_Stereo_Count	0
41539	Non-hydrogen_Atom_Count	12
4582877	Hydrogen_Bond_Donor_Count	0
131876601	Hydrogen_Bond_Acceptor_Count	16
8095	XLogP3-AA	0.3
71455340	Isotope_Atom_Count	0
85608271	Non-hydrogen_Atom_Count	8
11062343	Covalent_Unit_Count	1
5748152	Non-hydrogen_Atom_Count	24
85441390	Non-hydrogen_Atom_Count	7
7315	Tautomer_Count	6
145521	Exact_Mass	80.062600255
28794	Non-hydrogen_Atom_Count	18
66813453	Molecular_Weight	101.10
54516038	Non-hydrogen_Atom_Count	8
90479798	Structure_Complexity	1940
1201479	Isotope_Atom_Count	0
65981	Undefined_Bond_Stereo_Count	0
54677971	Defined_Atom_Stereo_Count	0
5246202	Rotatable_Bond_Count	7
135950975	Isotope_Atom_Count	0
10898660	Exact_Mass	101.084063974
3940691	Exact_Mass	224.06847348
21906940	Covalent_Unit_Count	1
712967	Defined_Bond_Stereo_Count	0
39272	Isotope_Atom_Count	0
101815863	Defined_Atom_Stereo_Count	0
6479653	Defined_Bond_Stereo_Count	7
8545	Structure_Complexity	368
12950121	Isotope_Atom_Count	0
61032	TPSA	33
34799	Mono_Isotopic_Weight	205.146664230
11256587	Total_Formal_Charge	0
233085	Non-hydrogen_Atom_Count	25
70682213	Mono_Isotopic_Weight	429.19132300
5459861	Structure_Complexity	176
10885665	Undefined_Bond_Stereo_Count	0
27596	Undefined_Bond_Stereo_Count	0
45120389	Defined_Bond_Stereo_Count	0
88344183	Rotatable_Bond_Count	10
21893495	Hydrogen_Bond_Donor_Count	1
12933341	Covalent_Unit_Count	1
10558601	Hydrogen_Bond_Acceptor_Count	2
11886769	Covalent_Unit_Count	1
14083582	Mono_Isotopic_Weight	114.068079557
9823224	Molecular_Weight	416.6
13996773	TPSA	29.6
3539116	Defined_Atom_Stereo_Count	0
164	Undefined_Bond_Stereo_Count	1
1308	Undefined_Bond_Stereo_Count	0
5518	Rotatable_Bond_Count	1
5234	Hydrogen_Bond_Donor_Count	0
166775	Mono_Isotopic_Weight	666.22185834
49865920	TPSA	55.6
19382908	Rotatable_Bond_Count	2
18698	Molecular_Weight	156.22
944	Total_Formal_Charge	0
13208114	Total_Formal_Charge	0
83864777	TPSA	53.6
119175	Isotope_Atom_Count	0
15482943	XLogP3-AA	1.1
3520	Molecular_Weight	59.07
79441	Non-hydrogen_Atom_Count	15
90695524	Molecular_Weight	108.18
72860	Hydrogen_Bond_Donor_Count	0
72665	Isotope_Atom_Count	0
90657341	Undefined_Atom_Stereo_Count	4
68780878	Non-hydrogen_Atom_Count	30
9016	Mono_Isotopic_Weight	138.068079557
10452732	Tautomer_Count	2
359379	Undefined_Atom_Stereo_Count	0
53315818	Hydrogen_Bond_Donor_Count	2
56673550	Total_Formal_Charge	0
15513	Rotatable_Bond_Count	3
4498243	Undefined_Bond_Stereo_Count	0
8914	Covalent_Unit_Count	1
13649426	Molecular_Weight	248.75
14913584	XLogP3-AA	0.8
6917857	TPSA	83.8
5480	Exact_Mass	316.12454906
31348	Hydrogen_Bond_Acceptor_Count	7
18626426	Total_Formal_Charge	0
5360991	Covalent_Unit_Count	1
11105655	Non-hydrogen_Atom_Count	9
10375	Hydrogen_Bond_Acceptor_Count	4
137076	XLogP3-AA	2
19646	Hydrogen_Bond_Acceptor_Count	6
46231556	Defined_Atom_Stereo_Count	0
170759	Undefined_Bond_Stereo_Count	0
6946312	Non-hydrogen_Atom_Count	10
49862517	TPSA	70.7
12096001	Isotope_Atom_Count	0
165708195	Rotatable_Bond_Count	3
87112	Defined_Bond_Stereo_Count	0
4425	Hydrogen_Bond_Acceptor_Count	5
75064	Mono_Isotopic_Weight	154.02660867
79472	Molecular_Weight	445.3
3554	Hydrogen_Bond_Donor_Count	3
115011049	Undefined_Bond_Stereo_Count	0
164511668	Hydrogen_Bond_Acceptor_Count	6
131801109	Defined_Bond_Stereo_Count	0
38895	Rotatable_Bond_Count	24
253298	Exact_Mass	101.084063974
46203139	Hydrogen_Bond_Acceptor_Count	10
83669980	Structure_Complexity	92.5
25171876	Defined_Bond_Stereo_Count	0
67409219	XLogP3-AA	4.1
5362457	Mono_Isotopic_Weight	585.38180911
135398634	Defined_Bond_Stereo_Count	0
21947198	Molecular_Weight	195.15
36401	Isotope_Atom_Count	0
23516057	Defined_Bond_Stereo_Count	0
60946	Structure_Complexity	579
4262071	Defined_Bond_Stereo_Count	0
43082	Molecular_Weight	357.9
59020	Total_Formal_Charge	0
6918651	Undefined_Atom_Stereo_Count	0
135403804	Rotatable_Bond_Count	2
31247	Defined_Bond_Stereo_Count	0
62477	Exact_Mass	130.099379685
54680690	Mono_Isotopic_Weight	464.0986433
47491	Total_Formal_Charge	0
141487201	Undefined_Atom_Stereo_Count	1
99327	Tautomer_Count	4
124316	Hydrogen_Bond_Acceptor_Count	7
20129	XLogP3-AA	1.6
135442941	Covalent_Unit_Count	2
5488036	Non-hydrogen_Atom_Count	56
135398640	Hydrogen_Bond_Donor_Count	5
6438345	Mono_Isotopic_Weight	476.12283498
75312	Isotope_Atom_Count	0
51947	Exact_Mass	376.09977
5242433	Total_Formal_Charge	1
9469	Isotope_Atom_Count	0
17751819	Undefined_Atom_Stereo_Count	0
2724032	Hydrogen_Bond_Acceptor_Count	1
129628397	TPSA	154
46631	Molecular_Weight	166.60
129600765	Hydrogen_Bond_Acceptor_Count	11
22712811	Undefined_Bond_Stereo_Count	0
9000	Isotope_Atom_Count	0
66908001	Covalent_Unit_Count	1
93	Undefined_Atom_Stereo_Count	0
135409474	Exact_Mass	316.04775529
12729372	Exact_Mass	97.052763847
118024074	Hydrogen_Bond_Donor_Count	2
19962946	Isotope_Atom_Count	0
16678	Isotope_Atom_Count	0
8717	Structure_Complexity	111
90617	Hydrogen_Bond_Acceptor_Count	8
16129629	Tautomer_Count	998
750190	Defined_Atom_Stereo_Count	1
2901	Isotope_Atom_Count	0
4636051	Mono_Isotopic_Weight	385.94736
89534431	Isotope_Atom_Count	0
445	TPSA	32.3
165946121	Non-hydrogen_Atom_Count	8
10296	Mono_Isotopic_Weight	150.068079557
158627	Covalent_Unit_Count	1
53385579	Defined_Atom_Stereo_Count	4
24855	Covalent_Unit_Count	1
28360672	Structure_Complexity	789
13719374	Isotope_Atom_Count	0
14325614	Exact_Mass	105.078978594
193504	Mono_Isotopic_Weight	102.115698455
10930	Defined_Bond_Stereo_Count	0
7568485	TPSA	9.2
60672	Defined_Bond_Stereo_Count	0
54682930	Undefined_Bond_Stereo_Count	0
10461263	Defined_Bond_Stereo_Count	0
81184	Tautomer_Count	3
12933274	Isotope_Atom_Count	0
3814068	XLogP3-AA	2.4
86289378	Isotope_Atom_Count	0
11319223	Isotope_Atom_Count	0
70346812	Hydrogen_Bond_Donor_Count	1
24857	Rotatable_Bond_Count	0
6097177	Mono_Isotopic_Weight	313.8723432
37768	Total_Formal_Charge	0
5282139	Hydrogen_Bond_Acceptor_Count	6
65923	Isotope_Atom_Count	0
87401	Total_Formal_Charge	0
11586735	Undefined_Bond_Stereo_Count	0
22636790	Exact_Mass	116.083729621
60199634	Isotope_Atom_Count	0
86278362	Non-hydrogen_Atom_Count	22
11488320	Total_Formal_Charge	0
20232410	Rotatable_Bond_Count	1
359778	Molecular_Weight	324.2
139079484	Non-hydrogen_Atom_Count	40
73277	XLogP3	0.7
5534	Hydrogen_Bond_Donor_Count	0
60651	Undefined_Bond_Stereo_Count	0
3623	Undefined_Atom_Stereo_Count	3
11954389	Covalent_Unit_Count	2
154419142	Mono_Isotopic_Weight	113.011292958
13186	Hydrogen_Bond_Donor_Count	1
52442	Exact_Mass	323.212338489
89590	Undefined_Atom_Stereo_Count	0
24832040	Undefined_Atom_Stereo_Count	0
36604	TPSA	12
85769	Undefined_Bond_Stereo_Count	0
46224572	Exact_Mass	313.0379949
45358001	Molecular_Weight	315.06
5707	Defined_Bond_Stereo_Count	0
71459864	Rotatable_Bond_Count	18
172306	Isotope_Atom_Count	0
21918160	Total_Formal_Charge	0
150868	Undefined_Atom_Stereo_Count	0
8286	TPSA	0
71249967	Covalent_Unit_Count	1
91282875	Rotatable_Bond_Count	0
122707076	Molecular_Weight	114.15
54261087	TPSA	40.5
53465279	Undefined_Atom_Stereo_Count	0
5702161	Hydrogen_Bond_Donor_Count	6
32897	Exact_Mass	151.099714038
763185	Exact_Mass	254.178298710
445892	Total_Formal_Charge	0
1443	Non-hydrogen_Atom_Count	23
53683458	Non-hydrogen_Atom_Count	7
3301	Exact_Mass	60.068748264
521951	Exact_Mass	379.2026549
1412	Rotatable_Bond_Count	15
201382	Defined_Bond_Stereo_Count	0
227430	TPSA	29
172717	Rotatable_Bond_Count	3
135436533	Undefined_Bond_Stereo_Count	0
194	TPSA	434
19100836	Molecular_Weight	104.15
812042	Non-hydrogen_Atom_Count	26
25159190	Undefined_Atom_Stereo_Count	0
5281082	Total_Formal_Charge	0
66756281	Hydrogen_Bond_Donor_Count	3
5288672	Molecular_Weight	359.8
13302066	Hydrogen_Bond_Acceptor_Count	2
87010	XLogP3-AA	1
21908	Structure_Complexity	310
65188	Rotatable_Bond_Count	0
23695850	Rotatable_Bond_Count	6
44590515	Mono_Isotopic_Weight	500.19587943
60651	Hydrogen_Bond_Acceptor_Count	9
20699949	Hydrogen_Bond_Donor_Count	2
44345665	Defined_Atom_Stereo_Count	0
67054	Undefined_Bond_Stereo_Count	0
29079	Mono_Isotopic_Weight	240.03823598
4747	Defined_Atom_Stereo_Count	0
123676251	Total_Formal_Charge	0
49862519	XLogP3-AA	4.7
10325129	Defined_Bond_Stereo_Count	0
65127	Hydrogen_Bond_Donor_Count	6
15442	Covalent_Unit_Count	1
26318	Tautomer_Count	1
11197	Molecular_Weight	368.6
458420	Mono_Isotopic_Weight	86.02286070
129010331	Defined_Atom_Stereo_Count	1
18430744	Total_Formal_Charge	0
1443	Tautomer_Count	7
8799	Undefined_Bond_Stereo_Count	0
5288670	Non-hydrogen_Atom_Count	33
93706	Undefined_Bond_Stereo_Count	0
18329011	Undefined_Bond_Stereo_Count	0
13649426	Total_Formal_Charge	0
83644	Undefined_Atom_Stereo_Count	0
7532	Hydrogen_Bond_Donor_Count	1
16911	Covalent_Unit_Count	1
43539930	Non-hydrogen_Atom_Count	8
9020	Covalent_Unit_Count	3
9819	Defined_Bond_Stereo_Count	0
6537099	TPSA	26.3
76220109	Rotatable_Bond_Count	1
10909503	Structure_Complexity	57.2
5284533	Total_Formal_Charge	0
701617	XLogP3-AA	3.1
86042	Molecular_Weight	459.4
65535	TPSA	31.8
21896651	Hydrogen_Bond_Acceptor_Count	47
33463	Tautomer_Count	2
161765303	Hydrogen_Bond_Donor_Count	1
5084	Undefined_Bond_Stereo_Count	0
135423095	Non-hydrogen_Atom_Count	28
27492	Rotatable_Bond_Count	2
22125	Defined_Atom_Stereo_Count	0
5287855	Defined_Atom_Stereo_Count	0
21184953	Hydrogen_Bond_Donor_Count	0
122411051	Rotatable_Bond_Count	12
1636	Exact_Mass	488.13412551
128682	Non-hydrogen_Atom_Count	24
12570	Defined_Atom_Stereo_Count	0
10668284	Defined_Atom_Stereo_Count	0
12386878	Non-hydrogen_Atom_Count	6
121098	TPSA	55.8
85500	Undefined_Bond_Stereo_Count	0
55891	Non-hydrogen_Atom_Count	39
637	Defined_Bond_Stereo_Count	0
2131	XLogP3-AA	5.1
36305	Defined_Atom_Stereo_Count	0
62781	Molecular_Weight	149.66
72926	Structure_Complexity	215
16950	Total_Formal_Charge	0
124094	Exact_Mass	522.12722861
13225427	Undefined_Atom_Stereo_Count	0
2762906	TPSA	33.1
133268488	Total_Formal_Charge	0
71737800	Undefined_Atom_Stereo_Count	0
20133182	Structure_Complexity	81.7
121209144	Exact_Mass	113.084063974
11354606	Isotope_Atom_Count	0
98058	XLogP3-AA	0.2
6183357	Tautomer_Count	1001
19601937	TPSA	49.7
5392139	TPSA	63.6
665063	Defined_Bond_Stereo_Count	0
21864086	Defined_Bond_Stereo_Count	0
66509091	Hydrogen_Bond_Donor_Count	5
123468130	Undefined_Bond_Stereo_Count	0
68653619	Non-hydrogen_Atom_Count	17
12550	Total_Formal_Charge	0
19822625	Structure_Complexity	41.4
53665	Exact_Mass	215.914777
656954	Covalent_Unit_Count	1
3085017	Isotope_Atom_Count	0
18467387	Hydrogen_Bond_Donor_Count	2
46205408	Undefined_Atom_Stereo_Count	0
8160	Covalent_Unit_Count	1
736530	Hydrogen_Bond_Acceptor_Count	2
45381907	Mono_Isotopic_Weight	377.11577528
11876	Defined_Atom_Stereo_Count	0
4292413	Undefined_Atom_Stereo_Count	0
493591	Exact_Mass	344.13186158
24849134	Undefined_Bond_Stereo_Count	0
431751	Defined_Atom_Stereo_Count	0
141037332	Undefined_Bond_Stereo_Count	0
3086618	Rotatable_Bond_Count	7
963264	Total_Formal_Charge	0
16155604	Defined_Atom_Stereo_Count	19
153005	Exact_Mass	217.04087901
124600	Covalent_Unit_Count	1
10177	Defined_Bond_Stereo_Count	0
18340	Rotatable_Bond_Count	6
6548	Undefined_Atom_Stereo_Count	1
8041	Defined_Atom_Stereo_Count	0
74736	Structure_Complexity	227
81047	XLogP3-AA	5.3
160944	Covalent_Unit_Count	2
123332	Covalent_Unit_Count	1
7707	Covalent_Unit_Count	1
6604365	Undefined_Atom_Stereo_Count	0
19633	Tautomer_Count	3
57625	Covalent_Unit_Count	3
4912932	Mono_Isotopic_Weight	109.027611728
25380	Defined_Bond_Stereo_Count	0
72034	Exact_Mass	397.1920902
688323	TPSA	41.1
106358	Hydrogen_Bond_Acceptor_Count	4
9576737	Total_Formal_Charge	0
95982	Defined_Atom_Stereo_Count	0
67518	Covalent_Unit_Count	1
116021439	Non-hydrogen_Atom_Count	8
189914	Exact_Mass	450.23257867
21930812	Defined_Bond_Stereo_Count	0
52355	Covalent_Unit_Count	1
91329391	Exact_Mass	110.073164938
694678	Molecular_Weight	312.4
6405709	Defined_Bond_Stereo_Count	0
57656641	Mono_Isotopic_Weight	414.1589315
125110	Isotope_Atom_Count	0
85944292	Hydrogen_Bond_Acceptor_Count	1
63624	Undefined_Atom_Stereo_Count	0
75310475	Isotope_Atom_Count	0
29801	Hydrogen_Bond_Acceptor_Count	3
10953798	Hydrogen_Bond_Donor_Count	0
136505	Isotope_Atom_Count	0
9865223	Rotatable_Bond_Count	4
20587905	Covalent_Unit_Count	2
444913	TPSA	475
6427057	Rotatable_Bond_Count	8
85939688	Defined_Atom_Stereo_Count	0
14813	Undefined_Atom_Stereo_Count	0
20528	Structure_Complexity	395
87468661	Structure_Complexity	124
49868036	Mono_Isotopic_Weight	1355.575224
133611887	Undefined_Atom_Stereo_Count	0
15535343	Defined_Atom_Stereo_Count	0
14265921	Defined_Bond_Stereo_Count	0
86821	Undefined_Bond_Stereo_Count	0
7121	Exact_Mass	182.05790880
14839575	Total_Formal_Charge	0
14337	Total_Formal_Charge	0
19913713	Molecular_Weight	94.07
49342	Exact_Mass	243.09291458
6279	Total_Formal_Charge	0
15983549	TPSA	85.4
14844402	Structure_Complexity	1080
3587356	Structure_Complexity	61
10374415	XLogP3-AA	1.2
705497	Defined_Atom_Stereo_Count	0
20557721	Hydrogen_Bond_Donor_Count	3
66414	Hydrogen_Bond_Donor_Count	2
92251	Hydrogen_Bond_Acceptor_Count	2
42884	Non-hydrogen_Atom_Count	26
1659	Exact_Mass	306.292265831
34692	Defined_Bond_Stereo_Count	0
135565589	Isotope_Atom_Count	0
140409	Rotatable_Bond_Count	1
15945857	Defined_Atom_Stereo_Count	0
100380	Defined_Atom_Stereo_Count	0
56626368	Rotatable_Bond_Count	2
446816	Isotope_Atom_Count	0
817	Molecular_Weight	238.19
94180	Hydrogen_Bond_Acceptor_Count	3
7403	XLogP3	3.9
10355488	Rotatable_Bond_Count	1
9819610	Undefined_Atom_Stereo_Count	0
26185	Molecular_Weight	238.24
24839622	Mono_Isotopic_Weight	5867.566792
71117	Structure_Complexity	535
79192	Hydrogen_Bond_Acceptor_Count	1
413546	Hydrogen_Bond_Donor_Count	0
716312	TPSA	63.3
31863	Total_Formal_Charge	0
136891	TPSA	17.1
56202	Undefined_Atom_Stereo_Count	1
3295461	Covalent_Unit_Count	1
95200	Defined_Bond_Stereo_Count	0
46174049	Exact_Mass	379.867681
15736732	Non-hydrogen_Atom_Count	24
57721	Molecular_Weight	485.5
24284832	Molecular_Weight	115.13
10987348	TPSA	0
87250	XLogP3	3.2
124222418	Covalent_Unit_Count	1
12286866	XLogP3-AA	0.8
4828	TPSA	57.3
16684171	Defined_Bond_Stereo_Count	0
190550	Isotope_Atom_Count	0
71459167	Rotatable_Bond_Count	5
408536	TPSA	23.5
118253852	Total_Formal_Charge	0
443880	Defined_Atom_Stereo_Count	8
12441662	TPSA	20.2
5284360	Total_Formal_Charge	0
76739	Isotope_Atom_Count	0
14151411	Hydrogen_Bond_Donor_Count	2
129796414	Hydrogen_Bond_Donor_Count	0
6440459	Hydrogen_Bond_Donor_Count	10
10246418	Rotatable_Bond_Count	4
192706	Hydrogen_Bond_Acceptor_Count	4
21845	Defined_Bond_Stereo_Count	0
23620992	Total_Formal_Charge	0
7056	XLogP3	4.1
122672143	Molecular_Weight	112.17
10957430	Mono_Isotopic_Weight	296.16237386
68294	Defined_Bond_Stereo_Count	0
6427770	Undefined_Bond_Stereo_Count	0
505	Mono_Isotopic_Weight	354.05766507
138404353	Covalent_Unit_Count	2
9862272	Non-hydrogen_Atom_Count	23
86743193	Hydrogen_Bond_Acceptor_Count	10
13031981	Hydrogen_Bond_Donor_Count	2
439168	Tautomer_Count	4
148821664	Structure_Complexity	127
9950094	Hydrogen_Bond_Donor_Count	1
70991	Molecular_Weight	180.20
135437	Hydrogen_Bond_Acceptor_Count	4
71587019	Structure_Complexity	166
44578651	Covalent_Unit_Count	1
11187581	XLogP3-AA	3.7
5230	Hydrogen_Bond_Donor_Count	2
35161	Hydrogen_Bond_Donor_Count	0
122639	Structure_Complexity	1610
6440180	Tautomer_Count	1
14769	Exact_Mass	101.947821
60746	Mono_Isotopic_Weight	367.0934984
17355	Total_Formal_Charge	0
54054905	Hydrogen_Bond_Acceptor_Count	2
7512	Total_Formal_Charge	0
9890250	TPSA	83.1
19962946	Hydrogen_Bond_Donor_Count	2
54066875	Undefined_Atom_Stereo_Count	0
11162	Undefined_Bond_Stereo_Count	0
44407	Exact_Mass	345.03644
19539	XLogP3	3.9
2456	Isotope_Atom_Count	0
54235966	Structure_Complexity	107
121098	Covalent_Unit_Count	1
15309593	XLogP3-AA	1.2
5702065	Hydrogen_Bond_Donor_Count	1
8438	Mono_Isotopic_Weight	150.031694049
7018	XLogP3	3.7
5817	Defined_Bond_Stereo_Count	0
96198	Structure_Complexity	143
11782763	Exact_Mass	94.041864811
263086	Tautomer_Count	2
5045	Undefined_Atom_Stereo_Count	0
3246941	Structure_Complexity	354
5460626	Defined_Atom_Stereo_Count	0
6620	Undefined_Bond_Stereo_Count	0
84337	Tautomer_Count	2
52939724	Exact_Mass	480.15239891
1194	Total_Formal_Charge	0
13584912	Hydrogen_Bond_Donor_Count	0
13474	Isotope_Atom_Count	0
10555851	Total_Formal_Charge	0
139833631	Undefined_Bond_Stereo_Count	0
562683	Structure_Complexity	386
18386435	Exact_Mass	116.01095860
64647	Covalent_Unit_Count	2
60503	Hydrogen_Bond_Acceptor_Count	2
75564	Total_Formal_Charge	0
48080	Defined_Atom_Stereo_Count	0
71309128	Mono_Isotopic_Weight	186.08351711
131704225	Covalent_Unit_Count	1
8739	Exact_Mass	201.00957888
41684	XLogP3-AA	2
159889	Defined_Bond_Stereo_Count	0
446596	Defined_Bond_Stereo_Count	1
5324584	Structure_Complexity	53.2
35162	Undefined_Atom_Stereo_Count	0
49837	Rotatable_Bond_Count	1
8200	Molecular_Weight	194.23
12478167	Defined_Bond_Stereo_Count	0
70949	Tautomer_Count	9
8718	Molecular_Weight	136.15
3035451	Defined_Atom_Stereo_Count	4
72106	Rotatable_Bond_Count	7
61099	Undefined_Bond_Stereo_Count	0
42174	Defined_Atom_Stereo_Count	0
105426925	TPSA	23.8
253881	Structure_Complexity	2
135398558	Mono_Isotopic_Weight	471.15024603
16120191	Hydrogen_Bond_Acceptor_Count	4
140248	Hydrogen_Bond_Acceptor_Count	5
46841499	Undefined_Bond_Stereo_Count	0
163050676	Rotatable_Bond_Count	0
14911569	Defined_Atom_Stereo_Count	0
202792	Covalent_Unit_Count	1
71311382	TPSA	17.1
9574768	XLogP3-AA	1.9
6444203	Molecular_Weight	690.9
141350568	Total_Formal_Charge	0
25181471	Undefined_Atom_Stereo_Count	0
11556910	Hydrogen_Bond_Acceptor_Count	11
24198694	Covalent_Unit_Count	2
1269	Undefined_Atom_Stereo_Count	4
447340	Covalent_Unit_Count	1
3935589	Undefined_Atom_Stereo_Count	0
99071	Exact_Mass	323.224914549
5373493	Tautomer_Count	2
15267068	Structure_Complexity	103
5284597	Defined_Atom_Stereo_Count	6
5492929	Total_Formal_Charge	0
60044069	Undefined_Bond_Stereo_Count	0
23688976	Defined_Atom_Stereo_Count	0
45852	Structure_Complexity	322
12695899	Mono_Isotopic_Weight	110.073164938
79122	Exact_Mass	98.073164938
5378	XLogP3-AA	1.9
5282489	Structure_Complexity	244
24206429	Defined_Bond_Stereo_Count	0
57541295	Hydrogen_Bond_Donor_Count	1
52936034	Non-hydrogen_Atom_Count	29
7032	Isotope_Atom_Count	0
586156	XLogP3-AA	0.1
13378967	XLogP3-AA	0.8
73346531	TPSA	58.7
50128	Exact_Mass	329.1910276
108046	Molecular_Weight	348.4
3002335	Molecular_Weight	511.6
12155512	Undefined_Atom_Stereo_Count	0
54758034	Defined_Bond_Stereo_Count	0
6950	Structure_Complexity	298
9854230	Defined_Atom_Stereo_Count	17
19471	Covalent_Unit_Count	1
82658	Molecular_Weight	140.18
54267	Non-hydrogen_Atom_Count	5
22404995	Isotope_Atom_Count	0
1551	Total_Formal_Charge	0
186044	Rotatable_Bond_Count	1
31423	Hydrogen_Bond_Donor_Count	0
536683	Molecular_Weight	73.09
152754843	TPSA	68.1
16051969	Hydrogen_Bond_Donor_Count	14
2372	Undefined_Bond_Stereo_Count	0
21407	Hydrogen_Bond_Donor_Count	1
68110	Structure_Complexity	165
6386	Structure_Complexity	25.1
68316842	Covalent_Unit_Count	1
2993	Isotope_Atom_Count	0
53639246	Rotatable_Bond_Count	3
21121497	XLogP3-AA	1.6
11932	Isotope_Atom_Count	0
121972	Defined_Bond_Stereo_Count	0
160139	Defined_Atom_Stereo_Count	3
80283	Non-hydrogen_Atom_Count	7
10453145	Rotatable_Bond_Count	6
23378923	Structure_Complexity	105
22172	Non-hydrogen_Atom_Count	6
136305613	Undefined_Atom_Stereo_Count	0
31000	Mono_Isotopic_Weight	276.1371335
15158	Hydrogen_Bond_Donor_Count	0
12774	Covalent_Unit_Count	1
14784415	XLogP3-AA	0
722	Molecular_Weight	194.14
54350955	Non-hydrogen_Atom_Count	8
138358	TPSA	0
11346	Non-hydrogen_Atom_Count	12
11201358	Rotatable_Bond_Count	2
9846332	XLogP3	2.6
93563	Isotope_Atom_Count	0
5351811	Undefined_Bond_Stereo_Count	0
23649212	Total_Formal_Charge	0
20228407	Isotope_Atom_Count	0
9823820	Undefined_Bond_Stereo_Count	0
9112	Defined_Bond_Stereo_Count	0
524214	Hydrogen_Bond_Donor_Count	0
6571	Defined_Bond_Stereo_Count	0
441326	TPSA	174
40839	Covalent_Unit_Count	1
156618033	Rotatable_Bond_Count	4
52361	Undefined_Atom_Stereo_Count	1
24648	XLogP3-AA	1.2
76860	Total_Formal_Charge	0
22817455	Undefined_Atom_Stereo_Count	0
31361	XLogP3-AA	1.4
52949543	Hydrogen_Bond_Acceptor_Count	8
536111	Undefined_Bond_Stereo_Count	0
63255	Rotatable_Bond_Count	3
2649	Undefined_Bond_Stereo_Count	0
21806052	Structure_Complexity	59.1
89100	Isotope_Atom_Count	0
126830	TPSA	46.5
940	Defined_Atom_Stereo_Count	0
87985965	Defined_Atom_Stereo_Count	0
12589	Defined_Bond_Stereo_Count	0
2775940	Rotatable_Bond_Count	18
11908386	Hydrogen_Bond_Acceptor_Count	11
20626690	Defined_Bond_Stereo_Count	0
7294	Mono_Isotopic_Weight	86.036779430
219105	XLogP3	1.4
9853053	XLogP3-AA	8.6
104553443	Defined_Atom_Stereo_Count	0
14067844	Isotope_Atom_Count	0
11696668	Hydrogen_Bond_Donor_Count	2
22238529	Covalent_Unit_Count	1
12487262	Hydrogen_Bond_Donor_Count	1
756	Defined_Atom_Stereo_Count	0
13291788	Undefined_Atom_Stereo_Count	0
4154719	Hydrogen_Bond_Donor_Count	1
163943218	Exact_Mass	116.083729621
9954114	Defined_Atom_Stereo_Count	0
84078	Hydrogen_Bond_Acceptor_Count	7
2482	Structure_Complexity	174
7750126	Undefined_Bond_Stereo_Count	0
84647702	Defined_Bond_Stereo_Count	0
9948896	Covalent_Unit_Count	1
165337	Hydrogen_Bond_Donor_Count	0
65773	Rotatable_Bond_Count	3
23087774	Undefined_Bond_Stereo_Count	0
9919942	Rotatable_Bond_Count	28
117072551	XLogP3-AA	4.4
11140632	Total_Formal_Charge	0
12302694	Defined_Bond_Stereo_Count	0
87149	Undefined_Bond_Stereo_Count	0
3084049	Hydrogen_Bond_Donor_Count	14
60956	Non-hydrogen_Atom_Count	38
29837	Structure_Complexity	46.8
59772685	Non-hydrogen_Atom_Count	31
9483	Rotatable_Bond_Count	1
31312	Structure_Complexity	880
16219	Molecular_Weight	283.5
27197	Tautomer_Count	1
6326719	Defined_Bond_Stereo_Count	0
16923	Defined_Bond_Stereo_Count	0
44461111	Exact_Mass	242.141913202
24550	Defined_Atom_Stereo_Count	0
268488	Total_Formal_Charge	0
91236903	Hydrogen_Bond_Donor_Count	0
103535	Covalent_Unit_Count	1
7013	Covalent_Unit_Count	1
839	Rotatable_Bond_Count	4
56974851	Hydrogen_Bond_Acceptor_Count	3
12406949	Undefined_Bond_Stereo_Count	0
1101	Molecular_Weight	180.16
76583	Tautomer_Count	1
124220088	Mono_Isotopic_Weight	416.32904526
20387194	Hydrogen_Bond_Acceptor_Count	1
56840904	Hydrogen_Bond_Acceptor_Count	6
3333	Covalent_Unit_Count	1
71449585	Undefined_Bond_Stereo_Count	0
21864560	Defined_Bond_Stereo_Count	0
24879665	Hydrogen_Bond_Acceptor_Count	6
9883002	Covalent_Unit_Count	1
14050	Undefined_Atom_Stereo_Count	1
57596088	Hydrogen_Bond_Acceptor_Count	2
10708	Undefined_Bond_Stereo_Count	0
223579	Defined_Bond_Stereo_Count	0
44627	Tautomer_Count	1
52005	Exact_Mass	340.98519
38988396	Isotope_Atom_Count	0
13432441	Mono_Isotopic_Weight	103.099714038
46936900	Undefined_Atom_Stereo_Count	0
6328200	Hydrogen_Bond_Donor_Count	0
21226129	Defined_Bond_Stereo_Count	0
138402871	Molecular_Weight	812.0
66803155	Exact_Mass	711.29042790
85920	Total_Formal_Charge	0
447607	Non-hydrogen_Atom_Count	10
75619	Covalent_Unit_Count	1
31298	Exact_Mass	190.0161736
356896	Undefined_Atom_Stereo_Count	0
78225453	TPSA	95.5
16687131	Defined_Atom_Stereo_Count	0
66503	Mono_Isotopic_Weight	418.168127949
82418980	Molecular_Weight	112.09
119138	Undefined_Atom_Stereo_Count	0
265776	Defined_Bond_Stereo_Count	0
11495680	Hydrogen_Bond_Acceptor_Count	7
130271321	Hydrogen_Bond_Donor_Count	0
13918	Hydrogen_Bond_Acceptor_Count	1
10101	Mono_Isotopic_Weight	247.157228913
521348	Total_Formal_Charge	0
3791919	Covalent_Unit_Count	1
8445	Hydrogen_Bond_Acceptor_Count	2
706326	Total_Formal_Charge	0
12920383	Undefined_Bond_Stereo_Count	0
66599893	Non-hydrogen_Atom_Count	34
136499	Hydrogen_Bond_Donor_Count	0
439756	Defined_Atom_Stereo_Count	1
119047	Covalent_Unit_Count	1
674754	Rotatable_Bond_Count	3
5311429	Mono_Isotopic_Weight	173.10519334
44183569	Rotatable_Bond_Count	6
22833321	XLogP3-AA	4.7
65482	Hydrogen_Bond_Donor_Count	6
25217	Defined_Atom_Stereo_Count	0
12848394	TPSA	36.3
17961316	Exact_Mass	101.047678466
41257	Tautomer_Count	1
23677927	TPSA	65.6
136591997	TPSA	9.2
44149909	Molecular_Weight	691.9
141019	Molecular_Weight	98.10
18506421	Rotatable_Bond_Count	0
83045	Isotope_Atom_Count	0
139059144	Mono_Isotopic_Weight	264.13615911
15567019	Isotope_Atom_Count	0
211707	Exact_Mass	248.14124450
59009	Undefined_Bond_Stereo_Count	0
135972	Undefined_Bond_Stereo_Count	0
5743836	Defined_Bond_Stereo_Count	0
118540789	Hydrogen_Bond_Donor_Count	1
8246	Total_Formal_Charge	0
65477	Mono_Isotopic_Weight	219.0581549
4494	Structure_Complexity	783
239	Non-hydrogen_Atom_Count	6
134160331	Hydrogen_Bond_Donor_Count	2
123215474	Defined_Bond_Stereo_Count	0
121444434	Defined_Bond_Stereo_Count	0
3486729	Isotope_Atom_Count	0
66908	Covalent_Unit_Count	1
3838852	Undefined_Bond_Stereo_Count	0
5232423	XLogP3	4.7
23729877	Defined_Atom_Stereo_Count	0
21943953	Hydrogen_Bond_Acceptor_Count	2
11112	Undefined_Bond_Stereo_Count	0
41191	Defined_Atom_Stereo_Count	0
57258462	Defined_Bond_Stereo_Count	0
78440	Hydrogen_Bond_Acceptor_Count	7
62280	Non-hydrogen_Atom_Count	85
53645872	Undefined_Bond_Stereo_Count	0
2823078	Rotatable_Bond_Count	4
9904	Non-hydrogen_Atom_Count	20
9843089	Isotope_Atom_Count	0
10301885	Non-hydrogen_Atom_Count	37
6057875	Hydrogen_Bond_Acceptor_Count	14
19090	Exact_Mass	342.21949481
54706138	Mono_Isotopic_Weight	696.2085877
6437063	Undefined_Atom_Stereo_Count	0
10510831	TPSA	27
20140	Tautomer_Count	3
6419706	Structure_Complexity	165
2534	Molecular_Weight	1009.2
19900876	Covalent_Unit_Count	1
390798	Covalent_Unit_Count	1
98790	Hydrogen_Bond_Acceptor_Count	1
7921	Isotope_Atom_Count	0
28125489	Total_Formal_Charge	1
42602949	Rotatable_Bond_Count	10
139079008	Exact_Mass	394.1746323
22281319	Mono_Isotopic_Weight	97.052763847
15250	Exact_Mass	192.115029749
15347676	Molecular_Weight	111.15
522596	Isotope_Atom_Count	0
24891698	Exact_Mass	427.20082506
46898058	Undefined_Atom_Stereo_Count	0
90622	Undefined_Atom_Stereo_Count	0
135491728	Exact_Mass	359.1321926
4174	Defined_Atom_Stereo_Count	0
21713286	Defined_Bond_Stereo_Count	0
52949760	Hydrogen_Bond_Acceptor_Count	4
681110	Covalent_Unit_Count	1
30137	Undefined_Bond_Stereo_Count	0
2722	Covalent_Unit_Count	1
5329020	Hydrogen_Bond_Donor_Count	1
223866	Total_Formal_Charge	0
96350	Defined_Atom_Stereo_Count	0
96770	Molecular_Weight	236.22
53317503	Hydrogen_Bond_Acceptor_Count	7
14964443	Non-hydrogen_Atom_Count	7
10035228	Molecular_Weight	181.15
2146	TPSA	90.4
11447	Total_Formal_Charge	0
6405	Defined_Bond_Stereo_Count	0
10819499	Defined_Bond_Stereo_Count	0
196879	Undefined_Bond_Stereo_Count	0
46304	XLogP3-AA	10.3
72924	Tautomer_Count	5
40391	TPSA	32.7
60936	Defined_Bond_Stereo_Count	0
83669972	Rotatable_Bond_Count	0
30072	Defined_Atom_Stereo_Count	0
14222	Total_Formal_Charge	0
53967	Mono_Isotopic_Weight	184.08479225
85939	Defined_Bond_Stereo_Count	0
22060156	Non-hydrogen_Atom_Count	12
23674889	Rotatable_Bond_Count	2
153791162	Rotatable_Bond_Count	1
5334356	Structure_Complexity	360
135413547	XLogP3-AA	3
44119664	Undefined_Atom_Stereo_Count	0
163304497	Molecular_Weight	852.7
123804812	Hydrogen_Bond_Donor_Count	0
5287969	Total_Formal_Charge	0
123254	Undefined_Atom_Stereo_Count	0
736282	Rotatable_Bond_Count	6
14690973	Defined_Atom_Stereo_Count	0
6324599	Hydrogen_Bond_Donor_Count	1
71496458	Tautomer_Count	6
16732454	Hydrogen_Bond_Donor_Count	2
136874	Defined_Atom_Stereo_Count	0
53386	Covalent_Unit_Count	1
124918602	Isotope_Atom_Count	0
21389	Mono_Isotopic_Weight	348.16985928
9892071	Exact_Mass	497.16542806
15825450	Total_Formal_Charge	0
134436906	Mono_Isotopic_Weight	525.24883788
68363	TPSA	59
51951	Mono_Isotopic_Weight	305.141578849
7048707	Defined_Bond_Stereo_Count	0
38910	Structure_Complexity	58
23685289	TPSA	58.4
951	Isotope_Atom_Count	0
119693	Defined_Bond_Stereo_Count	0
444013	Total_Formal_Charge	0
11213558	Rotatable_Bond_Count	7
21016055	TPSA	20.3
73343	Covalent_Unit_Count	2
43962	TPSA	25.8
136585	Defined_Bond_Stereo_Count	0
157690	Total_Formal_Charge	0
74041115	Non-hydrogen_Atom_Count	7
13538	Isotope_Atom_Count	0
8176	Undefined_Atom_Stereo_Count	0
14536538	Hydrogen_Bond_Donor_Count	1
16750094	Defined_Bond_Stereo_Count	0
12855	Defined_Bond_Stereo_Count	0
18999	Covalent_Unit_Count	1
233979	Covalent_Unit_Count	1
5284359	Structure_Complexity	0
45267632	Non-hydrogen_Atom_Count	33
47912	Defined_Bond_Stereo_Count	0
5368784	Mono_Isotopic_Weight	204.187800766
28495	Molecular_Weight	181.15
445785	Rotatable_Bond_Count	19
5360134	Non-hydrogen_Atom_Count	8
23701721	Undefined_Atom_Stereo_Count	0
61393223	XLogP3-AA	0.8
135440068	Hydrogen_Bond_Acceptor_Count	6
57521	XLogP3-AA	4.3
165609608	Exact_Mass	112.088815002
135779804	Mono_Isotopic_Weight	249.0087234
4369491	Hydrogen_Bond_Donor_Count	3
54793	XLogP3-AA	3.8
14171647	Defined_Bond_Stereo_Count	0
135532295	Tautomer_Count	1
11185559	XLogP3-AA	4.4
48384	Structure_Complexity	242
104	Defined_Atom_Stereo_Count	0
2593	Mono_Isotopic_Weight	615.29630113
67478300	Rotatable_Bond_Count	0
28565	Hydrogen_Bond_Donor_Count	2
117814470	Molecular_Weight	212.13
139073990	Total_Formal_Charge	0
53394675	Rotatable_Bond_Count	1
3384	Total_Formal_Charge	0
15092989	Hydrogen_Bond_Donor_Count	0
51	Covalent_Unit_Count	1
43636	XLogP3-AA	6.1
91566861	Hydrogen_Bond_Acceptor_Count	0
5359597	Rotatable_Bond_Count	0
64402	Undefined_Atom_Stereo_Count	5
129317062	Undefined_Atom_Stereo_Count	1
248333	Total_Formal_Charge	0
13163928	Covalent_Unit_Count	1
21654475	Molecular_Weight	161.54
70723	Exact_Mass	110.073164938
86186	Rotatable_Bond_Count	5
6918406	Total_Formal_Charge	0
833466	Rotatable_Bond_Count	6
6716	Exact_Mass	230.05790880
11654876	Rotatable_Bond_Count	7
247	Rotatable_Bond_Count	1
59693872	Defined_Atom_Stereo_Count	0
1570	Exact_Mass	127.00918496
58195	Non-hydrogen_Atom_Count	26
66837179	Exact_Mass	118.062994177
8974	Defined_Bond_Stereo_Count	0
2781	Rotatable_Bond_Count	6
167085	Rotatable_Bond_Count	0
85689	TPSA	43.4
20387228	Defined_Atom_Stereo_Count	0
10225191	TPSA	71.2
66960	TPSA	3.2
55855	Exact_Mass	280.157563266
11731	Tautomer_Count	1
5715107	Defined_Atom_Stereo_Count	0
88729	Total_Formal_Charge	0
136737979	Isotope_Atom_Count	0
45073445	Total_Formal_Charge	0
4097	Undefined_Bond_Stereo_Count	0
5610	Tautomer_Count	4
398	Tautomer_Count	2
73238	Structure_Complexity	86.5
65578	Covalent_Unit_Count	1
17751002	Isotope_Atom_Count	0
88209	Isotope_Atom_Count	0
10329124	Covalent_Unit_Count	1
9601227	XLogP3	1.7
135565082	Undefined_Bond_Stereo_Count	0
15689273	Molecular_Weight	244.27
160244305	Covalent_Unit_Count	1
25172086	Defined_Atom_Stereo_Count	1
106823823	Defined_Bond_Stereo_Count	0
13788048	Isotope_Atom_Count	0
11396600	Isotope_Atom_Count	0
31013	Covalent_Unit_Count	1
18428363	Exact_Mass	92.037448136
123891134	Rotatable_Bond_Count	1
37137	Hydrogen_Bond_Acceptor_Count	9
154152828	Covalent_Unit_Count	1
74857	Rotatable_Bond_Count	1
5282315	Defined_Bond_Stereo_Count	2
162955683	Undefined_Bond_Stereo_Count	0
51402807	Total_Formal_Charge	0
5281227	Undefined_Bond_Stereo_Count	0
176595	Total_Formal_Charge	0
413497	Non-hydrogen_Atom_Count	20
84420187	Molecular_Weight	192.17
53323739	Covalent_Unit_Count	1
102492967	Hydrogen_Bond_Acceptor_Count	8
62413	TPSA	6.5
3018793	Defined_Bond_Stereo_Count	0
54582513	Exact_Mass	259.242959917
3200	Structure_Complexity	239
1004	Hydrogen_Bond_Donor_Count	3
505711	Defined_Bond_Stereo_Count	0
21702822	Undefined_Bond_Stereo_Count	0
12208570	Defined_Atom_Stereo_Count	0
146280151	Non-hydrogen_Atom_Count	8
59918	Tautomer_Count	3
57372628	Hydrogen_Bond_Acceptor_Count	3
55299417	Isotope_Atom_Count	0
21339586	Total_Formal_Charge	0
88305	Hydrogen_Bond_Donor_Count	4
22016574	Covalent_Unit_Count	1
20508	Undefined_Atom_Stereo_Count	0
3035914	Molecular_Weight	258.32
77996	Total_Formal_Charge	0
147315772	Rotatable_Bond_Count	0
196445	Total_Formal_Charge	0
50258	Non-hydrogen_Atom_Count	21
10931374	Defined_Bond_Stereo_Count	0
6035	Defined_Bond_Stereo_Count	0
6426632	Hydrogen_Bond_Acceptor_Count	10
3032325	Covalent_Unit_Count	1
11199915	Mono_Isotopic_Weight	382.18925731
556888	Total_Formal_Charge	0
234735	Undefined_Bond_Stereo_Count	0
100094	Total_Formal_Charge	0
6440982	Mono_Isotopic_Weight	351.15426879
519543	Mono_Isotopic_Weight	234.07436212
153684595	Molecular_Weight	98.15
160718893	Non-hydrogen_Atom_Count	8
5384200	Undefined_Atom_Stereo_Count	0
2265	Undefined_Bond_Stereo_Count	0
498459	Undefined_Bond_Stereo_Count	0
128814	Defined_Bond_Stereo_Count	0
520168	Defined_Bond_Stereo_Count	0
165706199	Structure_Complexity	1370
21694866	Defined_Atom_Stereo_Count	0
10819	Structure_Complexity	179
10240775	Mono_Isotopic_Weight	103.063328530
139149	Defined_Bond_Stereo_Count	0
11197931	Exact_Mass	318.10675069
56840877	Non-hydrogen_Atom_Count	13
10398490	Isotope_Atom_Count	0
526715	Hydrogen_Bond_Acceptor_Count	5
12511868	XLogP3-AA	1.3
2724144	Molecular_Weight	89.56
674	TPSA	12
285552	Defined_Bond_Stereo_Count	0
558359	Non-hydrogen_Atom_Count	8
53846421	Undefined_Bond_Stereo_Count	2
31134	Isotope_Atom_Count	0
60195811	Undefined_Bond_Stereo_Count	0
135920954	Hydrogen_Bond_Donor_Count	4
20167	Covalent_Unit_Count	1
54466147	Isotope_Atom_Count	0
23992	Mono_Isotopic_Weight	173.9388675
305714	Structure_Complexity	413
66136	Hydrogen_Bond_Acceptor_Count	4
79088	TPSA	60.2
49517	Rotatable_Bond_Count	18
13485	Structure_Complexity	464
24892842	Molecular_Weight	339.5
100413	Defined_Bond_Stereo_Count	0
91196148	Structure_Complexity	2330
135410917	Defined_Atom_Stereo_Count	0
5249209	TPSA	30.7
656635	Hydrogen_Bond_Donor_Count	4
6597	Exact_Mass	127.9431847
53232451	Total_Formal_Charge	0
3335	Structure_Complexity	310
119119	Molecular_Weight	451.16
5702098	Hydrogen_Bond_Acceptor_Count	3
21883050	Isotope_Atom_Count	0
984821	Total_Formal_Charge	0
740525	Covalent_Unit_Count	1
97171	Covalent_Unit_Count	1
164084939	Isotope_Atom_Count	0
71035	Covalent_Unit_Count	1
86578	Hydrogen_Bond_Donor_Count	2
2453	Hydrogen_Bond_Acceptor_Count	2
44630049	Mono_Isotopic_Weight	584.0537694
34001	Molecular_Weight	341.8
2320	Isotope_Atom_Count	0
67247971	Total_Formal_Charge	0
129673373	Non-hydrogen_Atom_Count	31
3035657	Defined_Atom_Stereo_Count	2
640429	Hydrogen_Bond_Donor_Count	1
13315542	XLogP3-AA	3.1
9958188	Covalent_Unit_Count	1
127441	Isotope_Atom_Count	0
9584	Covalent_Unit_Count	1
123637651	Defined_Bond_Stereo_Count	0
121596688	Exact_Mass	1564.87256155
101267449	Rotatable_Bond_Count	13
53262281	Rotatable_Bond_Count	4
6918242	Isotope_Atom_Count	0
160230029	Covalent_Unit_Count	1
44414678	XLogP3-AA	4.3
24838347	Exact_Mass	196.0138511
443716	Undefined_Atom_Stereo_Count	0
16051038	Non-hydrogen_Atom_Count	26
558092	XLogP3-AA	0.1
99453	Tautomer_Count	1
57266564	Undefined_Bond_Stereo_Count	0
520396	Tautomer_Count	1
11457675	Rotatable_Bond_Count	3
9920369	Structure_Complexity	109
54682938	Covalent_Unit_Count	1
2877	XLogP3	1.2
313325	Exact_Mass	418.12638228
45380694	TPSA	91
15178985	Covalent_Unit_Count	1
146159824	Mono_Isotopic_Weight	284.16237386
44349928	Exact_Mass	239.11575802
98495	Non-hydrogen_Atom_Count	11
68511084	Total_Formal_Charge	0
5311068	Exact_Mass	200.131348519
25171648	Undefined_Atom_Stereo_Count	0
193214	Defined_Atom_Stereo_Count	0
946372	Mono_Isotopic_Weight	344.16371127
106358	Rotatable_Bond_Count	12
13861740	Defined_Atom_Stereo_Count	0
1549107	Isotope_Atom_Count	0
4611060	Molecular_Weight	555.85
135616187	Molecular_Weight	359.9
11819055	Undefined_Bond_Stereo_Count	0
162642814	Undefined_Bond_Stereo_Count	0
34794	Covalent_Unit_Count	2
874073	Structure_Complexity	506
6445008	Defined_Bond_Stereo_Count	1
146160078	Mono_Isotopic_Weight	384.17841785
14852098	Total_Formal_Charge	0
451415	Covalent_Unit_Count	1
54580	Hydrogen_Bond_Donor_Count	1
123909	Hydrogen_Bond_Acceptor_Count	24
11514319	TPSA	75.3
21122	Undefined_Atom_Stereo_Count	0
15940870	Hydrogen_Bond_Donor_Count	0
9097	Exact_Mass	166.172150702
124463365	Undefined_Atom_Stereo_Count	0
545809	Molecular_Weight	200.28
2771	Exact_Mass	324.16379146
139592645	Undefined_Bond_Stereo_Count	0
59630744	XLogP3-AA	3.2
9915861	Covalent_Unit_Count	1
15942713	Non-hydrogen_Atom_Count	33
93291	Rotatable_Bond_Count	3
49866023	TPSA	41.6
90953405	TPSA	54
55290887	Structure_Complexity	94
550179	Exact_Mass	250.98639865
90173	Isotope_Atom_Count	0
12329	Defined_Atom_Stereo_Count	0
119525	Hydrogen_Bond_Acceptor_Count	10
76658	Defined_Bond_Stereo_Count	0
135404289	Defined_Atom_Stereo_Count	0
71987	Isotope_Atom_Count	0
86733068	Defined_Atom_Stereo_Count	0
6051	Undefined_Atom_Stereo_Count	0
70258	Exact_Mass	96.021129366
93961272	TPSA	57.2
72823952	Rotatable_Bond_Count	2
17572160	Molecular_Weight	863.3
1610	Structure_Complexity	308
52943269	Defined_Atom_Stereo_Count	1
4510	Non-hydrogen_Atom_Count	15
79014	Hydrogen_Bond_Acceptor_Count	3
31136	Total_Formal_Charge	0
9043	TPSA	58.2
137118	Tautomer_Count	1
4231972	Defined_Atom_Stereo_Count	0
1382043	Total_Formal_Charge	0
158797	Exact_Mass	303.1389920
5466139	Non-hydrogen_Atom_Count	20
24214097	Hydrogen_Bond_Acceptor_Count	4
42645	Defined_Bond_Stereo_Count	0
56673678	Non-hydrogen_Atom_Count	25
89253146	Undefined_Bond_Stereo_Count	0
7980	Hydrogen_Bond_Acceptor_Count	7
3033985	Structure_Complexity	519
3121	Rotatable_Bond_Count	5
5312830	Hydrogen_Bond_Acceptor_Count	3
6918537	Structure_Complexity	523
24901347	Exact_Mass	463.19296297
66755	Defined_Bond_Stereo_Count	0
69017	Covalent_Unit_Count	1
122874	Isotope_Atom_Count	0
10094429	Rotatable_Bond_Count	6
23452200	Undefined_Bond_Stereo_Count	0
5289284	Isotope_Atom_Count	0
10176672	Defined_Bond_Stereo_Count	1
101694728	Undefined_Bond_Stereo_Count	0
542354	Defined_Bond_Stereo_Count	0
3775	Molecular_Weight	353.5
1392	Covalent_Unit_Count	1
154701841	Rotatable_Bond_Count	5
5353593	Total_Formal_Charge	0
20054887	Defined_Atom_Stereo_Count	15
594832	Defined_Bond_Stereo_Count	0
90488914	Rotatable_Bond_Count	6
37508	Structure_Complexity	94.7
96638024	TPSA	25.2
11181836	Undefined_Bond_Stereo_Count	0
155385213	Hydrogen_Bond_Donor_Count	0
23724878	Mono_Isotopic_Weight	1814.6085580
447508	Undefined_Bond_Stereo_Count	0
3796816	Total_Formal_Charge	0
139758	Undefined_Bond_Stereo_Count	0
60196393	Non-hydrogen_Atom_Count	16
62232962	Mono_Isotopic_Weight	112.052429494
5702160	Total_Formal_Charge	0
19830271	Covalent_Unit_Count	1
3781988	Structure_Complexity	609
10931374	TPSA	20.2
417349	Covalent_Unit_Count	1
14810122	Structure_Complexity	109
11417	Mono_Isotopic_Weight	107.073499291
533432	TPSA	20.2
5283313	Hydrogen_Bond_Donor_Count	1
92703	Mono_Isotopic_Weight	374.0781827
2647	Defined_Atom_Stereo_Count	0
3118	Mono_Isotopic_Weight	274.02848036
19027815	Hydrogen_Bond_Acceptor_Count	0
694	Isotope_Atom_Count	0
76355	Hydrogen_Bond_Donor_Count	0
136750	Defined_Atom_Stereo_Count	0
24760653	Exact_Mass	424.0801546
43515	Undefined_Atom_Stereo_Count	1
85325038	Isotope_Atom_Count	0
9852981	XLogP3-AA	2.3
43815	Defined_Atom_Stereo_Count	2
139057564	Covalent_Unit_Count	5
13243	Undefined_Atom_Stereo_Count	0
28610	Defined_Bond_Stereo_Count	0
95578	Non-hydrogen_Atom_Count	10
437719	Undefined_Bond_Stereo_Count	0
102601177	Covalent_Unit_Count	1
10975462	Structure_Complexity	70.1
1469	Exact_Mass	362.28209507
37933	Defined_Atom_Stereo_Count	2
53384934	Isotope_Atom_Count	0
24802109	Rotatable_Bond_Count	6
10927	Total_Formal_Charge	0
2723704	Isotope_Atom_Count	0
143403310	Hydrogen_Bond_Donor_Count	2
53803	Tautomer_Count	1
16725726	Exact_Mass	425.21753775
3140	Tautomer_Count	1
225568	Structure_Complexity	138
471360	Non-hydrogen_Atom_Count	13
11314197	Isotope_Atom_Count	0
6914	Hydrogen_Bond_Donor_Count	1
70978	Covalent_Unit_Count	1
44230575	Non-hydrogen_Atom_Count	34
146367450	Molecular_Weight	284.35
5281707	Total_Formal_Charge	0
58463204	Isotope_Atom_Count	0
532	Undefined_Atom_Stereo_Count	6
391144	Undefined_Atom_Stereo_Count	0
23160101	Defined_Atom_Stereo_Count	0
11029805	Molecular_Weight	116.11
67121664	Exact_Mass	112.088815002
143886	Non-hydrogen_Atom_Count	8
445715	Isotope_Atom_Count	0
526739	Hydrogen_Bond_Donor_Count	0
157727	Covalent_Unit_Count	1
3074827	Non-hydrogen_Atom_Count	18
9854489	Undefined_Bond_Stereo_Count	0
10309028	Molecular_Weight	356.4
45933578	Hydrogen_Bond_Acceptor_Count	14
13526	Hydrogen_Bond_Acceptor_Count	5
847313	Undefined_Bond_Stereo_Count	0
11083832	Non-hydrogen_Atom_Count	7
229932	Rotatable_Bond_Count	1
398513	Defined_Bond_Stereo_Count	0
99748	Hydrogen_Bond_Acceptor_Count	2
61305	Covalent_Unit_Count	1
137224318	Molecular_Weight	500.5
3514	Total_Formal_Charge	0
6443013	TPSA	57.5
129774195	Rotatable_Bond_Count	0
14906718	Hydrogen_Bond_Donor_Count	2
11768544	Isotope_Atom_Count	0
448265	Tautomer_Count	1
506605	Covalent_Unit_Count	1
11051586	Rotatable_Bond_Count	2
6469	Molecular_Weight	261.36
16760285	Non-hydrogen_Atom_Count	15
8079	Total_Formal_Charge	0
136195727	Exact_Mass	304.09939694
87438804	Exact_Mass	104.094963011
151039	Mono_Isotopic_Weight	100.088815002
90643	Hydrogen_Bond_Acceptor_Count	0
97637	Total_Formal_Charge	0
60794	Mono_Isotopic_Weight	814.2185717
3478	Undefined_Atom_Stereo_Count	0
9940312	TPSA	12
22833454	TPSA	26
44338785	Hydrogen_Bond_Donor_Count	4
4578	Rotatable_Bond_Count	3
44309990	Exact_Mass	369.1374678
92950	Defined_Atom_Stereo_Count	0
6427485	Undefined_Bond_Stereo_Count	0
70540665	Defined_Bond_Stereo_Count	0
315165	Hydrogen_Bond_Donor_Count	1
131634493	Undefined_Bond_Stereo_Count	0
72142	Hydrogen_Bond_Donor_Count	1
3871	Molecular_Weight	344.31
8615	XLogP3	4.2
1548886	Undefined_Bond_Stereo_Count	0
12285892	Undefined_Bond_Stereo_Count	0
71381729	Total_Formal_Charge	0
28060	Covalent_Unit_Count	1
30143	Defined_Bond_Stereo_Count	0
11396600	Hydrogen_Bond_Donor_Count	2
30380	Structure_Complexity	203
53788450	Structure_Complexity	88.5
2963	Rotatable_Bond_Count	1
38531	TPSA	19
57417458	Defined_Bond_Stereo_Count	0
46173706	Structure_Complexity	641
93128	TPSA	35.5
72679314	Rotatable_Bond_Count	13
32209	Non-hydrogen_Atom_Count	19
24987688	Defined_Atom_Stereo_Count	8
83872	Exact_Mass	258.11504700
3661	Non-hydrogen_Atom_Count	21
977	Covalent_Unit_Count	1
31204	Defined_Bond_Stereo_Count	0
111878	Total_Formal_Charge	0
4202286	Mono_Isotopic_Weight	740.26218198
68713	Defined_Bond_Stereo_Count	0
122130476	Undefined_Bond_Stereo_Count	0
7096	Hydrogen_Bond_Donor_Count	1
15930578	Isotope_Atom_Count	0
11521070	TPSA	29.1
10462	Undefined_Atom_Stereo_Count	0
72396	Undefined_Bond_Stereo_Count	0
16211009	Defined_Atom_Stereo_Count	0
92550	Tautomer_Count	1
5489948	Defined_Atom_Stereo_Count	2
71584419	Hydrogen_Bond_Donor_Count	2
560256	Covalent_Unit_Count	2
59814883	Hydrogen_Bond_Acceptor_Count	1
11852	Molecular_Weight	488.59
11514319	Molecular_Weight	249.26
23525993	Structure_Complexity	91.1
66683200	Undefined_Bond_Stereo_Count	0
71517869	Non-hydrogen_Atom_Count	34
91563	Isotope_Atom_Count	0
9093	Total_Formal_Charge	0
87671146	Covalent_Unit_Count	1
54695720	Mono_Isotopic_Weight	407.999111
8418	Isotope_Atom_Count	0
19418150	Hydrogen_Bond_Donor_Count	1
1211493	Undefined_Atom_Stereo_Count	0
447480	Defined_Atom_Stereo_Count	0
6432061	Hydrogen_Bond_Acceptor_Count	0
135418373	Defined_Bond_Stereo_Count	0
16133793	Isotope_Atom_Count	0
124602261	Rotatable_Bond_Count	10
95229	Defined_Bond_Stereo_Count	0
92268	Structure_Complexity	342
984454	Molecular_Weight	424.9
20058	Structure_Complexity	660
10889178	Undefined_Bond_Stereo_Count	0
87187299	Defined_Bond_Stereo_Count	0
5491394	Hydrogen_Bond_Donor_Count	3
7170	Total_Formal_Charge	0
96772	Defined_Bond_Stereo_Count	0
76223462	Molecular_Weight	101.15
23488	Structure_Complexity	213
6431771	Hydrogen_Bond_Donor_Count	3
9795276	Total_Formal_Charge	0
517106	Defined_Bond_Stereo_Count	0
5369129	Total_Formal_Charge	0
5362527	Hydrogen_Bond_Acceptor_Count	5
93205	Covalent_Unit_Count	1
139078414	Total_Formal_Charge	0
58098237	Hydrogen_Bond_Acceptor_Count	0
3011721	Hydrogen_Bond_Acceptor_Count	6
115208	Isotope_Atom_Count	0
4180	Mono_Isotopic_Weight	293.03675924
38963	Hydrogen_Bond_Donor_Count	2
3889	Exact_Mass	520.10124741
74458	Defined_Atom_Stereo_Count	0
92089	Hydrogen_Bond_Acceptor_Count	5
5362457	Molecular_Weight	585.8
22323244	Defined_Atom_Stereo_Count	0
22602664	Defined_Bond_Stereo_Count	0
868	Undefined_Atom_Stereo_Count	0
3447	Structure_Complexity	400
89306	Hydrogen_Bond_Acceptor_Count	2
44263854	Structure_Complexity	525
16097	Undefined_Bond_Stereo_Count	0
96090	Hydrogen_Bond_Acceptor_Count	2
68068	Defined_Atom_Stereo_Count	0
3082518	Defined_Atom_Stereo_Count	4
57280823	Covalent_Unit_Count	1
14923	Total_Formal_Charge	0
8926	Hydrogen_Bond_Donor_Count	1
17750876	TPSA	190
3389	Isotope_Atom_Count	0
643774	Rotatable_Bond_Count	0
22754629	XLogP3-AA	0.5
139254081	Mono_Isotopic_Weight	616.34721450
20601501	Rotatable_Bond_Count	2
267493	Exact_Mass	259.05930578
54375073	Covalent_Unit_Count	1
13017912	Hydrogen_Bond_Acceptor_Count	9
23714994	Defined_Atom_Stereo_Count	0
2724123	XLogP3-AA	1.3
5329102	Exact_Mass	398.21180428
69833	Structure_Complexity	55.4
6450551	Molecular_Weight	386.5
26868	Defined_Atom_Stereo_Count	0
12509715	Hydrogen_Bond_Acceptor_Count	1
74120	Defined_Bond_Stereo_Count	0
1195	Exact_Mass	246.00582671
521207	Non-hydrogen_Atom_Count	15
38145	Covalent_Unit_Count	1
9896827	XLogP3-AA	2.7
44630049	Total_Formal_Charge	0
36209	Tautomer_Count	1
28871	TPSA	78.4
112322	Molecular_Weight	155.24
58191	Covalent_Unit_Count	1
89742272	Molecular_Weight	180.16
7482	Molecular_Weight	171.58
22124932	Rotatable_Bond_Count	0
17868	Isotope_Atom_Count	0
18730080	XLogP3-AA	3
25023836	Rotatable_Bond_Count	7
58265621	TPSA	24.1
17986197	Structure_Complexity	156
105000	Mono_Isotopic_Weight	301.17902698
20666035	Hydrogen_Bond_Donor_Count	0
10784	Hydrogen_Bond_Acceptor_Count	1
50993726	Rotatable_Bond_Count	6
3036235	TPSA	141
285366	Total_Formal_Charge	0
7969	Non-hydrogen_Atom_Count	7
5280980	Covalent_Unit_Count	1
31389	Total_Formal_Charge	0
6918188	Hydrogen_Bond_Acceptor_Count	9
563446	Isotope_Atom_Count	0
140334	Non-hydrogen_Atom_Count	14
61293	Non-hydrogen_Atom_Count	11
12850587	Structure_Complexity	439
20728717	Mono_Isotopic_Weight	115.099714038
30550	Undefined_Bond_Stereo_Count	0
5074	Mono_Isotopic_Weight	477.16863993
97815	Molecular_Weight	96.13
6337	Tautomer_Count	1
124427925	Defined_Atom_Stereo_Count	10
547686	Undefined_Bond_Stereo_Count	0
3818	Hydrogen_Bond_Donor_Count	3
11829353	Covalent_Unit_Count	1
93286	Undefined_Bond_Stereo_Count	0
135476778	Defined_Bond_Stereo_Count	0
44260118	TPSA	267
91585	Defined_Bond_Stereo_Count	0
22063278	Mono_Isotopic_Weight	97.089149355
668649	Undefined_Atom_Stereo_Count	0
14985552	Mono_Isotopic_Weight	107.073499291
9549179	Hydrogen_Bond_Acceptor_Count	11
3011527	Non-hydrogen_Atom_Count	26
3706	Defined_Atom_Stereo_Count	0
13611190	Defined_Atom_Stereo_Count	0
129864127	Undefined_Bond_Stereo_Count	0
94229	Hydrogen_Bond_Donor_Count	1
83556	Molecular_Weight	364.0
11073538	Defined_Bond_Stereo_Count	0
62436	Structure_Complexity	230
13437377	Hydrogen_Bond_Donor_Count	1
7114	Hydrogen_Bond_Acceptor_Count	2
20691	Hydrogen_Bond_Acceptor_Count	1
3614	Isotope_Atom_Count	0
77245	TPSA	0
9359	Molecular_Weight	124.784
6710735	Isotope_Atom_Count	0
39800	Rotatable_Bond_Count	0
6435808	Non-hydrogen_Atom_Count	18
25254	Non-hydrogen_Atom_Count	6
52038	Defined_Bond_Stereo_Count	0
73101855	Rotatable_Bond_Count	11
117190135	TPSA	61.3
123286573	Rotatable_Bond_Count	3
104635	Covalent_Unit_Count	1
3083585	Mono_Isotopic_Weight	176.047344113
68486699	Hydrogen_Bond_Donor_Count	2
101074209	Defined_Atom_Stereo_Count	15
44557554	Hydrogen_Bond_Donor_Count	2
57393451	Mono_Isotopic_Weight	671.26744835
61080	Defined_Bond_Stereo_Count	0
83075	Exact_Mass	271.20216773
6327428	Undefined_Bond_Stereo_Count	0
2684	Covalent_Unit_Count	1
20448997	Non-hydrogen_Atom_Count	7
71584405	Hydrogen_Bond_Donor_Count	2
11717831	Structure_Complexity	629
18597	Exact_Mass	150.104465066
5081356	Mono_Isotopic_Weight	534.95758307
122797	Hydrogen_Bond_Donor_Count	2
112030	Total_Formal_Charge	0
123134270	Structure_Complexity	2330
2072949	Undefined_Atom_Stereo_Count	0
19067979	Undefined_Atom_Stereo_Count	0
921	Undefined_Bond_Stereo_Count	0
11083822	Hydrogen_Bond_Acceptor_Count	1
77929	Molecular_Weight	220.25
22600970	Mono_Isotopic_Weight	120.078644241
2723866	Covalent_Unit_Count	2
5149	Total_Formal_Charge	0
76883	Undefined_Bond_Stereo_Count	0
69204	Non-hydrogen_Atom_Count	8
20035332	Mono_Isotopic_Weight	84.057514874
19169	Defined_Atom_Stereo_Count	0
141343693	Total_Formal_Charge	0
24858870	Defined_Atom_Stereo_Count	3
55113	Covalent_Unit_Count	1
7812	Defined_Bond_Stereo_Count	0
134393564	Non-hydrogen_Atom_Count	8
20787	Undefined_Atom_Stereo_Count	0
19066	Hydrogen_Bond_Donor_Count	2
89518751	Hydrogen_Bond_Donor_Count	8
2572037	XLogP3-AA	3.3
111206	XLogP3-AA	1.4
14682	TPSA	0
14233	Non-hydrogen_Atom_Count	8
91827799	Rotatable_Bond_Count	1
7355	XLogP3-AA	1.9
6717	Structure_Complexity	461
19423644	Non-hydrogen_Atom_Count	7
17864	Structure_Complexity	28.7
3796640	Total_Formal_Charge	0
11006945	Undefined_Bond_Stereo_Count	0
85325038	Hydrogen_Bond_Donor_Count	2
14872190	Total_Formal_Charge	0
8654	Undefined_Bond_Stereo_Count	0
47445	Defined_Bond_Stereo_Count	0
124605148	Defined_Atom_Stereo_Count	14
60195903	Covalent_Unit_Count	1
13373005	Total_Formal_Charge	0
5352621	Covalent_Unit_Count	1
42611257	Defined_Atom_Stereo_Count	0
10892	Undefined_Atom_Stereo_Count	0
18369938	Rotatable_Bond_Count	1
6419928	Rotatable_Bond_Count	4
21924481	Isotope_Atom_Count	0
16132954	Hydrogen_Bond_Acceptor_Count	22
23362724	Undefined_Bond_Stereo_Count	0
15942713	Structure_Complexity	569
10931370	TPSA	9.2
53249535	Defined_Atom_Stereo_Count	0
134129858	Hydrogen_Bond_Acceptor_Count	7
23667627	Total_Formal_Charge	0
142901	TPSA	17.1
153643637	Exact_Mass	99.068413911
8883	Hydrogen_Bond_Donor_Count	2
22477304	Undefined_Bond_Stereo_Count	0
87689	Defined_Bond_Stereo_Count	0
60148380	Defined_Bond_Stereo_Count	0
291730	Hydrogen_Bond_Acceptor_Count	8
58420727	Rotatable_Bond_Count	6
4283516	Molecular_Weight	665.7
137184495	Rotatable_Bond_Count	8
5488547	Hydrogen_Bond_Acceptor_Count	7
12352598	Covalent_Unit_Count	1
637885	TPSA	58.9
77018	Isotope_Atom_Count	0
9797857	XLogP3-AA	2.6
15166	Mono_Isotopic_Weight	156.151415257
1603	TPSA	279
3032732	Rotatable_Bond_Count	9
19395	Hydrogen_Bond_Donor_Count	0
9131	Covalent_Unit_Count	1
915	Total_Formal_Charge	0
53103	TPSA	17
1466	Hydrogen_Bond_Donor_Count	2
98810	Undefined_Bond_Stereo_Count	0
1338	Defined_Bond_Stereo_Count	0
14063315	Undefined_Bond_Stereo_Count	0
975620	TPSA	24.9
53710320	Non-hydrogen_Atom_Count	7
6435068	Structure_Complexity	574
44631912	Undefined_Bond_Stereo_Count	0
8843	Non-hydrogen_Atom_Count	11
138979	Defined_Atom_Stereo_Count	0
705228	Molecular_Weight	348.4
89349947	Defined_Atom_Stereo_Count	0
114687	Structure_Complexity	380
147078	TPSA	156
72200865	Rotatable_Bond_Count	12
20791685	Isotope_Atom_Count	0
44603531	Covalent_Unit_Count	1
9085	Structure_Complexity	189
7667	Rotatable_Bond_Count	1
69341269	Total_Formal_Charge	0
94811	Non-hydrogen_Atom_Count	6
49937	Hydrogen_Bond_Donor_Count	1
79037	Non-hydrogen_Atom_Count	9
17799404	Non-hydrogen_Atom_Count	8
129801132	Non-hydrogen_Atom_Count	9
8502	TPSA	62.9
57371080	Undefined_Bond_Stereo_Count	0
65979	TPSA	36.4
13915315	Defined_Atom_Stereo_Count	0
20666035	TPSA	34.1
20903	Exact_Mass	126.068079557
6997338	Rotatable_Bond_Count	0
24867472	Defined_Atom_Stereo_Count	4
9865528	Covalent_Unit_Count	1
14714356	Undefined_Bond_Stereo_Count	0
4451	Molecular_Weight	567.8
59433	XLogP3-AA	3.1
68499424	Non-hydrogen_Atom_Count	7
6439819	Mono_Isotopic_Weight	388.24610348
6984	Hydrogen_Bond_Acceptor_Count	1
35075	Covalent_Unit_Count	1
135564655	Undefined_Atom_Stereo_Count	0
118210179	Defined_Atom_Stereo_Count	0
21058	Rotatable_Bond_Count	6
31356	Mono_Isotopic_Weight	691.58082
448575	Mono_Isotopic_Weight	882.14215327
9823887	Rotatable_Bond_Count	7
8897	Isotope_Atom_Count	0
51622	XLogP3	3.1
104973	Covalent_Unit_Count	1
135989	Hydrogen_Bond_Acceptor_Count	0
12674607	Molecular_Weight	85.15
23350	Non-hydrogen_Atom_Count	7
95285	Tautomer_Count	4
82650934	Undefined_Bond_Stereo_Count	0
33845	Defined_Bond_Stereo_Count	0
5284361	Undefined_Atom_Stereo_Count	6
14443	Exact_Mass	428.23112213
227260	XLogP3-AA	2.2
88578918	Covalent_Unit_Count	1
2133	Undefined_Bond_Stereo_Count	0
102590130	Rotatable_Bond_Count	96
141053308	Isotope_Atom_Count	0
10276115	XLogP3-AA	4.7
20535613	Hydrogen_Bond_Donor_Count	0
67356	Total_Formal_Charge	0
55414	Undefined_Bond_Stereo_Count	0
584667	XLogP3-AA	3.9
137701808	Covalent_Unit_Count	1
5301	Undefined_Bond_Stereo_Count	0
26470418	Hydrogen_Bond_Donor_Count	8
71470	Mono_Isotopic_Weight	518.26798174
123249588	Mono_Isotopic_Weight	416.32904526
53993480	Covalent_Unit_Count	1
20827794	Non-hydrogen_Atom_Count	7
64156	Undefined_Atom_Stereo_Count	0
12559	Exact_Mass	1017.73277158
53952865	Defined_Bond_Stereo_Count	0
47510	Hydrogen_Bond_Donor_Count	3
6956334	Undefined_Atom_Stereo_Count	0
7904	Isotope_Atom_Count	0
16413917	Undefined_Atom_Stereo_Count	0
66102	TPSA	52.6
15365	Tautomer_Count	1
18715492	Total_Formal_Charge	0
101543	Hydrogen_Bond_Donor_Count	5
162461	Rotatable_Bond_Count	3
20487874	TPSA	0
4617	Rotatable_Bond_Count	1
380611	XLogP3-AA	2
27295	Undefined_Bond_Stereo_Count	0
98341	Molecular_Weight	99.09
3037705	Mono_Isotopic_Weight	302.224580195
220401	Tautomer_Count	1
3068143	Undefined_Bond_Stereo_Count	0
53424628	Hydrogen_Bond_Donor_Count	1
9960287	Defined_Atom_Stereo_Count	0
5284619	Defined_Bond_Stereo_Count	2
97736001	Undefined_Atom_Stereo_Count	0
13003479	Total_Formal_Charge	0
3828	Undefined_Atom_Stereo_Count	0
95269	Undefined_Atom_Stereo_Count	2
36978	Total_Formal_Charge	0
554363	Defined_Atom_Stereo_Count	0
3877	Defined_Atom_Stereo_Count	0
129317	TPSA	77.8
25608	Non-hydrogen_Atom_Count	12
68668153	Undefined_Atom_Stereo_Count	0
129836041	Non-hydrogen_Atom_Count	4
10486501	Rotatable_Bond_Count	15
64624	Hydrogen_Bond_Acceptor_Count	2
43116	Mono_Isotopic_Weight	851.37752882
4345	Molecular_Weight	361.5
9877357	Structure_Complexity	89.8
93542	Hydrogen_Bond_Acceptor_Count	7
86062	Isotope_Atom_Count	0
61622	Undefined_Bond_Stereo_Count	0
22288525	Defined_Atom_Stereo_Count	0
123200332	Total_Formal_Charge	0
34313	Defined_Atom_Stereo_Count	0
6327514	TPSA	35.5
24233	Defined_Bond_Stereo_Count	0
13059052	Mono_Isotopic_Weight	380.177630004
56928061	Mono_Isotopic_Weight	527.23263824
71555	Defined_Atom_Stereo_Count	0
440918	Structure_Complexity	98.5
133090	Covalent_Unit_Count	1
32719	Structure_Complexity	275
79081	Molecular_Weight	99.17
63650	Isotope_Atom_Count	0
7626	Undefined_Atom_Stereo_Count	0
124514	Isotope_Atom_Count	0
350445	Defined_Bond_Stereo_Count	0
10439	Non-hydrogen_Atom_Count	7
18704550	Undefined_Bond_Stereo_Count	0
77286	XLogP3	2.7
54077	Total_Formal_Charge	0
138694	Undefined_Atom_Stereo_Count	0
461	Total_Formal_Charge	0
122	Total_Formal_Charge	0
118723025	Rotatable_Bond_Count	6
23696271	Mono_Isotopic_Weight	222.99152313
118014938	Exact_Mass	114.104465066
931	Molecular_Weight	128.17
11566378	Structure_Complexity	493
23652660	Rotatable_Bond_Count	5
77990	Structure_Complexity	402
17672	Structure_Complexity	206
5324168	Rotatable_Bond_Count	2
101883476	Rotatable_Bond_Count	9
71300410	Rotatable_Bond_Count	0
61972	Isotope_Atom_Count	0
141543352	Hydrogen_Bond_Acceptor_Count	1
136419	Structure_Complexity	409
23707296	Defined_Atom_Stereo_Count	0
24247	Structure_Complexity	114
5318599	TPSA	20.2
12494777	Rotatable_Bond_Count	3
92395	Isotope_Atom_Count	0
64107	Isotope_Atom_Count	0
221125	Exact_Mass	427.13795002
11420409	Mono_Isotopic_Weight	488.13498116
24840945	Mono_Isotopic_Weight	127.099714038
20331520	Hydrogen_Bond_Donor_Count	1
64048	Total_Formal_Charge	0
135738852	Mono_Isotopic_Weight	842.51400504
123664524	Defined_Atom_Stereo_Count	0
30410	XLogP3-AA	4.6
27464	Structure_Complexity	102
610682	Mono_Isotopic_Weight	210.115698455
68658	Undefined_Bond_Stereo_Count	0
57394389	Covalent_Unit_Count	1
56954881	Isotope_Atom_Count	0
2724032	Undefined_Atom_Stereo_Count	1
10419146	Rotatable_Bond_Count	1
98310	Undefined_Bond_Stereo_Count	0
5486182	Hydrogen_Bond_Acceptor_Count	12
11553983	Rotatable_Bond_Count	5
65702	Hydrogen_Bond_Donor_Count	0
131295062	Structure_Complexity	79.2
5489258	TPSA	0
7713	Total_Formal_Charge	0
8271	Undefined_Bond_Stereo_Count	0
259846	Total_Formal_Charge	0
23672302	Exact_Mass	342.12656005
13401998	Hydrogen_Bond_Donor_Count	1
10341191	Total_Formal_Charge	0
80426	Defined_Bond_Stereo_Count	0
66972027	Hydrogen_Bond_Acceptor_Count	2
22150757	Exact_Mass	153.868039
69317	Mono_Isotopic_Weight	246.05369279
9915813	Molecular_Weight	559.7
1098	Mono_Isotopic_Weight	864.30653146
54738	Undefined_Bond_Stereo_Count	0
5311120	Rotatable_Bond_Count	12
637668	Defined_Atom_Stereo_Count	0
674754	Non-hydrogen_Atom_Count	21
680036	Isotope_Atom_Count	0
53801928	TPSA	55.8
17778639	Non-hydrogen_Atom_Count	6
32767	XLogP3-AA	3.6
9898814	XLogP3-AA	0.1
53741494	Hydrogen_Bond_Acceptor_Count	1
71745	Total_Formal_Charge	0
53001	Hydrogen_Bond_Donor_Count	1
21333560	XLogP3-AA	0
155895288	XLogP3-AA	0
439782	Structure_Complexity	216
390798	Hydrogen_Bond_Donor_Count	0
71371762	Molecular_Weight	96.13
16132441	Total_Formal_Charge	0
152109	Hydrogen_Bond_Acceptor_Count	11
33498	Defined_Atom_Stereo_Count	2
1201445	Defined_Bond_Stereo_Count	0
5364711	Total_Formal_Charge	0
24848788	Structure_Complexity	156
15982150	Isotope_Atom_Count	0
21236	Non-hydrogen_Atom_Count	9
647893	Exact_Mass	427.15657746
10898649	Hydrogen_Bond_Acceptor_Count	2
30720	Undefined_Atom_Stereo_Count	0
1441454	Hydrogen_Bond_Donor_Count	1
54060	Defined_Atom_Stereo_Count	0
119332	Isotope_Atom_Count	0
25132952	Rotatable_Bond_Count	4
16274	Defined_Atom_Stereo_Count	0
91525	Undefined_Bond_Stereo_Count	0
159832	Non-hydrogen_Atom_Count	1
89274700	Total_Formal_Charge	0
14798	Non-hydrogen_Atom_Count	2
5281897	Structure_Complexity	737
12200749	Mono_Isotopic_Weight	96.068748264
13443454	Hydrogen_Bond_Acceptor_Count	1
5464313	Rotatable_Bond_Count	8
805985	Total_Formal_Charge	0
5795	Covalent_Unit_Count	2
40473404	XLogP3-AA	0
13651872	Rotatable_Bond_Count	1
72200166	Defined_Atom_Stereo_Count	3
18310	Structure_Complexity	392
12366087	Covalent_Unit_Count	1
28467	Defined_Bond_Stereo_Count	0
121587	Undefined_Bond_Stereo_Count	0
51170	Covalent_Unit_Count	1
4682	Exact_Mass	1401.73914735
5360991	Hydrogen_Bond_Donor_Count	6
16051951	Defined_Bond_Stereo_Count	0
24772860	Undefined_Bond_Stereo_Count	0
54587760	Hydrogen_Bond_Donor_Count	1
7088	Undefined_Bond_Stereo_Count	0
72323	Tautomer_Count	9
41095	Exact_Mass	249.172878976
87704872	Exact_Mass	108.068748264
72014	Hydrogen_Bond_Donor_Count	4
11159621	Defined_Bond_Stereo_Count	0
129785733	Undefined_Atom_Stereo_Count	1
15559064	Hydrogen_Bond_Donor_Count	0
11263485	Hydrogen_Bond_Donor_Count	0
23287	Defined_Atom_Stereo_Count	0
10649	Undefined_Bond_Stereo_Count	0
20528704	Mono_Isotopic_Weight	97.052763847
24288	TPSA	0
65531	Molecular_Weight	133.15
22764074	Defined_Bond_Stereo_Count	0
8369	Undefined_Bond_Stereo_Count	0
19589	Total_Formal_Charge	0
345752	Isotope_Atom_Count	0
72200409	Structure_Complexity	877
21613900	Hydrogen_Bond_Acceptor_Count	2
130224237	Covalent_Unit_Count	1
125462113	Defined_Atom_Stereo_Count	0
413539	Isotope_Atom_Count	0
8240	Total_Formal_Charge	0
401171	Non-hydrogen_Atom_Count	17
15590756	Rotatable_Bond_Count	0
56955286	Undefined_Bond_Stereo_Count	0
5702293	Defined_Atom_Stereo_Count	0
60196328	Total_Formal_Charge	0
534120	Rotatable_Bond_Count	0
46783800	Total_Formal_Charge	0
55287916	Rotatable_Bond_Count	2
134693946	Defined_Atom_Stereo_Count	11
73546	Exact_Mass	367.1914215
24848232	Defined_Bond_Stereo_Count	0
60496	Defined_Bond_Stereo_Count	0
28561	Covalent_Unit_Count	1
60196383	Hydrogen_Bond_Donor_Count	0
61120	Mono_Isotopic_Weight	263.15214353
10031428	Exact_Mass	595.21409234
11105340	Defined_Bond_Stereo_Count	0
893563	Mono_Isotopic_Weight	335.12699141
14939066	Isotope_Atom_Count	0
101048917	Isotope_Atom_Count	0
17959664	TPSA	53.8
4408229	Structure_Complexity	260
11569967	Total_Formal_Charge	0
54288465	Structure_Complexity	87.7
3067	Rotatable_Bond_Count	4
9801640	Covalent_Unit_Count	1
12493366	Total_Formal_Charge	0
21930924	Structure_Complexity	474
65249	Molecular_Weight	147.13
178438	Molecular_Weight	379.4
638071	Non-hydrogen_Atom_Count	6
135887820	Hydrogen_Bond_Acceptor_Count	15
120081	Non-hydrogen_Atom_Count	16
7989	TPSA	17.1
15008962	Isotope_Atom_Count	0
25203188	Molecular_Weight	688.9
4887	Rotatable_Bond_Count	9
2568387	Undefined_Bond_Stereo_Count	0
20748	Molecular_Weight	142.20
66679	Non-hydrogen_Atom_Count	12
13691769	Total_Formal_Charge	0
6993205	Non-hydrogen_Atom_Count	20
6077	Hydrogen_Bond_Donor_Count	0
54516038	Undefined_Atom_Stereo_Count	0
80376	Covalent_Unit_Count	1
551630	Exact_Mass	207.125928785
123337109	Undefined_Atom_Stereo_Count	2
20798615	Non-hydrogen_Atom_Count	7
10405	Structure_Complexity	76.7
54392998	Mono_Isotopic_Weight	117.078978594
22737404	Exact_Mass	305.1061677
123419	Defined_Bond_Stereo_Count	0
81927	Isotope_Atom_Count	0
6450800	Defined_Bond_Stereo_Count	1
96910	Molecular_Weight	281.33
448043	Undefined_Bond_Stereo_Count	0
57565697	Exact_Mass	116.083729621
27982	Molecular_Weight	144.49
45139106	Undefined_Atom_Stereo_Count	0
86295	Non-hydrogen_Atom_Count	23
11317883	Isotope_Atom_Count	0
1964	Hydrogen_Bond_Acceptor_Count	5
21932259	Mono_Isotopic_Weight	405.02516722
11747	Total_Formal_Charge	0
44123551	XLogP3-AA	6.2
5521	Non-hydrogen_Atom_Count	10
7263	Defined_Bond_Stereo_Count	0
78175	XLogP3-AA	1.2
6438129	Undefined_Atom_Stereo_Count	1
19437303	Total_Formal_Charge	0
10952	Hydrogen_Bond_Donor_Count	0
307976	Defined_Atom_Stereo_Count	0
315201	Isotope_Atom_Count	0
76979151	Mono_Isotopic_Weight	117.078978594
10823890	Hydrogen_Bond_Donor_Count	1
123969717	Defined_Bond_Stereo_Count	0
54227233	XLogP3-AA	1.4
29665	Non-hydrogen_Atom_Count	14
53693033	Molecular_Weight	99.17
1268111	Hydrogen_Bond_Acceptor_Count	4
5351564	Undefined_Atom_Stereo_Count	0
13555	XLogP3-AA	2.7
86017	Mono_Isotopic_Weight	230.15180918
7804	Non-hydrogen_Atom_Count	8
5249877	Defined_Atom_Stereo_Count	0
6537505	Tautomer_Count	1
9818	Covalent_Unit_Count	1
12560	Hydrogen_Bond_Acceptor_Count	14
3045400	Hydrogen_Bond_Acceptor_Count	5
24507	Exact_Mass	173.87914262
10986305	Undefined_Bond_Stereo_Count	0
57568	Exact_Mass	211.157228913
19747	Mono_Isotopic_Weight	391.1714350
77288	Mono_Isotopic_Weight	174.14422188
12443	Non-hydrogen_Atom_Count	15
20770532	Mono_Isotopic_Weight	111.068413911
146159565	Exact_Mass	515.25191714
4118151	TPSA	59.2
135398514	Undefined_Bond_Stereo_Count	0
62870	Molecular_Weight	384.5
13138	Exact_Mass	218.179952478
92158	Non-hydrogen_Atom_Count	31
774599	Defined_Atom_Stereo_Count	0
9948	Hydrogen_Bond_Donor_Count	0
445557	Hydrogen_Bond_Donor_Count	7
23991	Mono_Isotopic_Weight	131.90415508
16280	Isotope_Atom_Count	0
22000495	Exact_Mass	101.047678466
55886	Undefined_Atom_Stereo_Count	0
10669	Structure_Complexity	268
160557	Non-hydrogen_Atom_Count	12
140143509	Exact_Mass	97.016378338
60478	Exact_Mass	312.0665554
188987	Isotope_Atom_Count	0
4135	Isotope_Atom_Count	0
6559	Molecular_Weight	69.11
11338127	Undefined_Atom_Stereo_Count	0
6295	Tautomer_Count	1
102059952	Isotope_Atom_Count	0
67432369	Rotatable_Bond_Count	0
129225	Mono_Isotopic_Weight	179.131014166
6420	Undefined_Atom_Stereo_Count	0
21930923	TPSA	56.5
5497195	XLogP3-AA	7.5
9865375	Exact_Mass	393.23039385
79077218	Total_Formal_Charge	0
16219371	Undefined_Atom_Stereo_Count	5
82789	Undefined_Bond_Stereo_Count	0
57186573	Molecular_Weight	98.10
137274216	Molecular_Weight	534.6
11754394	Hydrogen_Bond_Donor_Count	2
16436	Hydrogen_Bond_Acceptor_Count	2
7284	Exact_Mass	86.073164938
54726193	Defined_Bond_Stereo_Count	0
58242	Rotatable_Bond_Count	5
163646941	Isotope_Atom_Count	0
147707445	Total_Formal_Charge	0
144459	Molecular_Weight	192.3
18908	Covalent_Unit_Count	1
22108	Hydrogen_Bond_Acceptor_Count	3
102848	Exact_Mass	99.068413911
3478696	Mono_Isotopic_Weight	113.03892530
65819	Rotatable_Bond_Count	2
15250	Hydrogen_Bond_Acceptor_Count	2
94617	Defined_Atom_Stereo_Count	0
14373	Rotatable_Bond_Count	5
13112619	Molecular_Weight	85.15
129320263	Defined_Bond_Stereo_Count	0
20502	Exact_Mass	252.078644241
66577116	Hydrogen_Bond_Donor_Count	12
6034	Undefined_Bond_Stereo_Count	0
23682241	Mono_Isotopic_Weight	547.2465749
5385498	Exact_Mass	428.31378912
1071	Undefined_Atom_Stereo_Count	0
12176	Hydrogen_Bond_Donor_Count	1
7663	Isotope_Atom_Count	0
6918030	Defined_Bond_Stereo_Count	1
23663958	Rotatable_Bond_Count	4
21051392	Hydrogen_Bond_Donor_Count	0
82718360	Molecular_Weight	114.14
3493	Molecular_Weight	449.6
94860	Defined_Atom_Stereo_Count	0
135455579	Exact_Mass	323.199762429
88489334	Non-hydrogen_Atom_Count	8
286827	Exact_Mass	101.084063974
54581774	Rotatable_Bond_Count	5
5273472	Hydrogen_Bond_Donor_Count	1
88734521	Defined_Atom_Stereo_Count	0
7924	TPSA	35.5
172288	Total_Formal_Charge	0
135459971	Defined_Atom_Stereo_Count	0
139064002	Covalent_Unit_Count	4
6921800	Rotatable_Bond_Count	6
6918496	TPSA	38.3
102891	Hydrogen_Bond_Acceptor_Count	7
44257207	Covalent_Unit_Count	1
12664944	Hydrogen_Bond_Acceptor_Count	1
86821	Undefined_Atom_Stereo_Count	9
60155097	Undefined_Atom_Stereo_Count	0
141363	Isotope_Atom_Count	0
16212746	Molecular_Weight	344.40
12564	TPSA	0
40479707	Total_Formal_Charge	1
9939892	XLogP3-AA	7.1
23277877	Defined_Bond_Stereo_Count	0
102059894	Undefined_Atom_Stereo_Count	0
3082052	Structure_Complexity	242
135421392	Undefined_Bond_Stereo_Count	0
63964	Undefined_Bond_Stereo_Count	0
7237	Total_Formal_Charge	0
537037	Undefined_Atom_Stereo_Count	10
106567	Total_Formal_Charge	0
25027363	Mono_Isotopic_Weight	504.33856457
88308	Covalent_Unit_Count	1
12338288	Molecular_Weight	112.17
21634	Undefined_Bond_Stereo_Count	0
135409453	Non-hydrogen_Atom_Count	22
25245167	Molecular_Weight	123.02
13794998	Defined_Atom_Stereo_Count	0
19782479	Covalent_Unit_Count	1
39528	Undefined_Atom_Stereo_Count	1
1766	Hydrogen_Bond_Donor_Count	2
119096	XLogP3	2
99850	Hydrogen_Bond_Donor_Count	1
646135	Undefined_Bond_Stereo_Count	0
16123056	TPSA	101
3973230	Exact_Mass	102.055503498
94915	Defined_Atom_Stereo_Count	0
56218	Molecular_Weight	184.28
6378649	Undefined_Bond_Stereo_Count	0
44629594	TPSA	98.3
246476	TPSA	150
18726540	Undefined_Atom_Stereo_Count	2
16212959	Molecular_Weight	182.14
56928187	Non-hydrogen_Atom_Count	17
4543	TPSA	12
10075	Isotope_Atom_Count	0
446167	Defined_Atom_Stereo_Count	0
67065	TPSA	95
21653	Tautomer_Count	10
6438712	TPSA	44.8
161588	Rotatable_Bond_Count	3
107977	Covalent_Unit_Count	1
2687	Undefined_Atom_Stereo_Count	1
68822	Undefined_Atom_Stereo_Count	0
22672893	Exact_Mass	109.063997236
166089069	Hydrogen_Bond_Donor_Count	0
2532	Exact_Mass	362.22055744
5702698	Molecular_Weight	391.6
12271346	Total_Formal_Charge	0
83303	Covalent_Unit_Count	1
289460	Hydrogen_Bond_Acceptor_Count	4
23009	TPSA	76.1
74978	Covalent_Unit_Count	1
146159711	Undefined_Bond_Stereo_Count	5
16726630	TPSA	86
56	Undefined_Bond_Stereo_Count	8
92416	Isotope_Atom_Count	0
137231010	Hydrogen_Bond_Acceptor_Count	10
2042	Defined_Atom_Stereo_Count	0
93335	Undefined_Atom_Stereo_Count	1
2810	Non-hydrogen_Atom_Count	14
71583157	Undefined_Atom_Stereo_Count	0
55284178	Exact_Mass	114.042927438
53325875	Isotope_Atom_Count	0
91071011	Non-hydrogen_Atom_Count	29
5282745	Molecular_Weight	254.41
16136912	Structure_Complexity	3700
15983549	Mono_Isotopic_Weight	454.22162007
35161	Defined_Bond_Stereo_Count	0
24180719	Molecular_Weight	413.8
71356554	Defined_Bond_Stereo_Count	0
16212081	TPSA	59.4
5461025	Undefined_Atom_Stereo_Count	0
52988031	Defined_Atom_Stereo_Count	0
17753992	Undefined_Atom_Stereo_Count	0
135472946	Undefined_Bond_Stereo_Count	0
14865900	Total_Formal_Charge	0
299643	Tautomer_Count	4
3168	Undefined_Atom_Stereo_Count	0
12960	TPSA	151
66969	Non-hydrogen_Atom_Count	8
71986	Isotope_Atom_Count	0
6171	TPSA	70.4
7530	Mono_Isotopic_Weight	122.073164938
139026056	Exact_Mass	342.11621151
80365	Defined_Bond_Stereo_Count	0
89374436	Undefined_Atom_Stereo_Count	0
81416328	Undefined_Atom_Stereo_Count	2
64966	Hydrogen_Bond_Acceptor_Count	4
57401683	Covalent_Unit_Count	1
168884	Exact_Mass	471.16343
105421	Structure_Complexity	207
164073	Molecular_Weight	1315.6
1444	Total_Formal_Charge	0
58206	XLogP3-AA	0.6
93079	Isotope_Atom_Count	0
8510	Non-hydrogen_Atom_Count	20
24087	Undefined_Atom_Stereo_Count	0
637572	Tautomer_Count	1
3366	Covalent_Unit_Count	1
8747	Mono_Isotopic_Weight	322.999598
21881641	Non-hydrogen_Atom_Count	58
49784084	Undefined_Atom_Stereo_Count	0
23238195	Total_Formal_Charge	1
14717865	Exact_Mass	110.084398327
62530	Tautomer_Count	1
132998	Rotatable_Bond_Count	6
441558	Defined_Atom_Stereo_Count	2
99858	Exact_Mass	264.11100700
2801745	Hydrogen_Bond_Acceptor_Count	2
123195	Mono_Isotopic_Weight	30.021798072
13620760	Molecular_Weight	126.08
338733	Defined_Bond_Stereo_Count	0
102069	Exact_Mass	422.272199093
44513473	Undefined_Bond_Stereo_Count	0
72521	XLogP3-AA	3
41264	Isotope_Atom_Count	0
53407792	Non-hydrogen_Atom_Count	8
13908	Rotatable_Bond_Count	0
59874134	TPSA	20.2
135871122	Undefined_Atom_Stereo_Count	2
59539	Covalent_Unit_Count	1
6137	Isotope_Atom_Count	0
76957235	Structure_Complexity	593
73415816	Rotatable_Bond_Count	6
971023	Hydrogen_Bond_Acceptor_Count	2
156588860	Rotatable_Bond_Count	9
137704528	TPSA	195
81161	Hydrogen_Bond_Donor_Count	0
191	Non-hydrogen_Atom_Count	19
134694829	Total_Formal_Charge	0
48671	Isotope_Atom_Count	0
107646	Covalent_Unit_Count	1
21679645	Defined_Bond_Stereo_Count	0
23545756	Exact_Mass	98.084398327
49866524	Structure_Complexity	550
63036	Defined_Atom_Stereo_Count	7
6435207	Isotope_Atom_Count	0
22829	Structure_Complexity	593
60196436	Molecular_Weight	412.8
12228201	XLogP3-AA	0.2
12576852	Structure_Complexity	74.4
12560816	Rotatable_Bond_Count	0
54369	Non-hydrogen_Atom_Count	24
198707	Tautomer_Count	2
71584166	Rotatable_Bond_Count	4
11867	Mono_Isotopic_Weight	173.99867984
13184	Covalent_Unit_Count	1
156422	Defined_Atom_Stereo_Count	0
13736253	Defined_Atom_Stereo_Count	0
9339	Rotatable_Bond_Count	1
637552	Hydrogen_Bond_Acceptor_Count	4
145913182	Undefined_Bond_Stereo_Count	0
2145	XLogP3	1.2
115366	Hydrogen_Bond_Donor_Count	2
671175	Hydrogen_Bond_Acceptor_Count	4
164628	Mono_Isotopic_Weight	402.02293333
91231076	Isotope_Atom_Count	0
45238	Rotatable_Bond_Count	6
6917674	Structure_Complexity	955
5374274	TPSA	81.8
135515430	Total_Formal_Charge	0
642801	Isotope_Atom_Count	0
9958995	Defined_Bond_Stereo_Count	0
17888	Non-hydrogen_Atom_Count	12
57429034	Structure_Complexity	97.2
12607584	Covalent_Unit_Count	1
3082131	Defined_Bond_Stereo_Count	0
2783279	TPSA	12.9
146674701	Isotope_Atom_Count	0
57716	Non-hydrogen_Atom_Count	20
26859	Exact_Mass	275.16337692
6440183	Isotope_Atom_Count	0
11625340	Rotatable_Bond_Count	4
12229396	Defined_Atom_Stereo_Count	0
446094	TPSA	42.5
12377442	Defined_Bond_Stereo_Count	0
19188	Mono_Isotopic_Weight	152.047344113
138137	Defined_Bond_Stereo_Count	0
1810216	Hydrogen_Bond_Acceptor_Count	3
64781	Covalent_Unit_Count	2
22227744	Molecular_Weight	161.23
15983549	Hydrogen_Bond_Acceptor_Count	8
147020	Hydrogen_Bond_Acceptor_Count	2
63853	Hydrogen_Bond_Donor_Count	0
84313	Hydrogen_Bond_Donor_Count	2
5359277	Covalent_Unit_Count	1
21850	Hydrogen_Bond_Acceptor_Count	5
65326	Undefined_Bond_Stereo_Count	0
9750	Defined_Bond_Stereo_Count	0
10351092	Non-hydrogen_Atom_Count	74
398675	XLogP3-AA	5.1
9926639	Mono_Isotopic_Weight	308.1291556
262282	XLogP3	3.5
78000	Defined_Atom_Stereo_Count	3
3081358	Total_Formal_Charge	0
544563	Molecular_Weight	112.17
139585852	Rotatable_Bond_Count	0
543047	Hydrogen_Bond_Donor_Count	1
64692	Undefined_Bond_Stereo_Count	0
687950	Exact_Mass	277.15253745
5352833	Covalent_Unit_Count	1
91753	Isotope_Atom_Count	0
21584661	Structure_Complexity	37.4
2037	Defined_Atom_Stereo_Count	0
58247682	TPSA	12
153791162	TPSA	57.2
20348162	Hydrogen_Bond_Acceptor_Count	1
62616	Undefined_Atom_Stereo_Count	0
49865973	Undefined_Atom_Stereo_Count	0
129852452	Covalent_Unit_Count	1
6917939	Undefined_Atom_Stereo_Count	0
36084	Undefined_Atom_Stereo_Count	0
168625	Isotope_Atom_Count	0
73887162	Isotope_Atom_Count	0
5206	Undefined_Atom_Stereo_Count	0
31315	TPSA	69.6
6429604	Covalent_Unit_Count	1
5282706	Defined_Atom_Stereo_Count	0
31364	XLogP3-AA	2.3
83803459	Non-hydrogen_Atom_Count	8
19649	Total_Formal_Charge	0
77117	Hydrogen_Bond_Acceptor_Count	3
84	Covalent_Unit_Count	1
13083754	TPSA	20.2
17956339	Rotatable_Bond_Count	4
78452	Structure_Complexity	141
538333	Defined_Bond_Stereo_Count	0
266934	Non-hydrogen_Atom_Count	18
7756	Covalent_Unit_Count	1
55463	Structure_Complexity	585
95720	Hydrogen_Bond_Acceptor_Count	3
5284613	Rotatable_Bond_Count	3
19979685	Non-hydrogen_Atom_Count	8
5281915	TPSA	52.6
79422	Molecular_Weight	253.34
10960	Undefined_Atom_Stereo_Count	0
59750537	Molecular_Weight	83.13
70695343	XLogP3-AA	3.9
3801	Undefined_Bond_Stereo_Count	1
62731702	Exact_Mass	112.063662883
3866	Defined_Bond_Stereo_Count	0
25142175	Covalent_Unit_Count	1
57784	Tautomer_Count	3
447884	Mono_Isotopic_Weight	514.29305367
5311051	Hydrogen_Bond_Acceptor_Count	5
5003096	Exact_Mass	157.01974964
19595920	Hydrogen_Bond_Donor_Count	0
12176	Covalent_Unit_Count	1
11828754	TPSA	324
371256	Non-hydrogen_Atom_Count	26
10331	Isotope_Atom_Count	0
30108	Exact_Mass	233.10519334
12381281	Non-hydrogen_Atom_Count	7
94378	Tautomer_Count	9
3641725	Exact_Mass	330.0342099
7042	Rotatable_Bond_Count	0
82259	Undefined_Bond_Stereo_Count	0
122389028	Undefined_Bond_Stereo_Count	0
20025584	Structure_Complexity	53.6
89760664	Rotatable_Bond_Count	1
20333386	Exact_Mass	141.115364102
7057919	Total_Formal_Charge	0
9862272	Undefined_Bond_Stereo_Count	0
1718	Non-hydrogen_Atom_Count	23
45257	Undefined_Atom_Stereo_Count	1
5404	Isotope_Atom_Count	0
8485	Undefined_Atom_Stereo_Count	0
156758105	Hydrogen_Bond_Donor_Count	3
53897	Isotope_Atom_Count	0
129629392	Isotope_Atom_Count	1
104933	Isotope_Atom_Count	0
85674390	Hydrogen_Bond_Acceptor_Count	0
452498	Tautomer_Count	9
38409	Rotatable_Bond_Count	5
98044588	Hydrogen_Bond_Acceptor_Count	2
118701016	Rotatable_Bond_Count	26
28284151	Rotatable_Bond_Count	2
4849	Isotope_Atom_Count	0
3345	Undefined_Bond_Stereo_Count	0
1201549	Defined_Bond_Stereo_Count	0
1519	Molecular_Weight	574.7
8540	Hydrogen_Bond_Donor_Count	1
57004451	Defined_Bond_Stereo_Count	0
123976	Molecular_Weight	402.7
7588	Non-hydrogen_Atom_Count	22
3032472	Isotope_Atom_Count	0
5282948	Undefined_Atom_Stereo_Count	1
7130	Rotatable_Bond_Count	2
165363475	Defined_Atom_Stereo_Count	8
101755686	Molecular_Weight	978.7
71107	Defined_Bond_Stereo_Count	0
21894763	Defined_Atom_Stereo_Count	0
67108207	Non-hydrogen_Atom_Count	21
20431	Undefined_Atom_Stereo_Count	0
21498	Tautomer_Count	10
57396593	Undefined_Atom_Stereo_Count	0
13285535	Total_Formal_Charge	0
338733	TPSA	20.2
22542	Hydrogen_Bond_Acceptor_Count	7
48346	Structure_Complexity	144
10197842	Isotope_Atom_Count	0
23668195	Non-hydrogen_Atom_Count	5
12769	Non-hydrogen_Atom_Count	10
71455487	Mono_Isotopic_Weight	425.1506193
6077765	TPSA	91.3
14416612	Covalent_Unit_Count	1
12415	Hydrogen_Bond_Donor_Count	0
69341863	Undefined_Bond_Stereo_Count	0
834519	Non-hydrogen_Atom_Count	19
63198	Non-hydrogen_Atom_Count	19
9855448	Rotatable_Bond_Count	0
46783786	Mono_Isotopic_Weight	458.0638210
14753014	Hydrogen_Bond_Acceptor_Count	6
18938	Total_Formal_Charge	0
21930923	Total_Formal_Charge	0
8821	Hydrogen_Bond_Donor_Count	0
13286	Undefined_Bond_Stereo_Count	0
56673689	Covalent_Unit_Count	1
31353	Rotatable_Bond_Count	7
643941	Undefined_Atom_Stereo_Count	0
444097	Tautomer_Count	8
11858154	XLogP3-AA	3.4
135876149	Defined_Atom_Stereo_Count	9
54392263	Exact_Mass	114.104465066
71300725	Defined_Atom_Stereo_Count	0
6718	Tautomer_Count	1
103563227	Hydrogen_Bond_Donor_Count	1
16211417	Hydrogen_Bond_Donor_Count	0
10627323	TPSA	105
14190	Hydrogen_Bond_Acceptor_Count	8
44719490	Rotatable_Bond_Count	6
7543	Undefined_Bond_Stereo_Count	0
6028462	Rotatable_Bond_Count	1
11980076	Non-hydrogen_Atom_Count	89
71727581	Isotope_Atom_Count	0
20648899	TPSA	48.9
69270	Structure_Complexity	97.8
53355697	Hydrogen_Bond_Acceptor_Count	4
375860	TPSA	47.6
4206	Exact_Mass	368.25627424
16404350	Undefined_Atom_Stereo_Count	9
558	Hydrogen_Bond_Acceptor_Count	4
123812543	Mono_Isotopic_Weight	112.052429494
95883	Exact_Mass	161.06880783
5362420	Hydrogen_Bond_Acceptor_Count	10
9578570	Rotatable_Bond_Count	8
5311047	Total_Formal_Charge	0
11602	Mono_Isotopic_Weight	82.078250319
66931399	Defined_Bond_Stereo_Count	0
6732	Non-hydrogen_Atom_Count	17
160866	Hydrogen_Bond_Donor_Count	0
91472	Defined_Bond_Stereo_Count	0
126981343	Undefined_Bond_Stereo_Count	0
5484450	Defined_Bond_Stereo_Count	0
162955681	Non-hydrogen_Atom_Count	23
280526	Covalent_Unit_Count	2
76122	Covalent_Unit_Count	1
221071	Non-hydrogen_Atom_Count	18
7761	Total_Formal_Charge	0
49857317	Exact_Mass	394.15535203
135499741	Hydrogen_Bond_Donor_Count	2
30999	Undefined_Bond_Stereo_Count	0
21906940	Mono_Isotopic_Weight	290.20459364
24776154	Undefined_Atom_Stereo_Count	1
10618	Isotope_Atom_Count	0
5362620	Isotope_Atom_Count	0
16051918	Tautomer_Count	2
12100	Non-hydrogen_Atom_Count	9
3083702	Total_Formal_Charge	0
6871212	Defined_Atom_Stereo_Count	0
84098	Hydrogen_Bond_Acceptor_Count	8
10560336	Structure_Complexity	152
64992731	TPSA	52.9
409347	Defined_Bond_Stereo_Count	0
588963	Covalent_Unit_Count	1
24411	Hydrogen_Bond_Donor_Count	0
9942132	Isotope_Atom_Count	0
3232583	Hydrogen_Bond_Acceptor_Count	6
3015	Molecular_Weight	374.9
2756	Undefined_Atom_Stereo_Count	0
638186	Total_Formal_Charge	0
159671	Exact_Mass	236.061382
48	Covalent_Unit_Count	1
7048634	Rotatable_Bond_Count	6
448875	Defined_Bond_Stereo_Count	0
16212880	Defined_Bond_Stereo_Count	0
5280896	Isotope_Atom_Count	0
10284	Defined_Atom_Stereo_Count	0
71988	Undefined_Atom_Stereo_Count	0
15133384	TPSA	136
498158	Hydrogen_Bond_Donor_Count	4
71416538	Isotope_Atom_Count	0
179334	Tautomer_Count	2
3015569	Defined_Bond_Stereo_Count	0
5356	Undefined_Atom_Stereo_Count	0
20087060	Molecular_Weight	115.13
67698	Structure_Complexity	137
17195	Undefined_Atom_Stereo_Count	0
22841634	Rotatable_Bond_Count	2
9837352	Undefined_Bond_Stereo_Count	0
11683556	Defined_Atom_Stereo_Count	0
11723708	Covalent_Unit_Count	1
12514	Non-hydrogen_Atom_Count	7
15561851	Isotope_Atom_Count	0
68119	XLogP3	1.2
135564985	Molecular_Weight	364.4
23725051	Undefined_Atom_Stereo_Count	1
78432	Molecular_Weight	106.12
12083	Molecular_Weight	181.15
6603149	Defined_Bond_Stereo_Count	0
3016754	Rotatable_Bond_Count	7
15677	Covalent_Unit_Count	1
5388949	Undefined_Atom_Stereo_Count	0
67030919	Undefined_Bond_Stereo_Count	1
12452021	XLogP3-AA	1.2
95125	Rotatable_Bond_Count	4
7201	Undefined_Atom_Stereo_Count	0
165337	Defined_Atom_Stereo_Count	0
136586	Defined_Bond_Stereo_Count	0
118264	Exact_Mass	266.0822054
133662562	Mono_Isotopic_Weight	181.06674293
14597941	TPSA	18.5
74190	Non-hydrogen_Atom_Count	7
4460493	Hydrogen_Bond_Acceptor_Count	3
72148	Exact_Mass	333.15512091
53714679	Structure_Complexity	161
57784	Hydrogen_Bond_Acceptor_Count	6
47445	Hydrogen_Bond_Donor_Count	2
89253368	Undefined_Atom_Stereo_Count	0
240119	Total_Formal_Charge	0
10801933	Defined_Bond_Stereo_Count	0
2736548	Molecular_Weight	193.00
248934	Rotatable_Bond_Count	0
21977262	Molecular_Weight	212.00
27713	Exact_Mass	271.0975211
21881641	XLogP3-AA	4.2
13738257	Structure_Complexity	141
117859259	Exact_Mass	108.032362755
134688474	Total_Formal_Charge	0
146159220	XLogP3-AA	3.4
11624518	Hydrogen_Bond_Acceptor_Count	3
13184286	Defined_Bond_Stereo_Count	0
5366669	Isotope_Atom_Count	0
44392229	Hydrogen_Bond_Donor_Count	1
150175	Isotope_Atom_Count	0
5313082	Exact_Mass	678.50738028
63449	Hydrogen_Bond_Donor_Count	2
101835694	Total_Formal_Charge	0
109291	Defined_Atom_Stereo_Count	0
656321	TPSA	97.9
118115	Rotatable_Bond_Count	0
56835143	Hydrogen_Bond_Donor_Count	3
53667465	Structure_Complexity	89.9
117439	Exact_Mass	281.12632271
138370	XLogP3-AA	3.1
12498	Defined_Bond_Stereo_Count	0
703965	Total_Formal_Charge	0
351795	Defined_Bond_Stereo_Count	0
449575	Defined_Atom_Stereo_Count	5
66036969	Undefined_Bond_Stereo_Count	0
3036261	Non-hydrogen_Atom_Count	14
102233552	Undefined_Atom_Stereo_Count	0
54587596	Total_Formal_Charge	0
5977	Non-hydrogen_Atom_Count	8
535805	Undefined_Bond_Stereo_Count	0
120393	Total_Formal_Charge	0
193953	TPSA	158
11042360	Defined_Atom_Stereo_Count	0
9798547	TPSA	54.5
67128140	Hydrogen_Bond_Acceptor_Count	4
23713799	Total_Formal_Charge	0
72518	Undefined_Bond_Stereo_Count	0
11589318	Hydrogen_Bond_Donor_Count	1
9824562	Isotope_Atom_Count	0
21989049	Isotope_Atom_Count	0
12242916	Hydrogen_Bond_Donor_Count	0
2284259	Defined_Bond_Stereo_Count	0
11611	Rotatable_Bond_Count	3
10382	Undefined_Bond_Stereo_Count	0
11289	Structure_Complexity	442
19385693	Defined_Atom_Stereo_Count	0
8779	Isotope_Atom_Count	0
347	Defined_Bond_Stereo_Count	0
5353584	Molecular_Weight	398.7
5386	Covalent_Unit_Count	1
11582651	Defined_Atom_Stereo_Count	1
67191	TPSA	86.7
8413	TPSA	52
15561472	Defined_Bond_Stereo_Count	0
15367	Mono_Isotopic_Weight	102.05032149
201828	Undefined_Bond_Stereo_Count	0
23724556	Isotope_Atom_Count	0
163628725	Hydrogen_Bond_Donor_Count	3
6441079	Undefined_Atom_Stereo_Count	9
5102582	Total_Formal_Charge	1
204086	TPSA	46.9
2752648	Hydrogen_Bond_Acceptor_Count	1
74760	Total_Formal_Charge	0
19067730	Covalent_Unit_Count	1
137264	Molecular_Weight	231.21
68023710	Non-hydrogen_Atom_Count	23
163591174	Non-hydrogen_Atom_Count	7
137018	Tautomer_Count	1
6713	Tautomer_Count	1
12480947	XLogP3-AA	1
3603687	XLogP3-AA	1.1
12200	Structure_Complexity	141
70922	Defined_Atom_Stereo_Count	0
72163100	Covalent_Unit_Count	1
82343	Rotatable_Bond_Count	6
133268464	Defined_Atom_Stereo_Count	17
91501293	Isotope_Atom_Count	0
15661697	Covalent_Unit_Count	1
78324	Rotatable_Bond_Count	4
17174	Defined_Bond_Stereo_Count	0
546	Defined_Bond_Stereo_Count	0
85999939	Hydrogen_Bond_Acceptor_Count	1
3297	Covalent_Unit_Count	1
549336	Defined_Atom_Stereo_Count	0
67371	Hydrogen_Bond_Donor_Count	2
10319630	Undefined_Bond_Stereo_Count	0
57403932	Hydrogen_Bond_Donor_Count	0
54126052	Structure_Complexity	65.1
18728219	TPSA	38.4
1211493	Hydrogen_Bond_Acceptor_Count	3
129491	Covalent_Unit_Count	1
129671450	Mono_Isotopic_Weight	71.037113783
70381	Undefined_Atom_Stereo_Count	0
61278	Covalent_Unit_Count	1
4068533	Covalent_Unit_Count	2
154734173	Molecular_Weight	113.07
529432	Undefined_Bond_Stereo_Count	0
59966627	Undefined_Bond_Stereo_Count	0
25171666	Undefined_Atom_Stereo_Count	0
15090448	Isotope_Atom_Count	0
8377	Undefined_Bond_Stereo_Count	0
1810203	Tautomer_Count	4
4942	TPSA	38.8
40602794	Molecular_Weight	170.08
441328	Non-hydrogen_Atom_Count	18
134436906	Structure_Complexity	885
41772	Undefined_Bond_Stereo_Count	0
16129682	Isotope_Atom_Count	0
10185917	Non-hydrogen_Atom_Count	35
949	XLogP3	2.3
9143	Mono_Isotopic_Weight	202.078250319
97524	XLogP3-AA	1.4
91599597	Exact_Mass	110.109550447
11421	Exact_Mass	108.021129366
6269	Hydrogen_Bond_Donor_Count	1
53359023	Non-hydrogen_Atom_Count	27
32283	Undefined_Atom_Stereo_Count	0
11527635	Non-hydrogen_Atom_Count	47
11446306	Covalent_Unit_Count	1
529287	Mono_Isotopic_Weight	110.109550447
493592	Hydrogen_Bond_Acceptor_Count	11
53346602	Rotatable_Bond_Count	2
134860471	Mono_Isotopic_Weight	180.06338810
6918130	Hydrogen_Bond_Donor_Count	4
605461	Hydrogen_Bond_Acceptor_Count	2
378	Hydrogen_Bond_Acceptor_Count	6
104930	Undefined_Atom_Stereo_Count	0
91994885	Total_Formal_Charge	0
67361	Hydrogen_Bond_Acceptor_Count	3
16662	Structure_Complexity	55.1
11271730	Total_Formal_Charge	0
135456161	Total_Formal_Charge	0
5201	XLogP3-AA	0.5
25159060	Exact_Mass	378.09397478
50293	Mono_Isotopic_Weight	228.901960
58173	Hydrogen_Bond_Acceptor_Count	3
10017019	Isotope_Atom_Count	0
23725056	Undefined_Atom_Stereo_Count	0
2782524	Structure_Complexity	97.9
72200721	Undefined_Bond_Stereo_Count	0
80369	Exact_Mass	637.03139343
133121364	Rotatable_Bond_Count	1
7948	Structure_Complexity	80.6
87356557	Undefined_Atom_Stereo_Count	1
56677275	Isotope_Atom_Count	0
57358267	Defined_Bond_Stereo_Count	0
65182	Total_Formal_Charge	0
10205	Rotatable_Bond_Count	0
6918493	Hydrogen_Bond_Acceptor_Count	6
4583497	Hydrogen_Bond_Acceptor_Count	2
5775	Total_Formal_Charge	0
23468439	Hydrogen_Bond_Donor_Count	0
12636255	TPSA	32.8
62204	XLogP3	2.4
54350	Non-hydrogen_Atom_Count	27
53317121	Covalent_Unit_Count	1
20798667	Exact_Mass	100.088815002
5460797	Defined_Bond_Stereo_Count	0
12987	TPSA	0
6918188	Rotatable_Bond_Count	9
14435658	Hydrogen_Bond_Donor_Count	1
1009	Molecular_Weight	720.28
6992032	Non-hydrogen_Atom_Count	21
99730	Non-hydrogen_Atom_Count	11
24873157	Defined_Atom_Stereo_Count	0
22522	Covalent_Unit_Count	1
12818200	Exact_Mass	366.16132849
90532	Undefined_Bond_Stereo_Count	0
3016416	Exact_Mass	335.15551483
9690122	Exact_Mass	292.0146493
3388710	Defined_Bond_Stereo_Count	0
12374	XLogP3-AA	0.3
314282	Covalent_Unit_Count	1
74370	Exact_Mass	774.59509635
541661	Mono_Isotopic_Weight	129.98369848
91506	Structure_Complexity	1610
16239	Molecular_Weight	70.09
643587	Covalent_Unit_Count	1
11397521	Isotope_Atom_Count	0
19014	Non-hydrogen_Atom_Count	14
6854	Exact_Mass	167.073499291
70681602	Isotope_Atom_Count	0
25022354	Rotatable_Bond_Count	7
5359327	Molecular_Weight	87.62
129316724	Exact_Mass	327.202608250
23667628	Isotope_Atom_Count	0
67156338	Undefined_Bond_Stereo_Count	0
14597941	Covalent_Unit_Count	1
46174097	XLogP3	0.6
12730479	Exact_Mass	106.053098200
174076	Molecular_Weight	111.17
16130957	TPSA	452
8485	XLogP3	7
12310	Defined_Bond_Stereo_Count	0
67236438	Molecular_Weight	260.22
146364	Undefined_Atom_Stereo_Count	1
9916	Rotatable_Bond_Count	1
42993	Total_Formal_Charge	0
24971342	Structure_Complexity	427
12229743	Structure_Complexity	52.8
1712	Isotope_Atom_Count	0
10989	Total_Formal_Charge	0
39764	Hydrogen_Bond_Donor_Count	0
12634655	Non-hydrogen_Atom_Count	7
72022	Defined_Bond_Stereo_Count	0
76970981	Hydrogen_Bond_Donor_Count	1
19601131	Rotatable_Bond_Count	2
162918373	TPSA	279
49862460	TPSA	57.8
90035	Covalent_Unit_Count	1
52941568	Defined_Atom_Stereo_Count	0
10975412	Isotope_Atom_Count	0
24813	Defined_Atom_Stereo_Count	0
130956	Exact_Mass	322.01197472
404289	XLogP3-AA	2.7
800463	Undefined_Atom_Stereo_Count	0
66070288	Structure_Complexity	100
3243927	XLogP3-AA	2.7
25246316	XLogP3-AA	7.5
273577	Defined_Bond_Stereo_Count	0
12332146	Structure_Complexity	70.8
10058531	Rotatable_Bond_Count	4
37140	Defined_Atom_Stereo_Count	0
14911944	Molecular_Weight	152.19
105053	Undefined_Atom_Stereo_Count	0
141103237	Defined_Atom_Stereo_Count	0
181511	Hydrogen_Bond_Donor_Count	2
519	Structure_Complexity	307
15938971	Tautomer_Count	6
12232989	Undefined_Bond_Stereo_Count	0
751505	Hydrogen_Bond_Acceptor_Count	4
43833377	Non-hydrogen_Atom_Count	37
2817	Covalent_Unit_Count	1
132941102	Undefined_Bond_Stereo_Count	0
3281	Exact_Mass	144.0341926
5440	Isotope_Atom_Count	0
20295235	TPSA	21.8
2758873	TPSA	8.8
8082	Exact_Mass	85.089149355
2779183	Molecular_Weight	248.0
135392570	Molecular_Weight	81.12
9548659	Mono_Isotopic_Weight	316.16879665
162636	Structure_Complexity	153
15563286	Exact_Mass	250.121846464
17045	Hydrogen_Bond_Donor_Count	1
14355311	Mono_Isotopic_Weight	121.01974964
53943526	Rotatable_Bond_Count	0
4831	Hydrogen_Bond_Donor_Count	2
546	Defined_Atom_Stereo_Count	0
80511	Structure_Complexity	21.5
67486	Isotope_Atom_Count	0
10888051	Isotope_Atom_Count	0
59325013	Structure_Complexity	88.1
77996	Mono_Isotopic_Weight	416.32904526
19379	Molecular_Weight	294.17
2005	Total_Formal_Charge	0
9548831	Structure_Complexity	168
508	Defined_Atom_Stereo_Count	0
70151	Non-hydrogen_Atom_Count	13
101116130	Rotatable_Bond_Count	1
77082	Defined_Bond_Stereo_Count	0
8945	Molecular_Weight	204.13
524955	Non-hydrogen_Atom_Count	8
123975350	Structure_Complexity	80.5
80486638	Isotope_Atom_Count	0
21093784	Total_Formal_Charge	0
11245700	Molecular_Weight	371.5
7900	Rotatable_Bond_Count	2
81569	Rotatable_Bond_Count	3
629965	Total_Formal_Charge	0
3639	Rotatable_Bond_Count	1
17038	Exact_Mass	348.907860
56949327	Undefined_Bond_Stereo_Count	0
20750	Undefined_Bond_Stereo_Count	1
24873277	Mono_Isotopic_Weight	451.16199476
5430	Rotatable_Bond_Count	1
14274724	Undefined_Bond_Stereo_Count	0
823960	Covalent_Unit_Count	1
46883936	Undefined_Bond_Stereo_Count	0
135762717	Undefined_Bond_Stereo_Count	0
3664	Hydrogen_Bond_Acceptor_Count	10
25008771	Covalent_Unit_Count	1
5311184	Rotatable_Bond_Count	9
71401	Covalent_Unit_Count	2
6450173	Undefined_Atom_Stereo_Count	0
150728341	XLogP3-AA	1.3
10390369	Non-hydrogen_Atom_Count	35
11316094	XLogP3-AA	2.4
12374	Undefined_Atom_Stereo_Count	0
520362	Structure_Complexity	101
21520878	Structure_Complexity	139
71309905	Isotope_Atom_Count	1
8710	Covalent_Unit_Count	1
23673604	Structure_Complexity	328
77749	Isotope_Atom_Count	0
5351811	Non-hydrogen_Atom_Count	27
53806232	Non-hydrogen_Atom_Count	7
65211	Hydrogen_Bond_Donor_Count	2
2764876	TPSA	63.4
131634907	Isotope_Atom_Count	0
12495	XLogP3	2.7
222778	Tautomer_Count	1
17510	Undefined_Bond_Stereo_Count	0
123	Hydrogen_Bond_Acceptor_Count	2
2596	Total_Formal_Charge	0
869	Hydrogen_Bond_Acceptor_Count	24
22386270	Isotope_Atom_Count	0
46884524	XLogP3-AA	5.6
4712	Defined_Atom_Stereo_Count	0
87452348	Total_Formal_Charge	0
88771	Hydrogen_Bond_Donor_Count	0
121489349	Molecular_Weight	2013.3
79015	Exact_Mass	48.021129366
129316724	XLogP3	2.9
165217	Mono_Isotopic_Weight	414.349780706
6438149	Non-hydrogen_Atom_Count	26
158729741	Mono_Isotopic_Weight	125.04523368
780	Rotatable_Bond_Count	2
534922	Covalent_Unit_Count	1
53672	Non-hydrogen_Atom_Count	30
3310	TPSA	161
12155512	Rotatable_Bond_Count	2
143506727	Total_Formal_Charge	0
738	Non-hydrogen_Atom_Count	10
57751150	Hydrogen_Bond_Acceptor_Count	3
127	XLogP3	0.8
44414728	Undefined_Atom_Stereo_Count	0
6922965	Undefined_Atom_Stereo_Count	0
47510	Mono_Isotopic_Weight	220.13241115
33137	Non-hydrogen_Atom_Count	17
25023855	Isotope_Atom_Count	0
484990	Covalent_Unit_Count	1
2826713	Non-hydrogen_Atom_Count	60
722587	XLogP3-AA	3
6358	Hydrogen_Bond_Donor_Count	0
14049689	Tautomer_Count	1
372	Structure_Complexity	348
10207842	Isotope_Atom_Count	0
27435	TPSA	47.9
439178	Defined_Bond_Stereo_Count	0
77757	XLogP3-AA	15.6
13659	Hydrogen_Bond_Donor_Count	0
23675341	Hydrogen_Bond_Donor_Count	2
11658655	Undefined_Bond_Stereo_Count	0
703128	Defined_Bond_Stereo_Count	0
69807449	Hydrogen_Bond_Donor_Count	0
27350	Defined_Bond_Stereo_Count	0
15529	Hydrogen_Bond_Donor_Count	1
153305234	Isotope_Atom_Count	0
3203	Exact_Mass	315.0273907
135643052	XLogP3-AA	1.1
21989049	Hydrogen_Bond_Donor_Count	2
77532	Undefined_Atom_Stereo_Count	0
53243273	Mono_Isotopic_Weight	115.063328530
72823952	TPSA	40.5
5283387	Exact_Mass	281.271864740
62428	TPSA	26.3
148629737	Non-hydrogen_Atom_Count	8
87280026	Defined_Bond_Stereo_Count	0
66751253	Defined_Atom_Stereo_Count	0
76840	Rotatable_Bond_Count	4
4792	Undefined_Atom_Stereo_Count	8
158782	Rotatable_Bond_Count	26
11794741	Isotope_Atom_Count	0
538736	Total_Formal_Charge	0
522769	Total_Formal_Charge	0
10721	Molecular_Weight	117.15
5281069	Hydrogen_Bond_Donor_Count	2
142383	Rotatable_Bond_Count	1
135398599	Tautomer_Count	6
91184731	Exact_Mass	100.088815002
519466	TPSA	50.4
6328534	Isotope_Atom_Count	0
9255	Structure_Complexity	30.1
11389356	Isotope_Atom_Count	0
147919783	Rotatable_Bond_Count	3
14804729	Undefined_Atom_Stereo_Count	2
54682045	Rotatable_Bond_Count	5
84506	Defined_Atom_Stereo_Count	0
160998	Molecular_Weight	81.80
23675796	Exact_Mass	295.99666808
11114	Undefined_Bond_Stereo_Count	0
67330085	Isotope_Atom_Count	0
101627	TPSA	87
118796997	Isotope_Atom_Count	0
5323984	Structure_Complexity	118
55146	Tautomer_Count	2
9820008	Tautomer_Count	2
68646	Exact_Mass	229.1233420
70693582	Mono_Isotopic_Weight	447.21336163
6877	Non-hydrogen_Atom_Count	12
83782	Undefined_Atom_Stereo_Count	0
5958	Covalent_Unit_Count	1
24807614	Hydrogen_Bond_Donor_Count	5
12712037	Defined_Bond_Stereo_Count	0
12539503	Molecular_Weight	94.15
864651	Structure_Complexity	410
12259683	Mono_Isotopic_Weight	403.23587315
6917771	Isotope_Atom_Count	0
11768718	Covalent_Unit_Count	1
12102	Covalent_Unit_Count	1
147912	XLogP3	4.6
73265388	Defined_Atom_Stereo_Count	8
9227	Rotatable_Bond_Count	0
66144	XLogP3-AA	1.2
69912	TPSA	43.1
83996	Hydrogen_Bond_Donor_Count	5
15979	Isotope_Atom_Count	0
62411	Exact_Mass	174.08920892
153976605	Exact_Mass	113.047678466
11967617	Molecular_Weight	1104.99
92461203	Hydrogen_Bond_Acceptor_Count	5
7848	Hydrogen_Bond_Acceptor_Count	1
117059122	Molecular_Weight	288.31
161664	Undefined_Bond_Stereo_Count	0
37686	Non-hydrogen_Atom_Count	23
57660	Defined_Atom_Stereo_Count	0
83909	TPSA	29.5
62341	Molecular_Weight	164.20
14852477	Defined_Atom_Stereo_Count	0
266742	Undefined_Bond_Stereo_Count	0
139062656	Total_Formal_Charge	0
139154214	Hydrogen_Bond_Acceptor_Count	7
222464	Rotatable_Bond_Count	3
31621	Non-hydrogen_Atom_Count	22
17860191	Undefined_Atom_Stereo_Count	0
544180	XLogP3-AA	3.2
145820	Undefined_Atom_Stereo_Count	0
4247	Rotatable_Bond_Count	8
6437648	XLogP3-AA	4.9
20132002	Mono_Isotopic_Weight	82.053098200
54023641	Rotatable_Bond_Count	3
9894291	Isotope_Atom_Count	0
78318119	Hydrogen_Bond_Donor_Count	13
13040869	Covalent_Unit_Count	1
23581946	Rotatable_Bond_Count	4
24825251	TPSA	94.2
15234	TPSA	43.4
49937	XLogP3-AA	1.4
443041	XLogP3-AA	3.4
7808	Hydrogen_Bond_Donor_Count	1
5043	XLogP3-AA	2.6
9939927	Mono_Isotopic_Weight	700.32788900
16322	Non-hydrogen_Atom_Count	13
52343	Undefined_Bond_Stereo_Count	0
134755071	XLogP3	2.8
134537	Structure_Complexity	750
133025	Molecular_Weight	228.20
4739928	Hydrogen_Bond_Donor_Count	0
188414	Defined_Atom_Stereo_Count	0
60995	Non-hydrogen_Atom_Count	12
58611	Defined_Bond_Stereo_Count	0
12753	Undefined_Atom_Stereo_Count	0
153772784	Defined_Atom_Stereo_Count	0
5282360	Non-hydrogen_Atom_Count	21
11865436	Undefined_Bond_Stereo_Count	0
19784587	Hydrogen_Bond_Acceptor_Count	1
3003191	Undefined_Atom_Stereo_Count	1
95295	Defined_Bond_Stereo_Count	0
72325	Molecular_Weight	422.5
12302681	Covalent_Unit_Count	1
14678668	Hydrogen_Bond_Acceptor_Count	2
734215	XLogP3	4.4
46783795	Undefined_Atom_Stereo_Count	1
100016	Total_Formal_Charge	0
5289159	Molecular_Weight	305.4
39328	Total_Formal_Charge	0
67691	Total_Formal_Charge	0
3078	Defined_Bond_Stereo_Count	0
45484175	Hydrogen_Bond_Donor_Count	3
439186	Isotope_Atom_Count	0
145305028	Isotope_Atom_Count	0
63973	Total_Formal_Charge	0
118210492	Molecular_Weight	114.14
199229	Undefined_Atom_Stereo_Count	2
11286453	XLogP3-AA	0.2
54332589	Undefined_Bond_Stereo_Count	1
23349319	Non-hydrogen_Atom_Count	8
148201	Undefined_Atom_Stereo_Count	0
13140652	Isotope_Atom_Count	0
18137	Exact_Mass	198.07122084
3829279	Defined_Bond_Stereo_Count	0
79083	Non-hydrogen_Atom_Count	7
54278701	Exact_Mass	106.078250319
101606430	XLogP3-AA	7.3
57590	Undefined_Atom_Stereo_Count	0
129630635	Mono_Isotopic_Weight	113.027691913
439750	Total_Formal_Charge	0
140180	Non-hydrogen_Atom_Count	7
123558404	Structure_Complexity	88.1
692366	Structure_Complexity	266
703965	Structure_Complexity	241
55299073	Isotope_Atom_Count	0
77232	Molecular_Weight	161.32
77674	Rotatable_Bond_Count	0
156693217	Undefined_Atom_Stereo_Count	1
12933420	Structure_Complexity	45.3
1201386	Total_Formal_Charge	0
20708	TPSA	0
87609775	Hydrogen_Bond_Donor_Count	3
19065601	Defined_Atom_Stereo_Count	0
230995	Defined_Atom_Stereo_Count	0
20435	Defined_Atom_Stereo_Count	3
706529	Defined_Bond_Stereo_Count	0
13379	Total_Formal_Charge	0
159550	Structure_Complexity	669
60156	Exact_Mass	303.0120774
9844747	Molecular_Weight	415.5
73285	Structure_Complexity	409
16211986	Total_Formal_Charge	0
10197646	Undefined_Bond_Stereo_Count	0
564632	Covalent_Unit_Count	1
5311447	Non-hydrogen_Atom_Count	31
67339181	Undefined_Bond_Stereo_Count	0
296464	Rotatable_Bond_Count	3
5288075	Undefined_Bond_Stereo_Count	0
182139	Structure_Complexity	89.1
12289998	Isotope_Atom_Count	0
33353	Defined_Atom_Stereo_Count	1
57992122	Hydrogen_Bond_Acceptor_Count	4
20165534	Hydrogen_Bond_Donor_Count	0
44570889	Total_Formal_Charge	0
62669683	Structure_Complexity	76.6
21252905	Isotope_Atom_Count	0
123688932	Isotope_Atom_Count	0
44310775	TPSA	73.3
15158	Mono_Isotopic_Weight	161.9404218
443878	Hydrogen_Bond_Acceptor_Count	8
24726	TPSA	0
17865372	TPSA	77.6
28557	Non-hydrogen_Atom_Count	18
10409908	Rotatable_Bond_Count	5
70151	Rotatable_Bond_Count	2
23668198	Exact_Mass	251.03405664
55560	Mono_Isotopic_Weight	554.33558719
131668508	TPSA	332
23268890	Structure_Complexity	113
3100	Mono_Isotopic_Weight	255.162314293
29756	Hydrogen_Bond_Acceptor_Count	4
3474	Defined_Atom_Stereo_Count	0
91434	Isotope_Atom_Count	0
101915880	Total_Formal_Charge	0
10286834	Non-hydrogen_Atom_Count	25
71698	Undefined_Bond_Stereo_Count	0
141681	Molecular_Weight	128.05
148007841	Non-hydrogen_Atom_Count	8
11732	Total_Formal_Charge	0
131704205	Isotope_Atom_Count	0
556722	Defined_Atom_Stereo_Count	0
62398142	TPSA	35.8
2795115	Total_Formal_Charge	0
18758985	Total_Formal_Charge	0
129848667	Defined_Atom_Stereo_Count	0
20547	Non-hydrogen_Atom_Count	12
644077	Defined_Atom_Stereo_Count	8
8940	Structure_Complexity	390
137967	Undefined_Bond_Stereo_Count	0
123249588	Covalent_Unit_Count	1
68184518	Hydrogen_Bond_Acceptor_Count	2
165901	Mono_Isotopic_Weight	307.0975211
52914006	Undefined_Atom_Stereo_Count	2
541087	Undefined_Atom_Stereo_Count	3
55958	Structure_Complexity	411
92879	Undefined_Bond_Stereo_Count	0
11058021	Defined_Atom_Stereo_Count	0
62820	Rotatable_Bond_Count	3
146719	Rotatable_Bond_Count	3
158058588	Undefined_Atom_Stereo_Count	0
5288564	Isotope_Atom_Count	0
64184	Undefined_Atom_Stereo_Count	2
134692135	Isotope_Atom_Count	0
23567201	Isotope_Atom_Count	0
20592372	Non-hydrogen_Atom_Count	7
92043140	Undefined_Atom_Stereo_Count	0
90781811	Total_Formal_Charge	0
13795013	Hydrogen_Bond_Acceptor_Count	2
75779	Rotatable_Bond_Count	28
59964826	Undefined_Bond_Stereo_Count	0
119096	TPSA	80.7
24825253	Hydrogen_Bond_Donor_Count	0
14453685	Hydrogen_Bond_Acceptor_Count	1
151896	Rotatable_Bond_Count	6
2154	Isotope_Atom_Count	0
493342	Total_Formal_Charge	0
154361546	Molecular_Weight	101.15
24973796	TPSA	39.1
62828	Isotope_Atom_Count	0
55288133	Hydrogen_Bond_Donor_Count	1
2228691	Hydrogen_Bond_Acceptor_Count	5
2723699	Tautomer_Count	2
90943273	Exact_Mass	110.036779430
20055283	Rotatable_Bond_Count	17
31343	Total_Formal_Charge	0
6259976	TPSA	26.3
347477	Covalent_Unit_Count	1
13803506	Total_Formal_Charge	0
99069	Covalent_Unit_Count	1
4158661	Mono_Isotopic_Weight	419.20900695
21180574	Undefined_Bond_Stereo_Count	0
44563067	TPSA	105
17150	Structure_Complexity	707
9543050	TPSA	426
164868049	Defined_Bond_Stereo_Count	0
66561	Tautomer_Count	1
69424	Hydrogen_Bond_Acceptor_Count	1
77749	Mono_Isotopic_Weight	113.047678466
6931310	Molecular_Weight	268.33
2801129	Exact_Mass	225.9781343
4454009	Defined_Atom_Stereo_Count	0
36415	Rotatable_Bond_Count	1
98172	Isotope_Atom_Count	0
3570	Undefined_Bond_Stereo_Count	0
10812218	Undefined_Bond_Stereo_Count	0
123455	Defined_Atom_Stereo_Count	0
284950	Non-hydrogen_Atom_Count	11
447256	Mono_Isotopic_Weight	170.141913202
54058074	Undefined_Atom_Stereo_Count	0
5461123	Undefined_Bond_Stereo_Count	0
89699486	Mono_Isotopic_Weight	582.1394008
43157	Tautomer_Count	9
7493	Rotatable_Bond_Count	2
65370	Rotatable_Bond_Count	13
219993	Non-hydrogen_Atom_Count	34
56634286	Rotatable_Bond_Count	3
542675	Defined_Atom_Stereo_Count	0
65926	Undefined_Atom_Stereo_Count	1
3785	Hydrogen_Bond_Acceptor_Count	4
11986122	Hydrogen_Bond_Acceptor_Count	8
133568445	Structure_Complexity	1370
53355697	Undefined_Atom_Stereo_Count	1
43539930	Hydrogen_Bond_Acceptor_Count	2
60050	Defined_Bond_Stereo_Count	0
19490	Undefined_Bond_Stereo_Count	0
90956916	Hydrogen_Bond_Donor_Count	0
43002	Hydrogen_Bond_Donor_Count	1
7774	Total_Formal_Charge	0
89742285	Mono_Isotopic_Weight	342.11621151
6796	Isotope_Atom_Count	0
34794	TPSA	25.8
15644502	Undefined_Atom_Stereo_Count	1
2724564	Total_Formal_Charge	0
80511	Defined_Atom_Stereo_Count	0
60285	Undefined_Atom_Stereo_Count	0
48883	Mono_Isotopic_Weight	356.1283001
131632024	XLogP3-AA	2.3
70686373	Hydrogen_Bond_Donor_Count	2
24087	Hydrogen_Bond_Acceptor_Count	2
1268111	Rotatable_Bond_Count	4
34949	Molecular_Weight	304.6
156519226	Exact_Mass	110.073164938
135476770	Structure_Complexity	437
56842000	Non-hydrogen_Atom_Count	32
23327	Mono_Isotopic_Weight	147.05315777
11541511	Rotatable_Bond_Count	6
12235161	Molecular_Weight	193.28
15024801	Hydrogen_Bond_Donor_Count	0
189460	Mono_Isotopic_Weight	125.047678466
520326	Hydrogen_Bond_Acceptor_Count	2
4343	Total_Formal_Charge	0
17916	Undefined_Bond_Stereo_Count	0
32767	Hydrogen_Bond_Acceptor_Count	1
6474640	Isotope_Atom_Count	0
101602193	Covalent_Unit_Count	1
486026	Covalent_Unit_Count	1
146680	Defined_Atom_Stereo_Count	0
52542	Total_Formal_Charge	0
55286536	Exact_Mass	113.058911855
19354533	XLogP3-AA	1.9
28554	Mono_Isotopic_Weight	284.1291556
53673	Tautomer_Count	3
138991601	Undefined_Atom_Stereo_Count	1
5288672	Exact_Mass	359.1036691
101120059	Hydrogen_Bond_Donor_Count	0
30664	Rotatable_Bond_Count	0
6917860	Hydrogen_Bond_Acceptor_Count	9
132282518	Rotatable_Bond_Count	22
32765	Mono_Isotopic_Weight	393.89280
52361	Hydrogen_Bond_Acceptor_Count	3
445750	Undefined_Atom_Stereo_Count	0
38283	Undefined_Atom_Stereo_Count	3
6426849	Rotatable_Bond_Count	7
9325	Hydrogen_Bond_Donor_Count	0
461666	Exact_Mass	384.13213636
17779	Isotope_Atom_Count	0
84434	Total_Formal_Charge	0
450772	Rotatable_Bond_Count	2
85252	Rotatable_Bond_Count	4
16239	Defined_Atom_Stereo_Count	0
21719780	XLogP3-AA	1
33037	Non-hydrogen_Atom_Count	14
450772	Hydrogen_Bond_Acceptor_Count	5
14180	Hydrogen_Bond_Acceptor_Count	8
123164	Defined_Atom_Stereo_Count	0
4612	Mono_Isotopic_Weight	279.15829154
71625272	Structure_Complexity	464
65248	Rotatable_Bond_Count	3
5281650	Defined_Atom_Stereo_Count	0
3062	Mono_Isotopic_Weight	780.42960671
260716	Defined_Bond_Stereo_Count	0
3570	XLogP3-AA	3.9
46204403	Structure_Complexity	77
4479912	Structure_Complexity	593
131982921	Hydrogen_Bond_Acceptor_Count	2
15222	Rotatable_Bond_Count	5
131741206	Undefined_Bond_Stereo_Count	0
10658	Covalent_Unit_Count	1
53465848	TPSA	59.2
14711688	Hydrogen_Bond_Acceptor_Count	2
23353	Defined_Bond_Stereo_Count	0
57992175	Exact_Mass	417.22770851
43834	Rotatable_Bond_Count	5
12556904	Mono_Isotopic_Weight	116.083729621
24868286	Exact_Mass	254.9966172
246724	Total_Formal_Charge	0
5009	Molecular_Weight	323.4
12029691	Undefined_Atom_Stereo_Count	0
17754772	Hydrogen_Bond_Donor_Count	1
10439034	Rotatable_Bond_Count	10
23631288	Rotatable_Bond_Count	5
4250936	Rotatable_Bond_Count	0
9868452	XLogP3-AA	4.8
152257	Mono_Isotopic_Weight	201.151749610
541087	Non-hydrogen_Atom_Count	23
76748	Non-hydrogen_Atom_Count	10
21067	TPSA	44.4
10727124	Undefined_Bond_Stereo_Count	0
86583	Structure_Complexity	257
131704232	Undefined_Atom_Stereo_Count	1
104625	Structure_Complexity	223
4996851	Defined_Bond_Stereo_Count	0
24870668	Defined_Atom_Stereo_Count	19
5367719	Total_Formal_Charge	0
23707296	Exact_Mass	337.05488871
22175060	Hydrogen_Bond_Donor_Count	2
62098	Molecular_Weight	192.21
10772947	Non-hydrogen_Atom_Count	8
10264356	XLogP3	2.5
694652	Molecular_Weight	329.4
81325	Rotatable_Bond_Count	3
71624686	Total_Formal_Charge	0
13118	Mono_Isotopic_Weight	360.08183212
15877745	Total_Formal_Charge	0
7177	Undefined_Atom_Stereo_Count	0
36933	Undefined_Atom_Stereo_Count	0
54036295	Defined_Bond_Stereo_Count	0
72849	Hydrogen_Bond_Donor_Count	0
23643935	Hydrogen_Bond_Donor_Count	4
34377	Tautomer_Count	2
10727	Tautomer_Count	1
290807	XLogP3-AA	0.8
10424358	TPSA	115
74229	Defined_Atom_Stereo_Count	0
9974756	Undefined_Atom_Stereo_Count	0
61982	Undefined_Atom_Stereo_Count	2
85299214	Covalent_Unit_Count	1
67669	Mono_Isotopic_Weight	263.1216903
93114	Hydrogen_Bond_Donor_Count	2
9865808	Undefined_Bond_Stereo_Count	0
10898	Covalent_Unit_Count	1
41743	Rotatable_Bond_Count	2
73707340	Structure_Complexity	123
75310475	Defined_Bond_Stereo_Count	0
6437808	Undefined_Bond_Stereo_Count	0
70912	Undefined_Bond_Stereo_Count	0
2770166	TPSA	82.5
221292	TPSA	20.2
2569	Defined_Bond_Stereo_Count	0
4173327	Undefined_Atom_Stereo_Count	0
72521	Isotope_Atom_Count	0
75705	Undefined_Bond_Stereo_Count	0
4357	Exact_Mass	344.03856
16003447	Molecular_Weight	286.29
17750962	TPSA	134
73	Non-hydrogen_Atom_Count	27
22952912	Non-hydrogen_Atom_Count	8
21492261	Hydrogen_Bond_Acceptor_Count	1
5311243	Hydrogen_Bond_Donor_Count	3
21210	Structure_Complexity	54.9
77703	Hydrogen_Bond_Donor_Count	0
657073	Undefined_Atom_Stereo_Count	0
17690	Hydrogen_Bond_Acceptor_Count	0
5492898	Total_Formal_Charge	0
153932472	Undefined_Bond_Stereo_Count	0
6438372	Isotope_Atom_Count	0
422780	Undefined_Atom_Stereo_Count	0
91405	Hydrogen_Bond_Acceptor_Count	3
5801	Hydrogen_Bond_Acceptor_Count	2
27891	Structure_Complexity	272
23286	Isotope_Atom_Count	0
84391	Isotope_Atom_Count	0
28003	Tautomer_Count	1
6432729	Covalent_Unit_Count	1
123791702	Undefined_Bond_Stereo_Count	1
3033943	Undefined_Bond_Stereo_Count	0
62240	Isotope_Atom_Count	0
84866	Mono_Isotopic_Weight	191.058243149
58801077	Rotatable_Bond_Count	0
503760	Defined_Bond_Stereo_Count	0
27552	Covalent_Unit_Count	1
16073659	Total_Formal_Charge	0
10252	Structure_Complexity	215
33334	Hydrogen_Bond_Acceptor_Count	4
358299	Rotatable_Bond_Count	2
6433208	Mono_Isotopic_Weight	472.090968
621558	TPSA	118
71482479	Undefined_Bond_Stereo_Count	0
4896	Defined_Atom_Stereo_Count	0
8108	Tautomer_Count	1
157568	Hydrogen_Bond_Acceptor_Count	2
812042	Defined_Atom_Stereo_Count	1
7748	Non-hydrogen_Atom_Count	7
4567175	Exact_Mass	318.18444672
231360	Defined_Bond_Stereo_Count	0
9892864	Covalent_Unit_Count	1
11170931	Defined_Bond_Stereo_Count	0
5232423	Rotatable_Bond_Count	3
6440	Defined_Atom_Stereo_Count	0
57312199	Structure_Complexity	74.5
131852189	Hydrogen_Bond_Donor_Count	0
14693963	Defined_Atom_Stereo_Count	0
29625	TPSA	23.8
4369563	Rotatable_Bond_Count	2
21159388	Hydrogen_Bond_Donor_Count	0
73947328	Exact_Mass	179.07937252
93131	Undefined_Atom_Stereo_Count	0
4874	Hydrogen_Bond_Donor_Count	2
628447	XLogP3-AA	2.8
6344	Structure_Complexity	2.8
5242433	TPSA	28.6
73182	Non-hydrogen_Atom_Count	11
5752	Isotope_Atom_Count	0
163326	Hydrogen_Bond_Donor_Count	0
68983	Hydrogen_Bond_Donor_Count	0
5357349	Exact_Mass	101.084063974
7289	Hydrogen_Bond_Donor_Count	1
81097	Total_Formal_Charge	0
528143	Covalent_Unit_Count	1
3068840	Defined_Bond_Stereo_Count	0
14825	Covalent_Unit_Count	3
72016	Mono_Isotopic_Weight	216.126263138
3718	TPSA	57.6
3680	Molecular_Weight	434.5
24465	Defined_Bond_Stereo_Count	0
11145528	Undefined_Bond_Stereo_Count	0
70977832	Undefined_Atom_Stereo_Count	4
145832	Structure_Complexity	124
145151604	TPSA	56.2
5282350	Defined_Bond_Stereo_Count	2
441853	Undefined_Atom_Stereo_Count	0
15325996	Covalent_Unit_Count	1
29685	Undefined_Bond_Stereo_Count	0
219020	Mono_Isotopic_Weight	421.27292737
11116020	Exact_Mass	113.047678466
3083540	Structure_Complexity	439
23279315	Defined_Atom_Stereo_Count	0
12632903	Defined_Atom_Stereo_Count	0
57515833	Exact_Mass	102.0469501914
67680048	Covalent_Unit_Count	1
160368576	Total_Formal_Charge	0
154016567	Undefined_Bond_Stereo_Count	0
139061104	Hydrogen_Bond_Donor_Count	10
57397762	Mono_Isotopic_Weight	482.21403277
850502	Structure_Complexity	340
182139	Tautomer_Count	1
23725063	Mono_Isotopic_Weight	398.1123753
20680	Hydrogen_Bond_Acceptor_Count	3
446915	Structure_Complexity	1730
4273	Structure_Complexity	551
53707229	Molecular_Weight	94.11
5311027	Structure_Complexity	541
53930639	Exact_Mass	193.121512110
196639	Covalent_Unit_Count	1
7076	Hydrogen_Bond_Donor_Count	0
2762659	Undefined_Atom_Stereo_Count	0
122672156	Rotatable_Bond_Count	0
12643154	Defined_Atom_Stereo_Count	0
91820194	Structure_Complexity	283
141366	Structure_Complexity	166
88953	Hydrogen_Bond_Acceptor_Count	6
101614363	Molecular_Weight	278.39
63116	Mono_Isotopic_Weight	280.121177757
67556876	Hydrogen_Bond_Acceptor_Count	3
299801	Covalent_Unit_Count	1
25611	Hydrogen_Bond_Acceptor_Count	1
74346	Defined_Atom_Stereo_Count	0
134692366	Exact_Mass	413.22743373
656917	Defined_Bond_Stereo_Count	0
56834579	Undefined_Atom_Stereo_Count	0
49778730	Covalent_Unit_Count	1
23688957	Hydrogen_Bond_Donor_Count	1
7715	Tautomer_Count	1
11652923	Mono_Isotopic_Weight	335.16337692
657302	Tautomer_Count	2
533884	Isotope_Atom_Count	0
80369	Total_Formal_Charge	0
1064	Hydrogen_Bond_Acceptor_Count	6
5095	Rotatable_Bond_Count	7
7151	Isotope_Atom_Count	0
62592	Hydrogen_Bond_Acceptor_Count	2
6329567	Rotatable_Bond_Count	5
49865495	TPSA	64.9
149433	Exact_Mass	125.084063974
9548801	Defined_Atom_Stereo_Count	10
398729	TPSA	50.6
14490	Molecular_Weight	132.16
3262018	Rotatable_Bond_Count	0
66615619	Exact_Mass	522.1852265
70191	Defined_Atom_Stereo_Count	0
6791	Undefined_Bond_Stereo_Count	0
164705775	Hydrogen_Bond_Acceptor_Count	11
3085168	Defined_Atom_Stereo_Count	0
129861481	Undefined_Bond_Stereo_Count	0
231040	Non-hydrogen_Atom_Count	14
699222	TPSA	77
11274356	Isotope_Atom_Count	0
53708053	Defined_Bond_Stereo_Count	0
65815658	Exact_Mass	115.026943022
1683	Rotatable_Bond_Count	3
821629	Isotope_Atom_Count	0
447043	Mono_Isotopic_Weight	748.50852574
8920	Covalent_Unit_Count	1
19989310	Isotope_Atom_Count	0
110839	Isotope_Atom_Count	0
1479479	Hydrogen_Bond_Donor_Count	0
220001	Molecular_Weight	164.16
96271	XLogP3-AA	2.4
7543	Exact_Mass	266.0377538
483998	Rotatable_Bond_Count	5
12415356	XLogP3-AA	0
88890	Mono_Isotopic_Weight	280.193948774
537593	Non-hydrogen_Atom_Count	8
145607000	Defined_Bond_Stereo_Count	0
135449281	Molecular_Weight	268.23
688378	Hydrogen_Bond_Donor_Count	3
102351	Covalent_Unit_Count	1
6918407	Rotatable_Bond_Count	12
78031	Undefined_Atom_Stereo_Count	0
123535886	Structure_Complexity	108
61370	XLogP3-AA	1.2
3722	Total_Formal_Charge	0
30856	Molecular_Weight	216.59
168354	Covalent_Unit_Count	1
36560	Non-hydrogen_Atom_Count	14
7549	Isotope_Atom_Count	0
68862	Undefined_Atom_Stereo_Count	1
4454486	Structure_Complexity	245
534471	Structure_Complexity	129
1284234	Structure_Complexity	223
41022	Non-hydrogen_Atom_Count	32
37632	Undefined_Bond_Stereo_Count	0
57521	Isotope_Atom_Count	0
161562	Hydrogen_Bond_Donor_Count	0
73631	Mono_Isotopic_Weight	370.14163842
11180	Defined_Atom_Stereo_Count	0
79345	Defined_Atom_Stereo_Count	0
53669425	Molecular_Weight	259.20
78597	TPSA	57.6
26747	Total_Formal_Charge	0
3008895	Exact_Mass	1158.42089250
409452	Rotatable_Bond_Count	6
68322184	Exact_Mass	354.14920402
159055	Tautomer_Count	2
9819610	Non-hydrogen_Atom_Count	23
45120438	Isotope_Atom_Count	0
14523483	Undefined_Bond_Stereo_Count	0
11884	Structure_Complexity	220
25142700	Rotatable_Bond_Count	4
66062	Hydrogen_Bond_Acceptor_Count	4
12097423	Defined_Bond_Stereo_Count	0
75184787	Total_Formal_Charge	0
5360516	Covalent_Unit_Count	1
12228440	Covalent_Unit_Count	1
6252910	Total_Formal_Charge	0
5953	Isotope_Atom_Count	0
15957687	Isotope_Atom_Count	0
642792	Hydrogen_Bond_Donor_Count	0
60956	Exact_Mass	518.21653469
12225304	Covalent_Unit_Count	1
11040632	Total_Formal_Charge	0
439278	Tautomer_Count	1
521076	Exact_Mass	100.088815002
44392244	Undefined_Bond_Stereo_Count	0
139188	Defined_Bond_Stereo_Count	0
20334570	Total_Formal_Charge	0
135121698	Isotope_Atom_Count	0
90853172	Isotope_Atom_Count	0
3863	Rotatable_Bond_Count	6
6323491	Non-hydrogen_Atom_Count	25
49862688	Isotope_Atom_Count	0
104741	Hydrogen_Bond_Acceptor_Count	9
491022	TPSA	149
62876	Mono_Isotopic_Weight	222.161979940
138113391	XLogP3-AA	4
558	Exact_Mass	173.08004122
24214097	Non-hydrogen_Atom_Count	11
72149	Defined_Atom_Stereo_Count	0
518516	Defined_Bond_Stereo_Count	0
3080818	TPSA	59.4
70722	Defined_Atom_Stereo_Count	0
566455	Total_Formal_Charge	0
68321900	Exact_Mass	365.17394160
25953	TPSA	0
8567	Defined_Atom_Stereo_Count	4
13883023	Hydrogen_Bond_Donor_Count	20
6918973	Rotatable_Bond_Count	5
439517	Undefined_Bond_Stereo_Count	0
99824	Exact_Mass	132.078644241
4306436	Structure_Complexity	436
21917690	Isotope_Atom_Count	0
22419332	Hydrogen_Bond_Acceptor_Count	2
11969542	TPSA	85.4
2736567	Hydrogen_Bond_Donor_Count	1
11970261	Defined_Bond_Stereo_Count	3
447342	Molecular_Weight	499.6
99894	Molecular_Weight	103.12
135408752	Hydrogen_Bond_Acceptor_Count	9
73952292	Exact_Mass	665.30474055
6645	Non-hydrogen_Atom_Count	12
3033677	Mono_Isotopic_Weight	411.14167629
146160078	Total_Formal_Charge	0
37873	Tautomer_Count	2
21116680	Tautomer_Count	2
93104	Covalent_Unit_Count	1
18985	Total_Formal_Charge	0
54685734	Isotope_Atom_Count	0
10202381	Covalent_Unit_Count	1
17948	Covalent_Unit_Count	2
419182	Hydrogen_Bond_Donor_Count	1
75605138	Mono_Isotopic_Weight	428.0618375
6195	XLogP3	3.1
5721	Structure_Complexity	518
30717	Exact_Mass	264.089877630
51397006	Structure_Complexity	606
208954	Structure_Complexity	345
23377189	Undefined_Bond_Stereo_Count	0
135539077	Structure_Complexity	650
118984402	Mono_Isotopic_Weight	456.32261721
58996537	Structure_Complexity	87.7
449369	Defined_Bond_Stereo_Count	0
53897	Rotatable_Bond_Count	5
519907	Defined_Atom_Stereo_Count	0
18618	TPSA	224
13582607	Molecular_Weight	114.14
69388	Rotatable_Bond_Count	2
11167	TPSA	44.4
13662	TPSA	37.4
28467	TPSA	86.8
53960	Undefined_Bond_Stereo_Count	0
14839575	Covalent_Unit_Count	1
56927690	Isotope_Atom_Count	0
12585694	Non-hydrogen_Atom_Count	4
148931546	Total_Formal_Charge	0
3246323	Molecular_Weight	199.10
133562737	TPSA	161
5252324	Structure_Complexity	421
12047567	Hydrogen_Bond_Acceptor_Count	19
9547928	Undefined_Bond_Stereo_Count	0
6365696	Rotatable_Bond_Count	12
17458	Mono_Isotopic_Weight	386.08175801
9776841	XLogP3-AA	8.9
21719780	Undefined_Bond_Stereo_Count	0
69371	Rotatable_Bond_Count	0
69299	TPSA	53.2
60155183	Covalent_Unit_Count	1
15123308	TPSA	45.2
23058060	Defined_Atom_Stereo_Count	0
89206022	Rotatable_Bond_Count	13
161829	Exact_Mass	324.245315640
22015	Defined_Bond_Stereo_Count	0
12488	Covalent_Unit_Count	1
7735	Molecular_Weight	144.21
61295	XLogP3-AA	1.6
11693521	Covalent_Unit_Count	1
12709	Hydrogen_Bond_Donor_Count	0
12546079	Structure_Complexity	98.3
44201342	Rotatable_Bond_Count	187
454386	Tautomer_Count	5
62237	Mono_Isotopic_Weight	118.04523611
320760	Exact_Mass	972.31694049
17236	Tautomer_Count	1
1725	Non-hydrogen_Atom_Count	10
1482928	Total_Formal_Charge	0
3230	Total_Formal_Charge	0
21876618	Hydrogen_Bond_Acceptor_Count	2
24796710	Molecular_Weight	254.24
9949648	Exact_Mass	336.183778013
6702	Mono_Isotopic_Weight	237.078978594
287442	TPSA	148
12308	Hydrogen_Bond_Acceptor_Count	1
4889	Defined_Atom_Stereo_Count	0
54582078	Rotatable_Bond_Count	5
15558252	Structure_Complexity	1410
151707353	Exact_Mass	112.052429494
81110	Undefined_Bond_Stereo_Count	0
465951	Hydrogen_Bond_Donor_Count	1
12686	Isotope_Atom_Count	0
6537498	Tautomer_Count	1
80542	Rotatable_Bond_Count	4
129694674	Molecular_Weight	166.2
126843213	Undefined_Bond_Stereo_Count	0
40960	XLogP3	4.6
123792	Rotatable_Bond_Count	17
16678045	Hydrogen_Bond_Donor_Count	2
3327	Hydrogen_Bond_Donor_Count	1
117965	Rotatable_Bond_Count	5
70680969	Exact_Mass	482.18509845
95616	Defined_Bond_Stereo_Count	0
81097	Mono_Isotopic_Weight	173.0243562
124014051	Total_Formal_Charge	0
83346	Rotatable_Bond_Count	0
334447	Molecular_Weight	227.30
656981	Undefined_Bond_Stereo_Count	0
10228095	Covalent_Unit_Count	1
11062312	Defined_Bond_Stereo_Count	0
92214	Non-hydrogen_Atom_Count	11
9935073	Covalent_Unit_Count	1
4340561	Molecular_Weight	123.18
15982019	Molecular_Weight	481.5
29773	Total_Formal_Charge	0
3080	Total_Formal_Charge	0
54181480	Tautomer_Count	2
96509	Total_Formal_Charge	0
413534	Mono_Isotopic_Weight	277.10489686
704314	Exact_Mass	302.01836991
53664307	Mono_Isotopic_Weight	102.079312947
25183872	TPSA	98.7
5814	Tautomer_Count	8
6950353	Covalent_Unit_Count	1
22486473	Undefined_Bond_Stereo_Count	0
673	Hydrogen_Bond_Donor_Count	1
16324	Molecular_Weight	128.17
7216	Total_Formal_Charge	0
6379	Rotatable_Bond_Count	0
14920524	Total_Formal_Charge	0
92668	Hydrogen_Bond_Acceptor_Count	10
67259738	Molecular_Weight	110.07
274427	Structure_Complexity	105
5460135	Covalent_Unit_Count	3
141365	Molecular_Weight	126.18
12561969	XLogP3-AA	1.4
2781343	Exact_Mass	230.9312403
26660	Tautomer_Count	2
53477781	Rotatable_Bond_Count	12
1311	Undefined_Bond_Stereo_Count	0
524647	Undefined_Atom_Stereo_Count	2
13682918	Structure_Complexity	95.7
404422	Rotatable_Bond_Count	5
74506	Tautomer_Count	1
36131	Covalent_Unit_Count	1
89053239	Structure_Complexity	124
72741573	Undefined_Bond_Stereo_Count	0
92764	Exact_Mass	254.109550447
448601	Covalent_Unit_Count	1
7241	TPSA	0
1467	Non-hydrogen_Atom_Count	22
80875	Hydrogen_Bond_Donor_Count	0
71384614	TPSA	66.8
45248	Molecular_Weight	277.36
2724411	Isotope_Atom_Count	0
146159812	XLogP3-AA	6
57519517	XLogP3-AA	1.6
83478498	Hydrogen_Bond_Donor_Count	1
14459015	Non-hydrogen_Atom_Count	20
105427022	Undefined_Atom_Stereo_Count	0
45255110	Structure_Complexity	652
79242	Hydrogen_Bond_Donor_Count	2
138148	Mono_Isotopic_Weight	100.088815002
97617	Tautomer_Count	1
3019	Total_Formal_Charge	0
5485201	Rotatable_Bond_Count	2
62657	Defined_Bond_Stereo_Count	0
46936405	Non-hydrogen_Atom_Count	20
984396	Rotatable_Bond_Count	8
667466	Non-hydrogen_Atom_Count	21
136750	Structure_Complexity	153
70691154	Total_Formal_Charge	0
24848419	Rotatable_Bond_Count	7
89202746	Total_Formal_Charge	0
57123750	Structure_Complexity	2330
56520	Hydrogen_Bond_Acceptor_Count	3
135398743	Hydrogen_Bond_Donor_Count	5
15627	Total_Formal_Charge	0
15194034	Defined_Bond_Stereo_Count	0
1072	Hydrogen_Bond_Donor_Count	5
5363229	Tautomer_Count	5
71116	Hydrogen_Bond_Acceptor_Count	7
95479940	Total_Formal_Charge	0
6518103	Non-hydrogen_Atom_Count	23
139938268	Molecular_Weight	105.14
5282315	Mono_Isotopic_Weight	821.49254132
102102472	XLogP3-AA	3.2
78225491	TPSA	75.2
518516	TPSA	20.2
13449768	Covalent_Unit_Count	1
139585852	TPSA	60.9
9879	Defined_Atom_Stereo_Count	0
72177	Undefined_Atom_Stereo_Count	0
9548819	Non-hydrogen_Atom_Count	6
518966	Undefined_Atom_Stereo_Count	0
7764	Molecular_Weight	113.11
513	Molecular_Weight	206.15
21872570	Non-hydrogen_Atom_Count	8
53320444	Hydrogen_Bond_Donor_Count	2
126992483	Total_Formal_Charge	0
12466589	Hydrogen_Bond_Donor_Count	0
16843	Covalent_Unit_Count	1
8141	Total_Formal_Charge	0
4175	Total_Formal_Charge	0
188414	Structure_Complexity	109
11583	TPSA	17.1
91608418	Non-hydrogen_Atom_Count	8
64033	Non-hydrogen_Atom_Count	19
30209	Total_Formal_Charge	0
67516	Tautomer_Count	2
69089	Total_Formal_Charge	0
124075	Tautomer_Count	1
4865	TPSA	92.7
3641960	Exact_Mass	226.9783716
16212088	Non-hydrogen_Atom_Count	12
60196438	Molecular_Weight	387.8
129704588	Hydrogen_Bond_Acceptor_Count	7
65573725	Exact_Mass	98.036779430
517273	Isotope_Atom_Count	0
9973799	XLogP3-AA	4.6
123859265	Isotope_Atom_Count	0
146050491	Structure_Complexity	2830
16437056	Mono_Isotopic_Weight	113.058911855
14794987	Undefined_Atom_Stereo_Count	0
71737800	XLogP3-AA	1.1
11115032	Covalent_Unit_Count	1
23543714	Mono_Isotopic_Weight	112.027277375
12968	Mono_Isotopic_Weight	189.11873540
443382	Defined_Atom_Stereo_Count	2
6710664	Rotatable_Bond_Count	5
138477	Hydrogen_Bond_Acceptor_Count	3
86367	Undefined_Bond_Stereo_Count	0
14678666	Rotatable_Bond_Count	2
53977611	Exact_Mass	102.068079557
55285855	Mono_Isotopic_Weight	114.05416083
11587639	TPSA	56.6
62770	Isotope_Atom_Count	0
6628	Molecular_Weight	214.24
11921	Defined_Atom_Stereo_Count	0
62706165	XLogP3-AA	3.7
11960468	Defined_Bond_Stereo_Count	0
101813505	Covalent_Unit_Count	2
163379880	XLogP3-AA	1.3
91	Isotope_Atom_Count	0
837924	Undefined_Atom_Stereo_Count	0
6426740	Covalent_Unit_Count	1
163866164	Defined_Atom_Stereo_Count	0
55473	Non-hydrogen_Atom_Count	26
5282402	Mono_Isotopic_Weight	373.1444713
657308	Mono_Isotopic_Weight	411.14091
22737404	Undefined_Bond_Stereo_Count	0
9718	Defined_Atom_Stereo_Count	0
3015	Covalent_Unit_Count	1
16186582	Defined_Bond_Stereo_Count	0
54422686	Undefined_Bond_Stereo_Count	0
55301151	Structure_Complexity	94.1
542381	Hydrogen_Bond_Donor_Count	1
11679946	Hydrogen_Bond_Donor_Count	2
529031	Rotatable_Bond_Count	1
39507	Exact_Mass	370.25079494
8097	Molecular_Weight	172.31
738541	Isotope_Atom_Count	0
53302285	Non-hydrogen_Atom_Count	7
74802	Mono_Isotopic_Weight	148.027277375
2752648	Rotatable_Bond_Count	1
5359353	Total_Formal_Charge	0
681963	Hydrogen_Bond_Donor_Count	0
3020	Covalent_Unit_Count	1
57401151	Covalent_Unit_Count	1
713762	Defined_Atom_Stereo_Count	0
40523471	Molecular_Weight	347.4
562	XLogP3-AA	0.8
492976	Isotope_Atom_Count	0
175540	Hydrogen_Bond_Donor_Count	3
42552713	Defined_Atom_Stereo_Count	10
5795731	Rotatable_Bond_Count	2
447945	Undefined_Atom_Stereo_Count	0
528407	Covalent_Unit_Count	1
13214	Mono_Isotopic_Weight	161.00888727
694146	Rotatable_Bond_Count	1
123304439	Total_Formal_Charge	0
124328164	Exact_Mass	530.28796829
21853	Total_Formal_Charge	0
534838	Hydrogen_Bond_Donor_Count	0
347476	Defined_Atom_Stereo_Count	0
444837	Undefined_Bond_Stereo_Count	0
44229199	Covalent_Unit_Count	1
172997	TPSA	54.3
3017748	Defined_Bond_Stereo_Count	0
62662	Rotatable_Bond_Count	0
129320263	Exact_Mass	337.05798562
18140	Undefined_Bond_Stereo_Count	0
47320	Undefined_Bond_Stereo_Count	0
82593536	Undefined_Atom_Stereo_Count	1
2794575	Covalent_Unit_Count	1
446320	Covalent_Unit_Count	1
443239	Hydrogen_Bond_Acceptor_Count	6
179849	Undefined_Bond_Stereo_Count	0
52949464	Mono_Isotopic_Weight	415.15076138
7518	Rotatable_Bond_Count	1
74087	Undefined_Atom_Stereo_Count	0
60627	Hydrogen_Bond_Donor_Count	1
16704	Structure_Complexity	92.5
53628842	Covalent_Unit_Count	3
46853873	Tautomer_Count	1000
21124335	Tautomer_Count	3
21014417	Defined_Bond_Stereo_Count	0
50888	Undefined_Atom_Stereo_Count	1
59453356	Molecular_Weight	111.10
449555	Covalent_Unit_Count	1
22182	Non-hydrogen_Atom_Count	25
140152869	Mono_Isotopic_Weight	98.084398327
65335	Non-hydrogen_Atom_Count	18
1718	XLogP3-AA	1
7750	Hydrogen_Bond_Donor_Count	0
24884197	Non-hydrogen_Atom_Count	9
63134	XLogP3	2.4
133169	Mono_Isotopic_Weight	294.11033829
3680	Structure_Complexity	910
22450295	Exact_Mass	116.058577502
17818	Covalent_Unit_Count	1
6538981	Defined_Bond_Stereo_Count	0
31201	Covalent_Unit_Count	1
55352	Hydrogen_Bond_Donor_Count	0
3000603	Covalent_Unit_Count	1
145068	TPSA	18.1
200424	Tautomer_Count	1
2741	Hydrogen_Bond_Donor_Count	1
54758599	Hydrogen_Bond_Donor_Count	23
20093425	Mono_Isotopic_Weight	109.027611728
84871	Exact_Mass	466.111476
5283344	Covalent_Unit_Count	1
53436345	Isotope_Atom_Count	0
139291703	Undefined_Atom_Stereo_Count	0
7499	Non-hydrogen_Atom_Count	8
6450806	TPSA	69.5
71024610	Exact_Mass	342.11621151
88489334	Undefined_Atom_Stereo_Count	0
18719616	Rotatable_Bond_Count	1
564654	Defined_Atom_Stereo_Count	0
123634	Hydrogen_Bond_Acceptor_Count	8
1630	XLogP3-AA	0.7
26058	Hydrogen_Bond_Acceptor_Count	0
58853091	Exact_Mass	100.088815002
3045401	XLogP3-AA	2.8
14385	Molecular_Weight	351.0
65409	Structure_Complexity	314
1376	Defined_Bond_Stereo_Count	0
72573106	Hydrogen_Bond_Donor_Count	3
12344722	Molecular_Weight	93.13
11205	Exact_Mass	331.66925
12599701	Exact_Mass	102.068079557
71148	Non-hydrogen_Atom_Count	28
140982253	Hydrogen_Bond_Acceptor_Count	1
5311037	TPSA	76.9
5281055	Isotope_Atom_Count	0
23688461	Isotope_Atom_Count	0
123351940	Hydrogen_Bond_Donor_Count	0
101739878	Defined_Bond_Stereo_Count	1
11819042	Isotope_Atom_Count	0
229126	Defined_Bond_Stereo_Count	0
17110	Mono_Isotopic_Weight	287.25727730
84591	Isotope_Atom_Count	0
136430	Defined_Atom_Stereo_Count	0
93285	Mono_Isotopic_Weight	195.125928785
57390796	Hydrogen_Bond_Donor_Count	3
8106	XLogP3	3.3
70680969	XLogP3-AA	3.9
2734164	Defined_Atom_Stereo_Count	0
622435	Undefined_Atom_Stereo_Count	1
66673773	TPSA	41.5
20209436	Non-hydrogen_Atom_Count	38
67486	Structure_Complexity	193
25701	Hydrogen_Bond_Donor_Count	3
5281080	Total_Formal_Charge	0
44629681	TPSA	107
72200166	Mono_Isotopic_Weight	621.32523719
7859	Undefined_Bond_Stereo_Count	0
656630	TPSA	288
201	Exact_Mass	654.38142824
11233	Non-hydrogen_Atom_Count	8
9022	Total_Formal_Charge	1
9954739	Undefined_Bond_Stereo_Count	0
61420	Undefined_Bond_Stereo_Count	0
6539029	Mono_Isotopic_Weight	465.19469430
11224214	Non-hydrogen_Atom_Count	32
115140	Covalent_Unit_Count	2
136790	Rotatable_Bond_Count	3
542152	Tautomer_Count	1
6515	Undefined_Atom_Stereo_Count	0
24848413	Defined_Atom_Stereo_Count	0
437080	Undefined_Atom_Stereo_Count	26
56619338	Non-hydrogen_Atom_Count	12
92775	Hydrogen_Bond_Donor_Count	3
6100711	Covalent_Unit_Count	2
140956	Undefined_Atom_Stereo_Count	0
13282	Defined_Bond_Stereo_Count	0
28554	Defined_Atom_Stereo_Count	0
141210309	Undefined_Atom_Stereo_Count	2
96563	Defined_Bond_Stereo_Count	0
6777	Hydrogen_Bond_Acceptor_Count	4
67416	Tautomer_Count	1
64722979	Isotope_Atom_Count	0
7566942	TPSA	190
439271	Mono_Isotopic_Weight	383.14276061
6509724	Structure_Complexity	539
7026	Undefined_Atom_Stereo_Count	0
117968974	Defined_Bond_Stereo_Count	0
50376	Defined_Atom_Stereo_Count	0
6971070	Defined_Atom_Stereo_Count	0
134825353	Defined_Bond_Stereo_Count	0
99923	Total_Formal_Charge	0
60192	Undefined_Atom_Stereo_Count	6
10080341	Rotatable_Bond_Count	0
66	TPSA	20.2
11142	XLogP3-AA	3.4
11263471	Rotatable_Bond_Count	0
91469	Undefined_Atom_Stereo_Count	0
455041	Defined_Atom_Stereo_Count	2
6087	Structure_Complexity	600
43818	Molecular_Weight	320.9
7974	Rotatable_Bond_Count	0
49868142	Structure_Complexity	12
9500	Isotope_Atom_Count	0
94381	Defined_Bond_Stereo_Count	0
66764350	Total_Formal_Charge	0
53387504	Non-hydrogen_Atom_Count	17
58528	Exact_Mass	256.121177757
44339136	TPSA	150
20864	Defined_Bond_Stereo_Count	0
16211113	Defined_Atom_Stereo_Count	0
3081372	Undefined_Bond_Stereo_Count	0
162807	Total_Formal_Charge	0
3050	Undefined_Bond_Stereo_Count	0
92131209	Defined_Atom_Stereo_Count	2
22833567	Exact_Mass	318.255880323
78179	Exact_Mass	148.121177757
10099005	Defined_Atom_Stereo_Count	0
11457683	Exact_Mass	116.083729621
448042	Mono_Isotopic_Weight	247.168462302
65834	Undefined_Atom_Stereo_Count	0
53696	Mono_Isotopic_Weight	519.0801742
21658180	Isotope_Atom_Count	0
81946	Covalent_Unit_Count	1
127441	Defined_Bond_Stereo_Count	0
96344	Hydrogen_Bond_Acceptor_Count	3
10909508	Defined_Bond_Stereo_Count	0
73619	Non-hydrogen_Atom_Count	47
32912	Mono_Isotopic_Weight	256.240230259
71625031	Mono_Isotopic_Weight	487.22711999
68438	Non-hydrogen_Atom_Count	12
143378061	TPSA	44.2
14862984	XLogP3-AA	0.3
70695756	Isotope_Atom_Count	0
44033	Hydrogen_Bond_Donor_Count	1
28431	XLogP3-AA	0.4
418587	Mono_Isotopic_Weight	677.30474055
12040	Tautomer_Count	1
135705228	Total_Formal_Charge	0
75494	Covalent_Unit_Count	1
9964	Defined_Atom_Stereo_Count	0
10977	Exact_Mass	106.0549280
147919783	Non-hydrogen_Atom_Count	7
9930049	TPSA	51.2
19792224	Hydrogen_Bond_Acceptor_Count	3
21278826	Covalent_Unit_Count	1
5233032	Defined_Bond_Stereo_Count	0
39859	Rotatable_Bond_Count	10
44097	Total_Formal_Charge	0
13945	Defined_Bond_Stereo_Count	0
24360	Hydrogen_Bond_Acceptor_Count	5
131720661	Exact_Mass	228.06338810
20231751	Exact_Mass	160.9560951
129897177	Covalent_Unit_Count	2
63503	Defined_Bond_Stereo_Count	0
6926378	Exact_Mass	168.102453689
3083585	Isotope_Atom_Count	0
83553	Hydrogen_Bond_Acceptor_Count	3
25052023	Isotope_Atom_Count	0
73921	Molecular_Weight	207.23
122174240	Hydrogen_Bond_Donor_Count	2
81569	Mono_Isotopic_Weight	117.078978594
7213679	XLogP3	2.3
359231	TPSA	20.2
5062223	Defined_Atom_Stereo_Count	0
15825450	Covalent_Unit_Count	1
2772	Exact_Mass	489.11515669
8378	Hydrogen_Bond_Acceptor_Count	19
44310781	Covalent_Unit_Count	1
9931156	Exact_Mass	406.14411864
4302	Mono_Isotopic_Weight	233.03242232
408763	Exact_Mass	350.16304257
10814237	Tautomer_Count	1
25127299	TPSA	67.9
9844557	XLogP3-AA	6.5
192912	Exact_Mass	286.83642
692352	Undefined_Bond_Stereo_Count	1
24916845	Non-hydrogen_Atom_Count	45
16224745	Isotope_Atom_Count	0
161930	Isotope_Atom_Count	0
4118	Rotatable_Bond_Count	14
53779803	Defined_Atom_Stereo_Count	0
54265485	XLogP3-AA	0.8
55478	Molecular_Weight	697.1
56629862	Molecular_Weight	101.15
70615	Defined_Bond_Stereo_Count	0
63255	XLogP3	2.9
13725871	Undefined_Bond_Stereo_Count	0
94228	Structure_Complexity	574
12305	Non-hydrogen_Atom_Count	7
56851705	Hydrogen_Bond_Donor_Count	3
18050	Structure_Complexity	62.7
9935274	Defined_Bond_Stereo_Count	0
89388	Undefined_Atom_Stereo_Count	0
440068	Mono_Isotopic_Weight	434.24334058
737769	Defined_Bond_Stereo_Count	0
7213685	Rotatable_Bond_Count	0
25271781	Defined_Bond_Stereo_Count	0
88406	Non-hydrogen_Atom_Count	10
155884462	Defined_Atom_Stereo_Count	1
11715767	Hydrogen_Bond_Donor_Count	2
16211233	Non-hydrogen_Atom_Count	12
6614	Undefined_Bond_Stereo_Count	0
44345281	TPSA	91.4
91	Hydrogen_Bond_Donor_Count	2
130349042	Undefined_Atom_Stereo_Count	0
13570516	XLogP3-AA	1.4
41744	TPSA	215
4168	Structure_Complexity	300
121290477	Undefined_Atom_Stereo_Count	9
22976356	Total_Formal_Charge	0
5893	Isotope_Atom_Count	0
15174929	Molecular_Weight	404.5
44560771	Molecular_Weight	362.4
65709	Rotatable_Bond_Count	8
13743295	TPSA	77.3
33135	Defined_Atom_Stereo_Count	0
5138	XLogP3-AA	1.7
194647	Undefined_Atom_Stereo_Count	8
10909485	Undefined_Bond_Stereo_Count	0
154561905	Hydrogen_Bond_Donor_Count	0
2781343	Molecular_Weight	232.09
63093	Isotope_Atom_Count	0
48870	TPSA	73.1
11529	Exact_Mass	130.099379685
68258	Total_Formal_Charge	0
2909	Undefined_Bond_Stereo_Count	1
162636	Defined_Bond_Stereo_Count	0
19078651	Molecular_Weight	117.10
21584531	Non-hydrogen_Atom_Count	5
8125	Hydrogen_Bond_Acceptor_Count	0
13738	Total_Formal_Charge	0
3009010	XLogP3-AA	3.6
11430	Molecular_Weight	138.205
454202	Rotatable_Bond_Count	7
95913783	Non-hydrogen_Atom_Count	7
12270637	Total_Formal_Charge	0
562676	Mono_Isotopic_Weight	299.11575802
72200849	Exact_Mass	547.22536642
91284311	Undefined_Bond_Stereo_Count	0
40903	Covalent_Unit_Count	1
5281915	Rotatable_Bond_Count	31
119097293	Undefined_Bond_Stereo_Count	0
36357	Exact_Mass	352.21105539
11815279	Rotatable_Bond_Count	2
67548	TPSA	20.2
23165199	Undefined_Bond_Stereo_Count	0
192727	Mono_Isotopic_Weight	98.036779430
4241466	Non-hydrogen_Atom_Count	16
7058	Non-hydrogen_Atom_Count	11
70689065	Defined_Atom_Stereo_Count	0
44552607	Undefined_Atom_Stereo_Count	1
84715968	Undefined_Bond_Stereo_Count	0
24848261	Molecular_Weight	413.9
19049	Covalent_Unit_Count	1
156614100	Non-hydrogen_Atom_Count	22
23111554	Rotatable_Bond_Count	4
71301276	Rotatable_Bond_Count	2
9874875	XLogP3-AA	8.1
540877	Isotope_Atom_Count	0
733511	Non-hydrogen_Atom_Count	24
5284447	Rotatable_Bond_Count	3
163253928	TPSA	24.4
11779786	Total_Formal_Charge	0
9236	Molecular_Weight	111.18
2863	Undefined_Bond_Stereo_Count	0
44338970	Mono_Isotopic_Weight	485.11128449
71517697	Molecular_Weight	457.5
130113566	Defined_Atom_Stereo_Count	0
9583	Total_Formal_Charge	0
82736	Undefined_Bond_Stereo_Count	0
62015	Hydrogen_Bond_Donor_Count	0
3572	Hydrogen_Bond_Acceptor_Count	3
23165199	Mono_Isotopic_Weight	110.073164938
441966	Total_Formal_Charge	0
12038941	Undefined_Atom_Stereo_Count	0
15567528	Mono_Isotopic_Weight	112.063662883
6071	Covalent_Unit_Count	1
88800	Hydrogen_Bond_Acceptor_Count	3
9894291	Rotatable_Bond_Count	5
5735	Structure_Complexity	573
130770920	Non-hydrogen_Atom_Count	8
1550846	Hydrogen_Bond_Donor_Count	0
24866867	Rotatable_Bond_Count	7
8376	Undefined_Bond_Stereo_Count	0
8818	Tautomer_Count	2
4953	Rotatable_Bond_Count	12
5975	Undefined_Bond_Stereo_Count	0
410914	Structure_Complexity	542
5324720	Tautomer_Count	3
53324128	TPSA	78.3
86102	Structure_Complexity	326
586156	Isotope_Atom_Count	0
4580	Hydrogen_Bond_Acceptor_Count	6
17181	Total_Formal_Charge	0
108046	Covalent_Unit_Count	1
74041114	Covalent_Unit_Count	1
67326	Undefined_Atom_Stereo_Count	0
59665407	Undefined_Bond_Stereo_Count	0
4571243	Structure_Complexity	296
411840	Hydrogen_Bond_Acceptor_Count	2
71578106	Hydrogen_Bond_Acceptor_Count	9
11534	Defined_Atom_Stereo_Count	0
5886	Covalent_Unit_Count	1
5358902	Hydrogen_Bond_Acceptor_Count	4
135413552	TPSA	33.6
20797	XLogP3-AA	3.9
55874	TPSA	119
9796154	XLogP3-AA	2.9
100094	Covalent_Unit_Count	1
69229	Undefined_Bond_Stereo_Count	0
68163	Covalent_Unit_Count	1
131750798	Total_Formal_Charge	0
84071885	Undefined_Bond_Stereo_Count	0
94617	Hydrogen_Bond_Donor_Count	0
88728889	Mono_Isotopic_Weight	115.074561919
23674745	Undefined_Bond_Stereo_Count	0
3916406	Mono_Isotopic_Weight	196.04840674
518924	Undefined_Bond_Stereo_Count	0
550942	Exact_Mass	171.149738234
41212	Total_Formal_Charge	0
32049	Non-hydrogen_Atom_Count	15
4487902	Molecular_Weight	522.6
681255	Isotope_Atom_Count	0
3085326	Undefined_Bond_Stereo_Count	0
4048	Covalent_Unit_Count	1
172306	Exact_Mass	591.1707033
89053261	Isotope_Atom_Count	0
11269297	Structure_Complexity	535
71511839	TPSA	618
54311466	Defined_Bond_Stereo_Count	0
21922278	Non-hydrogen_Atom_Count	7
529448	Defined_Bond_Stereo_Count	0
38666	Molecular_Weight	370.1
9833984	Exact_Mass	140.02766866
89158693	Mono_Isotopic_Weight	110.073164938
71443	Structure_Complexity	122
24965990	Hydrogen_Bond_Donor_Count	0
37114	Rotatable_Bond_Count	3
283	Tautomer_Count	1
13200773	Defined_Atom_Stereo_Count	0
97971	Hydrogen_Bond_Acceptor_Count	3
15174589	Covalent_Unit_Count	1
5357479	Undefined_Atom_Stereo_Count	0
12344797	Hydrogen_Bond_Acceptor_Count	2
429095	Undefined_Atom_Stereo_Count	0
628127	Isotope_Atom_Count	0
3456	Defined_Bond_Stereo_Count	0
90352849	Total_Formal_Charge	0
14708	Mono_Isotopic_Weight	330.230728204
27761	Non-hydrogen_Atom_Count	22
60196412	Total_Formal_Charge	0
3400822	Tautomer_Count	1
10471931	Undefined_Bond_Stereo_Count	0
176155	Mono_Isotopic_Weight	377.09981148
560	Undefined_Atom_Stereo_Count	2
4996851	Hydrogen_Bond_Donor_Count	2
86373	Molecular_Weight	774.13
123792659	Mono_Isotopic_Weight	110.109550447
9266	Exact_Mass	112.125200510
208880	Non-hydrogen_Atom_Count	8
21895922	TPSA	0
54404212	Undefined_Bond_Stereo_Count	0
80622	Covalent_Unit_Count	1
61867	Defined_Atom_Stereo_Count	0
87391	Defined_Bond_Stereo_Count	0
11062321	TPSA	37.3
132274874	Exact_Mass	742.23202911
14273	Non-hydrogen_Atom_Count	8
59814883	Undefined_Atom_Stereo_Count	0
10101269	Total_Formal_Charge	0
63985	Hydrogen_Bond_Donor_Count	1
56955933	Total_Formal_Charge	0
71387	Non-hydrogen_Atom_Count	28
87503479	Undefined_Bond_Stereo_Count	0
24868267	Defined_Atom_Stereo_Count	0
69578	Molecular_Weight	94.03
84896	Undefined_Atom_Stereo_Count	0
31336	Non-hydrogen_Atom_Count	24
19933114	Exact_Mass	98.073164938
15535343	Defined_Bond_Stereo_Count	0
11298500	Mono_Isotopic_Weight	194.167065321
441305	Covalent_Unit_Count	1
92299	Total_Formal_Charge	0
4845	Hydrogen_Bond_Donor_Count	4
21703153	Molecular_Weight	109.13
123690360	Defined_Atom_Stereo_Count	0
24723	Defined_Bond_Stereo_Count	0
11116543	Non-hydrogen_Atom_Count	12
10636633	Hydrogen_Bond_Donor_Count	0
66073187	Isotope_Atom_Count	0
79322731	XLogP3-AA	1.1
3000825	Total_Formal_Charge	0
66327	Undefined_Bond_Stereo_Count	0
9523	Mono_Isotopic_Weight	185.02154
23991	Rotatable_Bond_Count	0
36680	Undefined_Bond_Stereo_Count	0
126968609	Total_Formal_Charge	0
19543	Covalent_Unit_Count	1
5380976	Rotatable_Bond_Count	1
7222	Hydrogen_Bond_Acceptor_Count	2
45358040	Undefined_Bond_Stereo_Count	0
50501	Defined_Bond_Stereo_Count	0
88051007	Defined_Bond_Stereo_Count	0
102515	Structure_Complexity	59.4
6538998	Defined_Bond_Stereo_Count	0
163488608	Molecular_Weight	96.13
124701961	Hydrogen_Bond_Donor_Count	1
14868106	Isotope_Atom_Count	0
16844	Exact_Mass	149.0607417
12309347	Exact_Mass	665.12477262
62477	Covalent_Unit_Count	1
16950	Exact_Mass	290.12263431
9048976	Rotatable_Bond_Count	7
60652	Exact_Mass	308.0828741
4579	Defined_Atom_Stereo_Count	0
11049	Defined_Atom_Stereo_Count	0
8402	Exact_Mass	232.06703418
14800	Total_Formal_Charge	1
156580481	Undefined_Bond_Stereo_Count	3
5756	Total_Formal_Charge	0
44539266	Hydrogen_Bond_Acceptor_Count	9
90736069	Hydrogen_Bond_Donor_Count	2
197127	TPSA	123
6507255	Undefined_Bond_Stereo_Count	0
28754	Covalent_Unit_Count	1
31283	XLogP3-AA	6.7
71583271	XLogP3-AA	3.5
20774105	Defined_Bond_Stereo_Count	0
25008940	Total_Formal_Charge	0
21691039	Defined_Atom_Stereo_Count	0
9276	Exact_Mass	325.13140809
18815	Non-hydrogen_Atom_Count	19
20226563	Defined_Atom_Stereo_Count	0
90916291	Hydrogen_Bond_Acceptor_Count	1
21258259	Mono_Isotopic_Weight	117.042593085
68947	TPSA	37.3
12754	Molecular_Weight	191.45
3775	Defined_Atom_Stereo_Count	0
89789591	Undefined_Bond_Stereo_Count	0
71221	Undefined_Bond_Stereo_Count	0
864	Defined_Atom_Stereo_Count	0
522536	Covalent_Unit_Count	1
70385	Isotope_Atom_Count	0
6411	Molecular_Weight	112.11
14637946	Undefined_Bond_Stereo_Count	0
92845182	Molecular_Weight	495.4
9908927	Mono_Isotopic_Weight	396.77711
56955954	Hydrogen_Bond_Donor_Count	3
9662	Molecular_Weight	98.48
86510	Covalent_Unit_Count	1
314533	Isotope_Atom_Count	0
11205720	Undefined_Atom_Stereo_Count	0
10645	Total_Formal_Charge	0
13699300	Mono_Isotopic_Weight	116.047344113
54185723	Defined_Atom_Stereo_Count	0
74839	Molecular_Weight	207.23
6918013	Molecular_Weight	739.0
65049734	Exact_Mass	112.088815002
820051	Non-hydrogen_Atom_Count	12
5249209	Structure_Complexity	326
2531	Mono_Isotopic_Weight	648.994155
9993	Undefined_Atom_Stereo_Count	0
10575614	Hydrogen_Bond_Donor_Count	1
69975	Defined_Bond_Stereo_Count	0
70697352	Defined_Bond_Stereo_Count	0
6947	Non-hydrogen_Atom_Count	10
129652927	Mono_Isotopic_Weight	99.032028402
76127	Mono_Isotopic_Weight	226.01350
46782362	Exact_Mass	446.13339966
140015	Molecular_Weight	114.14
94355	Total_Formal_Charge	0
3678	Non-hydrogen_Atom_Count	21
132274070	Rotatable_Bond_Count	11
366248	Non-hydrogen_Atom_Count	64
5352449	Total_Formal_Charge	0
18669439	Hydrogen_Bond_Donor_Count	2
77690	Isotope_Atom_Count	0
445049	Exact_Mass	352.22497412
11957521	Defined_Atom_Stereo_Count	6
44429837	Hydrogen_Bond_Acceptor_Count	15
21617086	Exact_Mass	113.047678466
16224745	Hydrogen_Bond_Donor_Count	2
6473883	Tautomer_Count	2
82711397	Rotatable_Bond_Count	1
7621	Rotatable_Bond_Count	8
57090177	Covalent_Unit_Count	1
9823	Undefined_Atom_Stereo_Count	0
102426204	Exact_Mass	416.32904526
20688852	Molecular_Weight	101.10
77079	Tautomer_Count	2
854418	Total_Formal_Charge	0
6916033	Tautomer_Count	1
699414	Defined_Bond_Stereo_Count	1
665263	Defined_Bond_Stereo_Count	0
2734940	Non-hydrogen_Atom_Count	38
9893474	Isotope_Atom_Count	0
68794	Undefined_Atom_Stereo_Count	3
7568485	Undefined_Bond_Stereo_Count	0
5256228	Undefined_Bond_Stereo_Count	0
83845335	TPSA	58.2
4241466	Mono_Isotopic_Weight	224.177630004
15561851	TPSA	23.8
13795008	XLogP3-AA	0.6
44193111	Exact_Mass	396.1040837
5288573	Mono_Isotopic_Weight	220.07355886
11296583	Rotatable_Bond_Count	7
21391884	Covalent_Unit_Count	1
5311356	Molecular_Weight	398.5
91224654	Mono_Isotopic_Weight	108.093900383
66811197	Hydrogen_Bond_Acceptor_Count	10
11789176	Undefined_Bond_Stereo_Count	0
11297948	Hydrogen_Bond_Donor_Count	1
12219138	Exact_Mass	244.06953611
12328896	Molecular_Weight	783.8
23279312	Structure_Complexity	123
97983	Mono_Isotopic_Weight	82.041864811
2407	Isotope_Atom_Count	0
1417	Mono_Isotopic_Weight	412.18858861
31369	Structure_Complexity	54.7
18281	Exact_Mass	406.32943918
13363033	Defined_Bond_Stereo_Count	0
26898	Undefined_Bond_Stereo_Count	0
65238029	Defined_Bond_Stereo_Count	0
23729877	Mono_Isotopic_Weight	371.25727730
12291486	Molecular_Weight	104.15
3536595	Undefined_Bond_Stereo_Count	0
23519852	Non-hydrogen_Atom_Count	24
163050676	Defined_Atom_Stereo_Count	8
148183	Defined_Bond_Stereo_Count	0
65764	Hydrogen_Bond_Donor_Count	0
91820142	Non-hydrogen_Atom_Count	47
65731	Structure_Complexity	405
227274	Exact_Mass	318.09508215
12040512	Molecular_Weight	407.3
11589453	Rotatable_Bond_Count	5
136837	Tautomer_Count	2
75184787	Exact_Mass	412.15691181
23676704	Isotope_Atom_Count	0
16211409	Tautomer_Count	1
6921	Structure_Complexity	132
71512	Mono_Isotopic_Weight	484.00837
5355853	Undefined_Atom_Stereo_Count	0
53993017	Mono_Isotopic_Weight	196.146329876
88578918	Defined_Atom_Stereo_Count	0
10900	Covalent_Unit_Count	1
69027	Non-hydrogen_Atom_Count	8
89338	Isotope_Atom_Count	0
12847949	Hydrogen_Bond_Donor_Count	1
61124202	Molecular_Weight	113.12
11296670	Total_Formal_Charge	0
53880	Covalent_Unit_Count	1
651290	Undefined_Atom_Stereo_Count	0
23994	Structure_Complexity	0
26229	Covalent_Unit_Count	1
6328526	Covalent_Unit_Count	2
91753565	Molecular_Weight	204.35
21187532	Defined_Atom_Stereo_Count	0
12124	Defined_Atom_Stereo_Count	0
24901143	Mono_Isotopic_Weight	483.1383406
57053600	Mono_Isotopic_Weight	87.032028402
133136	Defined_Atom_Stereo_Count	0
65825	Covalent_Unit_Count	1
919	Non-hydrogen_Atom_Count	16
80528	Molecular_Weight	128.56
135027	Hydrogen_Bond_Acceptor_Count	2
441382	Undefined_Atom_Stereo_Count	1
60196262	Rotatable_Bond_Count	29
24006	Defined_Bond_Stereo_Count	0
9883002	XLogP3-AA	3.2
9425	Non-hydrogen_Atom_Count	37
20205172	Exact_Mass	118.099379685
54725318	Hydrogen_Bond_Donor_Count	3
12181	Structure_Complexity	84.1
21330	Covalent_Unit_Count	1
17747637	Rotatable_Bond_Count	2
11697676	Structure_Complexity	609
3040	Isotope_Atom_Count	0
73801102	Undefined_Bond_Stereo_Count	1
140349	Undefined_Atom_Stereo_Count	0
15230353	XLogP3-AA	3.9
8254	Rotatable_Bond_Count	0
102093221	Undefined_Atom_Stereo_Count	0
5274	Hydrogen_Bond_Donor_Count	0
6996	Hydrogen_Bond_Donor_Count	0
11974	Rotatable_Bond_Count	8
36190	Covalent_Unit_Count	1
68396089	Exact_Mass	114.104465066
7153	Rotatable_Bond_Count	3
43389	Rotatable_Bond_Count	2
413536	Undefined_Bond_Stereo_Count	0
23687713	Covalent_Unit_Count	4
77014	Total_Formal_Charge	0
3034023	Total_Formal_Charge	0
160244305	Mono_Isotopic_Weight	1201.84136802
79707	Defined_Bond_Stereo_Count	0
80790	Mono_Isotopic_Weight	164.120115130
7474	TPSA	45.8
180504	Rotatable_Bond_Count	0
14296346	Undefined_Bond_Stereo_Count	0
156616838	Mono_Isotopic_Weight	342.11621151
15535273	Undefined_Atom_Stereo_Count	0
5289006	TPSA	124
594557	Structure_Complexity	280
49858375	Isotope_Atom_Count	0
54344764	Undefined_Atom_Stereo_Count	1
85774373	Covalent_Unit_Count	1
64914374	Mono_Isotopic_Weight	112.088815002
68692	Defined_Bond_Stereo_Count	0
55298920	TPSA	29.1
405908	Hydrogen_Bond_Donor_Count	2
23541	Hydrogen_Bond_Acceptor_Count	4
139060830	Exact_Mass	269.116426730
54688683	Undefined_Atom_Stereo_Count	0
135539077	Covalent_Unit_Count	1
6905	Defined_Bond_Stereo_Count	0
2650	Non-hydrogen_Atom_Count	37
101260859	Isotope_Atom_Count	0
73225	Hydrogen_Bond_Donor_Count	2
545268	TPSA	12.5
18618975	Structure_Complexity	72.5
511	Covalent_Unit_Count	1
4403	Undefined_Bond_Stereo_Count	0
75994	Defined_Atom_Stereo_Count	0
73356082	Covalent_Unit_Count	1
85782230	Total_Formal_Charge	0
70122	Isotope_Atom_Count	0
259381	Hydrogen_Bond_Acceptor_Count	2
44208849	Rotatable_Bond_Count	4
82145	Defined_Atom_Stereo_Count	0
61329	Total_Formal_Charge	0
65700	Undefined_Atom_Stereo_Count	1
20824	Non-hydrogen_Atom_Count	26
123909	Exact_Mass	867.13125424
601577	Hydrogen_Bond_Acceptor_Count	2
88901652	Exact_Mass	113.047678466
686752	Non-hydrogen_Atom_Count	18
3239844	Structure_Complexity	356
143075695	TPSA	38.4
995	Defined_Atom_Stereo_Count	0
6436143	TPSA	571
32484	Defined_Atom_Stereo_Count	0
9914506	Structure_Complexity	730
72200721	Molecular_Weight	522.4
2315	Undefined_Atom_Stereo_Count	1
449369	Hydrogen_Bond_Donor_Count	2
6553	Mono_Isotopic_Weight	199.88363
73670	Non-hydrogen_Atom_Count	20
6343	Exact_Mass	62.01902136
73830	Total_Formal_Charge	0
8594	Molecular_Weight	291.3
11500973	Defined_Atom_Stereo_Count	0
16682930	TPSA	0
9973	Defined_Atom_Stereo_Count	0
69245	Defined_Atom_Stereo_Count	0
12529	Structure_Complexity	52.5
138199	Non-hydrogen_Atom_Count	6
84937	Defined_Bond_Stereo_Count	0
135415564	Tautomer_Count	998
22264	Non-hydrogen_Atom_Count	27
6115	XLogP3	0.9
11189402	Hydrogen_Bond_Donor_Count	1
49867325	Undefined_Atom_Stereo_Count	0
68322085	Molecular_Weight	341.4
10267079	Total_Formal_Charge	0
10475	Structure_Complexity	12.8
21439	Isotope_Atom_Count	0
5365794	Defined_Bond_Stereo_Count	1
11476460	Mono_Isotopic_Weight	450.08529741
135417349	Molecular_Weight	116.12
44421047	Mono_Isotopic_Weight	923.48784986
49937	Defined_Bond_Stereo_Count	0
5360487	Isotope_Atom_Count	0
393800	TPSA	225
66545	TPSA	115
5702654	Rotatable_Bond_Count	7
129210	Defined_Atom_Stereo_Count	0
138393806	Hydrogen_Bond_Donor_Count	7
6432217	Non-hydrogen_Atom_Count	2
3345	Non-hydrogen_Atom_Count	25
13745	Total_Formal_Charge	0
64397633	XLogP3-AA	0.7
5684	Total_Formal_Charge	0
68652936	Hydrogen_Bond_Acceptor_Count	2
65741	Non-hydrogen_Atom_Count	16
162247	Non-hydrogen_Atom_Count	8
145721395	TPSA	205
18952325	XLogP3-AA	0.1
7048611	Covalent_Unit_Count	1
145994598	Undefined_Atom_Stereo_Count	3
73648	Structure_Complexity	565
54511620	Rotatable_Bond_Count	2
23422066	TPSA	60.8
43184	Total_Formal_Charge	0
146646427	Hydrogen_Bond_Donor_Count	3
526	TPSA	365
135402010	Molecular_Weight	459.5
92307	Covalent_Unit_Count	2
71584542	TPSA	89
40467849	Defined_Atom_Stereo_Count	4
137264	Defined_Bond_Stereo_Count	0
68921	Non-hydrogen_Atom_Count	33
153812233	Structure_Complexity	68.5
24868320	Isotope_Atom_Count	0
12867435	Defined_Bond_Stereo_Count	0
124809074	TPSA	272
441724	Tautomer_Count	1
146468	Molecular_Weight	182.22
52940942	TPSA	77.2
13757192	TPSA	21.8
22574	Mono_Isotopic_Weight	232.99940812
65647	Hydrogen_Bond_Acceptor_Count	4
720895	Covalent_Unit_Count	1
3151	Covalent_Unit_Count	1
74346	Covalent_Unit_Count	1
11240433	Mono_Isotopic_Weight	96.068748264
31227	Defined_Atom_Stereo_Count	0
20055423	Defined_Atom_Stereo_Count	8
9916998	Structure_Complexity	1070
15570483	Total_Formal_Charge	0
24794350	Rotatable_Bond_Count	3
94570	Non-hydrogen_Atom_Count	12
662960	Total_Formal_Charge	0
173685	Defined_Bond_Stereo_Count	0
1171	Structure_Complexity	1310
91419167	XLogP3-AA	1.5
6183479	Covalent_Unit_Count	1
135415868	Molecular_Weight	459.5
5281162	Total_Formal_Charge	0
130124970	Defined_Bond_Stereo_Count	0
56665391	XLogP3-AA	4.8
5311360	Undefined_Atom_Stereo_Count	0
39184	Total_Formal_Charge	0
70700401	Non-hydrogen_Atom_Count	20
28837	XLogP3	6.6
16212959	Undefined_Bond_Stereo_Count	0
146156930	Hydrogen_Bond_Donor_Count	2
19693	Total_Formal_Charge	0
89859387	Defined_Bond_Stereo_Count	0
311	Hydrogen_Bond_Donor_Count	4
142262	Defined_Bond_Stereo_Count	0
533884	Mono_Isotopic_Weight	99.104799419
57399428	Molecular_Weight	480.6
16097729	Non-hydrogen_Atom_Count	38
12953697	Defined_Bond_Stereo_Count	0
41191	Defined_Bond_Stereo_Count	0
10909617	Molecular_Weight	134.22
8445	Undefined_Bond_Stereo_Count	0
583941	Non-hydrogen_Atom_Count	16
57939635	Rotatable_Bond_Count	1
3082421	Hydrogen_Bond_Acceptor_Count	1
4764	Undefined_Atom_Stereo_Count	0
21720742	Structure_Complexity	98.7
17747460	Molecular_Weight	641.3
9804302	Hydrogen_Bond_Acceptor_Count	9
92112	Undefined_Atom_Stereo_Count	0
716995	Molecular_Weight	270.33
43295	Tautomer_Count	2
61111	Undefined_Atom_Stereo_Count	2
123922025	Mono_Isotopic_Weight	112.088815002
77286	Covalent_Unit_Count	1
45381907	Structure_Complexity	677
154685136	Defined_Atom_Stereo_Count	0
123673485	Isotope_Atom_Count	0
46877881	Mono_Isotopic_Weight	813.42859314
4155932	Defined_Bond_Stereo_Count	0
69140538	Undefined_Bond_Stereo_Count	0
89094825	Molecular_Weight	112.13
31243	Molecular_Weight	158.65
6433197	Non-hydrogen_Atom_Count	28
6358	Defined_Atom_Stereo_Count	0
3801344	Hydrogen_Bond_Donor_Count	0
13350797	XLogP3-AA	0.1
139244568	Hydrogen_Bond_Donor_Count	1
6514	Tautomer_Count	1
185915	Non-hydrogen_Atom_Count	16
19665	Isotope_Atom_Count	0
13924394	Defined_Atom_Stereo_Count	0
9900	Hydrogen_Bond_Acceptor_Count	5
24945227	Isotope_Atom_Count	0
5791	Undefined_Atom_Stereo_Count	2
7410	Defined_Atom_Stereo_Count	0
14794988	Defined_Bond_Stereo_Count	0
32154	Defined_Bond_Stereo_Count	0
5326960	Isotope_Atom_Count	0
9940690	Tautomer_Count	1
82734	Isotope_Atom_Count	0
18598488	Covalent_Unit_Count	1
2480	TPSA	55.6
2400	Exact_Mass	341.116426730
12275055	Undefined_Bond_Stereo_Count	0
11968014	Isotope_Atom_Count	0
135442966	Rotatable_Bond_Count	9
736188	Isotope_Atom_Count	0
154091255	Undefined_Bond_Stereo_Count	0
48432	Molecular_Weight	304.34
2156	Molecular_Weight	646.3
11349000	Molecular_Weight	362.4
32893	Isotope_Atom_Count	0
67797735	Exact_Mass	339.12527733
7672	Mono_Isotopic_Weight	119.037113783
77603	TPSA	18.5
23679004	Total_Formal_Charge	0
60946	Tautomer_Count	1
9955534	Hydrogen_Bond_Donor_Count	2
71358911	Total_Formal_Charge	0
67535	Rotatable_Bond_Count	1
19651	Isotope_Atom_Count	0
24737670	Rotatable_Bond_Count	5
90817017	Non-hydrogen_Atom_Count	20
6450478	Isotope_Atom_Count	0
4333	Non-hydrogen_Atom_Count	22
360081	Hydrogen_Bond_Donor_Count	2
12630477	Rotatable_Bond_Count	0
69016240	Defined_Bond_Stereo_Count	0
134758781	Hydrogen_Bond_Donor_Count	6
20542	Total_Formal_Charge	0
89613815	XLogP3-AA	0.9
9919001	Structure_Complexity	507
44144517	Undefined_Bond_Stereo_Count	0
102738	Non-hydrogen_Atom_Count	14
59567216	Covalent_Unit_Count	1
154552978	Total_Formal_Charge	0
107	Undefined_Bond_Stereo_Count	0
24824	Structure_Complexity	0
9898440	Covalent_Unit_Count	1
60148432	Isotope_Atom_Count	0
199402	Hydrogen_Bond_Acceptor_Count	18
57403867	Hydrogen_Bond_Donor_Count	3
208916	Non-hydrogen_Atom_Count	14
140768675	Hydrogen_Bond_Donor_Count	2
165646906	Hydrogen_Bond_Acceptor_Count	0
71300746	Exact_Mass	992.35087
3054609	Structure_Complexity	442
21417244	Covalent_Unit_Count	1
4865	Undefined_Atom_Stereo_Count	4
2795887	Molecular_Weight	110.11
13511345	Hydrogen_Bond_Donor_Count	0
140568	Exact_Mass	94.078250319
701651	Mono_Isotopic_Weight	272.09833431
73115	Structure_Complexity	413
91555	Mono_Isotopic_Weight	238.240898965
8395	XLogP3	4.2
5284650	Mono_Isotopic_Weight	196.088815002
650960	Total_Formal_Charge	0
941650	Non-hydrogen_Atom_Count	30
88548120	Undefined_Atom_Stereo_Count	0
88948	Undefined_Atom_Stereo_Count	0
15906386	Undefined_Bond_Stereo_Count	0
892	Total_Formal_Charge	0
6426660	Hydrogen_Bond_Acceptor_Count	4
6896	Defined_Bond_Stereo_Count	0
5232201	XLogP3-AA	0.3
13400858	Structure_Complexity	77.4
118466088	Covalent_Unit_Count	1
520305	Defined_Atom_Stereo_Count	0
25223	TPSA	26
5287468	Exact_Mass	526.18860586
91984	Undefined_Atom_Stereo_Count	0
9446	Covalent_Unit_Count	1
542335	Rotatable_Bond_Count	3
159812	Hydrogen_Bond_Donor_Count	4
21158560	Undefined_Atom_Stereo_Count	0
33113	Undefined_Atom_Stereo_Count	0
22717649	Covalent_Unit_Count	1
11833	Covalent_Unit_Count	1
17846631	Hydrogen_Bond_Donor_Count	2
11188898	Hydrogen_Bond_Acceptor_Count	6
446807	Defined_Bond_Stereo_Count	0
87300	Hydrogen_Bond_Donor_Count	1
9223	Molecular_Weight	118.13
14566517	Rotatable_Bond_Count	0
339213	Exact_Mass	314.15180918
23087721	Molecular_Weight	113.16
46235922	Molecular_Weight	486.6
53346603	Isotope_Atom_Count	0
17980829	Molecular_Weight	199.66
59296085	Total_Formal_Charge	0
4595	Undefined_Bond_Stereo_Count	0
650625	Molecular_Weight	268.24
56613357	Hydrogen_Bond_Donor_Count	0
44577611	Undefined_Bond_Stereo_Count	0
562737	Structure_Complexity	160
84658	Covalent_Unit_Count	1
162715424	Covalent_Unit_Count	1
69351	Structure_Complexity	121
12642447	Hydrogen_Bond_Donor_Count	0
12810	TPSA	26.3
142106	Mono_Isotopic_Weight	98.036779430
564996	TPSA	26.3
9567831	Isotope_Atom_Count	0
66749731	Undefined_Bond_Stereo_Count	0
4484	Hydrogen_Bond_Donor_Count	4
101180753	Covalent_Unit_Count	1
827453	Exact_Mass	324.0083890
42609626	Covalent_Unit_Count	2
6478	XLogP3	5
643798	Hydrogen_Bond_Donor_Count	2
94292	Isotope_Atom_Count	0
10288191	TPSA	88.4
53319739	Total_Formal_Charge	0
45488111	Defined_Atom_Stereo_Count	0
13857	Undefined_Bond_Stereo_Count	0
13367	Exact_Mass	74.01902136
440864	TPSA	57.5
20497487	Non-hydrogen_Atom_Count	7
7152	Exact_Mass	177.06372245
65673	Undefined_Bond_Stereo_Count	0
616573	Non-hydrogen_Atom_Count	18
54753	TPSA	32.3
9969573	Structure_Complexity	606
11749	Rotatable_Bond_Count	1
91030322	Molecular_Weight	1202.6
3086401	Defined_Atom_Stereo_Count	3
37686	Undefined_Bond_Stereo_Count	0
57383474	TPSA	76.3
602261	Rotatable_Bond_Count	5
71645	Rotatable_Bond_Count	3
1753	Defined_Atom_Stereo_Count	0
662	TPSA	107
14510	Undefined_Atom_Stereo_Count	0
146159872	Hydrogen_Bond_Acceptor_Count	17
95182	Non-hydrogen_Atom_Count	33
91488	Tautomer_Count	3
83486	Molecular_Weight	354.89
63958	XLogP3-AA	2.4
16051947	Total_Formal_Charge	0
62705859	Hydrogen_Bond_Acceptor_Count	8
96029	TPSA	71.6
2762834	Defined_Bond_Stereo_Count	0
67677640	Hydrogen_Bond_Donor_Count	1
10154007	Non-hydrogen_Atom_Count	7
11681588	Molecular_Weight	337.4
11455973	Structure_Complexity	839
28692	Undefined_Bond_Stereo_Count	0
7120	Rotatable_Bond_Count	3
87254011	XLogP3-AA	1.9
2752638	Defined_Bond_Stereo_Count	0
24819	Undefined_Bond_Stereo_Count	0
701745	Isotope_Atom_Count	0
184934	Non-hydrogen_Atom_Count	34
6062	Undefined_Bond_Stereo_Count	0
20307234	Undefined_Bond_Stereo_Count	0
12443367	Exact_Mass	82.027946081
32804	Rotatable_Bond_Count	0
3052762	Undefined_Bond_Stereo_Count	0
16129632	Defined_Bond_Stereo_Count	0
18962468	Undefined_Bond_Stereo_Count	0
14923878	TPSA	0
211178	Hydrogen_Bond_Donor_Count	2
214398	Non-hydrogen_Atom_Count	21
20943	XLogP3	2.6
89143818	Covalent_Unit_Count	1
77353	Undefined_Atom_Stereo_Count	0
53316474	Hydrogen_Bond_Acceptor_Count	8
15080	Covalent_Unit_Count	1
1177	Rotatable_Bond_Count	2
13447028	Non-hydrogen_Atom_Count	8
9549168	Hydrogen_Bond_Acceptor_Count	18
22136196	Exact_Mass	114.00654193
3668	Molecular_Weight	510.3
398116	Hydrogen_Bond_Donor_Count	0
130990	Structure_Complexity	1150
1046	Total_Formal_Charge	0
11344362	Isotope_Atom_Count	1
19739476	Non-hydrogen_Atom_Count	7
9901	Isotope_Atom_Count	0
5053	Structure_Complexity	497
24180884	Hydrogen_Bond_Acceptor_Count	4
25006688	XLogP3-AA	4.2
21642823	Undefined_Bond_Stereo_Count	0
65576187	Hydrogen_Bond_Acceptor_Count	2
6672	Isotope_Atom_Count	0
3007744	Undefined_Atom_Stereo_Count	0
41376	Mono_Isotopic_Weight	321.17356494
6919026	Defined_Bond_Stereo_Count	0
11957621	Undefined_Bond_Stereo_Count	0
104735	Total_Formal_Charge	0
883785	TPSA	38.3
23378249	Non-hydrogen_Atom_Count	11
57054	Covalent_Unit_Count	1
26430	Molecular_Weight	344.5
25166913	Covalent_Unit_Count	1
146159249	Mono_Isotopic_Weight	373.22530847
11988	Isotope_Atom_Count	0
64821	Hydrogen_Bond_Acceptor_Count	2
12298	Covalent_Unit_Count	1
46239	Undefined_Bond_Stereo_Count	0
40784491	Non-hydrogen_Atom_Count	11
80622	Non-hydrogen_Atom_Count	7
11234049	Undefined_Atom_Stereo_Count	0
77676	Rotatable_Bond_Count	3
628281	Mono_Isotopic_Weight	310.110613074
400185	Hydrogen_Bond_Acceptor_Count	5
572516	Mono_Isotopic_Weight	108.068748264
14591	Rotatable_Bond_Count	5
71622385	Defined_Atom_Stereo_Count	0
101988841	Non-hydrogen_Atom_Count	1
56840877	Isotope_Atom_Count	0
139026056	Defined_Atom_Stereo_Count	8
551191	Undefined_Atom_Stereo_Count	1
10126019	Defined_Atom_Stereo_Count	0
41867	Hydrogen_Bond_Donor_Count	6
47897	Total_Formal_Charge	0
5284517	Isotope_Atom_Count	0
11416654	Defined_Atom_Stereo_Count	1
11158091	Undefined_Atom_Stereo_Count	0
24958528	Defined_Bond_Stereo_Count	0
58014	Hydrogen_Bond_Acceptor_Count	8
64459	Undefined_Bond_Stereo_Count	0
1261	Undefined_Atom_Stereo_Count	1
281	Molecular_Weight	28.010
72208264	Rotatable_Bond_Count	0
11940	Defined_Bond_Stereo_Count	0
13529	XLogP3	1.7
12866541	Defined_Atom_Stereo_Count	0
135413538	Molecular_Weight	614.4
628202	Undefined_Atom_Stereo_Count	0
5362420	Defined_Bond_Stereo_Count	0
162908	Defined_Bond_Stereo_Count	0
101010	Defined_Atom_Stereo_Count	0
130054486	Defined_Bond_Stereo_Count	0
773938	Covalent_Unit_Count	1
5280389	Undefined_Bond_Stereo_Count	0
7018640	Hydrogen_Bond_Donor_Count	1
73425380	Covalent_Unit_Count	1
20591	Defined_Atom_Stereo_Count	0
138304	Hydrogen_Bond_Acceptor_Count	0
131954786	Molecular_Weight	3357.9
10334	Covalent_Unit_Count	1
71777706	Rotatable_Bond_Count	6
370	Exact_Mass	170.02152329
112042	Defined_Atom_Stereo_Count	0
11137142	TPSA	24.8
23741	Molecular_Weight	240.42
11880	Rotatable_Bond_Count	1
135564773	XLogP3-AA	5.3
54808	Covalent_Unit_Count	1
19962896	TPSA	24.4
5738	Undefined_Bond_Stereo_Count	0
66025	Mono_Isotopic_Weight	151.063328530
9902	Non-hydrogen_Atom_Count	24
19754	Mono_Isotopic_Weight	90.05032149
18539784	Isotope_Atom_Count	0
57401196	Exact_Mass	447.28455468
67528035	Undefined_Atom_Stereo_Count	0
11935	Isotope_Atom_Count	0
68292207	TPSA	36
22544	Isotope_Atom_Count	0
7388	Isotope_Atom_Count	0
69260851	Structure_Complexity	571
13593925	Hydrogen_Bond_Acceptor_Count	0
177863	Molecular_Weight	411.3
9892815	Undefined_Atom_Stereo_Count	0
58186	Isotope_Atom_Count	0
5362485	Hydrogen_Bond_Donor_Count	0
2565	Defined_Atom_Stereo_Count	0
481	Undefined_Atom_Stereo_Count	3
681963	Molecular_Weight	257.33
19161	Mono_Isotopic_Weight	326.16304257
12816253	Molecular_Weight	117.15
46878493	Hydrogen_Bond_Acceptor_Count	4
10449	Mono_Isotopic_Weight	89.027691913
16049769	Structure_Complexity	727
4046	Hydrogen_Bond_Acceptor_Count	9
22836366	Covalent_Unit_Count	1
2779183	Hydrogen_Bond_Acceptor_Count	1
145729	Isotope_Atom_Count	0
146049032	Defined_Bond_Stereo_Count	0
14626857	Rotatable_Bond_Count	9
20563296	Defined_Atom_Stereo_Count	0
54961	Hydrogen_Bond_Donor_Count	0
23724526	Exact_Mass	383.10961
18119	Non-hydrogen_Atom_Count	29
65815658	Rotatable_Bond_Count	2
18744	Covalent_Unit_Count	1
143060	Undefined_Atom_Stereo_Count	0
12395209	TPSA	12.9
135413497	Molecular_Weight	266.09
21867279	Non-hydrogen_Atom_Count	3
25124826	Undefined_Bond_Stereo_Count	0
13847709	Structure_Complexity	147
11405875	Hydrogen_Bond_Acceptor_Count	3
5860	Undefined_Bond_Stereo_Count	0
135433604	Defined_Bond_Stereo_Count	0
129711656	Undefined_Atom_Stereo_Count	0
2764838	Rotatable_Bond_Count	1
143392159	Undefined_Bond_Stereo_Count	0
5288393	Covalent_Unit_Count	1
10975442	TPSA	26.3
77721	XLogP3-AA	1.6
154809859	Exact_Mass	665.30474055
11858	Covalent_Unit_Count	1
41872	Tautomer_Count	1
96251	Defined_Bond_Stereo_Count	0
573744	Hydrogen_Bond_Donor_Count	1
564664	Undefined_Bond_Stereo_Count	0
13874664	Structure_Complexity	93.8
22542	Molecular_Weight	272.23
21859	Tautomer_Count	6
76507	Undefined_Bond_Stereo_Count	0
9826520	Hydrogen_Bond_Donor_Count	0
133635911	Total_Formal_Charge	0
85925	Hydrogen_Bond_Acceptor_Count	0
24748573	Molecular_Weight	349.8
11915	Covalent_Unit_Count	1
75090	Undefined_Atom_Stereo_Count	0
3918	Molecular_Weight	257.37
2733514	Total_Formal_Charge	0
53960	TPSA	33.5
903721	Molecular_Weight	294.13
443953	XLogP3	3.4
6456	Tautomer_Count	1
8388	Mono_Isotopic_Weight	263.92834
403	Covalent_Unit_Count	1
12694695	Isotope_Atom_Count	0
5360134	Rotatable_Bond_Count	2
101120059	Defined_Atom_Stereo_Count	0
97944	Tautomer_Count	1
2783279	Undefined_Atom_Stereo_Count	0
135445969	Exact_Mass	281.11240398
9171	Hydrogen_Bond_Acceptor_Count	0
13177193	Undefined_Bond_Stereo_Count	0
3035235	Mono_Isotopic_Weight	341.18383758
60754	Rotatable_Bond_Count	13
57927	Defined_Atom_Stereo_Count	0
644109	Defined_Atom_Stereo_Count	5
12563	Tautomer_Count	1
11803	Exact_Mass	218.03275668
837924	Hydrogen_Bond_Acceptor_Count	3
123935295	Total_Formal_Charge	0
517957	Undefined_Bond_Stereo_Count	0
15071968	Undefined_Bond_Stereo_Count	0
56682220	Hydrogen_Bond_Acceptor_Count	5
5468	Mono_Isotopic_Weight	260.05071541
118701016	Mono_Isotopic_Weight	1354.567399
83976	Exact_Mass	908.4471039
87892	Rotatable_Bond_Count	16
10975533	Non-hydrogen_Atom_Count	7
79964	Covalent_Unit_Count	1
10789	Total_Formal_Charge	0
6914821	Covalent_Unit_Count	1
21242473	Exact_Mass	97.027611728
2724290	Defined_Bond_Stereo_Count	0
38035	Defined_Atom_Stereo_Count	0
101977	Defined_Atom_Stereo_Count	1
90941377	Molecular_Weight	425.4
56959087	Mono_Isotopic_Weight	651.36186151
9954280	Rotatable_Bond_Count	5
68037	Total_Formal_Charge	0
8859	Undefined_Atom_Stereo_Count	0
705935	Defined_Bond_Stereo_Count	0
73696554	Hydrogen_Bond_Donor_Count	1
46218908	Mono_Isotopic_Weight	580.28969963
89445694	TPSA	17.1
15991574	Hydrogen_Bond_Acceptor_Count	5
118701038	Exact_Mass	363.872766
13795019	TPSA	29.1
6673	Exact_Mass	164.083729621
140066067	Undefined_Bond_Stereo_Count	0
77129	Non-hydrogen_Atom_Count	6
3224	Mono_Isotopic_Weight	403.816881
11543205	Undefined_Atom_Stereo_Count	0
11274968	Structure_Complexity	74.2
3881	Structure_Complexity	445
57820	Hydrogen_Bond_Donor_Count	2
87157524	Structure_Complexity	211
12269	Defined_Bond_Stereo_Count	0
54684589	Undefined_Bond_Stereo_Count	0
10909501	Undefined_Bond_Stereo_Count	0
325	Undefined_Bond_Stereo_Count	0
5311221	Hydrogen_Bond_Donor_Count	3
161929	Total_Formal_Charge	0
44603533	Defined_Atom_Stereo_Count	0
19603047	Molecular_Weight	114.19
72849	Defined_Atom_Stereo_Count	0
70268689	XLogP3-AA	0.2
139341721	Total_Formal_Charge	0
688570	XLogP3-AA	2.3
14057	Undefined_Atom_Stereo_Count	0
57406717	Total_Formal_Charge	0
134505	Exact_Mass	117.02483502
12393928	Total_Formal_Charge	0
1000	Non-hydrogen_Atom_Count	10
129722292	Undefined_Atom_Stereo_Count	1
13027933	Undefined_Bond_Stereo_Count	0
67493918	Exact_Mass	112.03851076
3931172	TPSA	77.3
55288198	Total_Formal_Charge	0
3628	Hydrogen_Bond_Acceptor_Count	10
56463	Total_Formal_Charge	0
5319754	Exact_Mass	98.073164938
11105	Molecular_Weight	288.77
60150204	Undefined_Bond_Stereo_Count	0
54422686	Exact_Mass	103.063328530
439616	Hydrogen_Bond_Donor_Count	2
14505	Non-hydrogen_Atom_Count	8
20141078	Hydrogen_Bond_Acceptor_Count	3
65573725	Isotope_Atom_Count	0
15752	Tautomer_Count	1
19437303	Covalent_Unit_Count	1
2430	Covalent_Unit_Count	1
122404566	Rotatable_Bond_Count	4
92044406	Defined_Atom_Stereo_Count	0
194953	Structure_Complexity	244
131704205	Structure_Complexity	302
10486	Total_Formal_Charge	0
10133975	Non-hydrogen_Atom_Count	28
3055	Mono_Isotopic_Weight	309.209264485
70726	Rotatable_Bond_Count	0
20517177	Defined_Bond_Stereo_Count	0
556380	Mono_Isotopic_Weight	108.057514874
72444506	Undefined_Bond_Stereo_Count	0
5510	Non-hydrogen_Atom_Count	22
46244260	Non-hydrogen_Atom_Count	31
10167713	XLogP3-AA	5
140796896	Exact_Mass	95.037113783
73860515	Non-hydrogen_Atom_Count	7
12252	Mono_Isotopic_Weight	91.026943022
124636142	Total_Formal_Charge	0
82400	Rotatable_Bond_Count	5
6490	Undefined_Bond_Stereo_Count	0
19430196	Undefined_Atom_Stereo_Count	0
11073372	Defined_Atom_Stereo_Count	0
3437285	Non-hydrogen_Atom_Count	14
5483	Covalent_Unit_Count	1
17912	Non-hydrogen_Atom_Count	21
704328	Exact_Mass	340.16093457
101142080	Structure_Complexity	914
5076	Exact_Mass	720.31276100
136496666	Defined_Atom_Stereo_Count	0
72700	Isotope_Atom_Count	0
75931	Undefined_Atom_Stereo_Count	0
58270057	Hydrogen_Bond_Acceptor_Count	2
640194	Covalent_Unit_Count	1
12510709	Rotatable_Bond_Count	4
153311	Defined_Atom_Stereo_Count	3
10920451	Rotatable_Bond_Count	2
130145308	Covalent_Unit_Count	1
4178	Hydrogen_Bond_Acceptor_Count	2
84647663	Defined_Atom_Stereo_Count	0
2244	Molecular_Weight	180.16
74282	TPSA	17.1
69819	Undefined_Bond_Stereo_Count	0
129888394	Hydrogen_Bond_Donor_Count	0
52083990	Isotope_Atom_Count	0
44578616	Isotope_Atom_Count	0
88941292	Undefined_Atom_Stereo_Count	0
240230	Defined_Atom_Stereo_Count	0
549876	TPSA	9.2
31243	Hydrogen_Bond_Acceptor_Count	1
48640	Hydrogen_Bond_Acceptor_Count	2
81530	Defined_Bond_Stereo_Count	0
60196381	Defined_Bond_Stereo_Count	0
10478142	Non-hydrogen_Atom_Count	28
54601151	Total_Formal_Charge	0
46936613	Hydrogen_Bond_Acceptor_Count	5
58044734	Exact_Mass	99.068413911
11089	Total_Formal_Charge	0
3080589	Structure_Complexity	355
66624275	Covalent_Unit_Count	1
20576	Isotope_Atom_Count	0
5106600	Structure_Complexity	103
43146	Exact_Mass	251.131014166
6515	Hydrogen_Bond_Acceptor_Count	3
23681233	Structure_Complexity	544
55480	TPSA	48
34697	Non-hydrogen_Atom_Count	27
133886	Isotope_Atom_Count	0
2345	TPSA	26.3
10427712	Structure_Complexity	483
10820504	Hydrogen_Bond_Donor_Count	1
13838145	Mono_Isotopic_Weight	92.062600255
55285439	Rotatable_Bond_Count	0
76991	Exact_Mass	186.068079557
11488320	Mono_Isotopic_Weight	473.1629955
5326	Total_Formal_Charge	0
66130	Defined_Bond_Stereo_Count	0
35654	Structure_Complexity	472
72073	Rotatable_Bond_Count	0
76500	Structure_Complexity	180
6466	Non-hydrogen_Atom_Count	25
18798586	Covalent_Unit_Count	1
14511497	Covalent_Unit_Count	1
46884664	Defined_Bond_Stereo_Count	0
60992	Covalent_Unit_Count	2
30856	Non-hydrogen_Atom_Count	2
641000	Hydrogen_Bond_Acceptor_Count	2
49087	Undefined_Bond_Stereo_Count	0
12213229	Hydrogen_Bond_Acceptor_Count	4
4204	XLogP3-AA	3.7
53346495	Undefined_Bond_Stereo_Count	0
92461203	Exact_Mass	313.1193192
5084	Isotope_Atom_Count	0
60966	Undefined_Bond_Stereo_Count	0
37840	Hydrogen_Bond_Donor_Count	0
101658	Hydrogen_Bond_Acceptor_Count	6
9912992	Total_Formal_Charge	0
6453431	Rotatable_Bond_Count	2
133640201	TPSA	66.8
825	Molecular_Weight	131.13
419293	Isotope_Atom_Count	0
14761567	Defined_Atom_Stereo_Count	0
78808	Non-hydrogen_Atom_Count	6
65174649	Defined_Bond_Stereo_Count	0
96402	XLogP3	5.2
18542107	Covalent_Unit_Count	1
66982	Exact_Mass	190.1124429
10887840	Covalent_Unit_Count	1
24868270	Rotatable_Bond_Count	4
8090	Mono_Isotopic_Weight	312.302830514
13284111	Defined_Atom_Stereo_Count	0
14584	Non-hydrogen_Atom_Count	16
2090	Tautomer_Count	36
636397	TPSA	204
21401558	Covalent_Unit_Count	1
87110828	Mono_Isotopic_Weight	688.34721450
54484769	TPSA	36
14296	XLogP3	1.3
32503	Undefined_Bond_Stereo_Count	0
147285	Total_Formal_Charge	0
122327	Non-hydrogen_Atom_Count	28
43013	Structure_Complexity	208
11593431	Hydrogen_Bond_Acceptor_Count	2
46882191	Hydrogen_Bond_Donor_Count	1
57483323	Undefined_Atom_Stereo_Count	1
442	Defined_Bond_Stereo_Count	0
68108	Defined_Atom_Stereo_Count	0
68809	Defined_Bond_Stereo_Count	0
65836	Molecular_Weight	324.2
15559311	Covalent_Unit_Count	1
79028	Structure_Complexity	101
101859897	Hydrogen_Bond_Acceptor_Count	9
15368893	Isotope_Atom_Count	0
15208558	Undefined_Bond_Stereo_Count	0
2893	Rotatable_Bond_Count	4
526950	Mono_Isotopic_Weight	110.036779430
55285230	Exact_Mass	109.063997236
12284	Structure_Complexity	125
1266	Defined_Bond_Stereo_Count	0
543879	Tautomer_Count	3
13590	Molecular_Weight	98.15
11062806	Molecular_Weight	168.28
6451464	Covalent_Unit_Count	1
5311454	Undefined_Bond_Stereo_Count	0
68547	Isotope_Atom_Count	0
96381	Exact_Mass	220.146329876
56842327	Isotope_Atom_Count	0
9576647	Molecular_Weight	238.20
5920	Tautomer_Count	4
659024	Hydrogen_Bond_Donor_Count	1
105146	Hydrogen_Bond_Acceptor_Count	0
90942710	Total_Formal_Charge	0
151148	Total_Formal_Charge	0
69334703	Defined_Atom_Stereo_Count	0
8285	Non-hydrogen_Atom_Count	9
11539235	Undefined_Atom_Stereo_Count	1
14028213	Undefined_Atom_Stereo_Count	0
10734	Tautomer_Count	1
53038	Total_Formal_Charge	0
165637859	Molecular_Weight	112.13
135413538	TPSA	124
4735	Covalent_Unit_Count	1
9989226	Non-hydrogen_Atom_Count	5
6438712	XLogP3-AA	3
10441661	Mono_Isotopic_Weight	108.068748264
76285	Non-hydrogen_Atom_Count	16
56949966	Isotope_Atom_Count	0
5311092	Covalent_Unit_Count	1
76883	XLogP3-AA	3
4066093	Undefined_Bond_Stereo_Count	0
14069226	XLogP3-AA	0.1
19516	Covalent_Unit_Count	1
35454	Hydrogen_Bond_Acceptor_Count	2
9794842	Hydrogen_Bond_Acceptor_Count	2
134669	Total_Formal_Charge	0
270	Covalent_Unit_Count	1
44422920	Undefined_Atom_Stereo_Count	0
23160059	Structure_Complexity	327
600215	Isotope_Atom_Count	0
45488116	Covalent_Unit_Count	1
2804997	Undefined_Atom_Stereo_Count	0
21859	Undefined_Bond_Stereo_Count	0
22646212	Undefined_Bond_Stereo_Count	0
53486446	Defined_Bond_Stereo_Count	2
3047855	Structure_Complexity	1450
51634	Tautomer_Count	1
84647642	Defined_Atom_Stereo_Count	0
112711235	Exact_Mass	113.058911855
10219408	Exact_Mass	116.047344113
5311341	Structure_Complexity	788
268370	Isotope_Atom_Count	0
1080	Total_Formal_Charge	0
136013897	Hydrogen_Bond_Acceptor_Count	3
907991	Rotatable_Bond_Count	5
11123	Hydrogen_Bond_Acceptor_Count	1
31423	Structure_Complexity	217
18938175	Non-hydrogen_Atom_Count	8
40467346	XLogP3-AA	5.7
5317	Covalent_Unit_Count	1
82479	Non-hydrogen_Atom_Count	14
9563	Tautomer_Count	6
56052	Defined_Atom_Stereo_Count	0
11179267	Hydrogen_Bond_Acceptor_Count	4
12563346	Hydrogen_Bond_Acceptor_Count	3
86510	Hydrogen_Bond_Donor_Count	0
15881135	Defined_Bond_Stereo_Count	0
895	Undefined_Bond_Stereo_Count	0
86260	Molecular_Weight	376.9
73282	TPSA	141
3038525	Defined_Atom_Stereo_Count	0
60196407	Rotatable_Bond_Count	13
229851	Undefined_Bond_Stereo_Count	1
10654192	TPSA	33.4
4678317	Mono_Isotopic_Weight	83.037113783
56283	Mono_Isotopic_Weight	269.06478508
130121992	Defined_Atom_Stereo_Count	0
10044792	Molecular_Weight	372.4
261166	Undefined_Atom_Stereo_Count	3
15447	Rotatable_Bond_Count	1
54031007	Undefined_Bond_Stereo_Count	0
70801	Molecular_Weight	173.21
3579812	Structure_Complexity	1140
13054977	Exact_Mass	109.063997236
10297	Defined_Bond_Stereo_Count	0
56670170	Rotatable_Bond_Count	5
9958041	Covalent_Unit_Count	2
26130	Non-hydrogen_Atom_Count	10
24228	Exact_Mass	289.07389321
403657	Undefined_Atom_Stereo_Count	0
11508058	Molecular_Weight	322.4
79441	Covalent_Unit_Count	1
9566269	Isotope_Atom_Count	0
5284648	Exact_Mass	270.05282342
23667303	Structure_Complexity	736
60105598	Hydrogen_Bond_Donor_Count	5
72402	Molecular_Weight	363.4
102262612	Structure_Complexity	514
6943688	Covalent_Unit_Count	1
21692	TPSA	56.3
44119936	Isotope_Atom_Count	0
23716436	Defined_Atom_Stereo_Count	0
55286482	Rotatable_Bond_Count	1
10310138	Undefined_Atom_Stereo_Count	1
3958	Molecular_Weight	321.2
14717795	Total_Formal_Charge	0
23103366	Undefined_Bond_Stereo_Count	0
10912274	Non-hydrogen_Atom_Count	14
13512560	Isotope_Atom_Count	0
10975450	TPSA	62.1
4896	TPSA	141
57082085	Isotope_Atom_Count	0
10074640	Tautomer_Count	48
38972	Rotatable_Bond_Count	6
85786508	Undefined_Bond_Stereo_Count	0
319954	Defined_Bond_Stereo_Count	0
17695	Undefined_Bond_Stereo_Count	0
89440	Undefined_Bond_Stereo_Count	0
8401	Defined_Bond_Stereo_Count	0
1516505	Undefined_Atom_Stereo_Count	0
43833377	Rotatable_Bond_Count	0
72014	XLogP3	0.9
77077	Hydrogen_Bond_Acceptor_Count	0
91696	Tautomer_Count	2
11809740	Defined_Bond_Stereo_Count	0
5362689	Molecular_Weight	210.27
9261	Hydrogen_Bond_Acceptor_Count	2
135403804	Structure_Complexity	417
57157895	Undefined_Atom_Stereo_Count	4
4436	Tautomer_Count	2
42602260	Non-hydrogen_Atom_Count	30
888374	Undefined_Bond_Stereo_Count	0
441451	Isotope_Atom_Count	0
443111	Exact_Mass	525.24750046
44562492	TPSA	67
129827453	Undefined_Bond_Stereo_Count	0
73673720	Defined_Bond_Stereo_Count	0
5287792	Isotope_Atom_Count	0
88226977	Undefined_Bond_Stereo_Count	0
9963056	Tautomer_Count	5
58655	Structure_Complexity	212
141395	Mono_Isotopic_Weight	94.078250319
11573395	Undefined_Atom_Stereo_Count	0
5251826	Total_Formal_Charge	0
11598	Total_Formal_Charge	0
481696	Isotope_Atom_Count	0
131632429	Undefined_Atom_Stereo_Count	2
442076	Undefined_Atom_Stereo_Count	1
64423	Structure_Complexity	365
11813918	Total_Formal_Charge	0
80009	TPSA	21.9
44226825	Structure_Complexity	418
163316	Molecular_Weight	187.24
14225651	TPSA	17.1
121877	Tautomer_Count	2
441139	Undefined_Atom_Stereo_Count	1
44565819	Isotope_Atom_Count	0
3651	Total_Formal_Charge	0
53420268	Covalent_Unit_Count	1
16760569	Rotatable_Bond_Count	11
5387838	Defined_Atom_Stereo_Count	0
16418	Rotatable_Bond_Count	3
5384293	Hydrogen_Bond_Acceptor_Count	0
55290897	Rotatable_Bond_Count	1
94885	Non-hydrogen_Atom_Count	13
6436860	Undefined_Atom_Stereo_Count	0
85178	Molecular_Weight	337.6
6262	Structure_Complexity	95
8455	Isotope_Atom_Count	0
1505	Rotatable_Bond_Count	2
117059122	Total_Formal_Charge	0
10497540	Non-hydrogen_Atom_Count	25
79043	Structure_Complexity	146
1082	Exact_Mass	337.09437113
11847	TPSA	20.2
20649100	Mono_Isotopic_Weight	113.058911855
1146	Undefined_Bond_Stereo_Count	0
45528	Mono_Isotopic_Weight	439.09137
72332520	Hydrogen_Bond_Donor_Count	0
52414	Total_Formal_Charge	0
135483998	Rotatable_Bond_Count	9
5282796	Covalent_Unit_Count	1
108835	Exact_Mass	157.07389321
54261087	Defined_Bond_Stereo_Count	0
5371102	Undefined_Bond_Stereo_Count	0
3681700	Non-hydrogen_Atom_Count	21
121207552	Defined_Bond_Stereo_Count	0
44338517	Exact_Mass	462.17419698
154	Exact_Mass	313.06750147
130006807	Isotope_Atom_Count	0
5281894	Mono_Isotopic_Weight	238.062994177
10964334	Defined_Atom_Stereo_Count	30
227927	Undefined_Bond_Stereo_Count	0
1714204	Isotope_Atom_Count	0
14069104	Non-hydrogen_Atom_Count	8
534543	Total_Formal_Charge	0
76590	Mono_Isotopic_Weight	239.82440
59823	Undefined_Atom_Stereo_Count	1
14416477	Defined_Atom_Stereo_Count	0
85610	TPSA	37.5
50990009	Non-hydrogen_Atom_Count	30
76430	Rotatable_Bond_Count	0
10854418	Hydrogen_Bond_Donor_Count	1
20224712	Undefined_Atom_Stereo_Count	0
97725	Total_Formal_Charge	0
7851	Hydrogen_Bond_Acceptor_Count	1
58863	Rotatable_Bond_Count	10
89748954	TPSA	20.2
415628	Hydrogen_Bond_Acceptor_Count	2
73549	Defined_Atom_Stereo_Count	0
19754146	Undefined_Bond_Stereo_Count	0
137537	Defined_Atom_Stereo_Count	0
5997	Mono_Isotopic_Weight	386.354866087
54688	Covalent_Unit_Count	1
77317	Mono_Isotopic_Weight	108.068748264
17429	Exact_Mass	113.084063974
33097	Undefined_Bond_Stereo_Count	0
11358077	Non-hydrogen_Atom_Count	20
155491161	TPSA	68.6
16224	TPSA	3.2
10339178	Isotope_Atom_Count	0
156599239	Rotatable_Bond_Count	6
8168	Isotope_Atom_Count	0
5317112	Structure_Complexity	457
23691974	Non-hydrogen_Atom_Count	13
10257882	XLogP3-AA	5
9948	Mono_Isotopic_Weight	196.088815002
12842600	Rotatable_Bond_Count	2
13371699	Defined_Bond_Stereo_Count	1
715568	TPSA	92.8
55300430	Structure_Complexity	155
3980	Undefined_Atom_Stereo_Count	10
533854	Undefined_Bond_Stereo_Count	0
67520	Defined_Bond_Stereo_Count	0
119185	Total_Formal_Charge	0
168120	Tautomer_Count	3
440175	Rotatable_Bond_Count	3
11434448	Total_Formal_Charge	0
969	Exact_Mass	773.17929631
70111342	Exact_Mass	112.063662883
6979027	TPSA	62.3
16155603	Rotatable_Bond_Count	65
8060	Tautomer_Count	1
148837046	Exact_Mass	113.058911855
5282203	Hydrogen_Bond_Donor_Count	1
12882458	Hydrogen_Bond_Acceptor_Count	1
130390356	Non-hydrogen_Atom_Count	8
101940	Defined_Bond_Stereo_Count	0
85856	Exact_Mass	546.42842495
79036	Mono_Isotopic_Weight	150.104465066
98397	Structure_Complexity	294
10986185	Covalent_Unit_Count	1
39234960	XLogP3-AA	0.7
9793705	Defined_Atom_Stereo_Count	0
69251960	Hydrogen_Bond_Donor_Count	1
633091	Total_Formal_Charge	0
28864	Exact_Mass	338.21066147
9294	Structure_Complexity	121
13220	Molecular_Weight	155.24
14866914	Non-hydrogen_Atom_Count	7
102602330	TPSA	0
14240	Molecular_Weight	171.28
23678	Structure_Complexity	146
5231576	Defined_Atom_Stereo_Count	0
164158597	Non-hydrogen_Atom_Count	8
129674572	Covalent_Unit_Count	1
3843	Defined_Bond_Stereo_Count	0
129849349	Undefined_Atom_Stereo_Count	2
55434	Hydrogen_Bond_Acceptor_Count	4
47676	Isotope_Atom_Count	0
153921	Defined_Atom_Stereo_Count	0
638380	TPSA	23.8
52393	Isotope_Atom_Count	0
14133354	Hydrogen_Bond_Donor_Count	0
59712821	Defined_Atom_Stereo_Count	0
735950	Defined_Atom_Stereo_Count	0
907170	Mono_Isotopic_Weight	289.16779360
125286695	Undefined_Atom_Stereo_Count	0
30530	Rotatable_Bond_Count	3
3727	Hydrogen_Bond_Acceptor_Count	1
9254	Defined_Bond_Stereo_Count	0
5591	Hydrogen_Bond_Donor_Count	2
23539670	Exact_Mass	110.109550447
87237616	Defined_Atom_Stereo_Count	0
902	Undefined_Bond_Stereo_Count	0
71526	Structure_Complexity	304
5343	Non-hydrogen_Atom_Count	19
13487342	Exact_Mass	100.088815002
11969781	TPSA	202
37248	Isotope_Atom_Count	0
9866250	Isotope_Atom_Count	0
21117498	Defined_Atom_Stereo_Count	0
7004913	Hydrogen_Bond_Acceptor_Count	1
70754	Defined_Bond_Stereo_Count	0
8491	Covalent_Unit_Count	1
2649	Isotope_Atom_Count	0
23703979	Defined_Atom_Stereo_Count	0
121231162	Hydrogen_Bond_Donor_Count	5
10606708	Hydrogen_Bond_Donor_Count	2
139348436	Isotope_Atom_Count	0
96268	Hydrogen_Bond_Acceptor_Count	4
35911	Covalent_Unit_Count	1
984445	Defined_Atom_Stereo_Count	1
94220	Hydrogen_Bond_Acceptor_Count	2
6704	Undefined_Bond_Stereo_Count	0
3140	Hydrogen_Bond_Acceptor_Count	6
6602154	Undefined_Atom_Stereo_Count	1
79577298	Isotope_Atom_Count	0
123591	Covalent_Unit_Count	1
67108443	Rotatable_Bond_Count	6
547676	Isotope_Atom_Count	0
8351	Structure_Complexity	229
114853	Covalent_Unit_Count	1
19883274	Total_Formal_Charge	0
53914181	Exact_Mass	94.041864811
4567175	Hydrogen_Bond_Donor_Count	1
6992020	Hydrogen_Bond_Donor_Count	0
134819291	Isotope_Atom_Count	0
46856306	Hydrogen_Bond_Donor_Count	3
85865	Hydrogen_Bond_Donor_Count	1
5991	Undefined_Atom_Stereo_Count	0
6852399	Undefined_Bond_Stereo_Count	0
13574952	Covalent_Unit_Count	1
10326800	Exact_Mass	640.36247064
11367383	Undefined_Atom_Stereo_Count	1
11334	TPSA	20.2
19887667	Exact_Mass	104.094963011
58655	Hydrogen_Bond_Donor_Count	4
3335	Mono_Isotopic_Weight	254.094294304
5462951	Undefined_Atom_Stereo_Count	2
10871	Mono_Isotopic_Weight	169.0294416
49771530	Molecular_Weight	88.06
21635253	Rotatable_Bond_Count	4
76949	Hydrogen_Bond_Acceptor_Count	3
3080714	TPSA	161
15024254	Total_Formal_Charge	0
3950	Rotatable_Bond_Count	3
4369359	Defined_Bond_Stereo_Count	0
24401	Molecular_Weight	118.936
8374	Total_Formal_Charge	0
34815	Structure_Complexity	315
44563177	Undefined_Bond_Stereo_Count	0
12241083	Structure_Complexity	491
429551	Hydrogen_Bond_Acceptor_Count	2
76960246	Defined_Atom_Stereo_Count	9
10127622	Hydrogen_Bond_Acceptor_Count	6
2132	Molecular_Weight	378.10
113606	Total_Formal_Charge	0
6537099	Total_Formal_Charge	0
11504295	Undefined_Bond_Stereo_Count	0
10686	Covalent_Unit_Count	1
62358	Total_Formal_Charge	0
9930	Rotatable_Bond_Count	6
4735	Exact_Mass	340.18992602
7029	Defined_Atom_Stereo_Count	0
69217	TPSA	49.4
16116961	Defined_Atom_Stereo_Count	1
67547	Rotatable_Bond_Count	12
4567175	TPSA	31.4
46830239	Isotope_Atom_Count	0
17326	Tautomer_Count	1
25008593	Isotope_Atom_Count	0
22612	TPSA	38
2157	Molecular_Weight	645.3
9863672	Exact_Mass	323.11037616
4614	Hydrogen_Bond_Donor_Count	1
135903069	TPSA	404
67242031	Exact_Mass	106.027946081
81151	Exact_Mass	89.047678466
46173802	Molecular_Weight	562.4
6439420	Isotope_Atom_Count	0
121207552	TPSA	20.2
87279996	Covalent_Unit_Count	1
16129701	Hydrogen_Bond_Acceptor_Count	34
3299	Undefined_Bond_Stereo_Count	0
11397521	TPSA	131
62875	Tautomer_Count	1
15276695	Mono_Isotopic_Weight	99.068413911
61691030	Hydrogen_Bond_Acceptor_Count	2
81	Rotatable_Bond_Count	8
7228	Molecular_Weight	266.4
409836	Rotatable_Bond_Count	4
16117890	Undefined_Bond_Stereo_Count	0
5280633	Defined_Atom_Stereo_Count	4
158797	Rotatable_Bond_Count	7
43838	Isotope_Atom_Count	0
11226684	Isotope_Atom_Count	0
218089	TPSA	61.2
11180	Hydrogen_Bond_Donor_Count	0
6956357	Isotope_Atom_Count	0
21872496	TPSA	45
65670951	Non-hydrogen_Atom_Count	8
25835	TPSA	0
11396	Defined_Atom_Stereo_Count	0
1177	Hydrogen_Bond_Donor_Count	4
65755	Rotatable_Bond_Count	7
11589318	Defined_Atom_Stereo_Count	0
16049087	Hydrogen_Bond_Acceptor_Count	7
688763	Defined_Bond_Stereo_Count	0
219096	TPSA	23.5
9571044	Hydrogen_Bond_Donor_Count	1
637541	Molecular_Weight	164.16
123400613	Defined_Bond_Stereo_Count	0
45381802	Undefined_Atom_Stereo_Count	0
6604866	Isotope_Atom_Count	0
665387	Hydrogen_Bond_Donor_Count	1
155465	Structure_Complexity	160
21886	Hydrogen_Bond_Acceptor_Count	2
8944	Mono_Isotopic_Weight	352.215078140
6918160	Structure_Complexity	399
16036788	TPSA	107
446308	Isotope_Atom_Count	0
78137849	Total_Formal_Charge	0
11527774	Rotatable_Bond_Count	5
519213	Structure_Complexity	578
17321	Structure_Complexity	220
408536	Structure_Complexity	500
17864302	Undefined_Atom_Stereo_Count	0
92020576	Covalent_Unit_Count	1
49865920	Defined_Bond_Stereo_Count	0
51030896	Defined_Atom_Stereo_Count	1
11373	Rotatable_Bond_Count	0
53241445	Defined_Bond_Stereo_Count	0
61749380	Mono_Isotopic_Weight	112.088815002
135624041	Structure_Complexity	156
9810772	Covalent_Unit_Count	1
44031	Hydrogen_Bond_Donor_Count	1
12479058	Hydrogen_Bond_Donor_Count	0
44563117	Defined_Bond_Stereo_Count	0
8553	Rotatable_Bond_Count	0
27941	Hydrogen_Bond_Acceptor_Count	1
54009	Undefined_Bond_Stereo_Count	0
70690618	XLogP3-AA	3.8
9848869	TPSA	143
101399329	Rotatable_Bond_Count	0
66261	Covalent_Unit_Count	1
93176	Non-hydrogen_Atom_Count	8
2151	Hydrogen_Bond_Donor_Count	1
72207931	Undefined_Atom_Stereo_Count	1
130411460	Defined_Bond_Stereo_Count	1
71568	Rotatable_Bond_Count	0
88953	Exact_Mass	409.23654186
10366136	Undefined_Atom_Stereo_Count	0
53311393	Hydrogen_Bond_Donor_Count	1
685814	Isotope_Atom_Count	0
441278	Exact_Mass	285.209264485
33611	Defined_Bond_Stereo_Count	0
138975	Non-hydrogen_Atom_Count	14
23079882	Hydrogen_Bond_Acceptor_Count	6
21255244	Covalent_Unit_Count	1
17001	Molecular_Weight	280.4
9254	Defined_Atom_Stereo_Count	0
10634	TPSA	40.5
17754089	Defined_Bond_Stereo_Count	0
13462625	Exact_Mass	97.052763847
11062545	Non-hydrogen_Atom_Count	8
59896759	Undefined_Atom_Stereo_Count	0
73189	Undefined_Atom_Stereo_Count	1
5472495	Mono_Isotopic_Weight	372.08315835
153648135	Non-hydrogen_Atom_Count	7
10328	Mono_Isotopic_Weight	119.073499291
11673085	Mono_Isotopic_Weight	231.0581549
14849721	Non-hydrogen_Atom_Count	8
39356	Isotope_Atom_Count	0
54383554	TPSA	0
454937	Undefined_Atom_Stereo_Count	1
45270144	TPSA	98.7
53276	Rotatable_Bond_Count	6
131125742	Hydrogen_Bond_Donor_Count	1
830713	TPSA	63.8
36982	Structure_Complexity	173
2733245	Undefined_Atom_Stereo_Count	0
14283	Non-hydrogen_Atom_Count	9
23706212	Exact_Mass	346.06074044
9827661	Isotope_Atom_Count	0
2998624	Undefined_Atom_Stereo_Count	1
6603828	Non-hydrogen_Atom_Count	26
736312	Defined_Bond_Stereo_Count	0
23187246	Undefined_Bond_Stereo_Count	0
50614	Hydrogen_Bond_Donor_Count	4
3644	Hydrogen_Bond_Donor_Count	2
12309521	Rotatable_Bond_Count	4
66545742	TPSA	58.7
71731823	Undefined_Bond_Stereo_Count	0
24802149	Non-hydrogen_Atom_Count	12
7301	Mono_Isotopic_Weight	86.073164938
15936932	XLogP3-AA	1.4
33196	Hydrogen_Bond_Acceptor_Count	3
3819932	TPSA	51
439587	TPSA	90
22132384	Undefined_Bond_Stereo_Count	0
40478	TPSA	0
15598493	Undefined_Bond_Stereo_Count	0
54583833	Hydrogen_Bond_Acceptor_Count	4
222697	Structure_Complexity	77.7
12957	Structure_Complexity	80.6
11443029	Defined_Atom_Stereo_Count	3
77780	Hydrogen_Bond_Acceptor_Count	6
9548590	Structure_Complexity	600
8022	TPSA	29.4
163722493	Isotope_Atom_Count	0
3080825	Non-hydrogen_Atom_Count	14
91532137	Undefined_Bond_Stereo_Count	0
1550489	Rotatable_Bond_Count	0
12669582	XLogP3-AA	0.7
17882	Covalent_Unit_Count	2
131744	Molecular_Weight	116.16
84834	Exact_Mass	124.01941529
5353495	Hydrogen_Bond_Acceptor_Count	15
46906	Mono_Isotopic_Weight	362.27807232
96424	Undefined_Atom_Stereo_Count	0
90475112	Isotope_Atom_Count	0
22096	Defined_Atom_Stereo_Count	0
46173802	Exact_Mass	562.09649219
67175581	Total_Formal_Charge	0
69356	Tautomer_Count	1
312666	Defined_Bond_Stereo_Count	0
439570	Exact_Mass	150.104465066
56982924	Molecular_Weight	117.10
77881	Isotope_Atom_Count	0
62902	Molecular_Weight	144.21
31515	Undefined_Bond_Stereo_Count	0
8283	Defined_Bond_Stereo_Count	0
53672079	Covalent_Unit_Count	1
51174	Defined_Bond_Stereo_Count	0
694041	Undefined_Bond_Stereo_Count	0
23366185	Total_Formal_Charge	0
88063521	Non-hydrogen_Atom_Count	8
12997	Total_Formal_Charge	0
198822	Exact_Mass	339.0577075
86876	Hydrogen_Bond_Donor_Count	0
3281	Defined_Bond_Stereo_Count	0
76121	Rotatable_Bond_Count	1
10435916	Non-hydrogen_Atom_Count	35
13445118	Undefined_Bond_Stereo_Count	0
146682056	Defined_Atom_Stereo_Count	7
21580808	Total_Formal_Charge	1
10437728	Mono_Isotopic_Weight	557.17737004
19710	Defined_Bond_Stereo_Count	0
34338	Isotope_Atom_Count	0
448258	Structure_Complexity	592
5142	Tautomer_Count	1
25234023	Exact_Mass	892.23497378
12256	Non-hydrogen_Atom_Count	6
91667835	Exact_Mass	413.977668
22162	Undefined_Atom_Stereo_Count	1
54778	Undefined_Atom_Stereo_Count	0
21024469	Isotope_Atom_Count	0
11247	Hydrogen_Bond_Donor_Count	0
7526	Undefined_Bond_Stereo_Count	0
6040	Covalent_Unit_Count	1
13761354	Undefined_Atom_Stereo_Count	1
763244	Hydrogen_Bond_Donor_Count	2
11163584	Undefined_Atom_Stereo_Count	1
15001198	Hydrogen_Bond_Acceptor_Count	0
14050	TPSA	66.8
78255	Total_Formal_Charge	0
10937610	Hydrogen_Bond_Donor_Count	0
55284153	Molecular_Weight	112.13
11861720	Defined_Atom_Stereo_Count	4
12456033	TPSA	0
13192443	Tautomer_Count	1
443605	Undefined_Atom_Stereo_Count	2
67781	Undefined_Bond_Stereo_Count	0
11507658	Covalent_Unit_Count	2
13520	Hydrogen_Bond_Donor_Count	1
94706	Rotatable_Bond_Count	4
869	Hydrogen_Bond_Donor_Count	10
71762	Tautomer_Count	1001
633526	Isotope_Atom_Count	0
15559706	Isotope_Atom_Count	0
72199784	XLogP3-AA	5.6
54746485	Total_Formal_Charge	0
10049	XLogP3	2.7
65464	Structure_Complexity	344
56680336	Isotope_Atom_Count	0
440623	Covalent_Unit_Count	1
9919816	Undefined_Atom_Stereo_Count	0
7017101	Isotope_Atom_Count	0
134692058	Exact_Mass	448.17333247
129539	Hydrogen_Bond_Donor_Count	0
6961	Defined_Bond_Stereo_Count	0
68976065	Defined_Bond_Stereo_Count	0
11593706	Rotatable_Bond_Count	2
163668741	Structure_Complexity	109
81927	Rotatable_Bond_Count	9
9960	Hydrogen_Bond_Donor_Count	1
23528316	Structure_Complexity	77.7
67805120	Exact_Mass	96.093900383
67615000	Isotope_Atom_Count	0
54680085	Defined_Bond_Stereo_Count	0
9923162	Defined_Bond_Stereo_Count	0
58657603	XLogP3-AA	3.9
64502	Molecular_Weight	216.32
164739	Rotatable_Bond_Count	2
6328	Tautomer_Count	1
94097	Isotope_Atom_Count	0
165571	Undefined_Atom_Stereo_Count	0
5899	Structure_Complexity	268
30999	TPSA	41.8
19793985	Exact_Mass	255.05315777
12560	Hydrogen_Bond_Donor_Count	5
12309518	Undefined_Bond_Stereo_Count	0
8372	Structure_Complexity	480
135473834	Hydrogen_Bond_Acceptor_Count	10
84715999	Structure_Complexity	105
97868	Isotope_Atom_Count	0
65976253	TPSA	49.3
724045	Isotope_Atom_Count	0
73604	Tautomer_Count	1
17045	Defined_Atom_Stereo_Count	0
21545139	Defined_Atom_Stereo_Count	0
68546	Total_Formal_Charge	0
3935589	Mono_Isotopic_Weight	375.06535677
42993	Covalent_Unit_Count	1
657141	Undefined_Atom_Stereo_Count	0
69448	Rotatable_Bond_Count	2
19370943	Non-hydrogen_Atom_Count	8
6917868	Mono_Isotopic_Weight	389.18720888
37137	Isotope_Atom_Count	0
49	TPSA	54.4
136307	Defined_Bond_Stereo_Count	0
5365909	Mono_Isotopic_Weight	114.068079557
8648	TPSA	32.3
317053	Hydrogen_Bond_Acceptor_Count	2
85915222	Undefined_Atom_Stereo_Count	0
231084	Molecular_Weight	386.6
21058	Structure_Complexity	273
44392131	Undefined_Atom_Stereo_Count	0
7546	Exact_Mass	185.084063974
62802	TPSA	52.6
9571062	TPSA	132
8215	Rotatable_Bond_Count	20
118987209	TPSA	57.2
53396306	Defined_Bond_Stereo_Count	0
1791111	Defined_Bond_Stereo_Count	0
164550	Mono_Isotopic_Weight	129.99022316
3034351	Total_Formal_Charge	0
12599701	Undefined_Bond_Stereo_Count	0
33478	Rotatable_Bond_Count	9
3650	Structure_Complexity	183
90935301	Total_Formal_Charge	0
12609619	Undefined_Atom_Stereo_Count	0
85364152	XLogP3-AA	4.3
53476	Molecular_Weight	251.06
44401271	Covalent_Unit_Count	1
15758	Hydrogen_Bond_Acceptor_Count	2
15257142	Mono_Isotopic_Weight	97.063997236
4097	Total_Formal_Charge	1
5460853	Undefined_Atom_Stereo_Count	0
20015	XLogP3-AA	4.6
8678	Defined_Bond_Stereo_Count	0
688451	Isotope_Atom_Count	0
12535	Defined_Atom_Stereo_Count	0
67979346	Total_Formal_Charge	0
317542	Non-hydrogen_Atom_Count	8
49057	XLogP3-AA	3.8
42254	Isotope_Atom_Count	0
11093	Structure_Complexity	80.6
53237112	Molecular_Weight	404.5
17462	Rotatable_Bond_Count	6
98177686	Mono_Isotopic_Weight	284.16237386
54714462	Defined_Atom_Stereo_Count	5
25137854	Hydrogen_Bond_Acceptor_Count	4
138971591	Undefined_Atom_Stereo_Count	1
65944	Molecular_Weight	244.27
72665	Molecular_Weight	424.4
23381756	XLogP3-AA	0.7
58638	Non-hydrogen_Atom_Count	20
5245480	Undefined_Bond_Stereo_Count	0
140273	Molecular_Weight	113.16
77922	TPSA	52.3
643732	Structure_Complexity	494
39424	Undefined_Bond_Stereo_Count	0
5311507	Isotope_Atom_Count	0
20759	Defined_Atom_Stereo_Count	2
54911	Exact_Mass	505.2011307
11397	Non-hydrogen_Atom_Count	12
4841	Molecular_Weight	368.5
130	Total_Formal_Charge	0
32429	Total_Formal_Charge	0
25008593	Mono_Isotopic_Weight	475.22195442
44573579	TPSA	57.2
71695437	Non-hydrogen_Atom_Count	6
5281025	Molecular_Weight	883.1
72301	Structure_Complexity	475
59904988	Hydrogen_Bond_Acceptor_Count	11
8885	Tautomer_Count	1
82468	Tautomer_Count	3
23283113	Covalent_Unit_Count	1
3086671	Covalent_Unit_Count	1
67704	Non-hydrogen_Atom_Count	7
71296095	Undefined_Bond_Stereo_Count	0
4614	Covalent_Unit_Count	1
71758314	Covalent_Unit_Count	1
10131269	Total_Formal_Charge	0
4389	Rotatable_Bond_Count	4
15673	Covalent_Unit_Count	1
23080859	Non-hydrogen_Atom_Count	8
25078015	Exact_Mass	1535.68521428
20307232	TPSA	37.7
10346870	Molecular_Weight	529.5
123676075	Isotope_Atom_Count	0
6891	Defined_Bond_Stereo_Count	0
63896	Defined_Bond_Stereo_Count	0
3085023	Tautomer_Count	2
1652	Defined_Atom_Stereo_Count	0
816864	Defined_Atom_Stereo_Count	1
234610	TPSA	67.6
51416813	Molecular_Weight	369.4
107759	Undefined_Atom_Stereo_Count	0
11520	Non-hydrogen_Atom_Count	8
54480591	Defined_Atom_Stereo_Count	0
611967	Isotope_Atom_Count	0
5289295	Isotope_Atom_Count	0
9991	Tautomer_Count	8
71815	Rotatable_Bond_Count	2
11954350	Defined_Atom_Stereo_Count	1
2737289	Isotope_Atom_Count	0
67432369	Non-hydrogen_Atom_Count	7
146678829	TPSA	0
70977832	Non-hydrogen_Atom_Count	8
72304	Hydrogen_Bond_Acceptor_Count	2
46883307	Undefined_Bond_Stereo_Count	0
14245	TPSA	0
443879	Structure_Complexity	340
447256	Hydrogen_Bond_Donor_Count	1
123217479	Rotatable_Bond_Count	2
17778639	Defined_Atom_Stereo_Count	0
10658	Non-hydrogen_Atom_Count	14
131204	Hydrogen_Bond_Donor_Count	4
656917	Exact_Mass	294.15009510
24826799	Molecular_Weight	532.6
118161592	Molecular_Weight	110.15
107926	Undefined_Bond_Stereo_Count	0
16204530	Hydrogen_Bond_Acceptor_Count	7
88548120	Hydrogen_Bond_Acceptor_Count	3
100641	Hydrogen_Bond_Acceptor_Count	6
12561666	Molecular_Weight	98.14
58795738	Hydrogen_Bond_Donor_Count	1
441384	Defined_Bond_Stereo_Count	0
57519510	Exact_Mass	490.22295748
8961	Tautomer_Count	6
5514	Total_Formal_Charge	0
5460094	Undefined_Atom_Stereo_Count	1
439215	Undefined_Atom_Stereo_Count	1
656902	Exact_Mass	317.05692299
398637	Isotope_Atom_Count	0
23680156	Total_Formal_Charge	0
2734225	Tautomer_Count	1
470375	Mono_Isotopic_Weight	428.00886708
43795	Hydrogen_Bond_Donor_Count	0
118346510	Molecular_Weight	111.14
9875516	Defined_Bond_Stereo_Count	0
103564347	Undefined_Bond_Stereo_Count	0
15174590	Molecular_Weight	112.17
55710	Exact_Mass	150.05416083
129307545	Mono_Isotopic_Weight	423.37298248
60203	Defined_Atom_Stereo_Count	0
25563891	Hydrogen_Bond_Acceptor_Count	2
49659	Structure_Complexity	441
161094261	TPSA	0
2724290	Hydrogen_Bond_Donor_Count	2
12452021	Defined_Atom_Stereo_Count	0
56339	Non-hydrogen_Atom_Count	25
8986	Tautomer_Count	1
57266564	Isotope_Atom_Count	0
25271892	Covalent_Unit_Count	1
79316	Total_Formal_Charge	0
40771	Defined_Bond_Stereo_Count	0
13331	Defined_Bond_Stereo_Count	0
86277930	Structure_Complexity	1430
300385	Undefined_Atom_Stereo_Count	0
135391144	Covalent_Unit_Count	1
7047	Covalent_Unit_Count	1
5282340	Undefined_Atom_Stereo_Count	0
356101	Mono_Isotopic_Weight	113.058911855
367985	XLogP3-AA	2.9
14112079	Exact_Mass	101.047678466
6433513	Covalent_Unit_Count	3
59059038	Hydrogen_Bond_Donor_Count	0
66704605	Defined_Bond_Stereo_Count	0
1549103	Structure_Complexity	156
37865	Total_Formal_Charge	0
102306506	Defined_Bond_Stereo_Count	1
60877	Hydrogen_Bond_Acceptor_Count	5
72999858	Non-hydrogen_Atom_Count	33
44559553	Total_Formal_Charge	0
21852	Tautomer_Count	1
84421	Covalent_Unit_Count	1
197344	Defined_Atom_Stereo_Count	0
140639440	Molecular_Weight	357.3
123133923	TPSA	70.1
11626560	Defined_Atom_Stereo_Count	1
131632347	Covalent_Unit_Count	1
130845868	Total_Formal_Charge	0
65938	TPSA	229
91980486	Defined_Bond_Stereo_Count	0
6916	Undefined_Bond_Stereo_Count	0
582898	Structure_Complexity	115
10811	Defined_Atom_Stereo_Count	0
11587584	TPSA	71.6
11620576	Hydrogen_Bond_Donor_Count	3
219990	Structure_Complexity	212
123191142	Defined_Bond_Stereo_Count	0
61237	Total_Formal_Charge	0
447377	Mono_Isotopic_Weight	449.07873832
9551399	Exact_Mass	339.16952493
5283305	Rotatable_Bond_Count	13
6713	Molecular_Weight	288.28
46203139	Molecular_Weight	514.4
114935	Molecular_Weight	654.7
136729	Hydrogen_Bond_Donor_Count	0
2734167	Defined_Bond_Stereo_Count	0
12303	Rotatable_Bond_Count	2
71458868	XLogP3-AA	5.2
24868270	Undefined_Atom_Stereo_Count	0
66577116	Molecular_Weight	1040.2
2969	Exact_Mass	172.146329876
439255	Total_Formal_Charge	0
38286	Tautomer_Count	2
11501341	Non-hydrogen_Atom_Count	26
380929	Hydrogen_Bond_Donor_Count	4
2794833	Hydrogen_Bond_Acceptor_Count	2
2746	Covalent_Unit_Count	1
2811	TPSA	60.9
99564	TPSA	25.2
4231972	Molecular_Weight	110.11
12562	Structure_Complexity	274
78035	Mono_Isotopic_Weight	83.048347172
3364477	Mono_Isotopic_Weight	112.063662883
5257090	Undefined_Bond_Stereo_Count	0
12406	Mono_Isotopic_Weight	352.406901659
60155097	Exact_Mass	448.17804118
6419884	Non-hydrogen_Atom_Count	28
60196274	Isotope_Atom_Count	0
6914605	Total_Formal_Charge	0
442070	Isotope_Atom_Count	0
90390	Defined_Atom_Stereo_Count	0
15633846	Covalent_Unit_Count	1
28264	Rotatable_Bond_Count	4
134694664	Structure_Complexity	688
3328	Rotatable_Bond_Count	10
6794	Covalent_Unit_Count	3
24202578	Tautomer_Count	479
10313118	Defined_Bond_Stereo_Count	0
12463	Rotatable_Bond_Count	0
3083659	Isotope_Atom_Count	0
10255246	Rotatable_Bond_Count	11
54691418	Exact_Mass	216.06338810
3652	Mono_Isotopic_Weight	335.1764402
53965310	Undefined_Bond_Stereo_Count	0
134587348	Undefined_Atom_Stereo_Count	0
59167199	Total_Formal_Charge	0
7612	Structure_Complexity	58.1
4340561	Covalent_Unit_Count	1
85889	Tautomer_Count	1
4679699	Non-hydrogen_Atom_Count	12
53403603	Defined_Bond_Stereo_Count	0
71496458	Isotope_Atom_Count	0
36246	Undefined_Bond_Stereo_Count	0
19727	Isotope_Atom_Count	0
20984	XLogP3-AA	0.4
528604	Isotope_Atom_Count	0
66949337	Structure_Complexity	122
129913833	Rotatable_Bond_Count	1
104977	Total_Formal_Charge	0
11181836	Isotope_Atom_Count	0
1123	Structure_Complexity	120
53481477	Defined_Atom_Stereo_Count	2
38771	TPSA	50.6
84787	TPSA	52.6
10333641	Exact_Mass	275.93957
92968	TPSA	113
24482	Defined_Atom_Stereo_Count	0
12868192	XLogP3-AA	0.9
86076207	Mono_Isotopic_Weight	255.04913502
5377410	Rotatable_Bond_Count	4
38911	Undefined_Atom_Stereo_Count	0
7979	Defined_Atom_Stereo_Count	0
51987	Exact_Mass	274.98071
95864	Defined_Atom_Stereo_Count	0
183789	Total_Formal_Charge	0
9803788	Undefined_Bond_Stereo_Count	0
13019068	Mono_Isotopic_Weight	416.32904526
4395139	Hydrogen_Bond_Donor_Count	0
395	Defined_Bond_Stereo_Count	0
85238	TPSA	24.1
1549	Exact_Mass	540.9567742
66141	Rotatable_Bond_Count	1
175854	Hydrogen_Bond_Acceptor_Count	2
20674252	Non-hydrogen_Atom_Count	7
34844	Hydrogen_Bond_Acceptor_Count	6
49784945	Molecular_Weight	377.4
7593	TPSA	17.1
55851	Hydrogen_Bond_Acceptor_Count	2
11159354	Structure_Complexity	134
20519788	Defined_Bond_Stereo_Count	0
21387	Exact_Mass	218.073164938
44392103	Structure_Complexity	651
3966	TPSA	6.5
8840	Hydrogen_Bond_Acceptor_Count	3
127832	Rotatable_Bond_Count	1
9794218	Undefined_Bond_Stereo_Count	0
12241083	Non-hydrogen_Atom_Count	22
60150330	Exact_Mass	115.063328530
8559	XLogP3	4
8433	TPSA	34.1
25271887	Isotope_Atom_Count	0
13220194	Structure_Complexity	238
63045	XLogP3	2.6
6343	Rotatable_Bond_Count	0
8823	Molecular_Weight	122.21
962001	Rotatable_Bond_Count	4
23000709	Mono_Isotopic_Weight	99.043261792
6364626	Undefined_Atom_Stereo_Count	0
15324722	Molecular_Weight	126.07
89273	Total_Formal_Charge	0
92965	Non-hydrogen_Atom_Count	19
69049742	Undefined_Atom_Stereo_Count	2
10632854	Exact_Mass	223.063328530
72153	Structure_Complexity	208
148931547	Exact_Mass	1201.84136802
53232451	Molecular_Weight	355.3
75854	Structure_Complexity	51.9
49871818	Structure_Complexity	706
117274708	Exact_Mass	111.032028402
72049	Structure_Complexity	621
10248	Total_Formal_Charge	0
9884439	Undefined_Bond_Stereo_Count	0
57130072	Hydrogen_Bond_Donor_Count	0
84647662	TPSA	69.1
883785	Isotope_Atom_Count	0
5216	Total_Formal_Charge	0
9049	Hydrogen_Bond_Acceptor_Count	1
10176241	Defined_Bond_Stereo_Count	0
68571679	Isotope_Atom_Count	0
3744	Defined_Atom_Stereo_Count	0
270901	Covalent_Unit_Count	1
12194	Covalent_Unit_Count	1
12590456	TPSA	29.1
11815299	Exact_Mass	104.094963011
2733	Defined_Atom_Stereo_Count	0
5463858	Exact_Mass	303.14705815
9963056	Exact_Mass	954.42962397
9101	Undefined_Atom_Stereo_Count	2
21075	Total_Formal_Charge	0
70695343	Defined_Atom_Stereo_Count	0
89405665	Mono_Isotopic_Weight	102.079312947
11488729	Hydrogen_Bond_Donor_Count	0
834519	Covalent_Unit_Count	1
1548	Isotope_Atom_Count	0
45085000	Hydrogen_Bond_Donor_Count	1
12167465	Mono_Isotopic_Weight	182.98693043
10755924	Structure_Complexity	447
11230	Tautomer_Count	1
6505	Total_Formal_Charge	0
135242	Non-hydrogen_Atom_Count	17
123481111	Covalent_Unit_Count	1
57082	Hydrogen_Bond_Acceptor_Count	4
22673292	Total_Formal_Charge	0
12984095	Rotatable_Bond_Count	1
246724	TPSA	18.5
23545756	Defined_Bond_Stereo_Count	0
17833	Total_Formal_Charge	0
86187	Defined_Bond_Stereo_Count	0
14028582	Undefined_Bond_Stereo_Count	0
71713948	Hydrogen_Bond_Donor_Count	2
91664	Molecular_Weight	301.13
45138674	Defined_Atom_Stereo_Count	1
12698	Defined_Atom_Stereo_Count	0
16854	Non-hydrogen_Atom_Count	12
4611851	Undefined_Atom_Stereo_Count	1
123347340	Covalent_Unit_Count	1
68539	Isotope_Atom_Count	0
75982	Undefined_Bond_Stereo_Count	0
13702293	XLogP3-AA	0.2
104954	Hydrogen_Bond_Acceptor_Count	4
12262	Defined_Bond_Stereo_Count	0
135412609	Undefined_Atom_Stereo_Count	1
89000581	Mono_Isotopic_Weight	180.06338810
163304497	Mono_Isotopic_Weight	852.15113847
153270	XLogP3-AA	0.9
5288703	Non-hydrogen_Atom_Count	25
592645	Covalent_Unit_Count	1
131843960	Molecular_Weight	461.8
75779	Molecular_Weight	452.8
17605	Total_Formal_Charge	0
10892838	Hydrogen_Bond_Acceptor_Count	2
220820	Defined_Atom_Stereo_Count	0
31481	Hydrogen_Bond_Donor_Count	1
77274	Isotope_Atom_Count	0
11553183	Total_Formal_Charge	0
22401764	Isotope_Atom_Count	0
17244514	Structure_Complexity	57.7
129673373	Undefined_Bond_Stereo_Count	0
135436538	Defined_Bond_Stereo_Count	0
1155	TPSA	58.9
73619	Rotatable_Bond_Count	3
3573	Defined_Atom_Stereo_Count	0
129709955	Defined_Atom_Stereo_Count	0
638552	Isotope_Atom_Count	0
439811	Covalent_Unit_Count	1
21717212	Rotatable_Bond_Count	6
10240766	Isotope_Atom_Count	0
14459508	Total_Formal_Charge	0
54886	Hydrogen_Bond_Acceptor_Count	7
16134956	Undefined_Atom_Stereo_Count	0
85924947	Structure_Complexity	442
132252	Molecular_Weight	384.2
70257	Structure_Complexity	44
12182220	Structure_Complexity	45.5
10716132	Undefined_Atom_Stereo_Count	0
82326	Covalent_Unit_Count	2
10155136	XLogP3-AA	3.6
154437	Defined_Atom_Stereo_Count	0
75320	Defined_Bond_Stereo_Count	0
3901	Undefined_Bond_Stereo_Count	6
343119	Isotope_Atom_Count	0
135738851	TPSA	231
184644	Undefined_Atom_Stereo_Count	0
8816	Mono_Isotopic_Weight	383.21876
31954	Undefined_Bond_Stereo_Count	0
122173791	Total_Formal_Charge	1
439196	TPSA	42.5
23681451	Undefined_Bond_Stereo_Count	0
86100	Defined_Bond_Stereo_Count	0
118208260	Rotatable_Bond_Count	2
73181638	Total_Formal_Charge	0
87315833	Structure_Complexity	31
6420074	Covalent_Unit_Count	1
24987	Hydrogen_Bond_Donor_Count	0
57751145	Molecular_Weight	99.09
2529	Covalent_Unit_Count	3
373735	Structure_Complexity	63.5
13661819	Total_Formal_Charge	0
1110	Undefined_Atom_Stereo_Count	0
5735	Covalent_Unit_Count	1
66204	Defined_Bond_Stereo_Count	0
3117	Mono_Isotopic_Weight	296.05093334
54303	Total_Formal_Charge	0
13101	Undefined_Bond_Stereo_Count	0
6441265	Covalent_Unit_Count	1
9220	Rotatable_Bond_Count	0
4726	Hydrogen_Bond_Donor_Count	3
10773225	Covalent_Unit_Count	1
16051947	Non-hydrogen_Atom_Count	56
4011971	Hydrogen_Bond_Acceptor_Count	6
46931005	Undefined_Atom_Stereo_Count	0
154354742	Rotatable_Bond_Count	3
11400746	Isotope_Atom_Count	0
45358158	Non-hydrogen_Atom_Count	60
138041	Non-hydrogen_Atom_Count	2
67076419	Non-hydrogen_Atom_Count	44
92093	Defined_Bond_Stereo_Count	0
14900	Exact_Mass	330.27700969
53687318	Total_Formal_Charge	0
228131	Exact_Mass	162.079312947
19918	XLogP3-AA	2.3
12123876	TPSA	0
19095	Molecular_Weight	494.5
21987711	Exact_Mass	113.084063974
137319701	Defined_Bond_Stereo_Count	1
139190714	Mono_Isotopic_Weight	156.04225873
6175	Isotope_Atom_Count	0
53384896	Undefined_Atom_Stereo_Count	13
64502	Undefined_Atom_Stereo_Count	0
4017	Undefined_Bond_Stereo_Count	0
130113566	Hydrogen_Bond_Donor_Count	0
46783786	TPSA	202
93321	Total_Formal_Charge	0
145971	Defined_Atom_Stereo_Count	0
5089	Structure_Complexity	644
20745	Hydrogen_Bond_Acceptor_Count	1
80821	Undefined_Atom_Stereo_Count	0
11566378	Hydrogen_Bond_Donor_Count	2
133109195	Covalent_Unit_Count	1
30668	Structure_Complexity	263
11979956	Isotope_Atom_Count	0
24194514	Defined_Atom_Stereo_Count	0
14475	Hydrogen_Bond_Acceptor_Count	2
23657874	Defined_Atom_Stereo_Count	0
10378	Exact_Mass	165.042593085
68099559	TPSA	24.4
1203	Hydrogen_Bond_Acceptor_Count	6
4272	Rotatable_Bond_Count	6
25244520	Non-hydrogen_Atom_Count	10
421	Tautomer_Count	1
22910010	Undefined_Bond_Stereo_Count	0
11094960	Structure_Complexity	121
21895383	Defined_Bond_Stereo_Count	0
15647441	Non-hydrogen_Atom_Count	8
116225458	TPSA	12.5
5984	Isotope_Atom_Count	0
50108	Structure_Complexity	1040
57417071	Isotope_Atom_Count	0
10314049	TPSA	111
7594067	Covalent_Unit_Count	1
39484	Undefined_Atom_Stereo_Count	0
219020	Hydrogen_Bond_Acceptor_Count	3
4343	Covalent_Unit_Count	1
50988819	Hydrogen_Bond_Donor_Count	0
31215	Exact_Mass	166.07588133
102213	Defined_Bond_Stereo_Count	0
17860	Undefined_Atom_Stereo_Count	0
11317	Undefined_Bond_Stereo_Count	0
2771	Structure_Complexity	466
18506387	Defined_Bond_Stereo_Count	0
9865515	XLogP3-AA	2.8
11355464	Structure_Complexity	98.7
4816	Defined_Bond_Stereo_Count	0
6996	Molecular_Weight	140.56
478951	TPSA	195
12358373	Non-hydrogen_Atom_Count	23
146935695	Defined_Bond_Stereo_Count	0
12976	Hydrogen_Bond_Acceptor_Count	3
74448	Covalent_Unit_Count	1
5459830	Rotatable_Bond_Count	3
67519	Mono_Isotopic_Weight	70.027946081
56841556	Undefined_Atom_Stereo_Count	0
149519	Total_Formal_Charge	0
73934	Mono_Isotopic_Weight	115.02335542
21040078	Covalent_Unit_Count	1
11827	Hydrogen_Bond_Donor_Count	1
11136668	Covalent_Unit_Count	1
9839243	Tautomer_Count	80
132472265	Covalent_Unit_Count	1
10219163	Mono_Isotopic_Weight	860.9426779
11644097	Defined_Bond_Stereo_Count	0
58501	Exact_Mass	378.173213330
44629454	Undefined_Atom_Stereo_Count	0
21545139	XLogP3-AA	0
46229348	Rotatable_Bond_Count	2
3980	Defined_Bond_Stereo_Count	0
5015763	Undefined_Bond_Stereo_Count	0
5379	Non-hydrogen_Atom_Count	27
6426742	Covalent_Unit_Count	1
92866	Molecular_Weight	202.33
15957687	Defined_Bond_Stereo_Count	0
1662	Covalent_Unit_Count	1
131460	Undefined_Bond_Stereo_Count	0
451188	Isotope_Atom_Count	1
21324831	XLogP3-AA	1.1
11040684	Hydrogen_Bond_Acceptor_Count	3
71718453	Undefined_Bond_Stereo_Count	0
5281951	Undefined_Atom_Stereo_Count	0
32423	TPSA	73.2
3081304	Defined_Bond_Stereo_Count	0
6432095	Hydrogen_Bond_Donor_Count	0
24182914	Undefined_Atom_Stereo_Count	0
534094	Undefined_Bond_Stereo_Count	0
9090	TPSA	50.6
346926	Defined_Bond_Stereo_Count	0
628889	Structure_Complexity	415
15981894	Isotope_Atom_Count	0
51030987	Structure_Complexity	647
101587427	Defined_Atom_Stereo_Count	0
3033151	Rotatable_Bond_Count	6
129318280	Isotope_Atom_Count	0
17848742	Hydrogen_Bond_Donor_Count	1
398646	Exact_Mass	226.21574685
279819	Hydrogen_Bond_Donor_Count	5
4377	Non-hydrogen_Atom_Count	7
5488036	Exact_Mass	799.21820490
71462510	Non-hydrogen_Atom_Count	28
71827	Exact_Mass	242.105527694
3613700	Molecular_Weight	204.05
32326	Total_Formal_Charge	0
62143	Non-hydrogen_Atom_Count	11
78174	Covalent_Unit_Count	1
409350	Defined_Atom_Stereo_Count	0
773938	Defined_Atom_Stereo_Count	1
17159	Tautomer_Count	1
145458139	Defined_Bond_Stereo_Count	0
121892	Exact_Mass	303.13830499
6436158	Structure_Complexity	1360
2816486	Hydrogen_Bond_Acceptor_Count	4
17895808	XLogP3-AA	0.3
25066467	Undefined_Bond_Stereo_Count	0
20378083	Structure_Complexity	98.6
467	Undefined_Atom_Stereo_Count	3
9957217	XLogP3-AA	4.4
61098	TPSA	26.3
538837	Structure_Complexity	588
363475	Molecular_Weight	230.22
5351447	Rotatable_Bond_Count	5
40100	TPSA	144
5280451	Isotope_Atom_Count	0
31068	TPSA	46.6
69674601	Hydrogen_Bond_Donor_Count	1
398661	Exact_Mass	291.18344366
73658	Exact_Mass	811.47314329
916113	Defined_Atom_Stereo_Count	0
9093	Non-hydrogen_Atom_Count	10
24699	Defined_Atom_Stereo_Count	0
11	Isotope_Atom_Count	0
87490405	Non-hydrogen_Atom_Count	8
10820493	Covalent_Unit_Count	1
50990560	Hydrogen_Bond_Donor_Count	4
24785538	TPSA	116
69161653	Mono_Isotopic_Weight	111.068413911
534552	Total_Formal_Charge	0
520660	Undefined_Bond_Stereo_Count	0
541384	Defined_Bond_Stereo_Count	0
1549789	Non-hydrogen_Atom_Count	18
5747670	XLogP3-AA	1.2
582708	Exact_Mass	356.08644947
15156556	Undefined_Atom_Stereo_Count	0
322272	Molecular_Weight	124.16
20351642	Non-hydrogen_Atom_Count	19
15204529	Undefined_Atom_Stereo_Count	2
26644345	Covalent_Unit_Count	1
9576002	Hydrogen_Bond_Donor_Count	7
8306	Defined_Bond_Stereo_Count	0
584	Undefined_Atom_Stereo_Count	1
8173	Mono_Isotopic_Weight	220.08266
46631	Defined_Bond_Stereo_Count	0
4594	Molecular_Weight	345.4
76118878	Hydrogen_Bond_Acceptor_Count	2
14920524	Structure_Complexity	94.4
11582982	TPSA	125
13165569	Structure_Complexity	103
19787449	Rotatable_Bond_Count	1
9994296	Exact_Mass	288.17254462
694652	TPSA	140
144147883	Undefined_Bond_Stereo_Count	0
6473739	Molecular_Weight	905.0
10657292	Covalent_Unit_Count	1
33938	Undefined_Atom_Stereo_Count	0
4271	Covalent_Unit_Count	1
22348659	Isotope_Atom_Count	0
19434657	Hydrogen_Bond_Acceptor_Count	1
54574891	Undefined_Bond_Stereo_Count	1
114801	Covalent_Unit_Count	1
157903531	Mono_Isotopic_Weight	99.068413911
12746	Hydrogen_Bond_Donor_Count	0
825877	Non-hydrogen_Atom_Count	15
156599213	Defined_Atom_Stereo_Count	6
5253	Defined_Bond_Stereo_Count	0
71258	Undefined_Atom_Stereo_Count	0
9909392	Non-hydrogen_Atom_Count	29
135542556	Defined_Atom_Stereo_Count	2
5283731	TPSA	40.5
22988955	TPSA	26.3
790	Defined_Bond_Stereo_Count	0
6252910	TPSA	195
60975	Molecular_Weight	265.78
192233	TPSA	49.4
2548	Total_Formal_Charge	0
976	Undefined_Bond_Stereo_Count	0
79012	XLogP3-AA	1
9060	Isotope_Atom_Count	0
30945	TPSA	26.3
5287971	Isotope_Atom_Count	0
446925	Defined_Bond_Stereo_Count	11
5371578	Undefined_Bond_Stereo_Count	0
119086017	Rotatable_Bond_Count	1
108068	Hydrogen_Bond_Acceptor_Count	3
60195813	Isotope_Atom_Count	0
9877343	Total_Formal_Charge	0
5288706	Hydrogen_Bond_Donor_Count	5
44456889	Mono_Isotopic_Weight	271.04807239
153816117	Hydrogen_Bond_Donor_Count	0
10427712	Hydrogen_Bond_Acceptor_Count	8
13248583	TPSA	29.1
14086017	Defined_Atom_Stereo_Count	0
77016	Covalent_Unit_Count	1
53323740	Molecular_Weight	300.31
71463825	Mono_Isotopic_Weight	1201.84136802
70689446	Defined_Atom_Stereo_Count	0
12028	Defined_Bond_Stereo_Count	0
66137	Isotope_Atom_Count	0
605461	Undefined_Bond_Stereo_Count	0
520098	Isotope_Atom_Count	0
71458868	TPSA	90.6
543880	Structure_Complexity	53.2
6062	Undefined_Atom_Stereo_Count	2
31203	Exact_Mass	360.363025472
67656913	Total_Formal_Charge	0
5378	Structure_Complexity	572
54580845	TPSA	34.2
4680	Isotope_Atom_Count	0
2327	Non-hydrogen_Atom_Count	18
8566	Tautomer_Count	6
89027474	Defined_Bond_Stereo_Count	0
16682730	TPSA	26.3
448222	Undefined_Bond_Stereo_Count	0
132932	Covalent_Unit_Count	1
30107	Covalent_Unit_Count	1
79905	Mono_Isotopic_Weight	132.09727168
5460348	Covalent_Unit_Count	1
9543082	Undefined_Bond_Stereo_Count	0
39688	Isotope_Atom_Count	0
5312115	Undefined_Atom_Stereo_Count	0
2175	Hydrogen_Bond_Acceptor_Count	11
3797915	Hydrogen_Bond_Acceptor_Count	1
44570851	TPSA	86.5
859783	Hydrogen_Bond_Donor_Count	1
189562	Non-hydrogen_Atom_Count	29
64149	Mono_Isotopic_Weight	152.120115130
143007	Undefined_Atom_Stereo_Count	0
10892	Hydrogen_Bond_Acceptor_Count	2
12226	Undefined_Bond_Stereo_Count	0
3208	Isotope_Atom_Count	0
3356885	Covalent_Unit_Count	3
23925	Exact_Mass	55.934936
3117357	Defined_Atom_Stereo_Count	0
7003	Covalent_Unit_Count	1
1512518	Undefined_Bond_Stereo_Count	0
26574	Mono_Isotopic_Weight	58.9940490
12363650	TPSA	55.4
95566291	Molecular_Weight	416.6
101544	Hydrogen_Bond_Donor_Count	5
49142	Hydrogen_Bond_Donor_Count	3
5281052	Defined_Bond_Stereo_Count	1
84589	Hydrogen_Bond_Donor_Count	1
25008120	Hydrogen_Bond_Acceptor_Count	15
8491	Hydrogen_Bond_Donor_Count	0
5160	Covalent_Unit_Count	1
13785328	Exact_Mass	384.11437830
78037	Molecular_Weight	120.98
125098	Defined_Atom_Stereo_Count	0
465951	Defined_Bond_Stereo_Count	0
158796	Hydrogen_Bond_Donor_Count	2
135449518	Defined_Bond_Stereo_Count	0
135540987	Non-hydrogen_Atom_Count	29
712078	Defined_Atom_Stereo_Count	0
135422052	Molecular_Weight	488.5
3718	Non-hydrogen_Atom_Count	21
8692	Isotope_Atom_Count	0
53493353	Rotatable_Bond_Count	1
35384	Mono_Isotopic_Weight	331.0975211
70299	Defined_Bond_Stereo_Count	0
9693	Hydrogen_Bond_Acceptor_Count	3
12406682	Molecular_Weight	79.10
139256539	Defined_Atom_Stereo_Count	5
123737063	Structure_Complexity	65.1
81749	Hydrogen_Bond_Donor_Count	2
63419	Isotope_Atom_Count	0
87359450	TPSA	30.9
5490846	XLogP3-AA	2
150855	Covalent_Unit_Count	1
15024257	Hydrogen_Bond_Acceptor_Count	3
71167	Hydrogen_Bond_Acceptor_Count	1
6491	Structure_Complexity	174
123451	Defined_Bond_Stereo_Count	0
44392167	Molecular_Weight	519.7
5086466	Mono_Isotopic_Weight	244.97559867
14803	Structure_Complexity	4
13067931	Structure_Complexity	111
1548887	Isotope_Atom_Count	0
2691	XLogP3-AA	0.5
118796404	TPSA	241
116864150	Covalent_Unit_Count	1
41377	Hydrogen_Bond_Acceptor_Count	1
6946	Hydrogen_Bond_Acceptor_Count	3
23687810	TPSA	53
755071	Molecular_Weight	251.32
157	Covalent_Unit_Count	1
7571	Undefined_Atom_Stereo_Count	0
36513	Total_Formal_Charge	0
512138	Hydrogen_Bond_Donor_Count	3
11954292	Mono_Isotopic_Weight	856.46898685
446541	Defined_Bond_Stereo_Count	1
4255874	Covalent_Unit_Count	3
91622711	Molecular_Weight	109.13
65938	Non-hydrogen_Atom_Count	34
3378440	Hydrogen_Bond_Acceptor_Count	8
51136438	Non-hydrogen_Atom_Count	14
140449	Molecular_Weight	83.09
46853873	Defined_Atom_Stereo_Count	14
285097	Non-hydrogen_Atom_Count	13
199614	Structure_Complexity	387
79314	Structure_Complexity	414
517304	Hydrogen_Bond_Acceptor_Count	12
9274	Undefined_Atom_Stereo_Count	0
44126086	TPSA	106
14306122	Exact_Mass	370.30830982
51026956	Undefined_Bond_Stereo_Count	0
6604087	Defined_Atom_Stereo_Count	3
17572160	Total_Formal_Charge	0
5355254	TPSA	26.3
70916	Non-hydrogen_Atom_Count	16
7672	Defined_Atom_Stereo_Count	0
8597	Non-hydrogen_Atom_Count	15
2099	Non-hydrogen_Atom_Count	22
6438028	Tautomer_Count	1
21126175	Isotope_Atom_Count	0
5311093	TPSA	58.6
3289	XLogP3	3.6
13138140	Hydrogen_Bond_Acceptor_Count	14
54014222	Covalent_Unit_Count	1
129211	Molecular_Weight	408.5
118104	Defined_Atom_Stereo_Count	0
14949211	Undefined_Atom_Stereo_Count	0
14758064	Isotope_Atom_Count	0
163994814	Molecular_Weight	101.06
5284376	Tautomer_Count	1
4678093	XLogP3	4.7
23238195	Covalent_Unit_Count	1
8210	Non-hydrogen_Atom_Count	15
62582	Hydrogen_Bond_Acceptor_Count	0
16700	Total_Formal_Charge	0
706326	Non-hydrogen_Atom_Count	14
53346602	Isotope_Atom_Count	0
10690	Rotatable_Bond_Count	5
91465	Non-hydrogen_Atom_Count	28
58375	Exact_Mass	301.16779360
6509753	Total_Formal_Charge	0
69698	Non-hydrogen_Atom_Count	11
4672596	Rotatable_Bond_Count	0
78160	Isotope_Atom_Count	0
688311	Molecular_Weight	245.04
12438035	Molecular_Weight	98.15
3349	Isotope_Atom_Count	0
57398329	Hydrogen_Bond_Donor_Count	1
10276962	Structure_Complexity	531
503737	Tautomer_Count	9
6603740	Structure_Complexity	401
88953	Rotatable_Bond_Count	7
67742	Structure_Complexity	342
998021	TPSA	125
217409	Tautomer_Count	4
7099	Undefined_Atom_Stereo_Count	0
126667515	Structure_Complexity	68.5
43667	Defined_Bond_Stereo_Count	0
58980176	Mono_Isotopic_Weight	110.109550447
54025583	Undefined_Atom_Stereo_Count	1
91996283	Total_Formal_Charge	0
3002820	Defined_Atom_Stereo_Count	0
123751374	Molecular_Weight	1202.6
566455	Covalent_Unit_Count	1
19702729	Molecular_Weight	113.11
46693	Defined_Atom_Stereo_Count	0
9963894	Rotatable_Bond_Count	14
65773	Structure_Complexity	151
5527	Hydrogen_Bond_Donor_Count	2
449343	Isotope_Atom_Count	0
87292009	Mono_Isotopic_Weight	110.073164938
19705594	Defined_Atom_Stereo_Count	0
14532111	Isotope_Atom_Count	0
6931	XLogP3	2.8
56520	Molecular_Weight	253.34
155293383	Molecular_Weight	877.0
55062	Defined_Bond_Stereo_Count	0
4488	Covalent_Unit_Count	1
105130	Tautomer_Count	1
3083702	Exact_Mass	591.25404239
135403828	Hydrogen_Bond_Donor_Count	7
33958	Defined_Atom_Stereo_Count	0
63245	Defined_Bond_Stereo_Count	0
54387833	Rotatable_Bond_Count	2
834999	Undefined_Bond_Stereo_Count	0
43672	Hydrogen_Bond_Acceptor_Count	8
2272	TPSA	24.7
656822	Undefined_Bond_Stereo_Count	0
87964902	XLogP3-AA	2.3
45934203	Molecular_Weight	281.26
59277765	Non-hydrogen_Atom_Count	7
7792	Mono_Isotopic_Weight	158.167065321
5702243	Non-hydrogen_Atom_Count	59
121877	Undefined_Atom_Stereo_Count	0
6452481	Defined_Bond_Stereo_Count	0
43146	Total_Formal_Charge	0
13972130	Structure_Complexity	76.6
12328	Covalent_Unit_Count	1
132584645	TPSA	43.4
23831	Undefined_Atom_Stereo_Count	0
46916401	Hydrogen_Bond_Acceptor_Count	11
20426485	Rotatable_Bond_Count	3
96344	Undefined_Atom_Stereo_Count	0
11027	Molecular_Weight	152.23
10017019	Structure_Complexity	275
24967621	Hydrogen_Bond_Donor_Count	2
10952513	Undefined_Atom_Stereo_Count	1
10888095	Undefined_Bond_Stereo_Count	0
21497	XLogP3-AA	0.1
142044455	Isotope_Atom_Count	0
246219	TPSA	64.4
9927988	Exact_Mass	342.11621151
67294	Molecular_Weight	194.19
12040510	Mono_Isotopic_Weight	453.02516722
13115533	Defined_Atom_Stereo_Count	0
58691	Undefined_Atom_Stereo_Count	0
71308696	Defined_Bond_Stereo_Count	0
73265408	Defined_Atom_Stereo_Count	14
53469852	Structure_Complexity	755
142959	Non-hydrogen_Atom_Count	8
2566	Undefined_Bond_Stereo_Count	0
453131	XLogP3	0.9
53793878	Covalent_Unit_Count	1
135979919	XLogP3-AA	4.1
6437392	Defined_Bond_Stereo_Count	2
15131492	Structure_Complexity	181
63104	XLogP3	6.5
6326281	Total_Formal_Charge	0
26989	Non-hydrogen_Atom_Count	9
13347991	Exact_Mass	108.093900383
6055792	Structure_Complexity	452
69833	TPSA	20.2
21117498	Covalent_Unit_Count	1
25271787	XLogP3-AA	0.3
139338	Mono_Isotopic_Weight	64.0313001276
136411580	Hydrogen_Bond_Donor_Count	5
3180	Non-hydrogen_Atom_Count	21
6438151	Hydrogen_Bond_Acceptor_Count	14
2565	Molecular_Weight	477.6
101614363	Defined_Atom_Stereo_Count	2
5287703	Mono_Isotopic_Weight	322.13174244
15710945	Undefined_Bond_Stereo_Count	0
8134	Non-hydrogen_Atom_Count	8
10161381	Defined_Bond_Stereo_Count	0
144525	Isotope_Atom_Count	0
17564	XLogP3	4.7
25181471	Hydrogen_Bond_Donor_Count	1
54581904	TPSA	34.2
5113032	Isotope_Atom_Count	0
518760	Non-hydrogen_Atom_Count	7
124081896	Non-hydrogen_Atom_Count	40
40579125	Defined_Atom_Stereo_Count	2
68903	Defined_Bond_Stereo_Count	0
17841212	Hydrogen_Bond_Acceptor_Count	3
124173720	Hydrogen_Bond_Acceptor_Count	8
5795	Hydrogen_Bond_Acceptor_Count	4
68478	XLogP3-AA	1.5
446569	Mono_Isotopic_Weight	596.24170406
95848	Undefined_Bond_Stereo_Count	0
8936	Defined_Bond_Stereo_Count	0
5280954	Total_Formal_Charge	0
61701	Structure_Complexity	208
136091	Undefined_Bond_Stereo_Count	0
148821664	Defined_Atom_Stereo_Count	0
87929779	Undefined_Atom_Stereo_Count	1
11286443	Undefined_Atom_Stereo_Count	0
121285115	Exact_Mass	284.16237386
54678486	Molecular_Weight	308.3
23695542	TPSA	74.8
135942119	Undefined_Bond_Stereo_Count	0
11287722	Non-hydrogen_Atom_Count	16
55113	Molecular_Weight	306.0
443407	Undefined_Atom_Stereo_Count	0
117291	Hydrogen_Bond_Acceptor_Count	4
9473	Hydrogen_Bond_Donor_Count	0
25022354	Covalent_Unit_Count	1
25217563	Isotope_Atom_Count	0
204109	Isotope_Atom_Count	0
10079877	Molecular_Weight	1111.3
80786	Isotope_Atom_Count	0
124770286	Isotope_Atom_Count	0
17046	Defined_Bond_Stereo_Count	0
99922	Mono_Isotopic_Weight	260.06847348
45104767	Molecular_Weight	506.5
14920524	Covalent_Unit_Count	1
9886249	Molecular_Weight	382.4
135052535	Mono_Isotopic_Weight	116.047344113
2807	Rotatable_Bond_Count	10
81466	Total_Formal_Charge	0
63686	Rotatable_Bond_Count	7
96522	Rotatable_Bond_Count	1
246916	Undefined_Bond_Stereo_Count	0
23262897	Structure_Complexity	109
104607	Defined_Atom_Stereo_Count	0
20614524	Molecular_Weight	103.16
22062700	Rotatable_Bond_Count	2
2568387	Isotope_Atom_Count	0
751496	Exact_Mass	334.13511374
24752	Defined_Bond_Stereo_Count	0
17898	Mono_Isotopic_Weight	124.063662883
53077	TPSA	23.5
55278707	Mono_Isotopic_Weight	98.048012819
54574695	Covalent_Unit_Count	1
145359725	Defined_Bond_Stereo_Count	0
54084075	Defined_Bond_Stereo_Count	0
36054	Undefined_Atom_Stereo_Count	1
82131	Mono_Isotopic_Weight	213.96294
5282474	Covalent_Unit_Count	2
134717663	Hydrogen_Bond_Acceptor_Count	16
539829	TPSA	52.6
119086019	Total_Formal_Charge	0
127995	Tautomer_Count	1
21087	Molecular_Weight	294.4
4646	Structure_Complexity	283
170209	Covalent_Unit_Count	2
65702	Undefined_Atom_Stereo_Count	1
44446780	Non-hydrogen_Atom_Count	21
57398256	TPSA	102
818256	Defined_Bond_Stereo_Count	0
130026107	Defined_Atom_Stereo_Count	0
5364495	TPSA	17.1
148837046	Defined_Bond_Stereo_Count	0
88589623	Hydrogen_Bond_Acceptor_Count	14
53741494	Non-hydrogen_Atom_Count	8
20449316	Mono_Isotopic_Weight	151.08445790
68015385	TPSA	190
60164	Hydrogen_Bond_Acceptor_Count	3
101254454	Defined_Atom_Stereo_Count	0
118210808	Rotatable_Bond_Count	0
53747824	Structure_Complexity	203
439456	Hydrogen_Bond_Donor_Count	9
449331	Hydrogen_Bond_Acceptor_Count	14
3222	Isotope_Atom_Count	0
262282	Hydrogen_Bond_Donor_Count	1
5743836	Exact_Mass	249.13649347
53643410	Structure_Complexity	66.7
22138513	Molecular_Weight	102.13
43838	Rotatable_Bond_Count	5
1034	Structure_Complexity	146
89079153	Hydrogen_Bond_Donor_Count	0
12940550	TPSA	40.5
137240	Covalent_Unit_Count	1
4293071	Molecular_Weight	117.15
95255	Hydrogen_Bond_Acceptor_Count	3
138753050	Structure_Complexity	457
34633	Covalent_Unit_Count	1
114743	Non-hydrogen_Atom_Count	19
8501	Isotope_Atom_Count	0
51136438	Structure_Complexity	261
53914181	Non-hydrogen_Atom_Count	7
9831414	Hydrogen_Bond_Donor_Count	0
9727	Covalent_Unit_Count	1
22408685	Hydrogen_Bond_Acceptor_Count	2
67967	Total_Formal_Charge	0
61691030	Rotatable_Bond_Count	2
6835	Undefined_Atom_Stereo_Count	0
61868	Isotope_Atom_Count	0
168908	Hydrogen_Bond_Acceptor_Count	6
8373	Defined_Atom_Stereo_Count	0
10997868	Defined_Atom_Stereo_Count	0
102396680	Molecular_Weight	316.30
11286230	Hydrogen_Bond_Donor_Count	12
11544171	Hydrogen_Bond_Donor_Count	2
23635314	Hydrogen_Bond_Acceptor_Count	5
88800	Undefined_Atom_Stereo_Count	0
14301363	TPSA	83.8
688303	Covalent_Unit_Count	1
91759533	Covalent_Unit_Count	1
9033	Molecular_Weight	43.07
24956	Rotatable_Bond_Count	0
94746	Mono_Isotopic_Weight	114.068079557
68424	Rotatable_Bond_Count	1
67850	Hydrogen_Bond_Donor_Count	0
81237	Undefined_Atom_Stereo_Count	0
89532783	XLogP3-AA	0.9
64765	Tautomer_Count	1
57396214	Hydrogen_Bond_Acceptor_Count	5
9973981	TPSA	21.7
1265	Mono_Isotopic_Weight	485.22474839
4363644	Molecular_Weight	871.6
56665393	Isotope_Atom_Count	0
677105	Defined_Bond_Stereo_Count	0
20483617	Molecular_Weight	110.16
9916998	Defined_Atom_Stereo_Count	1
547785	Molecular_Weight	120.15
21026	Undefined_Atom_Stereo_Count	0
112029	Hydrogen_Bond_Donor_Count	1
23635314	Isotope_Atom_Count	0
5463057	Structure_Complexity	147
52949466	Hydrogen_Bond_Donor_Count	1
7274	Exact_Mass	126.068079557
20728	Exact_Mass	416.25627424
2532	Defined_Bond_Stereo_Count	0
71449988	Defined_Atom_Stereo_Count	0
520190	Exact_Mass	290.260965704
13885286	Covalent_Unit_Count	1
53260965	Exact_Mass	384.02483287
138891	Isotope_Atom_Count	0
162413	XLogP3	3.7
17963201	Undefined_Bond_Stereo_Count	0
85608271	Hydrogen_Bond_Acceptor_Count	2
656777	Mono_Isotopic_Weight	528.21594617
91388	Molecular_Weight	154.25
2222	Covalent_Unit_Count	1
2782201	Hydrogen_Bond_Donor_Count	2
23058104	XLogP3-AA	1.4
6435207	XLogP3-AA	1.3
10379	Hydrogen_Bond_Acceptor_Count	3
11320929	Exact_Mass	116.047344113
70662473	Undefined_Bond_Stereo_Count	0
84866	Non-hydrogen_Atom_Count	14
14249	Structure_Complexity	135
44195571	Undefined_Atom_Stereo_Count	0
135464373	Hydrogen_Bond_Acceptor_Count	5
17074527	Structure_Complexity	82.5
51984	Undefined_Atom_Stereo_Count	0
153991111	Undefined_Atom_Stereo_Count	1
11332430	Structure_Complexity	132
25126798	Molecular_Weight	306.4
60203	TPSA	31.4
14875988	Defined_Atom_Stereo_Count	0
59018485	Hydrogen_Bond_Donor_Count	0
91394869	Hydrogen_Bond_Acceptor_Count	2
43389	Structure_Complexity	63.5
5364711	Mono_Isotopic_Weight	282.255880323
2123	Exact_Mass	210.15929460
14148804	XLogP3-AA	1.4
142123799	Exact_Mass	102.079312947
54012932	Undefined_Atom_Stereo_Count	2
40428463	Hydrogen_Bond_Donor_Count	0
58190401	Hydrogen_Bond_Donor_Count	0
75645	Undefined_Atom_Stereo_Count	0
156599213	Covalent_Unit_Count	1
70297750	Undefined_Atom_Stereo_Count	1
57328467	Covalent_Unit_Count	1
10154017	Non-hydrogen_Atom_Count	7
124769751	Non-hydrogen_Atom_Count	20
425440	Non-hydrogen_Atom_Count	7
5281567	TPSA	54
96264	Undefined_Atom_Stereo_Count	0
5283137	Undefined_Bond_Stereo_Count	0
131536	Undefined_Atom_Stereo_Count	0
147315772	Structure_Complexity	86.5
5481119	Hydrogen_Bond_Acceptor_Count	6
460516	Hydrogen_Bond_Acceptor_Count	7
88683	Covalent_Unit_Count	1
123701	Total_Formal_Charge	0
11462536	Molecular_Weight	360.3
752860	XLogP3-AA	3.9
21541699	Covalent_Unit_Count	1
122449120	Hydrogen_Bond_Donor_Count	1
20429663	Undefined_Bond_Stereo_Count	0
28540	Hydrogen_Bond_Acceptor_Count	2
5282386	TPSA	24.4
13364	Undefined_Atom_Stereo_Count	0
129888394	Defined_Atom_Stereo_Count	0
5351279	TPSA	7.8
12828792	XLogP3-AA	0.2
101838	Undefined_Atom_Stereo_Count	0
32243	Covalent_Unit_Count	1
17847	Defined_Atom_Stereo_Count	0
105037	Defined_Bond_Stereo_Count	0
4454009	Defined_Bond_Stereo_Count	0
23665772	Undefined_Atom_Stereo_Count	2
75025	Isotope_Atom_Count	0
1780	TPSA	37.3
89805	Undefined_Atom_Stereo_Count	0
88336	Rotatable_Bond_Count	0
135421392	Isotope_Atom_Count	0
18622377	Defined_Bond_Stereo_Count	0
210739	Total_Formal_Charge	0
40240	Non-hydrogen_Atom_Count	29
590596	Rotatable_Bond_Count	0
221523	Hydrogen_Bond_Acceptor_Count	1
2741	Defined_Atom_Stereo_Count	0
5312583	Hydrogen_Bond_Donor_Count	1
7848	Exact_Mass	76.03467143
400769	Rotatable_Bond_Count	2
15550385	Covalent_Unit_Count	1
123610	Structure_Complexity	1520
6015423	Structure_Complexity	570
560878	Hydrogen_Bond_Acceptor_Count	2
53316380	Hydrogen_Bond_Acceptor_Count	4
73348210	Covalent_Unit_Count	1
91635	Tautomer_Count	1
66663	Covalent_Unit_Count	1
6980	XLogP3	2.5
2795	TPSA	23.5
19382908	Defined_Bond_Stereo_Count	0
5280649	Isotope_Atom_Count	0
548678	Exact_Mass	109.052763847
94213	Total_Formal_Charge	0
42884	Hydrogen_Bond_Donor_Count	0
44521022	Mono_Isotopic_Weight	453.21647512
53784322	TPSA	20.2
107649	Rotatable_Bond_Count	0
67782142	Covalent_Unit_Count	1
524217	Undefined_Bond_Stereo_Count	0
5742590	XLogP3-AA	7.7
456410	Defined_Atom_Stereo_Count	7
439201	Exact_Mass	1059.56139820
70309	Covalent_Unit_Count	1
81079	Hydrogen_Bond_Donor_Count	0
3763607	Defined_Bond_Stereo_Count	0
233613	Hydrogen_Bond_Donor_Count	1
44154280	Defined_Atom_Stereo_Count	4
143852	Tautomer_Count	1
97616695	Undefined_Atom_Stereo_Count	0
5318385	Defined_Atom_Stereo_Count	2
86811213	TPSA	49.8
57121306	Undefined_Atom_Stereo_Count	0
71455485	Non-hydrogen_Atom_Count	35
9661	Molecular_Weight	181.23
142798	XLogP3-AA	2.7
16224058	Undefined_Atom_Stereo_Count	0
9883372	Total_Formal_Charge	0
7984	Structure_Complexity	201
13434377	TPSA	38.7
71591488	Rotatable_Bond_Count	0
9865375	XLogP3-AA	4.9
50925404	XLogP3-AA	3.7
53319416	Defined_Bond_Stereo_Count	0
73943	Undefined_Bond_Stereo_Count	0
24314	Exact_Mass	130.099379685
53299334	Mono_Isotopic_Weight	464.1303340
8341	Undefined_Bond_Stereo_Count	0
10360656	Defined_Atom_Stereo_Count	0
53315103	Defined_Bond_Stereo_Count	0
54605501	Exact_Mass	497.21513732
6954	Hydrogen_Bond_Donor_Count	1
106701	Exact_Mass	186.161979940
8184	Defined_Atom_Stereo_Count	0
542158	Isotope_Atom_Count	0
54289557	Isotope_Atom_Count	0
61375	Undefined_Atom_Stereo_Count	0
13170124	Defined_Atom_Stereo_Count	0
154701841	TPSA	20.2
135472946	Isotope_Atom_Count	0
136870	Defined_Bond_Stereo_Count	0
140473289	XLogP3-AA	7.5
3033856	Total_Formal_Charge	0
13909090	Hydrogen_Bond_Donor_Count	1
21889167	Mono_Isotopic_Weight	161.06880783
10176082	Exact_Mass	77.9897574
3770	Isotope_Atom_Count	0
124427842	Total_Formal_Charge	0
10405997	TPSA	57.5
149362669	Mono_Isotopic_Weight	98.073164938
3032307	Rotatable_Bond_Count	6
19543	Defined_Atom_Stereo_Count	0
6420039	Mono_Isotopic_Weight	315.1601214
21691268	Undefined_Bond_Stereo_Count	0
19736124	TPSA	41.5
11843834	Defined_Atom_Stereo_Count	0
557356	Rotatable_Bond_Count	1
2451	XLogP3	2.8
6438361	Tautomer_Count	1
11243969	Hydrogen_Bond_Acceptor_Count	4
16073662	Non-hydrogen_Atom_Count	42
12563346	Mono_Isotopic_Weight	142.00885060
80668	Total_Formal_Charge	0
14200857	Undefined_Atom_Stereo_Count	0
14081616	Molecular_Weight	110.16
6971016	Covalent_Unit_Count	1
91927769	Defined_Bond_Stereo_Count	0
123935	Tautomer_Count	6
139026056	Hydrogen_Bond_Donor_Count	8
5363095	Undefined_Bond_Stereo_Count	0
3088997	Tautomer_Count	2
10080379	Defined_Atom_Stereo_Count	0
10949	Hydrogen_Bond_Acceptor_Count	5
11116575	Covalent_Unit_Count	1
71271629	Undefined_Atom_Stereo_Count	0
8698	Defined_Atom_Stereo_Count	0
134694857	Hydrogen_Bond_Acceptor_Count	9
596091	Rotatable_Bond_Count	4
6154	Tautomer_Count	2
105054	Undefined_Bond_Stereo_Count	0
8068	Tautomer_Count	1
175988	Total_Formal_Charge	0
681255	Defined_Bond_Stereo_Count	0
53978942	XLogP3-AA	1.4
17755052	Molecular_Weight	513.6
23617864	Exact_Mass	210.161979940
10341	Hydrogen_Bond_Acceptor_Count	2
22320095	Structure_Complexity	83
46926544	Molecular_Weight	380.4
87642	Defined_Atom_Stereo_Count	5
162265	Mono_Isotopic_Weight	151.099714038
23804	Rotatable_Bond_Count	3
40468194	Undefined_Bond_Stereo_Count	0
3260420	Rotatable_Bond_Count	0
66662059	TPSA	88.6
129856110	Defined_Atom_Stereo_Count	0
7662	Mono_Isotopic_Weight	206.130679813
91285707	Defined_Bond_Stereo_Count	0
78422653	Covalent_Unit_Count	1
144739862	Covalent_Unit_Count	1
11126	Molecular_Weight	98.17
33503	Hydrogen_Bond_Acceptor_Count	2
104485	Covalent_Unit_Count	1
13360	Undefined_Bond_Stereo_Count	0
41442	Rotatable_Bond_Count	3
5365748	Undefined_Atom_Stereo_Count	0
13073879	Exact_Mass	116.083729621
1412	Total_Formal_Charge	0
3614551	Total_Formal_Charge	0
13112141	Non-hydrogen_Atom_Count	8
81364	Exact_Mass	169.94979
52038	Mono_Isotopic_Weight	225.160302917
91461198	Exact_Mass	112.052429494
170327	Hydrogen_Bond_Acceptor_Count	3
10953434	Structure_Complexity	76.1
59277791	Hydrogen_Bond_Acceptor_Count	2
6437356	Isotope_Atom_Count	0
87215	Molecular_Weight	400.5
13067931	Mono_Isotopic_Weight	106.053098200
68849	Undefined_Bond_Stereo_Count	0
219025	Undefined_Atom_Stereo_Count	0
99334	Hydrogen_Bond_Donor_Count	0
84787	Mono_Isotopic_Weight	253.17902698
3831985	Non-hydrogen_Atom_Count	31
68745835	Hydrogen_Bond_Donor_Count	1
5311507	Rotatable_Bond_Count	5
142906448	Covalent_Unit_Count	1
92515	Isotope_Atom_Count	0
6918405	Undefined_Atom_Stereo_Count	0
19802062	Defined_Bond_Stereo_Count	0
29124	Rotatable_Bond_Count	4
688043	Rotatable_Bond_Count	1
22779	Undefined_Atom_Stereo_Count	1
441348	Hydrogen_Bond_Donor_Count	2
6917975	Structure_Complexity	1040
57395973	Non-hydrogen_Atom_Count	29
46964	Hydrogen_Bond_Donor_Count	1
19212	Rotatable_Bond_Count	5
5460853	Hydrogen_Bond_Acceptor_Count	3
6497	Molecular_Weight	126.13
2253	Hydrogen_Bond_Donor_Count	3
2377	Structure_Complexity	238
139920	Tautomer_Count	1
70851	Covalent_Unit_Count	1
23617351	Total_Formal_Charge	0
19083150	Hydrogen_Bond_Donor_Count	0
2762816	Exact_Mass	112.04367633
92094	Hydrogen_Bond_Acceptor_Count	2
148118273	TPSA	0
165157	Structure_Complexity	1500
22675	Total_Formal_Charge	0
3616	XLogP3-AA	0.3
44814409	Total_Formal_Charge	0
1401	Mono_Isotopic_Weight	523.32708820
53887	Total_Formal_Charge	0
25102937	TPSA	153
11988286	Hydrogen_Bond_Acceptor_Count	3
5311	Non-hydrogen_Atom_Count	19
71681009	Total_Formal_Charge	0
10678204	Undefined_Atom_Stereo_Count	1
439533	Hydrogen_Bond_Donor_Count	5
23675456	Rotatable_Bond_Count	16
132519	Structure_Complexity	554
20548476	Non-hydrogen_Atom_Count	7
90987052	Structure_Complexity	115
449619	TPSA	64.9
45467	Hydrogen_Bond_Acceptor_Count	6
94343	Covalent_Unit_Count	1
12256	Covalent_Unit_Count	1
5329047	Total_Formal_Charge	0
13306877	Hydrogen_Bond_Acceptor_Count	2
14088498	Total_Formal_Charge	0
2321	Non-hydrogen_Atom_Count	42
11546350	Hydrogen_Bond_Acceptor_Count	4
5328791	TPSA	81.3
57202251	Covalent_Unit_Count	1
20803	Tautomer_Count	1
134694664	Hydrogen_Bond_Acceptor_Count	3
21721168	Mono_Isotopic_Weight	129.01878364
11993	Hydrogen_Bond_Acceptor_Count	0
838868	Exact_Mass	187.063328530
13243	Non-hydrogen_Atom_Count	13
93147	Molecular_Weight	286.4
91618345	Non-hydrogen_Atom_Count	8
36303	Isotope_Atom_Count	0
267493	Molecular_Weight	259.22
72200939	Undefined_Atom_Stereo_Count	0
704481	Defined_Atom_Stereo_Count	2
11589453	TPSA	90
107770	Structure_Complexity	415
12755802	Rotatable_Bond_Count	2
6048	Rotatable_Bond_Count	2
40472	Undefined_Atom_Stereo_Count	0
7067872	Structure_Complexity	418
5311023	Defined_Bond_Stereo_Count	0
71460926	Isotope_Atom_Count	0
9821	Undefined_Bond_Stereo_Count	0
52949373	Covalent_Unit_Count	1
54517091	Isotope_Atom_Count	0
55284379	Total_Formal_Charge	0
119095779	Total_Formal_Charge	0
3084447	Mono_Isotopic_Weight	297.1495567
70926	Mono_Isotopic_Weight	213.04933569
49107	Tautomer_Count	1
76262	Covalent_Unit_Count	1
155902	TPSA	0
77067	Defined_Atom_Stereo_Count	0
1565	Structure_Complexity	308
67512	Molecular_Weight	112.17
156022731	Non-hydrogen_Atom_Count	72
9815689	TPSA	50.1
129852933	Undefined_Bond_Stereo_Count	0
9180	Hydrogen_Bond_Donor_Count	0
133562729	Non-hydrogen_Atom_Count	76
58453	Isotope_Atom_Count	0
1724	Undefined_Bond_Stereo_Count	0
6438373	Isotope_Atom_Count	0
158144361	Non-hydrogen_Atom_Count	7
44263853	Mono_Isotopic_Weight	966.28524644
53232	Rotatable_Bond_Count	7
79128	XLogP3-AA	2.3
13193732	Molecular_Weight	111.14
9867605	Molecular_Weight	435.2
91713	Non-hydrogen_Atom_Count	37
123347340	Hydrogen_Bond_Donor_Count	0
10044	Isotope_Atom_Count	0
44521023	Defined_Bond_Stereo_Count	0
50262	Defined_Bond_Stereo_Count	0
108078	XLogP3	5
71316127	Covalent_Unit_Count	1
93971978	XLogP3-AA	2.2
16682746	Defined_Bond_Stereo_Count	0
4432	Rotatable_Bond_Count	10
20514191	Structure_Complexity	62.6
3720192	Hydrogen_Bond_Donor_Count	0
65590	TPSA	26
57131009	TPSA	9.2
2434	Undefined_Bond_Stereo_Count	0
117640	Undefined_Atom_Stereo_Count	0
44318277	Rotatable_Bond_Count	4
12563179	Covalent_Unit_Count	1
64819	Non-hydrogen_Atom_Count	85
89904392	Covalent_Unit_Count	3
637566	Structure_Complexity	150
11916	Hydrogen_Bond_Acceptor_Count	1
248271	Defined_Bond_Stereo_Count	0
71171	Molecular_Weight	679.8
2724279	Molecular_Weight	118.13
12756	Non-hydrogen_Atom_Count	8
82259	Isotope_Atom_Count	0
25245609	Exact_Mass	399.06271339
23670774	Total_Formal_Charge	0
439352	Total_Formal_Charge	0
59295974	TPSA	133
5388937	Isotope_Atom_Count	0
5284512	Isotope_Atom_Count	0
53696	Tautomer_Count	1
6519	Mono_Isotopic_Weight	719.710750
3664740	Non-hydrogen_Atom_Count	23
7949	Undefined_Atom_Stereo_Count	0
12320138	Hydrogen_Bond_Acceptor_Count	2
47326	Isotope_Atom_Count	0
3538	Structure_Complexity	482
77690	Defined_Bond_Stereo_Count	0
199543	Molecular_Weight	108.09
74811	Hydrogen_Bond_Acceptor_Count	2
67975127	Isotope_Atom_Count	0
295042	Molecular_Weight	288.77
86039889	Rotatable_Bond_Count	2
68476	Rotatable_Bond_Count	0
11957517	Isotope_Atom_Count	0
3388	Defined_Bond_Stereo_Count	0
25164108	Hydrogen_Bond_Donor_Count	3
87990	Isotope_Atom_Count	0
18696579	Structure_Complexity	44.5
4592	Mono_Isotopic_Weight	298.15420922
20034388	Molecular_Weight	89.14
22725651	Exact_Mass	99.032028402
688356	Structure_Complexity	394
13719374	TPSA	20.2
5289501	Covalent_Unit_Count	1
65309	TPSA	157
8520	Hydrogen_Bond_Acceptor_Count	3
201990	Molecular_Weight	110.16
11073351	Undefined_Bond_Stereo_Count	0
11152667	XLogP3-AA	2.3
59045964	Mono_Isotopic_Weight	111.068413911
10772946	Structure_Complexity	74.1
20831824	Total_Formal_Charge	0
21180574	Exact_Mass	108.043596145
64968	Hydrogen_Bond_Acceptor_Count	14
2800	Hydrogen_Bond_Donor_Count	0
19864017	Hydrogen_Bond_Acceptor_Count	5
3494	Hydrogen_Bond_Donor_Count	1
135643052	Defined_Bond_Stereo_Count	1
102601697	Undefined_Bond_Stereo_Count	0
163050683	Total_Formal_Charge	0
134694983	Undefined_Bond_Stereo_Count	0
56599306	TPSA	157
6918663	Rotatable_Bond_Count	7
6444834	Undefined_Atom_Stereo_Count	1
120738	Exact_Mass	261.172878976
71411033	Exact_Mass	97.052763847
44560808	Mono_Isotopic_Weight	410.14126175
5352543	Rotatable_Bond_Count	9
729483	Defined_Bond_Stereo_Count	0
154437	Hydrogen_Bond_Donor_Count	3
87075443	Undefined_Bond_Stereo_Count	0
4053	Undefined_Bond_Stereo_Count	0
54708862	Isotope_Atom_Count	0
23725082	Hydrogen_Bond_Donor_Count	0
57147295	Exact_Mass	100.052429494
736500	Mono_Isotopic_Weight	162.01393598
124427926	Covalent_Unit_Count	1
79244	TPSA	37.4
414243	Defined_Atom_Stereo_Count	0
644241	Hydrogen_Bond_Donor_Count	2
136362	Mono_Isotopic_Weight	88.100048391
134283942	Defined_Bond_Stereo_Count	0
85257	Exact_Mass	94.98029013
86218	Tautomer_Count	2
68119	Hydrogen_Bond_Acceptor_Count	4
81885	Isotope_Atom_Count	0
16721	Non-hydrogen_Atom_Count	19
7024	Covalent_Unit_Count	1
46783795	Defined_Atom_Stereo_Count	8
129670580	XLogP3-AA	3.2
46839993	Non-hydrogen_Atom_Count	6
139062656	Molecular_Weight	2357.2
57537	Undefined_Bond_Stereo_Count	0
12274	Total_Formal_Charge	0
25172086	Hydrogen_Bond_Donor_Count	3
11949646	Defined_Atom_Stereo_Count	6
20080634	Structure_Complexity	88.5
14456889	Rotatable_Bond_Count	1
21953621	Isotope_Atom_Count	0
23	Hydrogen_Bond_Donor_Count	3
60287	Exact_Mass	263.188529040
57396887	Non-hydrogen_Atom_Count	24
123704723	Mono_Isotopic_Weight	112.088815002
5357402	Hydrogen_Bond_Acceptor_Count	0
16132416	Isotope_Atom_Count	0
22832	Exact_Mass	786.11240669
53262012	Undefined_Atom_Stereo_Count	1
154803918	Defined_Atom_Stereo_Count	0
10449	XLogP3-AA	1.3
151173	Hydrogen_Bond_Acceptor_Count	4
2736145	Undefined_Bond_Stereo_Count	0
119590	Undefined_Atom_Stereo_Count	0
16732313	Rotatable_Bond_Count	2
66803	Covalent_Unit_Count	1
69990	Structure_Complexity	148
31101	TPSA	118
7026	XLogP3-AA	1.1
14678666	XLogP3-AA	0
118388029	Hydrogen_Bond_Donor_Count	0
719	Undefined_Atom_Stereo_Count	4
66070288	Rotatable_Bond_Count	2
17928	Mono_Isotopic_Weight	243.08954328
220175	Non-hydrogen_Atom_Count	14
20984	Rotatable_Bond_Count	4
942	Isotope_Atom_Count	0
71719928	Defined_Atom_Stereo_Count	4
97414	TPSA	103
6435463	Hydrogen_Bond_Acceptor_Count	2
433956	Hydrogen_Bond_Acceptor_Count	2
123239	Non-hydrogen_Atom_Count	11
42091	Hydrogen_Bond_Acceptor_Count	3
235970	Mono_Isotopic_Weight	434.1496163
22650	XLogP3	4.1
91851108	Mono_Isotopic_Weight	342.11621151
6411	TPSA	83
30049	Isotope_Atom_Count	0
11182575	Defined_Bond_Stereo_Count	0
3604	Mono_Isotopic_Weight	202.240898965
4477	Covalent_Unit_Count	1
98053103	Undefined_Atom_Stereo_Count	0
5469	Hydrogen_Bond_Donor_Count	1
9576891	Total_Formal_Charge	0
22639586	TPSA	38
444885	Tautomer_Count	2
58621611	Total_Formal_Charge	0
25164000	Defined_Bond_Stereo_Count	0
137720	Total_Formal_Charge	0
146681183	Covalent_Unit_Count	1
12597	Rotatable_Bond_Count	0
13809010	Defined_Atom_Stereo_Count	0
377339	Total_Formal_Charge	0
69689	TPSA	69.6
3032854	TPSA	29.5
134715456	Structure_Complexity	639
81646	Molecular_Weight	128.17
5359853	Covalent_Unit_Count	3
12513420	XLogP3-AA	0.9
15001198	Undefined_Atom_Stereo_Count	0
808	Covalent_Unit_Count	1
12376292	Covalent_Unit_Count	1
91259187	TPSA	0
21343371	Molecular_Weight	84.12
22170354	TPSA	86.5
59296100	Isotope_Atom_Count	0
52944411	Exact_Mass	387.11946125
13177013	Hydrogen_Bond_Donor_Count	1
12664944	Mono_Isotopic_Weight	100.088815002
76980	Total_Formal_Charge	0
77529	Structure_Complexity	138
903168	Covalent_Unit_Count	1
16760703	Molecular_Weight	166.19
26173	TPSA	40.5
129720561	Structure_Complexity	102
24532	Undefined_Bond_Stereo_Count	0
11954041	Undefined_Bond_Stereo_Count	0
14842863	Isotope_Atom_Count	0
55	Mono_Isotopic_Weight	654.53758147
20392430	Hydrogen_Bond_Donor_Count	1
441073	Hydrogen_Bond_Acceptor_Count	4
82313	Tautomer_Count	2
170317	Mono_Isotopic_Weight	349.1000197
22313123	Defined_Atom_Stereo_Count	0
22011941	Total_Formal_Charge	0
6477715	Rotatable_Bond_Count	7
91386640	Non-hydrogen_Atom_Count	7
136203056	Structure_Complexity	89.7
7000	XLogP3	1.2
9578570	XLogP3-AA	4.9
13512	Isotope_Atom_Count	0
44242317	Structure_Complexity	1100
79003661	Undefined_Bond_Stereo_Count	0
521768	Defined_Bond_Stereo_Count	0
12358890	Rotatable_Bond_Count	8
12868	TPSA	34.1
71387	Rotatable_Bond_Count	2
79798	Hydrogen_Bond_Donor_Count	2
134695314	TPSA	172
2210	Hydrogen_Bond_Acceptor_Count	4
5357402	Rotatable_Bond_Count	3
222528	Molecular_Weight	392.6
15812317	Defined_Atom_Stereo_Count	0
63055	Undefined_Atom_Stereo_Count	0
6437358	Non-hydrogen_Atom_Count	45
11408688	Covalent_Unit_Count	2
15062870	Hydrogen_Bond_Acceptor_Count	2
2282	Molecular_Weight	465.5
988	Defined_Bond_Stereo_Count	0
129653419	Isotope_Atom_Count	0
33196	Non-hydrogen_Atom_Count	22
179822	Undefined_Atom_Stereo_Count	0
8791	Non-hydrogen_Atom_Count	21
3045335	Undefined_Atom_Stereo_Count	0
12428017	Hydrogen_Bond_Donor_Count	0
50997747	Hydrogen_Bond_Donor_Count	0
53477580	Total_Formal_Charge	0
494085	Isotope_Atom_Count	0
3032296	Undefined_Atom_Stereo_Count	0
20055404	Rotatable_Bond_Count	7
3077	XLogP3-AA	0.6
11815322	Hydrogen_Bond_Acceptor_Count	2
5326960	Exact_Mass	339.07363568
15004706	Undefined_Bond_Stereo_Count	0
44126083	Structure_Complexity	545
31953	Rotatable_Bond_Count	3
8123	Tautomer_Count	1
5320621	TPSA	47.6
83864197	Total_Formal_Charge	0
88983	Covalent_Unit_Count	1
140015	Exact_Mass	114.068079557
15439198	Covalent_Unit_Count	1
11477833	Defined_Bond_Stereo_Count	0
135482068	Undefined_Bond_Stereo_Count	0
556487	Isotope_Atom_Count	0
163883593	Rotatable_Bond_Count	0
5377022	Undefined_Bond_Stereo_Count	0
42754	Undefined_Bond_Stereo_Count	1
7175	Molecular_Weight	180.20
14815775	Rotatable_Bond_Count	0
411828	Covalent_Unit_Count	1
2098	Defined_Atom_Stereo_Count	0
1078	Tautomer_Count	3
15025	Hydrogen_Bond_Acceptor_Count	14
5719	XLogP3	1
88209	Exact_Mass	203.9744848
22603628	Covalent_Unit_Count	1
76013	Defined_Bond_Stereo_Count	0
138404353	Undefined_Atom_Stereo_Count	0
6907	Exact_Mass	511.60339
6991978	Hydrogen_Bond_Acceptor_Count	3
9874838	Structure_Complexity	1110
20711973	Covalent_Unit_Count	1
54682458	Mono_Isotopic_Weight	608.17295580
118098295	Hydrogen_Bond_Donor_Count	8
14967	Total_Formal_Charge	0
154809859	Undefined_Atom_Stereo_Count	1
25001850	Hydrogen_Bond_Acceptor_Count	8
31425	Structure_Complexity	744
81981	Structure_Complexity	227
70685175	Structure_Complexity	683
54353190	Covalent_Unit_Count	1
46830291	Molecular_Weight	399.8
853747	XLogP3-AA	2.6
4713215	Undefined_Atom_Stereo_Count	0
9569	Undefined_Atom_Stereo_Count	9
73680	Rotatable_Bond_Count	11
91617740	XLogP3-AA	4.4
21717212	Hydrogen_Bond_Acceptor_Count	7
444037	Non-hydrogen_Atom_Count	58
70310	Undefined_Atom_Stereo_Count	0
15057	Covalent_Unit_Count	2
68363	Covalent_Unit_Count	1
15493441	Hydrogen_Bond_Donor_Count	0
44521018	Total_Formal_Charge	0
13240378	Exact_Mass	150.128274515
125017	Rotatable_Bond_Count	4
105125	Rotatable_Bond_Count	20
18177	XLogP3-AA	1.3
24977223	XLogP3-AA	0.8
68296308	Exact_Mass	110.059246208
6857538	Defined_Atom_Stereo_Count	2
90943273	Hydrogen_Bond_Donor_Count	0
70608	Molecular_Weight	180.09
26975	Molecular_Weight	164.24
637572	Structure_Complexity	27.1
32610	Defined_Atom_Stereo_Count	0
87870958	Molecular_Weight	111.14
139906417	Rotatable_Bond_Count	2
44266486	Molecular_Weight	298.37
6443803	Undefined_Atom_Stereo_Count	0
9954739	Non-hydrogen_Atom_Count	32
4110039	Molecular_Weight	132.16
445461	Non-hydrogen_Atom_Count	61
8221	Structure_Complexity	145
67214	Structure_Complexity	1210
92114	Rotatable_Bond_Count	4
154724068	Hydrogen_Bond_Donor_Count	5
12695798	Undefined_Bond_Stereo_Count	0
23262349	Isotope_Atom_Count	0
12729372	XLogP3-AA	0.7
5460541	Undefined_Atom_Stereo_Count	0
103609	Undefined_Bond_Stereo_Count	0
667484	TPSA	44.1
73292	Tautomer_Count	3
5858	Defined_Atom_Stereo_Count	6
3242895	Undefined_Bond_Stereo_Count	0
7806	Structure_Complexity	66.9
11395145	Tautomer_Count	1
17840535	Defined_Atom_Stereo_Count	0
56955186	Undefined_Bond_Stereo_Count	0
4992	Covalent_Unit_Count	1
123673485	Defined_Bond_Stereo_Count	0
1669	Mono_Isotopic_Weight	167.094628657
206693	Defined_Atom_Stereo_Count	0
146159909	Isotope_Atom_Count	0
13130885	Non-hydrogen_Atom_Count	6
76198	Undefined_Atom_Stereo_Count	0
6325	Rotatable_Bond_Count	0
10335364	Isotope_Atom_Count	0
984454	XLogP3-AA	5.4
22490432	Molecular_Weight	189.21
53348188	Rotatable_Bond_Count	15
3034047	Total_Formal_Charge	0
15928	Exact_Mass	108.081324323
10246418	Isotope_Atom_Count	0
13738255	Mono_Isotopic_Weight	99.068413911
28830	Covalent_Unit_Count	2
9850878	Mono_Isotopic_Weight	564.35969394
6429113	Total_Formal_Charge	0
15575619	Undefined_Bond_Stereo_Count	0
1545	Exact_Mass	198.0295011
5984	Rotatable_Bond_Count	5
9821849	Molecular_Weight	391.5
459140	Exact_Mass	314.105527694
445375	Non-hydrogen_Atom_Count	9
9562059	Hydrogen_Bond_Donor_Count	8
60983	Molecular_Weight	128.17
345367	Defined_Bond_Stereo_Count	0
3752	Mono_Isotopic_Weight	255.0078506
448601	Molecular_Weight	1019.2
14813	Non-hydrogen_Atom_Count	7
650960	Non-hydrogen_Atom_Count	34
4740700	Exact_Mass	149.060254526
11611	Hydrogen_Bond_Donor_Count	0
57159129	Undefined_Bond_Stereo_Count	0
13115325	Defined_Bond_Stereo_Count	0
67681	TPSA	20.2
44237094	XLogP3-AA	3.1
94350	Defined_Bond_Stereo_Count	0
6435507	Structure_Complexity	858
9823293	Defined_Bond_Stereo_Count	0
5310985	Molecular_Weight	308.4
10981485	Hydrogen_Bond_Donor_Count	1
81166	Defined_Bond_Stereo_Count	0
700865	Isotope_Atom_Count	0
61996	Tautomer_Count	1
445382	Defined_Atom_Stereo_Count	5
12884652	Rotatable_Bond_Count	1
21932698	Covalent_Unit_Count	1
84645	Defined_Bond_Stereo_Count	0
86876	Defined_Atom_Stereo_Count	0
163954674	Mono_Isotopic_Weight	110.084398327
2009	Non-hydrogen_Atom_Count	15
135411	Exact_Mass	398.18819469
11253490	Total_Formal_Charge	0
69986	Defined_Bond_Stereo_Count	0
4830	Hydrogen_Bond_Donor_Count	1
25062766	Undefined_Atom_Stereo_Count	0
2728077	Undefined_Atom_Stereo_Count	0
1257	TPSA	31.9
135565674	TPSA	152
21948548	Molecular_Weight	120.11
14644523	Hydrogen_Bond_Acceptor_Count	2
90469695	Undefined_Bond_Stereo_Count	0
129734884	Undefined_Bond_Stereo_Count	0
48733	Structure_Complexity	351
409350	Covalent_Unit_Count	1
6992039	Rotatable_Bond_Count	5
6046	Non-hydrogen_Atom_Count	8
38911	Structure_Complexity	335
158550	Defined_Atom_Stereo_Count	4
20011	Structure_Complexity	224
73455777	Mono_Isotopic_Weight	112.088815002
102059952	Rotatable_Bond_Count	10
9547928	Hydrogen_Bond_Acceptor_Count	9
2513	Molecular_Weight	138.00
5022	Undefined_Bond_Stereo_Count	0
71672	Mono_Isotopic_Weight	466.35190596
71312335	Rotatable_Bond_Count	11
91936863	Total_Formal_Charge	0
40185	XLogP3-AA	0.2
793	Covalent_Unit_Count	1
6030	Undefined_Bond_Stereo_Count	0
5324	Defined_Atom_Stereo_Count	0
522606	Exact_Mass	121.9382805
100962	Tautomer_Count	1
739	Structure_Complexity	155
9971484	Undefined_Bond_Stereo_Count	0
164075219	Rotatable_Bond_Count	0
3243927	Total_Formal_Charge	0
916113	Covalent_Unit_Count	1
137203329	Structure_Complexity	205
73513	Covalent_Unit_Count	1
45086609	Exact_Mass	142.074227566
13727	Molecular_Weight	279.8
193991	Molecular_Weight	318.4
12653319	Exact_Mass	117.078978594
7543	Hydrogen_Bond_Donor_Count	2
59398673	Covalent_Unit_Count	1
77014	Covalent_Unit_Count	1
444	Undefined_Bond_Stereo_Count	0
41384	Exact_Mass	380.21336406
23672589	Defined_Atom_Stereo_Count	0
78609	Molecular_Weight	434.5
8797	Undefined_Atom_Stereo_Count	0
122239	Hydrogen_Bond_Donor_Count	1
9847	XLogP3-AA	1.2
256019	Exact_Mass	218.04129354
71485	Mono_Isotopic_Weight	396.014551
22225706	Undefined_Bond_Stereo_Count	0
61908225	Defined_Atom_Stereo_Count	0
74070	Total_Formal_Charge	0
1255	Total_Formal_Charge	0
60724	Non-hydrogen_Atom_Count	18
23663624	Isotope_Atom_Count	0
15541506	Isotope_Atom_Count	0
19350299	Non-hydrogen_Atom_Count	8
4330531	XLogP3-AA	0.6
3011155	Undefined_Bond_Stereo_Count	0
85687	Defined_Bond_Stereo_Count	0
2059	Exact_Mass	336.14739250
17174	Molecular_Weight	110.11
61080	Hydrogen_Bond_Donor_Count	5
1531	Isotope_Atom_Count	0
227112	Defined_Atom_Stereo_Count	0
74440	Mono_Isotopic_Weight	196.06480570
4320947	Undefined_Atom_Stereo_Count	3
10560335	Undefined_Bond_Stereo_Count	0
119259	Hydrogen_Bond_Donor_Count	3
21650627	Rotatable_Bond_Count	1
20265292	XLogP3-AA	0
365938	Molecular_Weight	385.8
85689	Total_Formal_Charge	0
18505590	Defined_Bond_Stereo_Count	0
41019	Isotope_Atom_Count	0
6328685	Undefined_Atom_Stereo_Count	0
14425	Non-hydrogen_Atom_Count	24
59059038	Defined_Bond_Stereo_Count	0
5243	Molecular_Weight	437.4
78293	Covalent_Unit_Count	1
71580822	Structure_Complexity	689
162268759	Non-hydrogen_Atom_Count	6
146158432	Exact_Mass	531.24683176
83818	Mono_Isotopic_Weight	417.1584211
76991	Undefined_Bond_Stereo_Count	0
3134071	Defined_Bond_Stereo_Count	0
7017747	Covalent_Unit_Count	1
101616631	Total_Formal_Charge	0
8458	Molecular_Weight	217.20
98810	Rotatable_Bond_Count	5
31260	Hydrogen_Bond_Donor_Count	1
11040661	Hydrogen_Bond_Acceptor_Count	2
22213349	Exact_Mass	102.079312947
87106789	Isotope_Atom_Count	0
22507733	Covalent_Unit_Count	1
37442	Undefined_Bond_Stereo_Count	0
78759283	Undefined_Bond_Stereo_Count	0
66156	Exact_Mass	203.9576748
24642	Undefined_Atom_Stereo_Count	0
68490	Undefined_Atom_Stereo_Count	0
140143509	Non-hydrogen_Atom_Count	7
11734	Structure_Complexity	61.8
92303	Structure_Complexity	448
86790	Molecular_Weight	250.31
74889155	Hydrogen_Bond_Donor_Count	1
88767	Molecular_Weight	355.3
71986	Hydrogen_Bond_Acceptor_Count	4
53422654	Total_Formal_Charge	0
14480677	Structure_Complexity	355
12242802	Hydrogen_Bond_Donor_Count	1
5281701	TPSA	127
54582972	Defined_Bond_Stereo_Count	0
564654	Defined_Bond_Stereo_Count	0
54403482	Rotatable_Bond_Count	0
14642	Undefined_Atom_Stereo_Count	0
2457	Hydrogen_Bond_Acceptor_Count	2
10964	Covalent_Unit_Count	1
7029	Structure_Complexity	193
18620262	Undefined_Atom_Stereo_Count	0
135398570	Defined_Bond_Stereo_Count	0
65442	Defined_Bond_Stereo_Count	0
446934	Undefined_Atom_Stereo_Count	0
73920	Covalent_Unit_Count	1
4347	Hydrogen_Bond_Acceptor_Count	4
2378095	Covalent_Unit_Count	1
1951	Non-hydrogen_Atom_Count	40
4227	Hydrogen_Bond_Acceptor_Count	4
11226090	Defined_Bond_Stereo_Count	0
129796181	Non-hydrogen_Atom_Count	7
72200065	Non-hydrogen_Atom_Count	42
59712821	Hydrogen_Bond_Donor_Count	0
13577	TPSA	20.2
20970	Molecular_Weight	106.21
26445	Isotope_Atom_Count	0
54676715	Defined_Bond_Stereo_Count	0
580566	Molecular_Weight	140.26
4584	Defined_Bond_Stereo_Count	0
15020	Exact_Mass	304.240230259
1560	Defined_Atom_Stereo_Count	0
9841259	Undefined_Atom_Stereo_Count	0
5459361	Hydrogen_Bond_Acceptor_Count	11
101921	Hydrogen_Bond_Donor_Count	1
3047822	XLogP3-AA	0.5
78130	TPSA	20.2
445127	Molecular_Weight	911.7
21915946	Total_Formal_Charge	0
62705860	Hydrogen_Bond_Acceptor_Count	8
87826555	Rotatable_Bond_Count	3
92626	Isotope_Atom_Count	0
10994	Structure_Complexity	104
60822	Total_Formal_Charge	0
61012	Hydrogen_Bond_Donor_Count	0
40652	Covalent_Unit_Count	1
143051390	Rotatable_Bond_Count	2
11675994	Tautomer_Count	1
8402	Covalent_Unit_Count	1
17001	Isotope_Atom_Count	0
69359	Covalent_Unit_Count	1
40308	Tautomer_Count	1
11057	Hydrogen_Bond_Donor_Count	0
91429	TPSA	45.6
66509091	Undefined_Bond_Stereo_Count	0
92024228	Hydrogen_Bond_Donor_Count	4
25353	Isotope_Atom_Count	0
3034655	Isotope_Atom_Count	0
5431	Rotatable_Bond_Count	8
2806	Hydrogen_Bond_Acceptor_Count	4
23347	Non-hydrogen_Atom_Count	12
36274	Defined_Atom_Stereo_Count	0
33036	Undefined_Atom_Stereo_Count	0
23694217	Exact_Mass	426.16881878
98365	Hydrogen_Bond_Acceptor_Count	2
23680396	Non-hydrogen_Atom_Count	38
6420040	Structure_Complexity	308
11768503	Total_Formal_Charge	0
25132613	Rotatable_Bond_Count	4
138442	Defined_Atom_Stereo_Count	0
11672491	Total_Formal_Charge	0
1438150	Defined_Atom_Stereo_Count	0
13473	Non-hydrogen_Atom_Count	22
86601564	Undefined_Bond_Stereo_Count	0
57190391	Covalent_Unit_Count	1
439260	Isotope_Atom_Count	0
838	Molecular_Weight	183.20
14819	Defined_Atom_Stereo_Count	0
63075	Total_Formal_Charge	0
63179	TPSA	63
70190	Structure_Complexity	49.7
51987	Isotope_Atom_Count	0
657087	Defined_Atom_Stereo_Count	1
51047	Undefined_Atom_Stereo_Count	2
90843502	Mono_Isotopic_Weight	112.052429494
12865495	Defined_Bond_Stereo_Count	0
57565875	Undefined_Atom_Stereo_Count	0
544588	Isotope_Atom_Count	0
1549622	Rotatable_Bond_Count	4
265520	Covalent_Unit_Count	1
61828	Undefined_Atom_Stereo_Count	0
9815326	Hydrogen_Bond_Donor_Count	2
71726	XLogP3-AA	1.2
1299	TPSA	113
136254592	Structure_Complexity	1110
151194	Defined_Atom_Stereo_Count	0
23677832	Tautomer_Count	1
1946	Undefined_Atom_Stereo_Count	0
86138	Mono_Isotopic_Weight	336.1141743
138335	Covalent_Unit_Count	1
71624469	Hydrogen_Bond_Acceptor_Count	4
7825	Hydrogen_Bond_Donor_Count	0
67495	Exact_Mass	198.05032149
166718	TPSA	27.3
5755	Hydrogen_Bond_Donor_Count	3
13597081	Molecular_Weight	102.13
87163	Exact_Mass	124.074896272
12672	Undefined_Atom_Stereo_Count	0
70686982	Isotope_Atom_Count	0
54583932	TPSA	54.3
6999801	Covalent_Unit_Count	1
447945	Defined_Atom_Stereo_Count	1
74080	Hydrogen_Bond_Acceptor_Count	2
45788576	Mono_Isotopic_Weight	111.068413911
157736	Defined_Bond_Stereo_Count	0
18462872	Structure_Complexity	103
11493598	Total_Formal_Charge	0
238288	Structure_Complexity	93.9
25271884	Undefined_Bond_Stereo_Count	0
4906599	Undefined_Bond_Stereo_Count	0
20658615	Molecular_Weight	112.13
130313	Tautomer_Count	2
23690449	Hydrogen_Bond_Acceptor_Count	6
57349445	Exact_Mass	110.048012819
135546259	Hydrogen_Bond_Donor_Count	7
18539784	Defined_Bond_Stereo_Count	0
60044069	XLogP3-AA	2.5
260708	Defined_Bond_Stereo_Count	0
12284127	Undefined_Bond_Stereo_Count	0
398597	Defined_Bond_Stereo_Count	0
67578175	Covalent_Unit_Count	1
10309899	TPSA	124
3724921	Mono_Isotopic_Weight	114.104465066
7963	Total_Formal_Charge	0
2950966	Non-hydrogen_Atom_Count	15
163962080	Covalent_Unit_Count	1
129784240	Exact_Mass	110.02286070
71307087	Non-hydrogen_Atom_Count	20
32551	Defined_Atom_Stereo_Count	0
75112	Isotope_Atom_Count	0
12870	Undefined_Bond_Stereo_Count	0
6450813	Mono_Isotopic_Weight	376.09939694
596091	Mono_Isotopic_Weight	220.146329876
144895707	Structure_Complexity	113
2775641	Covalent_Unit_Count	1
193965	Tautomer_Count	2
102242605	Undefined_Atom_Stereo_Count	0
3030770	Defined_Atom_Stereo_Count	0
12205098	Undefined_Atom_Stereo_Count	0
507806	TPSA	105
8470	Covalent_Unit_Count	1
9467	Tautomer_Count	1
86209	Tautomer_Count	2
87300	Defined_Atom_Stereo_Count	0
60698	XLogP3-AA	3.1
41376	Undefined_Bond_Stereo_Count	0
11463807	Isotope_Atom_Count	0
25006	Hydrogen_Bond_Acceptor_Count	1
90707927	Structure_Complexity	139
9818540	Hydrogen_Bond_Donor_Count	2
81129	Exact_Mass	183.95238
12295520	Exact_Mass	110.084398327
78160	Rotatable_Bond_Count	5
493662	Molecular_Weight	1139.3
4292413	Hydrogen_Bond_Donor_Count	0
11051814	Structure_Complexity	116
4534	Undefined_Atom_Stereo_Count	2
101255680	Non-hydrogen_Atom_Count	31
41114	Total_Formal_Charge	0
159563	Hydrogen_Bond_Donor_Count	2
26421	XLogP3-AA	1
71652	Defined_Atom_Stereo_Count	0
3115	Defined_Atom_Stereo_Count	0
53885557	Defined_Atom_Stereo_Count	0
650960	Covalent_Unit_Count	1
91143491	Exact_Mass	99.068413911
637760	Non-hydrogen_Atom_Count	16
93189	Undefined_Atom_Stereo_Count	0
13010294	Non-hydrogen_Atom_Count	8
138961	Exact_Mass	97.052763847
5281232	TPSA	74.6
43594	Molecular_Weight	542.6
2264	XLogP3-AA	1.6
20521791	Defined_Atom_Stereo_Count	0
38127	Structure_Complexity	545
424353	Undefined_Atom_Stereo_Count	3
12465459	Non-hydrogen_Atom_Count	8
135409409	Covalent_Unit_Count	1
89127533	Non-hydrogen_Atom_Count	8
8087	Non-hydrogen_Atom_Count	9
44521024	Undefined_Bond_Stereo_Count	0
75064	Defined_Atom_Stereo_Count	0
23654	Structure_Complexity	125
1650	Total_Formal_Charge	0
2147	Rotatable_Bond_Count	0
77058	Non-hydrogen_Atom_Count	7
54751657	Exact_Mass	493.1615779
7233	Hydrogen_Bond_Donor_Count	1
67151	Mono_Isotopic_Weight	174.136827821
10877079	Structure_Complexity	93.4
5831	Hydrogen_Bond_Donor_Count	1
449381	Non-hydrogen_Atom_Count	20
1325	Isotope_Atom_Count	0
533848	Undefined_Atom_Stereo_Count	0
68263	Undefined_Bond_Stereo_Count	0
44154493	Total_Formal_Charge	0
155903767	XLogP3-AA	7.5
87998	Non-hydrogen_Atom_Count	15
11105356	Undefined_Atom_Stereo_Count	0
71076901	Defined_Bond_Stereo_Count	0
447956	Covalent_Unit_Count	1
9812790	Isotope_Atom_Count	0
33755	Structure_Complexity	235
101630689	Defined_Bond_Stereo_Count	0
223866	Exact_Mass	408.20490738
49849523	Structure_Complexity	415
22137184	Total_Formal_Charge	0
6540277	Undefined_Atom_Stereo_Count	0
250629	Rotatable_Bond_Count	0
70702306	Molecular_Weight	385.5
136240586	Hydrogen_Bond_Acceptor_Count	6
21793339	Rotatable_Bond_Count	0
2997881	Molecular_Weight	210.30
12507024	Undefined_Atom_Stereo_Count	1
56955285	Hydrogen_Bond_Donor_Count	1
75548	Isotope_Atom_Count	0
23995	Exact_Mass	89.904699
25137870	Exact_Mass	505.2011307
36666	Structure_Complexity	405
9746	Defined_Bond_Stereo_Count	0
60668	Molecular_Weight	668.5
11457675	Defined_Atom_Stereo_Count	0
16129710	Structure_Complexity	3980
21945	Undefined_Atom_Stereo_Count	0
137553930	Rotatable_Bond_Count	4
833466	Total_Formal_Charge	0
16211948	Total_Formal_Charge	0
44392148	Rotatable_Bond_Count	9
129717505	Molecular_Weight	201.22
14523486	Exact_Mass	406.04159
2734232	Molecular_Weight	307.5
2733984	Molecular_Weight	110.16
1141	Exact_Mass	126.068079557
59002381	Defined_Bond_Stereo_Count	0
57915	Tautomer_Count	1
16186010	Undefined_Bond_Stereo_Count	0
86790	Rotatable_Bond_Count	2
87481476	Covalent_Unit_Count	1
37631	Defined_Bond_Stereo_Count	0
4478250	Covalent_Unit_Count	1
2376	Molecular_Weight	367.4
123634	Defined_Atom_Stereo_Count	17
15938971	Isotope_Atom_Count	0
9625	Covalent_Unit_Count	1
118087148	Undefined_Bond_Stereo_Count	0
60196265	Covalent_Unit_Count	3
519539	Hydrogen_Bond_Donor_Count	0
1807	Hydrogen_Bond_Acceptor_Count	4
14626857	Defined_Bond_Stereo_Count	0
11714580	Total_Formal_Charge	0
68414798	Rotatable_Bond_Count	5
22096	Hydrogen_Bond_Donor_Count	0
7118	Structure_Complexity	127
15322	Isotope_Atom_Count	0
4436967	Molecular_Weight	390.32
77288	Hydrogen_Bond_Acceptor_Count	1
11007859	Exact_Mass	114.042927438
8012	Hydrogen_Bond_Acceptor_Count	1
44310743	Total_Formal_Charge	0
5281404	Isotope_Atom_Count	0
143035	Isotope_Atom_Count	0
129713762	TPSA	40.5
4323	Rotatable_Bond_Count	10
9572720	Undefined_Atom_Stereo_Count	0
3597	Total_Formal_Charge	0
15208	Total_Formal_Charge	0
71742706	Structure_Complexity	103
141289	Molecular_Weight	94.15
9985155	Mono_Isotopic_Weight	555.23693578
17560	Hydrogen_Bond_Donor_Count	3
10493936	Hydrogen_Bond_Donor_Count	1
150762	TPSA	117
5960	Non-hydrogen_Atom_Count	9
91697	Non-hydrogen_Atom_Count	12
58055	Undefined_Bond_Stereo_Count	0
16683	Hydrogen_Bond_Donor_Count	0
51556	Hydrogen_Bond_Acceptor_Count	9
135434844	Rotatable_Bond_Count	24
295283	Covalent_Unit_Count	1
10725321	Undefined_Atom_Stereo_Count	1
15209807	Undefined_Bond_Stereo_Count	0
909860	Covalent_Unit_Count	1
114845	Non-hydrogen_Atom_Count	2
2864	TPSA	108
16134956	Tautomer_Count	1000
11596660	Defined_Atom_Stereo_Count	0
11633804	Defined_Atom_Stereo_Count	1
75502	XLogP3	7.5
140123	Hydrogen_Bond_Donor_Count	0
6433208	Undefined_Atom_Stereo_Count	0
3833333	Hydrogen_Bond_Acceptor_Count	5
23663992	Defined_Bond_Stereo_Count	1
5459124	Hydrogen_Bond_Acceptor_Count	6
12302688	Undefined_Bond_Stereo_Count	0
135423770	Undefined_Bond_Stereo_Count	0
284980	Exact_Mass	217.9901349
68120	Defined_Atom_Stereo_Count	0
123642	Hydrogen_Bond_Acceptor_Count	4
99477	Tautomer_Count	3
92210	XLogP3-AA	1.2
70693263	Undefined_Atom_Stereo_Count	0
67164	Structure_Complexity	34.5
11655511	Total_Formal_Charge	0
11027582	Exact_Mass	506.97095
9798	Isotope_Atom_Count	0
25271860	Hydrogen_Bond_Acceptor_Count	2
132971	Isotope_Atom_Count	0
224753	Defined_Atom_Stereo_Count	0
139062042	Defined_Atom_Stereo_Count	1
69004	Hydrogen_Bond_Donor_Count	0
76469	Isotope_Atom_Count	0
15485370	Undefined_Bond_Stereo_Count	0
5281969	Molecular_Weight	347.5
12429703	Covalent_Unit_Count	1
54175107	Exact_Mass	99.104799419
53834604	TPSA	18.5
5364509	Non-hydrogen_Atom_Count	21
1326	Undefined_Atom_Stereo_Count	0
485092	Non-hydrogen_Atom_Count	7
5859	Mono_Isotopic_Weight	325.02075196
9808235	Hydrogen_Bond_Donor_Count	0
117266253	Defined_Bond_Stereo_Count	0
136097	Exact_Mass	111.104799419
91693	Molecular_Weight	284.18
66487	Hydrogen_Bond_Acceptor_Count	5
17318	TPSA	54
104735	Covalent_Unit_Count	1
130026107	Covalent_Unit_Count	1
16738693	Defined_Atom_Stereo_Count	2
5284530	Hydrogen_Bond_Donor_Count	3
7054	Hydrogen_Bond_Acceptor_Count	2
16473	Undefined_Atom_Stereo_Count	0
71820	Mono_Isotopic_Weight	361.14051
5497186	Defined_Atom_Stereo_Count	4
6083100	TPSA	38.3
2384	Undefined_Atom_Stereo_Count	0
12264	Undefined_Atom_Stereo_Count	0
131747	Undefined_Atom_Stereo_Count	0
34553	Covalent_Unit_Count	1
14919832	Structure_Complexity	85.6
10898638	Undefined_Atom_Stereo_Count	1
16685262	Exact_Mass	57.9999281
21668201	Mono_Isotopic_Weight	299.07700353
55851	Non-hydrogen_Atom_Count	20
44629522	Undefined_Bond_Stereo_Count	0
37612	Rotatable_Bond_Count	3
24228	Non-hydrogen_Atom_Count	22
161166	Exact_Mass	208.08479225
77676	TPSA	51.8
54178	Hydrogen_Bond_Acceptor_Count	4
6530	Total_Formal_Charge	0
87905888	Covalent_Unit_Count	1
162461	Molecular_Weight	213.27
178103	Undefined_Bond_Stereo_Count	0
18730041	Non-hydrogen_Atom_Count	7
10171487	TPSA	73.4
23167053	Rotatable_Bond_Count	2
1935	TPSA	38.9
14889074	Undefined_Bond_Stereo_Count	0
71849	Structure_Complexity	275
91750	Hydrogen_Bond_Donor_Count	2
460516	Mono_Isotopic_Weight	244.08076950
9787	Structure_Complexity	1350
73919	Non-hydrogen_Atom_Count	16
8080	Undefined_Bond_Stereo_Count	0
278580	Undefined_Atom_Stereo_Count	4
11416891	Non-hydrogen_Atom_Count	23
163190000	Mono_Isotopic_Weight	668.33625590
4168	Defined_Atom_Stereo_Count	0
440552	Hydrogen_Bond_Donor_Count	5
11051613	Rotatable_Bond_Count	2
19910037	Structure_Complexity	81.8
156619387	Molecular_Weight	1345.4
135421783	Isotope_Atom_Count	0
8046	Mono_Isotopic_Weight	314.24570956
11646	Tautomer_Count	1
93001	Hydrogen_Bond_Donor_Count	4
2415	Total_Formal_Charge	0
4345	Total_Formal_Charge	0
90827926	Hydrogen_Bond_Acceptor_Count	1
74680	Defined_Atom_Stereo_Count	0
572065	Covalent_Unit_Count	1
6808	Total_Formal_Charge	0
34332	Isotope_Atom_Count	0
44560574	Covalent_Unit_Count	1
292	Defined_Bond_Stereo_Count	0
171257	Covalent_Unit_Count	2
440927	Undefined_Atom_Stereo_Count	0
24867561	Defined_Atom_Stereo_Count	3
33672	Exact_Mass	454.11985760
23727982	Hydrogen_Bond_Acceptor_Count	5
11936	Defined_Atom_Stereo_Count	0
67258371	Rotatable_Bond_Count	0
135398599	Isotope_Atom_Count	0
297812	Hydrogen_Bond_Donor_Count	8
54467044	Structure_Complexity	104
141627366	Defined_Atom_Stereo_Count	0
71008	XLogP3-AA	3
15649173	Rotatable_Bond_Count	2
441558	Structure_Complexity	147
4578	Defined_Atom_Stereo_Count	0
14992	Undefined_Atom_Stereo_Count	0
96707	XLogP3	0
98626	Undefined_Bond_Stereo_Count	0
136090	Exact_Mass	104.062600255
19100566	Mono_Isotopic_Weight	101.084063974
519793	Tautomer_Count	1
135398592	Hydrogen_Bond_Donor_Count	4
11470068	Structure_Complexity	133
5284554	Hydrogen_Bond_Donor_Count	5
139246511	Rotatable_Bond_Count	8
121397587	Hydrogen_Bond_Acceptor_Count	10
134150175	Defined_Bond_Stereo_Count	0
118193	Molecular_Weight	128.21
46782942	Non-hydrogen_Atom_Count	25
14510844	Mono_Isotopic_Weight	115.063328530
117273842	Defined_Atom_Stereo_Count	0
53917786	Molecular_Weight	113.08
11575	Mono_Isotopic_Weight	203.94360
135398560	TPSA	204
118984445	Hydrogen_Bond_Acceptor_Count	91
76428	TPSA	45.8
141365	Hydrogen_Bond_Donor_Count	1
68303	Hydrogen_Bond_Donor_Count	0
946793	Exact_Mass	324.14739250
9798098	Rotatable_Bond_Count	7
60056	TPSA	207
9833444	TPSA	486
41936	Defined_Atom_Stereo_Count	0
4469994	TPSA	113
181052	XLogP3-AA	3.3
26662	Defined_Bond_Stereo_Count	0
82185	Tautomer_Count	6
62880	Covalent_Unit_Count	2
4658	XLogP3-AA	4.5
57397762	Undefined_Atom_Stereo_Count	0
1399	Non-hydrogen_Atom_Count	44
148241675	Defined_Atom_Stereo_Count	0
79707	TPSA	14.4
105144	Mono_Isotopic_Weight	105.90348
91820194	TPSA	121
53630039	Exact_Mass	90.031694049
39722	Molecular_Weight	255.74
107349	Defined_Atom_Stereo_Count	0
70821	Structure_Complexity	219
24901141	Hydrogen_Bond_Acceptor_Count	6
688378	Structure_Complexity	346
1977386	XLogP3-AA	3.4
53709010	Non-hydrogen_Atom_Count	13
224	Mono_Isotopic_Weight	347.06308480
10931369	Isotope_Atom_Count	0
93192	Hydrogen_Bond_Donor_Count	2
28718	Undefined_Bond_Stereo_Count	0
69280558	TPSA	61.4
98047	Structure_Complexity	179
68737	Isotope_Atom_Count	0
84986	Defined_Atom_Stereo_Count	0
51346455	Mono_Isotopic_Weight	474.19910855
74599	Non-hydrogen_Atom_Count	8
7820	Tautomer_Count	1
44201376	Hydrogen_Bond_Acceptor_Count	8
2136	Isotope_Atom_Count	0
9941306	Hydrogen_Bond_Donor_Count	12
11163584	XLogP3-AA	0.6
2477	Mono_Isotopic_Weight	385.24777525
22134406	Hydrogen_Bond_Acceptor_Count	3
6418147	Undefined_Bond_Stereo_Count	0
60196407	Defined_Atom_Stereo_Count	1
24086	Defined_Atom_Stereo_Count	5
42928	Molecular_Weight	237.64
14710	Exact_Mass	393.08406
91936858	Total_Formal_Charge	0
84647703	Total_Formal_Charge	0
31297	Exact_Mass	113.9542282
23377620	Isotope_Atom_Count	0
57358782	Molecular_Weight	416.6
136335	Undefined_Atom_Stereo_Count	0
12664700	Undefined_Atom_Stereo_Count	1
11051586	Defined_Bond_Stereo_Count	0
3392731	Non-hydrogen_Atom_Count	35
830140	Rotatable_Bond_Count	3
25019176	Hydrogen_Bond_Donor_Count	6
12266	Hydrogen_Bond_Acceptor_Count	1
135942119	TPSA	297
44443938	Undefined_Atom_Stereo_Count	0
38282	Defined_Bond_Stereo_Count	0
14900	Undefined_Bond_Stereo_Count	0
5281616	Total_Formal_Charge	0
153551539	Defined_Bond_Stereo_Count	0
15053	Undefined_Bond_Stereo_Count	0
465951	Exact_Mass	353.12094084
57399438	Exact_Mass	416.31512653
60196425	Isotope_Atom_Count	0
72199430	Total_Formal_Charge	1
129016768	Total_Formal_Charge	0
11372270	Molecular_Weight	375.3
91895934	Hydrogen_Bond_Acceptor_Count	9
54598431	Hydrogen_Bond_Acceptor_Count	4
97995	TPSA	20.2
9046	Structure_Complexity	613
67916	Rotatable_Bond_Count	1
24883467	Rotatable_Bond_Count	4
20695	TPSA	41.5
71679410	Exact_Mass	419.34787550
3548422	Covalent_Unit_Count	1
7233	Covalent_Unit_Count	1
53694406	XLogP3-AA	2.8
140809	Defined_Bond_Stereo_Count	0
53448504	Defined_Atom_Stereo_Count	0
66119	Hydrogen_Bond_Donor_Count	0
141770945	Hydrogen_Bond_Acceptor_Count	1
18601660	Defined_Atom_Stereo_Count	5
46174070	Undefined_Bond_Stereo_Count	0
5068775	Mono_Isotopic_Weight	100.100048391
57064571	Undefined_Bond_Stereo_Count	1
19104	Exact_Mass	335.188529040
78576	Molecular_Weight	189.26
123964	Undefined_Bond_Stereo_Count	0
58645437	Undefined_Bond_Stereo_Count	0
70697656	XLogP3	3
23262897	Hydrogen_Bond_Donor_Count	0
76513	Undefined_Atom_Stereo_Count	0
16757678	Defined_Atom_Stereo_Count	1
138031	Undefined_Bond_Stereo_Count	0
14685	Defined_Bond_Stereo_Count	0
5280373	Undefined_Bond_Stereo_Count	0
72618469	Defined_Bond_Stereo_Count	0
4583497	Undefined_Atom_Stereo_Count	2
448812	Undefined_Atom_Stereo_Count	0
57406717	Covalent_Unit_Count	1
3173542	Hydrogen_Bond_Donor_Count	0
80102	Tautomer_Count	1
9869218	TPSA	96.9
30668	Undefined_Atom_Stereo_Count	1
71449989	Structure_Complexity	505
46244883	Molecular_Weight	424.5
56463	Covalent_Unit_Count	1
34208	Covalent_Unit_Count	1
57341	XLogP3-AA	4.8
11116293	Undefined_Bond_Stereo_Count	0
2734646	Covalent_Unit_Count	1
15660	Hydrogen_Bond_Acceptor_Count	2
83167	Undefined_Bond_Stereo_Count	0
22020761	Rotatable_Bond_Count	2
344793	Undefined_Atom_Stereo_Count	1
122172547	Undefined_Atom_Stereo_Count	0
11962412	Hydrogen_Bond_Acceptor_Count	5
46631	XLogP3-AA	1.3
112239	TPSA	26.3
97769	Structure_Complexity	103
45040316	Hydrogen_Bond_Acceptor_Count	4
62311	Defined_Bond_Stereo_Count	0
68557	Isotope_Atom_Count	0
25245437	Molecular_Weight	688.7
67	Isotope_Atom_Count	0
67387401	Defined_Atom_Stereo_Count	0
138106567	Structure_Complexity	1120
59279784	Undefined_Bond_Stereo_Count	0
153835411	XLogP3-AA	1.4
20274687	Rotatable_Bond_Count	0
19017820	Defined_Bond_Stereo_Count	0
11538455	Covalent_Unit_Count	1
847429	Isotope_Atom_Count	0
12475877	Undefined_Bond_Stereo_Count	0
12746	Defined_Atom_Stereo_Count	0
18377	Covalent_Unit_Count	1
151093	Hydrogen_Bond_Acceptor_Count	6
6539029	Undefined_Bond_Stereo_Count	0
315341	Total_Formal_Charge	0
58098237	Defined_Atom_Stereo_Count	0
77470	Hydrogen_Bond_Donor_Count	1
44338979	TPSA	167
652	Defined_Bond_Stereo_Count	0
11954258	Molecular_Weight	667.8
21887748	TPSA	24.7
57473238	Mono_Isotopic_Weight	97.027611728
12444348	Undefined_Bond_Stereo_Count	0
91301203	Isotope_Atom_Count	0
9964065	Total_Formal_Charge	0
16049769	Undefined_Bond_Stereo_Count	0
105031	Defined_Atom_Stereo_Count	0
73707	XLogP3-AA	5.5
60335	Molecular_Weight	262.43
60154330	Defined_Atom_Stereo_Count	0
5624	Defined_Atom_Stereo_Count	0
122820	Defined_Bond_Stereo_Count	0
16996	Total_Formal_Charge	0
142059572	XLogP3-AA	1.5
7557	Exact_Mass	146.073164938
2723772	Structure_Complexity	119
2418	Isotope_Atom_Count	0
44214615	Undefined_Atom_Stereo_Count	0
12596780	Defined_Atom_Stereo_Count	0
9549904	Defined_Atom_Stereo_Count	3
22061628	Defined_Bond_Stereo_Count	0
276561	Rotatable_Bond_Count	0
79483	Undefined_Bond_Stereo_Count	0
10662	Covalent_Unit_Count	1
138107735	Defined_Atom_Stereo_Count	4
82185	Molecular_Weight	115.13
28102	Exact_Mass	341.1757714
5288252	TPSA	111
7685	Hydrogen_Bond_Acceptor_Count	2
15322	Mono_Isotopic_Weight	279.97490
90712721	Defined_Bond_Stereo_Count	0
23677974	Hydrogen_Bond_Donor_Count	3
122081	Undefined_Bond_Stereo_Count	0
3045225	Mono_Isotopic_Weight	243.137162174
82736	Mono_Isotopic_Weight	96.068748264
53432920	Undefined_Atom_Stereo_Count	0
119716	Isotope_Atom_Count	0
4413	Structure_Complexity	552
10198924	Defined_Bond_Stereo_Count	0
5311221	Non-hydrogen_Atom_Count	31
71072118	XLogP3-AA	3.9
3395	Undefined_Bond_Stereo_Count	0
23354329	Total_Formal_Charge	0
1219	Exact_Mass	247.193614421
12971	Tautomer_Count	1
637541	Undefined_Atom_Stereo_Count	0
17231	XLogP3	5
46224600	Exact_Mass	1633.5887776
24848413	Exact_Mass	1072.15680793
7380	Total_Formal_Charge	0
12544003	Molecular_Weight	100.16
19802062	Exact_Mass	101.047678466
62105	Undefined_Atom_Stereo_Count	2
193653	Defined_Atom_Stereo_Count	1
289151	Total_Formal_Charge	0
77918	Rotatable_Bond_Count	2
20684386	TPSA	20.2
145721938	Mono_Isotopic_Weight	589.14023
616201	Undefined_Atom_Stereo_Count	2
643221	Defined_Bond_Stereo_Count	0
5281515	Non-hydrogen_Atom_Count	15
68617	Non-hydrogen_Atom_Count	20
54678431	Structure_Complexity	681
15104	Structure_Complexity	192
21896450	Mono_Isotopic_Weight	111.032028402
5715107	Mono_Isotopic_Weight	186.079312947
10466908	TPSA	62.2
17994152	Molecular_Weight	62.07
12871376	XLogP3-AA	0.9
54550804	Exact_Mass	109.052763847
11446296	TPSA	40.5
90887873	Covalent_Unit_Count	1
130035834	TPSA	37.3
67811115	Molecular_Weight	114.14
6197820	Hydrogen_Bond_Acceptor_Count	6
71339	TPSA	128
12313776	Isotope_Atom_Count	0
101082	Defined_Bond_Stereo_Count	0
81391	Hydrogen_Bond_Acceptor_Count	4
12500939	Molecular_Weight	100.16
10909493	Covalent_Unit_Count	1
12025	Hydrogen_Bond_Donor_Count	1
8113	Non-hydrogen_Atom_Count	7
38972	Total_Formal_Charge	0
16693	Defined_Bond_Stereo_Count	0
10458325	Undefined_Bond_Stereo_Count	0
11948807	Undefined_Atom_Stereo_Count	0
14315	TPSA	0
123732032	XLogP3-AA	0.9
10197650	Undefined_Bond_Stereo_Count	0
5695	Molecular_Weight	643.4
3392	Undefined_Atom_Stereo_Count	9
139070837	Non-hydrogen_Atom_Count	24
24461	Defined_Bond_Stereo_Count	0
9830615	Hydrogen_Bond_Donor_Count	7
141011968	Mono_Isotopic_Weight	107.02319505
68991415	Structure_Complexity	74.5
143719689	Defined_Atom_Stereo_Count	0
72887	Exact_Mass	128.094963011
176505	Undefined_Atom_Stereo_Count	2
70734	Undefined_Bond_Stereo_Count	0
94834	Defined_Atom_Stereo_Count	0
22260381	Covalent_Unit_Count	1
12642471	Defined_Atom_Stereo_Count	0
138275	Structure_Complexity	138
76092	Non-hydrogen_Atom_Count	11
2331	Defined_Bond_Stereo_Count	0
46856376	Non-hydrogen_Atom_Count	8
8287	Hydrogen_Bond_Donor_Count	0
3811882	XLogP3-AA	0.9
131003005	Non-hydrogen_Atom_Count	8
59844561	Molecular_Weight	547.6
60196404	Hydrogen_Bond_Donor_Count	1
70403801	Molecular_Weight	228.27
26176	Molecular_Weight	327.6
17163	TPSA	21.8
22718913	Isotope_Atom_Count	0
64692	Rotatable_Bond_Count	5
22084	Hydrogen_Bond_Donor_Count	0
11019447	Non-hydrogen_Atom_Count	12
88142236	Defined_Atom_Stereo_Count	0
6806	Molecular_Weight	556.86
7283	Undefined_Atom_Stereo_Count	1
5954	Tautomer_Count	1
59703148	Rotatable_Bond_Count	1
53766125	Exact_Mass	117.042593085
9120	Defined_Atom_Stereo_Count	0
12268621	Mono_Isotopic_Weight	113.047678466
19810797	Molecular_Weight	116.16
72092	Undefined_Bond_Stereo_Count	0
50538	Non-hydrogen_Atom_Count	21
130150414	Mono_Isotopic_Weight	118.02660867
68944676	Defined_Bond_Stereo_Count	0
14493	TPSA	2
220820	Hydrogen_Bond_Donor_Count	0
453326	Undefined_Atom_Stereo_Count	0
68648	Molecular_Weight	292.4
118855423	Exact_Mass	479.08648575
11412	Non-hydrogen_Atom_Count	8
5257437	Isotope_Atom_Count	0
71426	Structure_Complexity	447
54688693	Covalent_Unit_Count	1
439213	Defined_Atom_Stereo_Count	4
1241301	Total_Formal_Charge	0
81184	Rotatable_Bond_Count	0
54421	Total_Formal_Charge	0
6604042	Structure_Complexity	198
103451510	XLogP3-AA	0.2
83827	Defined_Atom_Stereo_Count	4
1672	Total_Formal_Charge	0
3058839	Hydrogen_Bond_Acceptor_Count	3
21490213	Hydrogen_Bond_Acceptor_Count	2
13389	Covalent_Unit_Count	1
13593925	Exact_Mass	108.093900383
57549	Defined_Bond_Stereo_Count	0
69049742	Undefined_Bond_Stereo_Count	0
21864164	Isotope_Atom_Count	0
11182569	Covalent_Unit_Count	1
91788	Undefined_Atom_Stereo_Count	1
11865410	Isotope_Atom_Count	0
134694983	Exact_Mass	805.56637496
68669	Isotope_Atom_Count	0
6437064	Undefined_Atom_Stereo_Count	0
14660056	Molecular_Weight	102.13
208925	Mono_Isotopic_Weight	186.161979940
66793	Hydrogen_Bond_Acceptor_Count	4
941650	Structure_Complexity	711
163940225	Non-hydrogen_Atom_Count	8
15807221	Isotope_Atom_Count	0
21836527	Mono_Isotopic_Weight	111.032028402
156599239	Total_Formal_Charge	0
446222	Mono_Isotopic_Weight	133.07389321
12614	Molecular_Weight	108.18
12536	Non-hydrogen_Atom_Count	30
1223	Total_Formal_Charge	0
7517	Undefined_Atom_Stereo_Count	0
9101	Undefined_Bond_Stereo_Count	0
101102794	TPSA	404
54710743	Covalent_Unit_Count	2
26618	Isotope_Atom_Count	0
57681561	Covalent_Unit_Count	1
5655	Structure_Complexity	464
69674601	XLogP3-AA	0.2
60988	Defined_Bond_Stereo_Count	0
91435	Undefined_Bond_Stereo_Count	0
50112	Undefined_Atom_Stereo_Count	9
11108673	XLogP3-AA	4.7
121207425	Covalent_Unit_Count	1
24883	Defined_Bond_Stereo_Count	0
25235992	Undefined_Atom_Stereo_Count	1
137228068	Covalent_Unit_Count	1
7846	Undefined_Bond_Stereo_Count	0
295261	Undefined_Atom_Stereo_Count	0
7567	Molecular_Weight	254.37
157355	Covalent_Unit_Count	1
94180	Defined_Atom_Stereo_Count	0
2730	Mono_Isotopic_Weight	348.926284
63047	Non-hydrogen_Atom_Count	34
76823989	Molecular_Weight	98.14
12076	Hydrogen_Bond_Acceptor_Count	5
11115032	Exact_Mass	666.22185834
11561674	Hydrogen_Bond_Donor_Count	1
30815	Undefined_Bond_Stereo_Count	0
33	Undefined_Atom_Stereo_Count	0
60919	Isotope_Atom_Count	0
67356	Molecular_Weight	510.4
205586	Covalent_Unit_Count	1
15271	Rotatable_Bond_Count	4
24247	Non-hydrogen_Atom_Count	5
135413511	Undefined_Atom_Stereo_Count	0
138669688	Exact_Mass	764.3738198
572717	Exact_Mass	109.089149355
14587284	Hydrogen_Bond_Acceptor_Count	3
6683	TPSA	94.8
7040	Covalent_Unit_Count	1
57148	Mono_Isotopic_Weight	269.08004122
101417753	TPSA	43.4
574489	Isotope_Atom_Count	0
9334	Covalent_Unit_Count	2
70516989	Hydrogen_Bond_Donor_Count	1
66751	Molecular_Weight	234.33
7120	Hydrogen_Bond_Donor_Count	1
11769095	Isotope_Atom_Count	0
108196	Covalent_Unit_Count	1
135510215	Hydrogen_Bond_Acceptor_Count	5
6999030	Molecular_Weight	213.19
12544552	Rotatable_Bond_Count	3
24802149	Exact_Mass	180.06338810
3209	Isotope_Atom_Count	0
44244962	TPSA	77.4
56665393	Rotatable_Bond_Count	10
13217239	Total_Formal_Charge	0
124031779	Molecular_Weight	98.14
542882	Structure_Complexity	194
58420727	Total_Formal_Charge	0
25128834	XLogP3-AA	1.4
55286536	Defined_Bond_Stereo_Count	0
11061169	Hydrogen_Bond_Acceptor_Count	5
14116047	Total_Formal_Charge	0
20055408	Undefined_Atom_Stereo_Count	0
78858	Molecular_Weight	171.22
6956334	Exact_Mass	385.03991
87469572	TPSA	17.1
11717001	Molecular_Weight	334.4
5388961	Total_Formal_Charge	0
521701	Defined_Bond_Stereo_Count	0
123304022	Defined_Bond_Stereo_Count	0
12097423	Molecular_Weight	110.11
78352	Defined_Bond_Stereo_Count	0
12959020	Isotope_Atom_Count	0
154825561	Total_Formal_Charge	0
23663979	Hydrogen_Bond_Acceptor_Count	6
108013	Molecular_Weight	414.56
71857	Hydrogen_Bond_Acceptor_Count	7
11088	Structure_Complexity	352
21830223	Undefined_Atom_Stereo_Count	0
45544	Tautomer_Count	1
10034579	TPSA	32.3
102533	Isotope_Atom_Count	0
45488108	Undefined_Atom_Stereo_Count	0
98442	Isotope_Atom_Count	0
70694228	Undefined_Bond_Stereo_Count	0
49769064	Undefined_Atom_Stereo_Count	5
24848323	Non-hydrogen_Atom_Count	16
5351564	Molecular_Weight	400.3
23667548	Defined_Bond_Stereo_Count	0
140999	Isotope_Atom_Count	0
9793	Defined_Bond_Stereo_Count	0
2942	Total_Formal_Charge	0
1232710	Hydrogen_Bond_Acceptor_Count	4
25101755	Covalent_Unit_Count	1
51397515	Non-hydrogen_Atom_Count	37
11661757	Covalent_Unit_Count	2
9571109	Mono_Isotopic_Weight	395.068258
20729555	Undefined_Atom_Stereo_Count	0
13236258	Mono_Isotopic_Weight	99.068413911
5320867	Mono_Isotopic_Weight	324.183778013
3649	Defined_Atom_Stereo_Count	0
64930	TPSA	116
91486118	Isotope_Atom_Count	0
44571224	Molecular_Weight	415.4
3970	Covalent_Unit_Count	1
241793	Hydrogen_Bond_Donor_Count	2
20220664	Structure_Complexity	86.5
76	Mono_Isotopic_Weight	288.208930132
62580	Covalent_Unit_Count	1
154183660	Rotatable_Bond_Count	2
44593340	Rotatable_Bond_Count	26
21058	Total_Formal_Charge	0
20209050	TPSA	46.6
90425973	Hydrogen_Bond_Donor_Count	1
6914282	Structure_Complexity	798
45356876	Mono_Isotopic_Weight	504.25233168
93418	Hydrogen_Bond_Donor_Count	5
208907	Structure_Complexity	387
53581	Defined_Atom_Stereo_Count	1
76121	Non-hydrogen_Atom_Count	6
567600	Isotope_Atom_Count	0
7366	Defined_Atom_Stereo_Count	0
8203	Non-hydrogen_Atom_Count	21
49787020	Hydrogen_Bond_Acceptor_Count	17
135419182	Undefined_Atom_Stereo_Count	0
57398257	Total_Formal_Charge	0
15480319	Undefined_Atom_Stereo_Count	0
62705860	Exact_Mass	425.12119258
30143	Mono_Isotopic_Weight	250.00847
12600	Hydrogen_Bond_Donor_Count	6
123359989	Defined_Atom_Stereo_Count	0
556684	Rotatable_Bond_Count	0
5282203	Defined_Atom_Stereo_Count	0
135705228	Non-hydrogen_Atom_Count	36
643835	Exact_Mass	84.093900383
71443	Non-hydrogen_Atom_Count	13
739374	Defined_Atom_Stereo_Count	0
731747	Hydrogen_Bond_Acceptor_Count	5
87114	Undefined_Bond_Stereo_Count	0
151449	TPSA	20.2
75406672	Total_Formal_Charge	0
25913	Isotope_Atom_Count	0
10796	TPSA	63.2
65776	Molecular_Weight	350.5
39356	Defined_Bond_Stereo_Count	0
24879665	Defined_Atom_Stereo_Count	8
67330085	TPSA	169
18718394	Mono_Isotopic_Weight	88.016043985
11294	Total_Formal_Charge	0
124604	Rotatable_Bond_Count	5
70693519	TPSA	80.4
5905	Total_Formal_Charge	0
126280	Undefined_Atom_Stereo_Count	0
15185934	Isotope_Atom_Count	0
25201614	Hydrogen_Bond_Acceptor_Count	4
5709	Hydrogen_Bond_Acceptor_Count	1
78320408	Mono_Isotopic_Weight	518.25047541
55298881	Mono_Isotopic_Weight	101.084063974
538774	Defined_Atom_Stereo_Count	0
57229732	Non-hydrogen_Atom_Count	8
10031812	Molecular_Weight	620.7
46841789	Structure_Complexity	808
6433586	Hydrogen_Bond_Donor_Count	6
6933329	Undefined_Bond_Stereo_Count	0
57341	Hydrogen_Bond_Acceptor_Count	4
519846	XLogP3-AA	0.7
72373	Molecular_Weight	234.4
14324	Exact_Mass	181.110278721
77372	Covalent_Unit_Count	1
22224184	Total_Formal_Charge	0
4921	Defined_Bond_Stereo_Count	0
11004	Covalent_Unit_Count	1
68530	Exact_Mass	156.0106942
99080	Defined_Bond_Stereo_Count	0
448653	Tautomer_Count	1
68807700	Hydrogen_Bond_Donor_Count	2
22227092	Exact_Mass	96.057514874
6432217	Total_Formal_Charge	0
10290728	Hydrogen_Bond_Acceptor_Count	1
9297	Total_Formal_Charge	0
12993402	Structure_Complexity	351
8882	Rotatable_Bond_Count	0
442866	Hydrogen_Bond_Donor_Count	5
15034633	Defined_Bond_Stereo_Count	0
24743	Structure_Complexity	369
157706	Hydrogen_Bond_Donor_Count	1
8468	Undefined_Atom_Stereo_Count	0
12068306	Mono_Isotopic_Weight	94.078250319
11751549	Undefined_Bond_Stereo_Count	0
135391139	Undefined_Atom_Stereo_Count	0
19402	Exact_Mass	374.0709720
668508	Undefined_Bond_Stereo_Count	1
97127	Undefined_Atom_Stereo_Count	0
3036931	Total_Formal_Charge	0
15208461	Undefined_Bond_Stereo_Count	0
9806063	Non-hydrogen_Atom_Count	34
24153	Tautomer_Count	1
54583840	Undefined_Atom_Stereo_Count	0
932	Exact_Mass	272.06847348
6507	Total_Formal_Charge	0
70634430	Hydrogen_Bond_Acceptor_Count	2
5324	Hydrogen_Bond_Donor_Count	3
13973648	Non-hydrogen_Atom_Count	10
167451	Rotatable_Bond_Count	5
129834146	Non-hydrogen_Atom_Count	15
28540	Rotatable_Bond_Count	4
414773	Structure_Complexity	66.6
141678430	Mono_Isotopic_Weight	342.11621151
12107	TPSA	29.1
26318	Rotatable_Bond_Count	0
47170034	Total_Formal_Charge	0
15232	Hydrogen_Bond_Donor_Count	6
16891	Molecular_Weight	242.27
527511	Defined_Bond_Stereo_Count	0
13795010	Covalent_Unit_Count	1
143291	Hydrogen_Bond_Donor_Count	2
246	Total_Formal_Charge	0
122623	Isotope_Atom_Count	0
11748	Undefined_Bond_Stereo_Count	0
88365	Undefined_Atom_Stereo_Count	0
54891	Non-hydrogen_Atom_Count	33
12285863	Non-hydrogen_Atom_Count	12
3032361	Hydrogen_Bond_Acceptor_Count	2
13444041	TPSA	45
71312582	Isotope_Atom_Count	62
10189783	Molecular_Weight	652.5
96522	Molecular_Weight	151.16
53434235	Defined_Atom_Stereo_Count	0
129651751	Defined_Atom_Stereo_Count	0
15981895	Hydrogen_Bond_Acceptor_Count	8
208907	Exact_Mass	272.152477885
5901	Non-hydrogen_Atom_Count	17
11455910	XLogP3-AA	7.8
23664361	Hydrogen_Bond_Donor_Count	3
904857	TPSA	26.3
71584054	Undefined_Bond_Stereo_Count	0
9009	Tautomer_Count	1
101094784	Mono_Isotopic_Weight	384.19367399
53822679	Structure_Complexity	76.1
48955	Undefined_Bond_Stereo_Count	0
613570	TPSA	12.9
91180913	Covalent_Unit_Count	1
25011	TPSA	18.5
61523	Molecular_Weight	164.24
91620	Undefined_Atom_Stereo_Count	0
72492	Hydrogen_Bond_Acceptor_Count	17
122706054	Hydrogen_Bond_Acceptor_Count	20
7228	Non-hydrogen_Atom_Count	17
23668516	Structure_Complexity	63.4
139044268	Hydrogen_Bond_Acceptor_Count	2
54680692	Rotatable_Bond_Count	3
16663248	Total_Formal_Charge	0
57399651	Total_Formal_Charge	0
18278	Hydrogen_Bond_Donor_Count	4
153948	Total_Formal_Charge	0
8271	Mono_Isotopic_Weight	246.10044231
72221005	Hydrogen_Bond_Acceptor_Count	3
3152	Exact_Mass	379.21474379
33256	Undefined_Bond_Stereo_Count	0
84647652	Structure_Complexity	68.3
673970	Isotope_Atom_Count	0
2724640	TPSA	63.3
5102882	Molecular_Weight	216.12
70614444	TPSA	75.7
54186	XLogP3-AA	3.5
6067	Defined_Bond_Stereo_Count	0
52918019	Structure_Complexity	367
72221005	Molecular_Weight	95.10
54075	Total_Formal_Charge	0
210172	TPSA	53.1
23681223	Molecular_Weight	506.86
17819	Hydrogen_Bond_Acceptor_Count	2
7135	Hydrogen_Bond_Acceptor_Count	2
15032	Rotatable_Bond_Count	1
54311466	Mono_Isotopic_Weight	103.063328530
97868	Defined_Bond_Stereo_Count	0
14496	XLogP3-AA	0
7111	Isotope_Atom_Count	0
8534	Defined_Bond_Stereo_Count	0
12200971	Undefined_Atom_Stereo_Count	1
44176380	Covalent_Unit_Count	3
49871818	Covalent_Unit_Count	1
91176619	Hydrogen_Bond_Donor_Count	0
114946	Covalent_Unit_Count	1
131254	Rotatable_Bond_Count	11
17852300	Hydrogen_Bond_Acceptor_Count	2
131845588	Defined_Atom_Stereo_Count	0
3710788	Total_Formal_Charge	0
5464110	Undefined_Atom_Stereo_Count	0
26191	Hydrogen_Bond_Donor_Count	2
10224595	Defined_Bond_Stereo_Count	0
9304	Structure_Complexity	300
4039	Covalent_Unit_Count	1
154417	XLogP3	1.8
163050684	Covalent_Unit_Count	1
15560749	TPSA	60.2
443073	Molecular_Weight	119.12
165367985	Hydrogen_Bond_Acceptor_Count	14
60931	Molecular_Weight	393.5
18327244	Molecular_Weight	287.4
5284349	Defined_Bond_Stereo_Count	0
30781	Undefined_Atom_Stereo_Count	1
24556	Hydrogen_Bond_Acceptor_Count	4
47660	Isotope_Atom_Count	0
95187	Hydrogen_Bond_Acceptor_Count	4
15689273	Undefined_Atom_Stereo_Count	0
706	Mono_Isotopic_Weight	382.13102722
94784	Defined_Atom_Stereo_Count	0
102029	Hydrogen_Bond_Donor_Count	1
8363	Mono_Isotopic_Weight	228.078644241
41377	Non-hydrogen_Atom_Count	17
692587	XLogP3-AA	4.7
42642645	Mono_Isotopic_Weight	632.24464114
154353878	Undefined_Atom_Stereo_Count	0
135410875	Non-hydrogen_Atom_Count	31
53967	Defined_Atom_Stereo_Count	0
129600762	Total_Formal_Charge	0
69632	Defined_Bond_Stereo_Count	0
636523	Non-hydrogen_Atom_Count	16
885959	XLogP3-AA	3.1
2777165	Defined_Bond_Stereo_Count	0
57370827	Tautomer_Count	1
51200	Mono_Isotopic_Weight	236.094963011
101640759	Rotatable_Bond_Count	6
53435617	Molecular_Weight	290.3
92938	Defined_Bond_Stereo_Count	0
258618	Defined_Atom_Stereo_Count	0
39178	Covalent_Unit_Count	1
96424	Non-hydrogen_Atom_Count	23
11285	Total_Formal_Charge	0
83476	Exact_Mass	190.146998583
49659	Hydrogen_Bond_Acceptor_Count	7
46830487	Isotope_Atom_Count	0
6386	Molecular_Weight	74.12
440064	Covalent_Unit_Count	1
54719543	Mono_Isotopic_Weight	589.37404364
57394195	Undefined_Bond_Stereo_Count	0
37631	Mono_Isotopic_Weight	179.094628657
12248569	Covalent_Unit_Count	1
60196403	Isotope_Atom_Count	0
5324	Covalent_Unit_Count	1
89356917	Undefined_Bond_Stereo_Count	0
133611834	XLogP3	3.1
299882	Non-hydrogen_Atom_Count	8
127516	Tautomer_Count	9
69333681	Structure_Complexity	87.4
5284329	Molecular_Weight	520.6
57185798	Structure_Complexity	99.1
132282752	Hydrogen_Bond_Acceptor_Count	18
71365	Hydrogen_Bond_Donor_Count	2
16305	Structure_Complexity	162
66615626	Covalent_Unit_Count	1
5451	Defined_Bond_Stereo_Count	0
11818	XLogP3	2.8
12560725	Defined_Bond_Stereo_Count	0
14231	TPSA	40.5
147740	Tautomer_Count	90
36272	Structure_Complexity	710
47387	Defined_Atom_Stereo_Count	0
44458766	Molecular_Weight	275.3
71321561	Undefined_Bond_Stereo_Count	0
4736391	Undefined_Atom_Stereo_Count	0
122612	Tautomer_Count	1
132305	Exact_Mass	375.16818752
22280261	Structure_Complexity	70.5
5779	Total_Formal_Charge	0
3067270	Non-hydrogen_Atom_Count	24
446156	Isotope_Atom_Count	0
118014937	Undefined_Bond_Stereo_Count	0
656321	Hydrogen_Bond_Donor_Count	1
7370	Mono_Isotopic_Weight	157.01974964
65948	Hydrogen_Bond_Donor_Count	2
13691769	Mono_Isotopic_Weight	188.03342538
10560336	Rotatable_Bond_Count	2
96393	TPSA	38
6918331	Hydrogen_Bond_Donor_Count	2
67314475	Exact_Mass	109.063997236
12190	Exact_Mass	120.078644241
634493	Hydrogen_Bond_Donor_Count	0
4994	XLogP3-AA	1
11181	Molecular_Weight	100.12
265520	Mono_Isotopic_Weight	61.016378338
61420	Isotope_Atom_Count	0
23723027	Undefined_Bond_Stereo_Count	0
90843502	Non-hydrogen_Atom_Count	8
5494414	Hydrogen_Bond_Acceptor_Count	7
31116	Tautomer_Count	8
90476206	Hydrogen_Bond_Acceptor_Count	9
12303424	Structure_Complexity	273
10311	TPSA	174
14230	XLogP3-AA	1
5354133	Mono_Isotopic_Weight	312.26644501
11208660	Undefined_Bond_Stereo_Count	0
66702	Exact_Mass	240.00924453
10351178	Isotope_Atom_Count	0
78014	Mono_Isotopic_Weight	109.063997236
60196408	Defined_Atom_Stereo_Count	1
25079425	Total_Formal_Charge	0
497377	Rotatable_Bond_Count	5
7440	Structure_Complexity	153
657055	Rotatable_Bond_Count	1
53851	Non-hydrogen_Atom_Count	23
57079767	Undefined_Bond_Stereo_Count	0
157839	Rotatable_Bond_Count	4
3687	Total_Formal_Charge	0
25162926	Rotatable_Bond_Count	6
3002820	Hydrogen_Bond_Donor_Count	0
19778718	Defined_Atom_Stereo_Count	0
13225428	Rotatable_Bond_Count	2
228	Mono_Isotopic_Weight	427.01989983
887798	Total_Formal_Charge	0
60904070	Hydrogen_Bond_Donor_Count	0
11021530	Hydrogen_Bond_Donor_Count	0
12270516	Undefined_Bond_Stereo_Count	0
48104	Structure_Complexity	276
21067	Covalent_Unit_Count	1
5311505	Rotatable_Bond_Count	5
4740700	Isotope_Atom_Count	0
5327065	Total_Formal_Charge	0
139145	Structure_Complexity	409
3796640	Mono_Isotopic_Weight	265.13274550
74096	Isotope_Atom_Count	0
3015	Undefined_Atom_Stereo_Count	8
65464	Exact_Mass	345.1607901
68554	TPSA	49.7
214347	Defined_Bond_Stereo_Count	0
444254	TPSA	321
71587119	Hydrogen_Bond_Acceptor_Count	21
188914	Structure_Complexity	212
625277	TPSA	35.5
439231	Undefined_Bond_Stereo_Count	0
4630913	Defined_Bond_Stereo_Count	0
23661981	Defined_Atom_Stereo_Count	0
439195	Covalent_Unit_Count	1
8168	Molecular_Weight	213.40
74245	XLogP3-AA	6.4
53001	Structure_Complexity	252
54160766	Defined_Atom_Stereo_Count	0
65701	Defined_Atom_Stereo_Count	0
46936900	Defined_Atom_Stereo_Count	3
12556904	Defined_Bond_Stereo_Count	0
130026605	Defined_Atom_Stereo_Count	0
18336916	Covalent_Unit_Count	1
27464	Hydrogen_Bond_Acceptor_Count	8
69333672	Mono_Isotopic_Weight	108.032362755
6919173	Structure_Complexity	240
12539007	Isotope_Atom_Count	0
25249	Mono_Isotopic_Weight	328.251463648
8985	Mono_Isotopic_Weight	150.05282342
10486817	Structure_Complexity	104
11527635	Covalent_Unit_Count	1
620625	XLogP3-AA	1
6433892	TPSA	43.4
136784	Hydrogen_Bond_Acceptor_Count	3
3951	Defined_Bond_Stereo_Count	0
9908927	XLogP3-AA	5
4141	Undefined_Bond_Stereo_Count	0
67156338	Total_Formal_Charge	0
70693585	Rotatable_Bond_Count	6
222212	Hydrogen_Bond_Donor_Count	0
71588332	XLogP3-AA	4.2
29681	Hydrogen_Bond_Acceptor_Count	4
238	Molecular_Weight	507.18
15951505	Hydrogen_Bond_Acceptor_Count	13
2776	Non-hydrogen_Atom_Count	24
45266908	Hydrogen_Bond_Acceptor_Count	19
16219784	Mono_Isotopic_Weight	530.28796829
91250151	TPSA	17.1
71873	Covalent_Unit_Count	2
76704897	Undefined_Atom_Stereo_Count	3
83826166	Rotatable_Bond_Count	3
15737685	Hydrogen_Bond_Donor_Count	0
373949	Molecular_Weight	156.25
156592059	Total_Formal_Charge	0
107917	Defined_Bond_Stereo_Count	0
58618968	Undefined_Bond_Stereo_Count	1
6537490	Hydrogen_Bond_Acceptor_Count	4
21615038	Non-hydrogen_Atom_Count	8
11377266	Mono_Isotopic_Weight	652.25532631
6918638	TPSA	104
66908038	Covalent_Unit_Count	1
40467016	Total_Formal_Charge	0
6918146	Defined_Atom_Stereo_Count	0
9543090	Covalent_Unit_Count	1
71352	Isotope_Atom_Count	0
132598553	TPSA	27.6
158182	Isotope_Atom_Count	0
8936	Hydrogen_Bond_Acceptor_Count	12
6451144	Tautomer_Count	1
12517392	Undefined_Atom_Stereo_Count	0
73246	Mono_Isotopic_Weight	535.17368407
24478	TPSA	98
82047	Isotope_Atom_Count	0
610169	TPSA	26
135460621	Total_Formal_Charge	0
130035834	Undefined_Bond_Stereo_Count	0
1534	Defined_Atom_Stereo_Count	0
30295	Structure_Complexity	219
66509054	Isotope_Atom_Count	0
2576	Hydrogen_Bond_Acceptor_Count	4
1393	Mono_Isotopic_Weight	524.40800060
13436	Exact_Mass	218.02239267
66119	XLogP3-AA	0.2
10352112	Defined_Bond_Stereo_Count	0
638083	Covalent_Unit_Count	1
5289419	Defined_Atom_Stereo_Count	0
10975431	Rotatable_Bond_Count	1
21941444	Isotope_Atom_Count	0
8066	Defined_Bond_Stereo_Count	0
92110	Non-hydrogen_Atom_Count	31
59421472	Undefined_Bond_Stereo_Count	0
1548994	Non-hydrogen_Atom_Count	35
103648	TPSA	17.1
81207	Covalent_Unit_Count	1
149229	Structure_Complexity	130
55286004	Undefined_Atom_Stereo_Count	1
60196412	TPSA	146
10877070	Isotope_Atom_Count	0
36383	Undefined_Atom_Stereo_Count	0
70430	Isotope_Atom_Count	0
1550823	Undefined_Atom_Stereo_Count	0
2734678	Structure_Complexity	159
18171	Isotope_Atom_Count	0
52950127	Mono_Isotopic_Weight	397.16018325
11163893	Defined_Atom_Stereo_Count	0
28031	Defined_Bond_Stereo_Count	0
46863	Mono_Isotopic_Weight	234.961448
85763	TPSA	60.7
88008	Covalent_Unit_Count	2
54370822	Mono_Isotopic_Weight	102.079312947
11527661	Non-hydrogen_Atom_Count	37
81760	Undefined_Atom_Stereo_Count	0
118183199	Hydrogen_Bond_Acceptor_Count	2
21490223	Hydrogen_Bond_Donor_Count	1
83095	Mono_Isotopic_Weight	168.0301698
83086	Hydrogen_Bond_Acceptor_Count	2
90996709	Hydrogen_Bond_Acceptor_Count	1
643189	Undefined_Bond_Stereo_Count	0
73537	Covalent_Unit_Count	1
5742631	Defined_Bond_Stereo_Count	0
439285	Defined_Bond_Stereo_Count	0
135449331	Tautomer_Count	15
397	Tautomer_Count	3
152821976	Isotope_Atom_Count	0
97783	Exact_Mass	216.17254462
6918485	Hydrogen_Bond_Acceptor_Count	8
11656518	Rotatable_Bond_Count	5
9962911	Hydrogen_Bond_Acceptor_Count	16
8168	Exact_Mass	213.245649993
6337614	Non-hydrogen_Atom_Count	22
142772	Non-hydrogen_Atom_Count	32
57505392	Defined_Bond_Stereo_Count	0
107901	Hydrogen_Bond_Acceptor_Count	4
451415	Exact_Mass	811.34151998
9279	Covalent_Unit_Count	2
31423	Non-hydrogen_Atom_Count	16
99894	Rotatable_Bond_Count	2
58247682	Exact_Mass	97.089149355
6433516	Tautomer_Count	1
135444779	Undefined_Atom_Stereo_Count	1
17754007	Mono_Isotopic_Weight	200.04962974
44395089	Non-hydrogen_Atom_Count	44
78477	Defined_Atom_Stereo_Count	0
132862	Structure_Complexity	193
6918293	Rotatable_Bond_Count	7
9180	Defined_Atom_Stereo_Count	0
31923	Molecular_Weight	341.5
5314058	Isotope_Atom_Count	0
604152	Mono_Isotopic_Weight	201.115364102
156369283	Exact_Mass	196.146329876
23158703	Mono_Isotopic_Weight	387.15426879
1516	Isotope_Atom_Count	0
11858153	TPSA	138
126686768	Covalent_Unit_Count	1
10678199	Isotope_Atom_Count	0
54890	Undefined_Bond_Stereo_Count	0
12510709	Structure_Complexity	77.6
11976122	Total_Formal_Charge	0
139584807	Non-hydrogen_Atom_Count	18
20767656	Rotatable_Bond_Count	0
5810	Undefined_Atom_Stereo_Count	0
59483380	Undefined_Atom_Stereo_Count	1
589314	Undefined_Bond_Stereo_Count	0
3140955	Hydrogen_Bond_Acceptor_Count	5
2724629	Defined_Atom_Stereo_Count	2
12914157	Total_Formal_Charge	0
100524	Isotope_Atom_Count	0
58270057	Undefined_Bond_Stereo_Count	0
71675	Defined_Bond_Stereo_Count	0
23667636	Non-hydrogen_Atom_Count	15
2778461	Hydrogen_Bond_Donor_Count	1
3034351	Covalent_Unit_Count	1
599225	Defined_Bond_Stereo_Count	0
17028077	Defined_Bond_Stereo_Count	0
3082781	Hydrogen_Bond_Acceptor_Count	2
55284853	Undefined_Bond_Stereo_Count	0
8155	Exact_Mass	347.3318782
44327552	Hydrogen_Bond_Donor_Count	1
17455	TPSA	74.6
6099959	Mono_Isotopic_Weight	449.9621801
38093	Hydrogen_Bond_Donor_Count	3
129635886	Undefined_Atom_Stereo_Count	0
85843728	TPSA	29.4
817	Hydrogen_Bond_Acceptor_Count	8
69803	Rotatable_Bond_Count	4
86412	XLogP3-AA	2.3
1017	Total_Formal_Charge	0
10242	Defined_Atom_Stereo_Count	0
14989	Mono_Isotopic_Weight	418.12638228
22996964	Hydrogen_Bond_Donor_Count	0
129627537	Mono_Isotopic_Weight	1354.567399
3034287	Mono_Isotopic_Weight	270.0883534
53859791	Non-hydrogen_Atom_Count	15
46937020	TPSA	186
22225791	Hydrogen_Bond_Donor_Count	2
80865	Defined_Atom_Stereo_Count	0
6436173	Structure_Complexity	1590
12468822	Molecular_Weight	113.16
19028568	Defined_Atom_Stereo_Count	0
4788452	Undefined_Bond_Stereo_Count	0
11156438	Molecular_Weight	507.6
59296100	Molecular_Weight	460.9
144381	Defined_Bond_Stereo_Count	0
62960	Defined_Atom_Stereo_Count	2
1752	Rotatable_Bond_Count	8
317	Tautomer_Count	12
21721513	Hydrogen_Bond_Acceptor_Count	0
254081	Defined_Bond_Stereo_Count	0
38	Mono_Isotopic_Weight	146.05790880
13451951	Hydrogen_Bond_Donor_Count	0
70679024	TPSA	86.2
84986	TPSA	31.4
496666	Undefined_Atom_Stereo_Count	1
6604498	Undefined_Bond_Stereo_Count	0
521280	Defined_Bond_Stereo_Count	0
34359	Rotatable_Bond_Count	4
9103	Isotope_Atom_Count	0
102029	Covalent_Unit_Count	1
446124	Structure_Complexity	182
14846	Covalent_Unit_Count	1
98526	Non-hydrogen_Atom_Count	20
23674745	Isotope_Atom_Count	0
140377273	Structure_Complexity	72.9
206527	Total_Formal_Charge	0
3365	Undefined_Atom_Stereo_Count	0
3191	Rotatable_Bond_Count	10
54584708	XLogP3-AA	4.9
19815249	Defined_Atom_Stereo_Count	0
70452	Mono_Isotopic_Weight	87.104799419
13334205	Defined_Atom_Stereo_Count	0
93485	Total_Formal_Charge	0
139113917	Exact_Mass	576.15109601
125520	Molecular_Weight	168.19
10436	Mono_Isotopic_Weight	124.052429494
16665100	Exact_Mass	461.23145648
8653	Tautomer_Count	1
12940701	Hydrogen_Bond_Donor_Count	0
214339	Undefined_Bond_Stereo_Count	1
24202578	Isotope_Atom_Count	0
143009217	Rotatable_Bond_Count	0
712377	Covalent_Unit_Count	1
130125003	Undefined_Atom_Stereo_Count	1
21402940	Total_Formal_Charge	0
21162706	Undefined_Bond_Stereo_Count	0
42539	Tautomer_Count	1
58420421	Defined_Bond_Stereo_Count	0
92922	Undefined_Atom_Stereo_Count	0
6917733	Tautomer_Count	1
61562434	Isotope_Atom_Count	0
5003096	Structure_Complexity	129
10157484	Undefined_Atom_Stereo_Count	0
135492976	Covalent_Unit_Count	1
5253	Molecular_Weight	272.37
53346602	Mono_Isotopic_Weight	116.047344113
10548	Undefined_Bond_Stereo_Count	0
12160932	Covalent_Unit_Count	1
34794	Hydrogen_Bond_Acceptor_Count	2
229932	Hydrogen_Bond_Donor_Count	1
2097	Hydrogen_Bond_Acceptor_Count	3
69732358	Isotope_Atom_Count	0
133562683	TPSA	289
439468	Isotope_Atom_Count	0
67938	Tautomer_Count	1
20056625	Mono_Isotopic_Weight	427.998507
131845646	Exact_Mass	768.00929
31528	Defined_Atom_Stereo_Count	0
23545554	Exact_Mass	112.052429494
171375	Hydrogen_Bond_Donor_Count	4
409471	Defined_Bond_Stereo_Count	0
23277870	Mono_Isotopic_Weight	117.078978594
20279764	Undefined_Atom_Stereo_Count	0
95162412	Hydrogen_Bond_Donor_Count	8
59059060	Mono_Isotopic_Weight	112.04367633
50989726	Covalent_Unit_Count	1
87985	Rotatable_Bond_Count	3
3512	Covalent_Unit_Count	1
4551	Undefined_Bond_Stereo_Count	0
80421	XLogP3-AA	0.6
50100	Covalent_Unit_Count	1
12904	Structure_Complexity	311
1834	Undefined_Atom_Stereo_Count	3
19349372	Hydrogen_Bond_Acceptor_Count	1
32597	TPSA	38.3
71756167	Defined_Atom_Stereo_Count	0
525	Non-hydrogen_Atom_Count	9
59503407	Hydrogen_Bond_Acceptor_Count	6
66093	Rotatable_Bond_Count	4
54746485	Hydrogen_Bond_Donor_Count	7
2766744	Defined_Atom_Stereo_Count	0
11527774	Molecular_Weight	533.1
10448	Structure_Complexity	23.5
49855250	Hydrogen_Bond_Donor_Count	2
13462200	Hydrogen_Bond_Donor_Count	1
10254	Total_Formal_Charge	0
90898717	TPSA	0
41049	Defined_Atom_Stereo_Count	0
87323627	Non-hydrogen_Atom_Count	8
443732	Exact_Mass	71.073499291
67873	XLogP3	3.3
47517	Exact_Mass	267.1026065
619387	Undefined_Atom_Stereo_Count	1
21950	Mono_Isotopic_Weight	366.230728204
12497740	Rotatable_Bond_Count	2
71455278	Isotope_Atom_Count	0
25375	XLogP3-AA	1.5
4653	Molecular_Weight	139.17
13464587	Undefined_Atom_Stereo_Count	0
59742	Molecular_Weight	351.4
57784275	TPSA	51.6
96929	Covalent_Unit_Count	1
25008249	Rotatable_Bond_Count	8
6944	Undefined_Bond_Stereo_Count	0
91488	Total_Formal_Charge	0
18593	TPSA	60.2
240373	Mono_Isotopic_Weight	282.07866149
131954782	Structure_Complexity	2640
7048523	Covalent_Unit_Count	1
12489866	Structure_Complexity	72.5
507806	Rotatable_Bond_Count	5
15571954	Hydrogen_Bond_Donor_Count	4
135406870	Hydrogen_Bond_Acceptor_Count	3
65280	Covalent_Unit_Count	1
20632752	Non-hydrogen_Atom_Count	7
91469693	Mono_Isotopic_Weight	96.057514874
13019068	Defined_Atom_Stereo_Count	3
62706165	Covalent_Unit_Count	1
5378708	Total_Formal_Charge	0
8973	Isotope_Atom_Count	0
9548634	Isotope_Atom_Count	0
439255	Covalent_Unit_Count	1
12682631	Exact_Mass	113.058911855
164513337	Exact_Mass	322.10659032
111318	Structure_Complexity	697
5460769	Covalent_Unit_Count	1
7287	Rotatable_Bond_Count	2
79346	Defined_Atom_Stereo_Count	0
6341	Isotope_Atom_Count	0
24585	Defined_Bond_Stereo_Count	0
201652	Non-hydrogen_Atom_Count	13
129797817	TPSA	46.2
429016	Defined_Bond_Stereo_Count	0
81093	Non-hydrogen_Atom_Count	8
2054	TPSA	102
36312	TPSA	20.2
44480180	Mono_Isotopic_Weight	349.17902698
53320156	Covalent_Unit_Count	1
138506	Isotope_Atom_Count	0
44211	Hydrogen_Bond_Acceptor_Count	3
7722	Non-hydrogen_Atom_Count	9
9715	Defined_Bond_Stereo_Count	0
587	Mono_Isotopic_Weight	211.03580743
5311104	Isotope_Atom_Count	0
18541939	Tautomer_Count	9
71679410	Structure_Complexity	688
102967	Rotatable_Bond_Count	0
7660	Covalent_Unit_Count	1
6992023	Hydrogen_Bond_Acceptor_Count	5
11953897	Total_Formal_Charge	0
156418	TPSA	12
5371102	TPSA	46.5
20063843	TPSA	26.3
17921988	Undefined_Atom_Stereo_Count	1
148651588	Covalent_Unit_Count	1
22212137	Mono_Isotopic_Weight	386.264106985
198068	Undefined_Bond_Stereo_Count	0
170354	Molecular_Weight	465.4
103376402	Undefined_Bond_Stereo_Count	0
5711036	Exact_Mass	179.05171847
709430	Covalent_Unit_Count	1
44183	Defined_Atom_Stereo_Count	0
7080	Undefined_Bond_Stereo_Count	0
53947	Rotatable_Bond_Count	9
6337	TPSA	0
644007	Exact_Mass	289.13140809
9801597	Structure_Complexity	647
28284151	Defined_Bond_Stereo_Count	0
162343997	Total_Formal_Charge	0
92897	Molecular_Weight	414.4
21779240	Non-hydrogen_Atom_Count	22
118984445	Covalent_Unit_Count	1
57364	Hydrogen_Bond_Donor_Count	2
5921	Rotatable_Bond_Count	2
115107	TPSA	41.9
12719155	Undefined_Bond_Stereo_Count	0
36966	Hydrogen_Bond_Donor_Count	2
60155367	Defined_Bond_Stereo_Count	0
17887248	Mono_Isotopic_Weight	85.027611728
15230353	Isotope_Atom_Count	0
65394	Isotope_Atom_Count	0
89162	Covalent_Unit_Count	2
89886	Exact_Mass	572.13804064
20841747	Molecular_Weight	156.14
79323706	Hydrogen_Bond_Donor_Count	1
95876	Molecular_Weight	352.7
36921	Mono_Isotopic_Weight	384.04497858
57782	Exact_Mass	280.15354051
5359327	Undefined_Bond_Stereo_Count	0
23777801	Rotatable_Bond_Count	6
12297	Undefined_Atom_Stereo_Count	1
825229	Covalent_Unit_Count	1
56	Isotope_Atom_Count	0
132862	Molecular_Weight	188.23
439867	Molecular_Weight	342.30
71226662	Total_Formal_Charge	0
135398679	Structure_Complexity	250
54581861	Hydrogen_Bond_Donor_Count	1
25102720	Total_Formal_Charge	0
2665	Hydrogen_Bond_Acceptor_Count	6
8817	Tautomer_Count	1
60167543	Mono_Isotopic_Weight	500.18442974
69873	Total_Formal_Charge	0
2463138	Non-hydrogen_Atom_Count	7
53465848	Structure_Complexity	561
8030	Hydrogen_Bond_Donor_Count	0
594130	XLogP3-AA	3.7
443755	Undefined_Bond_Stereo_Count	0
5515	XLogP3-AA	0.5
9955951	Hydrogen_Bond_Donor_Count	3
61410	TPSA	26.3
7030	Undefined_Atom_Stereo_Count	0
79693	Isotope_Atom_Count	0
7789	Exact_Mass	300.26644501
17531	Undefined_Atom_Stereo_Count	0
5746414	Isotope_Atom_Count	0
11651993	TPSA	113
198212	Structure_Complexity	227
6378649	Exact_Mass	156.115029749
24771	Rotatable_Bond_Count	0
46930997	Isotope_Atom_Count	0
88553883	Undefined_Bond_Stereo_Count	0
122174042	Mono_Isotopic_Weight	827.46672049
23674098	Non-hydrogen_Atom_Count	28
4679	Hydrogen_Bond_Acceptor_Count	9
13493	Molecular_Weight	396.5
52987927	Hydrogen_Bond_Donor_Count	2
107273	Tautomer_Count	1
539001	Total_Formal_Charge	0
135348034	Exact_Mass	111.043261792
22875828	Tautomer_Count	2
11194317	Non-hydrogen_Atom_Count	8
415628	Undefined_Bond_Stereo_Count	0
49862690	Mono_Isotopic_Weight	383.16674822
31481	Defined_Atom_Stereo_Count	0
117938207	Non-hydrogen_Atom_Count	12
11708	Structure_Complexity	61.4
2188	Defined_Bond_Stereo_Count	0
53893636	Hydrogen_Bond_Acceptor_Count	1
16749605	Hydrogen_Bond_Acceptor_Count	1
10776235	Exact_Mass	236.1331784
12749134	Mono_Isotopic_Weight	115.063328530
439286	XLogP3-AA	1.1
24849133	Molecular_Weight	240.75
21075	Covalent_Unit_Count	1
87704872	Undefined_Atom_Stereo_Count	1
57077963	Defined_Atom_Stereo_Count	0
50895	Non-hydrogen_Atom_Count	24
37207	Undefined_Atom_Stereo_Count	0
16084	Defined_Atom_Stereo_Count	0
45794	Defined_Bond_Stereo_Count	0
17963347	Rotatable_Bond_Count	5
32793	Undefined_Atom_Stereo_Count	0
54046302	TPSA	46.2
15420544	Exact_Mass	254.094294304
5354	Undefined_Bond_Stereo_Count	0
6918223	Undefined_Bond_Stereo_Count	0
8902	Rotatable_Bond_Count	4
90258	TPSA	82.8
92039518	Non-hydrogen_Atom_Count	8
68770	Non-hydrogen_Atom_Count	26
7498	Undefined_Atom_Stereo_Count	0
61396	Exact_Mass	379.17969569
558	Undefined_Bond_Stereo_Count	0
317	Defined_Atom_Stereo_Count	0
2426	Isotope_Atom_Count	0
12231381	Undefined_Atom_Stereo_Count	1
18954381	Covalent_Unit_Count	1
446167	Rotatable_Bond_Count	4
59653	Total_Formal_Charge	0
9800555	Rotatable_Bond_Count	6
29228	Defined_Atom_Stereo_Count	0
16129878	Exact_Mass	1700.1729741
91501507	Hydrogen_Bond_Acceptor_Count	0
11174789	Covalent_Unit_Count	1
84647654	Non-hydrogen_Atom_Count	8
39897	TPSA	116
123867503	Defined_Bond_Stereo_Count	0
21492261	Rotatable_Bond_Count	0
54681623	Non-hydrogen_Atom_Count	23
544591	Hydrogen_Bond_Acceptor_Count	0
22676885	Total_Formal_Charge	0
95083	Exact_Mass	225.115364102
58531	Total_Formal_Charge	0
4369325	XLogP3-AA	3.8
15787851	Hydrogen_Bond_Acceptor_Count	3
13751	Defined_Atom_Stereo_Count	0
57526	Isotope_Atom_Count	0
24635	Exact_Mass	367.71231
2568	Hydrogen_Bond_Acceptor_Count	4
61680	Defined_Bond_Stereo_Count	0
72331	Non-hydrogen_Atom_Count	38
11917	Isotope_Atom_Count	0
210172	Mono_Isotopic_Weight	457.1898973
129853561	Covalent_Unit_Count	2
8651	Molecular_Weight	210.23
57060020	Hydrogen_Bond_Acceptor_Count	2
130125724	Molecular_Weight	114.14
8855	Molecular_Weight	106.55
127909	Hydrogen_Bond_Acceptor_Count	4
18628727	Hydrogen_Bond_Acceptor_Count	3
9962	TPSA	0
3312	Undefined_Bond_Stereo_Count	4
53693313	Hydrogen_Bond_Acceptor_Count	2
170317	Isotope_Atom_Count	0
141411141	Rotatable_Bond_Count	0
566455	Non-hydrogen_Atom_Count	14
65328	Covalent_Unit_Count	3
71306415	Structure_Complexity	1550
17499	Hydrogen_Bond_Acceptor_Count	3
68321840	Structure_Complexity	669
102318232	Undefined_Atom_Stereo_Count	0
16212960	Undefined_Bond_Stereo_Count	0
3827	Molecular_Weight	309.4
90877284	XLogP3-AA	2.8
11908489	Mono_Isotopic_Weight	342.11621151
29025	TPSA	17.1
10433653	Rotatable_Bond_Count	5
118210121	Isotope_Atom_Count	0
71300693	Tautomer_Count	54
280526	Undefined_Atom_Stereo_Count	0
12688299	Defined_Bond_Stereo_Count	0
57391205	Hydrogen_Bond_Donor_Count	2
10258659	Isotope_Atom_Count	0
73881	Undefined_Bond_Stereo_Count	0
5222844	Non-hydrogen_Atom_Count	6
51951	Isotope_Atom_Count	0
2724025	Molecular_Weight	137.18
591519	Defined_Atom_Stereo_Count	0
449281	Mono_Isotopic_Weight	607.10531
223	Defined_Atom_Stereo_Count	0
139079243	Defined_Atom_Stereo_Count	0
1505	Isotope_Atom_Count	0
57750315	Hydrogen_Bond_Acceptor_Count	6
222697	Non-hydrogen_Atom_Count	8
13445117	Hydrogen_Bond_Acceptor_Count	2
27448	Defined_Atom_Stereo_Count	0
119380	Structure_Complexity	163
297183	Exact_Mass	108.057514874
77495	Undefined_Atom_Stereo_Count	0
90713931	Covalent_Unit_Count	1
25516	Total_Formal_Charge	0
67349	Defined_Bond_Stereo_Count	0
9420	Defined_Atom_Stereo_Count	0
10118014	XLogP3-AA	1.1
277694	Undefined_Bond_Stereo_Count	0
205324	Mono_Isotopic_Weight	110.048012819
141360553	Hydrogen_Bond_Acceptor_Count	2
4005	Structure_Complexity	809
7495	Defined_Bond_Stereo_Count	0
16135076	Structure_Complexity	2810
84715968	Mono_Isotopic_Weight	97.089149355
10321498	Undefined_Atom_Stereo_Count	0
46841499	Isotope_Atom_Count	0
6432512	Hydrogen_Bond_Acceptor_Count	5
97736	Tautomer_Count	3
126505488	Hydrogen_Bond_Acceptor_Count	5
47576	Undefined_Bond_Stereo_Count	0
66824709	Covalent_Unit_Count	1
45488115	Total_Formal_Charge	0
6918462	Covalent_Unit_Count	1
9952	Exact_Mass	309.21040730
2331	Exact_Mass	121.052763847
14965861	Defined_Atom_Stereo_Count	0
547785	Mono_Isotopic_Weight	120.078644241
56675696	Exact_Mass	422.12127520
8692	Defined_Bond_Stereo_Count	0
2756396	Structure_Complexity	58.3
53699081	Total_Formal_Charge	0
42552694	Rotatable_Bond_Count	4
68704	Defined_Bond_Stereo_Count	0
2774693	Mono_Isotopic_Weight	112.027277375
68503	Covalent_Unit_Count	1
8186	Hydrogen_Bond_Donor_Count	0
295258	Rotatable_Bond_Count	4
139510	Rotatable_Bond_Count	0
22178808	XLogP3-AA	16
24866733	Undefined_Atom_Stereo_Count	0
23058060	XLogP3-AA	1.7
38035	Exact_Mass	255.961333
102366731	Rotatable_Bond_Count	3
23422050	Covalent_Unit_Count	1
27282	Undefined_Atom_Stereo_Count	4
34474	Hydrogen_Bond_Donor_Count	0
21635253	Undefined_Atom_Stereo_Count	2
23664984	TPSA	95.1
69952	XLogP3-AA	1.5
14526	Undefined_Bond_Stereo_Count	0
445639	Isotope_Atom_Count	0
261790	Tautomer_Count	1
59648875	Rotatable_Bond_Count	2
42334	Undefined_Atom_Stereo_Count	2
334657	Rotatable_Bond_Count	6
71481120	Undefined_Bond_Stereo_Count	0
28950993	Undefined_Bond_Stereo_Count	0
122174042	Non-hydrogen_Atom_Count	58
23389448	Isotope_Atom_Count	0
47965	Isotope_Atom_Count	0
5918	Isotope_Atom_Count	0
8799	Hydrogen_Bond_Donor_Count	2
4308	Tautomer_Count	2
67568	Hydrogen_Bond_Acceptor_Count	2
83645	Molecular_Weight	240.29
166918	Exact_Mass	264.910451
14767815	Mono_Isotopic_Weight	116.083729621
22817455	Defined_Atom_Stereo_Count	4
12476687	Covalent_Unit_Count	1
11957707	TPSA	50.2
16270	Rotatable_Bond_Count	2
7618	Tautomer_Count	1
936	Exact_Mass	122.048012819
57519510	Total_Formal_Charge	0
12919209	XLogP3-AA	0.5
46173707	Hydrogen_Bond_Donor_Count	11
757435	Rotatable_Bond_Count	5
440175	Covalent_Unit_Count	1
10072	Undefined_Bond_Stereo_Count	0
19774759	TPSA	46.3
74440	Isotope_Atom_Count	0
26235	Non-hydrogen_Atom_Count	21
56020	TPSA	55.6
129694674	Hydrogen_Bond_Acceptor_Count	1
57081543	Hydrogen_Bond_Donor_Count	1
116161184	Covalent_Unit_Count	1
54680783	XLogP3-AA	1.7
10798	Hydrogen_Bond_Acceptor_Count	1
19193	Defined_Atom_Stereo_Count	0
398593	Exact_Mass	293.14666
131801164	Hydrogen_Bond_Donor_Count	2
20578853	Undefined_Atom_Stereo_Count	2
14758064	Defined_Bond_Stereo_Count	0
17779280	Covalent_Unit_Count	1
23568701	Covalent_Unit_Count	1
136502	Non-hydrogen_Atom_Count	7
11203271	Defined_Bond_Stereo_Count	0
11170991	Total_Formal_Charge	0
70662752	Undefined_Bond_Stereo_Count	0
219301	Undefined_Atom_Stereo_Count	0
158980	Hydrogen_Bond_Donor_Count	2
145994627	Molecular_Weight	150.22
135761165	Structure_Complexity	756
1710	Structure_Complexity	160
6855	Structure_Complexity	312
39018	Covalent_Unit_Count	2
24848402	Isotope_Atom_Count	0
611	Molecular_Weight	147.13
20883	Structure_Complexity	411
1198	Exact_Mass	192.02700259
549405	Rotatable_Bond_Count	0
12757499	Hydrogen_Bond_Donor_Count	0
45794	TPSA	20.2
4617	TPSA	41.6
5284516	Defined_Atom_Stereo_Count	2
12019	Rotatable_Bond_Count	2
256539	Isotope_Atom_Count	0
44134949	Isotope_Atom_Count	0
220705	Undefined_Atom_Stereo_Count	0
85236	Structure_Complexity	86.1
714937	Hydrogen_Bond_Acceptor_Count	3
78383862	TPSA	74.6
1069189	Undefined_Bond_Stereo_Count	0
5280883	Mono_Isotopic_Weight	368.21988874
3033865	Defined_Bond_Stereo_Count	0
47552	Hydrogen_Bond_Donor_Count	0
532295	Tautomer_Count	1
68137	Structure_Complexity	202
4974205	Covalent_Unit_Count	1
2462	Undefined_Atom_Stereo_Count	9
11707110	Rotatable_Bond_Count	5
5282494	Isotope_Atom_Count	0
325385	Defined_Bond_Stereo_Count	0
130796	Rotatable_Bond_Count	4
19549	Undefined_Atom_Stereo_Count	0
6426773	Molecular_Weight	612.8
4037	Covalent_Unit_Count	1
2449	Total_Formal_Charge	0
34800	Isotope_Atom_Count	0
68191	Isotope_Atom_Count	0
2153	TPSA	69.3
155925852	Exact_Mass	820.19737416
77195	Structure_Complexity	46.1
23409	Undefined_Bond_Stereo_Count	0
63141	Molecular_Weight	516.11
54424836	XLogP3-AA	1.9
77171	Non-hydrogen_Atom_Count	40
12465674	Undefined_Atom_Stereo_Count	2
22081028	Isotope_Atom_Count	0
674917	Structure_Complexity	295
5289143	Defined_Bond_Stereo_Count	0
14949967	Non-hydrogen_Atom_Count	7
54285963	Undefined_Atom_Stereo_Count	0
136582	Covalent_Unit_Count	1
3294	Undefined_Bond_Stereo_Count	0
60196312	Non-hydrogen_Atom_Count	42
134393564	Rotatable_Bond_Count	2
3661	Hydrogen_Bond_Acceptor_Count	4
57391458	Hydrogen_Bond_Acceptor_Count	6
130032075	Defined_Atom_Stereo_Count	0
6668	Isotope_Atom_Count	0
534610	Mono_Isotopic_Weight	114.104465066
9806190	Covalent_Unit_Count	1
403803	Structure_Complexity	1040
22096	Defined_Bond_Stereo_Count	0
54054905	Hydrogen_Bond_Donor_Count	2
24900874	XLogP3-AA	1.2
81146	Exact_Mass	267.08954328
71462510	Rotatable_Bond_Count	2
65757	Undefined_Atom_Stereo_Count	0
87527	Isotope_Atom_Count	0
724825	Undefined_Atom_Stereo_Count	0
28093915	Rotatable_Bond_Count	0
17948845	TPSA	72.2
9909392	Hydrogen_Bond_Donor_Count	2
122738	TPSA	221
13376	Hydrogen_Bond_Donor_Count	1
138112	Defined_Atom_Stereo_Count	0
75675	Molecular_Weight	192.32
15301053	Structure_Complexity	489
72002	Defined_Atom_Stereo_Count	0
349713	XLogP3-AA	0.1
54584775	Non-hydrogen_Atom_Count	21
9548602	Hydrogen_Bond_Acceptor_Count	6
94396	Defined_Bond_Stereo_Count	0
10378638	Covalent_Unit_Count	1
96339	XLogP3	2
133637885	Non-hydrogen_Atom_Count	33
24181458	Hydrogen_Bond_Acceptor_Count	8
24978601	Undefined_Bond_Stereo_Count	0
11789150	Exact_Mass	109.052763847
152257	Exact_Mass	201.151749610
642785	Exact_Mass	110.036779430
11319217	Structure_Complexity	1020
98053103	Rotatable_Bond_Count	2
2572037	Hydrogen_Bond_Acceptor_Count	3
3567233	Isotope_Atom_Count	0
12600	Non-hydrogen_Atom_Count	14
71713951	Covalent_Unit_Count	1
24404	Undefined_Bond_Stereo_Count	0
447835	Covalent_Unit_Count	1
859897	Mono_Isotopic_Weight	337.09186920
90402964	Total_Formal_Charge	0
13582607	XLogP3-AA	0.4
33613	Covalent_Unit_Count	1
162642814	Molecular_Weight	192.23
138440	Molecular_Weight	100.12
6220	Defined_Atom_Stereo_Count	0
5370052	Exact_Mass	208.146329876
17171354	Structure_Complexity	98.6
94180	Molecular_Weight	160.21
8683	Structure_Complexity	189
5280804	Rotatable_Bond_Count	4
4116	Covalent_Unit_Count	1
197942	Defined_Bond_Stereo_Count	0
75538	Total_Formal_Charge	0
65258	Isotope_Atom_Count	0
45484139	Isotope_Atom_Count	0
636403	Mono_Isotopic_Weight	570.35565393
78031	Hydrogen_Bond_Donor_Count	1
54309225	Non-hydrogen_Atom_Count	7
95162413	Non-hydrogen_Atom_Count	23
7232	Total_Formal_Charge	0
23456	Molecular_Weight	246.30
5150303	Isotope_Atom_Count	0
13651	Total_Formal_Charge	0
676399	Mono_Isotopic_Weight	284.11609238
9911778	Undefined_Bond_Stereo_Count	0
87438806	Defined_Atom_Stereo_Count	0
12699161	Defined_Bond_Stereo_Count	0
65410	Covalent_Unit_Count	1
9877343	Covalent_Unit_Count	1
22636846	Undefined_Bond_Stereo_Count	0
4487	Defined_Bond_Stereo_Count	0
53494150	TPSA	73.4
10975431	Structure_Complexity	166
57796	Hydrogen_Bond_Donor_Count	2
59824443	Exact_Mass	416.32904526
96886	Mono_Isotopic_Weight	181.06628286
14897389	Defined_Atom_Stereo_Count	0
9643	Defined_Bond_Stereo_Count	0
84589	Defined_Atom_Stereo_Count	0
12755803	Defined_Bond_Stereo_Count	0
162461	Covalent_Unit_Count	1
2733294	Defined_Bond_Stereo_Count	1
64456	Exact_Mass	224.13471982
65955	Defined_Atom_Stereo_Count	0
398738	Defined_Atom_Stereo_Count	0
100959353	Rotatable_Bond_Count	7
21545139	Defined_Bond_Stereo_Count	0
11382	TPSA	49.2
66187	Structure_Complexity	47.7
96396	Structure_Complexity	205
53846028	Rotatable_Bond_Count	0
504571	Defined_Atom_Stereo_Count	0
9939627	Defined_Bond_Stereo_Count	1
133268468	Undefined_Atom_Stereo_Count	0
7023411	Undefined_Bond_Stereo_Count	0
16129911	Structure_Complexity	2700
12418	Undefined_Atom_Stereo_Count	0
20347	Rotatable_Bond_Count	3
204109	Defined_Bond_Stereo_Count	0
139692	TPSA	0
5281236	Structure_Complexity	1300
68749	Hydrogen_Bond_Donor_Count	0
6421	Covalent_Unit_Count	1
40549	Undefined_Bond_Stereo_Count	0
43991	Undefined_Atom_Stereo_Count	0
602731	Isotope_Atom_Count	0
483407	Isotope_Atom_Count	0
6518189	Defined_Atom_Stereo_Count	0
5993	Molecular_Weight	409.8
133612130	Rotatable_Bond_Count	44
93375	Hydrogen_Bond_Acceptor_Count	1
35802	Undefined_Bond_Stereo_Count	0
121891	Undefined_Atom_Stereo_Count	0
7093	Tautomer_Count	1
53893761	Undefined_Bond_Stereo_Count	0
22404489	Covalent_Unit_Count	1
70314955	Molecular_Weight	112.09
638057	Rotatable_Bond_Count	0
22990584	Undefined_Bond_Stereo_Count	0
533884	Molecular_Weight	99.17
97226	Defined_Bond_Stereo_Count	0
181134	Hydrogen_Bond_Donor_Count	0
11977753	Covalent_Unit_Count	1
148676572	Exact_Mass	108.093900383
286595	Undefined_Atom_Stereo_Count	0
18546557	Hydrogen_Bond_Acceptor_Count	4
135430945	Undefined_Atom_Stereo_Count	1
71240	Hydrogen_Bond_Acceptor_Count	7
1486935	Covalent_Unit_Count	1
1449	Hydrogen_Bond_Donor_Count	1
22062700	Defined_Bond_Stereo_Count	0
450349	Isotope_Atom_Count	1
15387	Defined_Bond_Stereo_Count	0
37642	TPSA	23.6
11858	Exact_Mass	164.0240218
6857536	Undefined_Atom_Stereo_Count	1
68876	Defined_Atom_Stereo_Count	0
18962468	Isotope_Atom_Count	0
13357	Tautomer_Count	1
213032	Defined_Atom_Stereo_Count	0
9399	Defined_Bond_Stereo_Count	0
12561666	Rotatable_Bond_Count	0
1550489	Non-hydrogen_Atom_Count	7
439503	Total_Formal_Charge	0
8292	Rotatable_Bond_Count	7
133084	Hydrogen_Bond_Acceptor_Count	5
16212939	Undefined_Bond_Stereo_Count	0
12760727	Isotope_Atom_Count	0
68848	Hydrogen_Bond_Acceptor_Count	5
3035016	Mono_Isotopic_Weight	483.15293138
12452564	Hydrogen_Bond_Acceptor_Count	1
153274329	Exact_Mass	842.51400504
11698194	Undefined_Bond_Stereo_Count	0
216269	Undefined_Bond_Stereo_Count	0
4409	Mono_Isotopic_Weight	228.115029749
4201	Exact_Mass	209.12766012
13740445	Undefined_Bond_Stereo_Count	0
23677829	Defined_Atom_Stereo_Count	0
72200166	Rotatable_Bond_Count	12
20759975	Mono_Isotopic_Weight	101.084063974
73755261	XLogP3-AA	1.4
71210	Mono_Isotopic_Weight	227.094628657
23161665	Hydrogen_Bond_Donor_Count	0
441302	Undefined_Atom_Stereo_Count	0
81056	Undefined_Atom_Stereo_Count	0
57398329	Defined_Atom_Stereo_Count	0
5319879	Exact_Mass	356.29265975
70689351	Isotope_Atom_Count	0
68848	Isotope_Atom_Count	0
59420042	Isotope_Atom_Count	0
134823887	Covalent_Unit_Count	2
89036	Molecular_Weight	221.25
9911502	Mono_Isotopic_Weight	447.0689409
7084	Defined_Atom_Stereo_Count	0
555285	Molecular_Weight	106.12
14241464	TPSA	42.5
5354264	Exact_Mass	126.104465066
11069215	Undefined_Atom_Stereo_Count	0
129638019	Structure_Complexity	497
9929430	Total_Formal_Charge	0
19470	Isotope_Atom_Count	0
79704	Hydrogen_Bond_Acceptor_Count	5
5236	Structure_Complexity	37.4
5283335	Non-hydrogen_Atom_Count	10
17909343	Exact_Mass	100.063662883
56953649	TPSA	82
131695	Rotatable_Bond_Count	6
2734167	Exact_Mass	188.1080262
3034645	Rotatable_Bond_Count	1
60767	Mono_Isotopic_Weight	432.2179706
119058036	Molecular_Weight	4103
19169	Structure_Complexity	91.1
20690429	Rotatable_Bond_Count	8
56955286	XLogP3-AA	3.7
408536	Undefined_Atom_Stereo_Count	1
11197252	Isotope_Atom_Count	0
15266968	Defined_Atom_Stereo_Count	0
62539	Hydrogen_Bond_Donor_Count	0
20188	Molecular_Weight	341.7
70248	Exact_Mass	148.121177757
17778639	Defined_Bond_Stereo_Count	0
179344	Undefined_Bond_Stereo_Count	0
3906961	Undefined_Bond_Stereo_Count	0
68947	Isotope_Atom_Count	0
21649779	Rotatable_Bond_Count	1
228204	Molecular_Weight	250.74
11829373	Undefined_Bond_Stereo_Count	0
14949211	Rotatable_Bond_Count	0
4162	Defined_Bond_Stereo_Count	0
64459	Isotope_Atom_Count	0
4077	Hydrogen_Bond_Acceptor_Count	4
23703990	Isotope_Atom_Count	0
129652160	TPSA	132
53364498	Covalent_Unit_Count	1
80168	Defined_Atom_Stereo_Count	0
101508194	Molecular_Weight	478.6
54296709	Hydrogen_Bond_Acceptor_Count	1
54688686	Non-hydrogen_Atom_Count	30
59600546	XLogP3-AA	0.8
164575802	Molecular_Weight	969.9
5289247	Undefined_Atom_Stereo_Count	0
21831638	Undefined_Bond_Stereo_Count	0
9219	Molecular_Weight	118.14
9549284	Rotatable_Bond_Count	3
123289031	Covalent_Unit_Count	1
88789571	Isotope_Atom_Count	0
11477652	Defined_Atom_Stereo_Count	0
6918078	Structure_Complexity	402
18359433	Total_Formal_Charge	0
89082395	Covalent_Unit_Count	1
85663349	Defined_Atom_Stereo_Count	0
7958	Covalent_Unit_Count	1
139058077	Covalent_Unit_Count	4
91664033	Defined_Atom_Stereo_Count	28
239215	Exact_Mass	112.052429494
259992	Isotope_Atom_Count	0
154132	Mono_Isotopic_Weight	354.0901833
25202562	Hydrogen_Bond_Donor_Count	0
71310415	Defined_Atom_Stereo_Count	0
80037	Covalent_Unit_Count	1
91468768	Structure_Complexity	161
44229079	Defined_Bond_Stereo_Count	1
82646	Defined_Atom_Stereo_Count	0
32872	Tautomer_Count	6
22833489	Hydrogen_Bond_Donor_Count	0
17734	XLogP3-AA	1
1464	Covalent_Unit_Count	1
21302490	Structure_Complexity	593
3623	XLogP3	1.9
68666	Mono_Isotopic_Weight	478.04393321
70717	Molecular_Weight	113.11
1171	Rotatable_Bond_Count	23
14517	Non-hydrogen_Atom_Count	9
71171	Exact_Mass	679.26758446
8743	Covalent_Unit_Count	1
122239	Structure_Complexity	500
23662354	Tautomer_Count	1
152254	Tautomer_Count	2
22096568	Mono_Isotopic_Weight	63.02684640
35459	Molecular_Weight	162.18
11446375	Undefined_Atom_Stereo_Count	0
25163980	Defined_Atom_Stereo_Count	4
88279	Undefined_Bond_Stereo_Count	0
174076	Hydrogen_Bond_Acceptor_Count	0
83763	Rotatable_Bond_Count	2
85942939	Rotatable_Bond_Count	1
22062700	Defined_Atom_Stereo_Count	0
61892972	Defined_Bond_Stereo_Count	0
3083346	Mono_Isotopic_Weight	335.15801676
6828	Mono_Isotopic_Weight	268.157563266
60196362	Covalent_Unit_Count	2
421442	Covalent_Unit_Count	1
3510569	Undefined_Atom_Stereo_Count	0
119196	Exact_Mass	595.20536087
5860	Isotope_Atom_Count	0
73957	Defined_Atom_Stereo_Count	0
3444	Tautomer_Count	1
131704316	Defined_Atom_Stereo_Count	0
711	Exact_Mass	458.12026532
71345	Hydrogen_Bond_Donor_Count	0
9828626	Defined_Atom_Stereo_Count	0
5320313	Hydrogen_Bond_Donor_Count	6
738244	Mono_Isotopic_Weight	208.08479225
155803776	Hydrogen_Bond_Acceptor_Count	6
135410702	Mono_Isotopic_Weight	471.15024603
11589920	Total_Formal_Charge	0
33944	Rotatable_Bond_Count	2
9819	Undefined_Bond_Stereo_Count	0
65963	Total_Formal_Charge	0
15295	TPSA	57.5
67005	Hydrogen_Bond_Donor_Count	0
15174915	Exact_Mass	360.16852187
10138980	Rotatable_Bond_Count	5
12014	Undefined_Atom_Stereo_Count	0
448949	Total_Formal_Charge	0
36235	TPSA	178
12423177	TPSA	33
37034	Covalent_Unit_Count	1
2232	Tautomer_Count	2
25954	Defined_Bond_Stereo_Count	0
12271825	Undefined_Atom_Stereo_Count	0
833992	Tautomer_Count	3
63974	Exact_Mass	404.14845513
107949	Defined_Atom_Stereo_Count	0
11518211	Hydrogen_Bond_Donor_Count	1
5464027	Structure_Complexity	491
68203	Structure_Complexity	696
61253	Structure_Complexity	269
44563109	Defined_Atom_Stereo_Count	0
62884	Hydrogen_Bond_Donor_Count	2
6637	Covalent_Unit_Count	1
58473795	Undefined_Bond_Stereo_Count	0
15670683	Hydrogen_Bond_Acceptor_Count	2
16584	Structure_Complexity	129
129320459	Covalent_Unit_Count	1
12394646	Hydrogen_Bond_Acceptor_Count	1
72155	Isotope_Atom_Count	0
60606	Undefined_Bond_Stereo_Count	0
12492	Rotatable_Bond_Count	3
72200352	TPSA	90.8
232080	Rotatable_Bond_Count	4
19859	Mono_Isotopic_Weight	205.91341
91506	Covalent_Unit_Count	1
72450871	XLogP3-AA	1.1
13578	Tautomer_Count	1
46926350	Molecular_Weight	396.5
17756939	Undefined_Atom_Stereo_Count	1
86711	Non-hydrogen_Atom_Count	29
8283	TPSA	20.2
7979	Defined_Bond_Stereo_Count	0
89233	Covalent_Unit_Count	1
26556	Rotatable_Bond_Count	4
1044	Hydrogen_Bond_Donor_Count	1
9568637	Tautomer_Count	3
5371002	Undefined_Atom_Stereo_Count	2
638088	Molecular_Weight	180.24
54215673	Defined_Bond_Stereo_Count	0
54459	TPSA	42.8
58035420	Structure_Complexity	103
133083079	Mono_Isotopic_Weight	1825.89989849
57721	Mono_Isotopic_Weight	485.22609631
33722	TPSA	29.1
24352	Non-hydrogen_Atom_Count	24
92850	Hydrogen_Bond_Donor_Count	0
9798038	XLogP3	3.5
2296	Tautomer_Count	5
14523550	Mono_Isotopic_Weight	461.18383758
22015260	Rotatable_Bond_Count	2
6327116	Exact_Mass	141.01054143
197856	Structure_Complexity	735
9806615	TPSA	205
14022511	Molecular_Weight	275.33
7199	Exact_Mass	140.120115130
572802	Undefined_Bond_Stereo_Count	0
16719897	Molecular_Weight	208.14
866077	Mono_Isotopic_Weight	311.0495256
40523471	Mono_Isotopic_Weight	347.09397721
91749	Exact_Mass	221.0243562
1742210	Mono_Isotopic_Weight	220.182715385
520384	Hydrogen_Bond_Donor_Count	0
21930812	Undefined_Bond_Stereo_Count	0
62382	Defined_Bond_Stereo_Count	0
24875372	Molecular_Weight	500.7
12873460	Isotope_Atom_Count	0
58018940	Non-hydrogen_Atom_Count	8
3053755	Defined_Bond_Stereo_Count	0
4066	Tautomer_Count	1
78090	Tautomer_Count	1
205586	Defined_Atom_Stereo_Count	1
234839	Undefined_Bond_Stereo_Count	0
2153	Non-hydrogen_Atom_Count	13
6371716	Rotatable_Bond_Count	15
139488	Mono_Isotopic_Weight	96.057514874
117295	Molecular_Weight	128.22
122639	Rotatable_Bond_Count	33
6032	Covalent_Unit_Count	1
825744	Molecular_Weight	338.4
24865443	Molecular_Weight	488.4
55285488	Total_Formal_Charge	0
4642	Mono_Isotopic_Weight	344.20999276
10062737	Total_Formal_Charge	0
8857	Rotatable_Bond_Count	2
157209529	Defined_Bond_Stereo_Count	0
3176	TPSA	126
5241	Tautomer_Count	1
29756	Undefined_Bond_Stereo_Count	0
73707487	Hydrogen_Bond_Acceptor_Count	4
115205	Hydrogen_Bond_Acceptor_Count	19
2129427	Exact_Mass	309.07495584
65483	Defined_Atom_Stereo_Count	0
107775	Undefined_Bond_Stereo_Count	0
86784	Defined_Atom_Stereo_Count	0
8394	Total_Formal_Charge	0
87300	Structure_Complexity	46.5
68888	Mono_Isotopic_Weight	187.12084340
135084	Undefined_Bond_Stereo_Count	0
66119	Defined_Atom_Stereo_Count	0
60196403	Rotatable_Bond_Count	5
3034479	Molecular_Weight	300.37
2724629	Exact_Mass	353.16270821
94154	Undefined_Atom_Stereo_Count	0
15568	Defined_Bond_Stereo_Count	0
49852291	Hydrogen_Bond_Acceptor_Count	6
25833	Hydrogen_Bond_Acceptor_Count	1
71887	Molecular_Weight	248.28
9570639	Total_Formal_Charge	0
70682213	Isotope_Atom_Count	0
49652	Undefined_Atom_Stereo_Count	0
67520	Structure_Complexity	37
6058	Defined_Bond_Stereo_Count	0
87243	Mono_Isotopic_Weight	210.05282342
54322811	Covalent_Unit_Count	1
519415	TPSA	18.5
101561	Exact_Mass	120.04225873
22058861	Defined_Bond_Stereo_Count	0
129752646	Rotatable_Bond_Count	12
9917021	Isotope_Atom_Count	0
24826799	Non-hydrogen_Atom_Count	39
11534837	Mono_Isotopic_Weight	418.0570545
11769408	Rotatable_Bond_Count	4
12251749	Structure_Complexity	92.5
15820984	TPSA	80.3
429342	Exact_Mass	253.99156
5362893	Defined_Bond_Stereo_Count	1
58357553	Undefined_Bond_Stereo_Count	0
1437819	Molecular_Weight	341.8
12702817	XLogP3-AA	1
12302675	Covalent_Unit_Count	1
8141	Molecular_Weight	128.25
6509724	Defined_Bond_Stereo_Count	1
70848	Rotatable_Bond_Count	2
119095542	TPSA	58.4
185554	Covalent_Unit_Count	1
667	Molecular_Weight	866.9
59875983	Rotatable_Bond_Count	0
821500	Isotope_Atom_Count	0
7980	Covalent_Unit_Count	1
3032307	Molecular_Weight	288.4
18711391	Undefined_Bond_Stereo_Count	0
54046302	Undefined_Atom_Stereo_Count	1
446167	Structure_Complexity	221
1132	Tautomer_Count	3
429571	Undefined_Bond_Stereo_Count	0
117846599	Hydrogen_Bond_Acceptor_Count	11
36688117	Undefined_Bond_Stereo_Count	0
36689718	Mono_Isotopic_Weight	117.078978594
130026605	Covalent_Unit_Count	1
13516401	Undefined_Bond_Stereo_Count	0
2495	Molecular_Weight	538.7
21622656	Hydrogen_Bond_Donor_Count	2
3622	Defined_Bond_Stereo_Count	0
4502	TPSA	270
129297096	Rotatable_Bond_Count	1
67214459	Defined_Atom_Stereo_Count	0
74096	Rotatable_Bond_Count	5
4471892	Hydrogen_Bond_Donor_Count	2
136378	Structure_Complexity	42.9
91575456	Total_Formal_Charge	0
37393	Molecular_Weight	500.4
6450531	TPSA	179
4420067	Non-hydrogen_Atom_Count	16
49853406	XLogP3-AA	1.7
124514	Molecular_Weight	268.31
68097	Tautomer_Count	12
439811	Hydrogen_Bond_Donor_Count	3
522636	Non-hydrogen_Atom_Count	25
45157545	Structure_Complexity	330
23264402	Exact_Mass	110.073164938
54415369	Hydrogen_Bond_Acceptor_Count	3
88955311	Hydrogen_Bond_Acceptor_Count	2
81445	Rotatable_Bond_Count	0
134587348	Defined_Atom_Stereo_Count	1
34936	Mono_Isotopic_Weight	209.09127461
69507	Non-hydrogen_Atom_Count	16
54111025	Mono_Isotopic_Weight	110.109550447
14319	Non-hydrogen_Atom_Count	12
9547713	Total_Formal_Charge	0
24737	Mono_Isotopic_Weight	388.1812084
18933503	TPSA	52
91610	Hydrogen_Bond_Donor_Count	2
51030901	Exact_Mass	446.14265630
4788	Undefined_Bond_Stereo_Count	0
134931805	Hydrogen_Bond_Donor_Count	0
232592	TPSA	55.4
77531	Non-hydrogen_Atom_Count	8
83907	Hydrogen_Bond_Acceptor_Count	3
17559	Structure_Complexity	1510
12444299	Defined_Bond_Stereo_Count	0
6973640	Undefined_Atom_Stereo_Count	0
145307712	Mono_Isotopic_Weight	107.037113783
9823224	Total_Formal_Charge	0
443041	Non-hydrogen_Atom_Count	18
62325	Covalent_Unit_Count	1
129	Tautomer_Count	2
542215	Undefined_Bond_Stereo_Count	0
20414	Hydrogen_Bond_Acceptor_Count	0
10855384	Undefined_Bond_Stereo_Count	0
2415	Exact_Mass	426.1346349
408770	Total_Formal_Charge	0
1176	Undefined_Bond_Stereo_Count	0
5726	TPSA	93.2
6400441	Undefined_Atom_Stereo_Count	1
84954	Covalent_Unit_Count	1
5283339	Tautomer_Count	4
16682930	Mono_Isotopic_Weight	114.0989139
3463	Structure_Complexity	273
19458	TPSA	223
29353	Total_Formal_Charge	0
9887537	Isotope_Atom_Count	0
507	Defined_Bond_Stereo_Count	0
72221005	Undefined_Atom_Stereo_Count	1
26136	XLogP3-AA	1.7
57637187	Total_Formal_Charge	0
129662986	Isotope_Atom_Count	0
57645443	TPSA	110
129800133	Hydrogen_Bond_Donor_Count	0
134824657	Defined_Bond_Stereo_Count	0
2734217	Structure_Complexity	433
10393	Isotope_Atom_Count	0
21464101	Structure_Complexity	72.5
67242631	Structure_Complexity	161
10451635	Rotatable_Bond_Count	1
25271892	Exact_Mass	315.08033852
6327116	Defined_Bond_Stereo_Count	0
69484	Isotope_Atom_Count	0
14868	Covalent_Unit_Count	1
44134877	Mono_Isotopic_Weight	958.2433015
159283	Isotope_Atom_Count	0
547064	Defined_Bond_Stereo_Count	0
55289600	Non-hydrogen_Atom_Count	6
6538999	Undefined_Atom_Stereo_Count	1
48548	Isotope_Atom_Count	0
6506	Defined_Atom_Stereo_Count	0
71323382	Mono_Isotopic_Weight	77.026549100
20431673	Undefined_Atom_Stereo_Count	1
4630913	Structure_Complexity	542
21932619	Undefined_Atom_Stereo_Count	4
2099	Covalent_Unit_Count	1
3938007	Mono_Isotopic_Weight	257.17662169
12442470	Covalent_Unit_Count	1
22796701	Isotope_Atom_Count	0
11249342	Defined_Atom_Stereo_Count	2
2734181	Exact_Mass	251.1468424
45266908	Rotatable_Bond_Count	9
44349142	Exact_Mass	765.42004509
694743	Rotatable_Bond_Count	5
57387	Tautomer_Count	1
92588	Exact_Mass	110.073164938
446276	Non-hydrogen_Atom_Count	26
83814961	Non-hydrogen_Atom_Count	8
6300	Tautomer_Count	3
16682987	Defined_Atom_Stereo_Count	0
157049	Molecular_Weight	559.5
22154890	XLogP3-AA	2.3
91618345	Molecular_Weight	111.10
1894	Total_Formal_Charge	0
14330987	Non-hydrogen_Atom_Count	9
90202	Undefined_Bond_Stereo_Count	0
65844	Isotope_Atom_Count	0
53999929	Defined_Bond_Stereo_Count	0
903168	Defined_Atom_Stereo_Count	0
19762	Defined_Atom_Stereo_Count	1
3006315	Hydrogen_Bond_Acceptor_Count	4
11947765	Structure_Complexity	161
10130337	Rotatable_Bond_Count	5
129829002	Rotatable_Bond_Count	0
5282421	Isotope_Atom_Count	0
763	Defined_Atom_Stereo_Count	0
6418719	Hydrogen_Bond_Acceptor_Count	10
20811708	XLogP3-AA	1.6
137938996	Undefined_Atom_Stereo_Count	2
20326	Rotatable_Bond_Count	6
22218878	Covalent_Unit_Count	1
148931546	Mono_Isotopic_Weight	1201.84136802
222572	Isotope_Atom_Count	0
45270539	Undefined_Bond_Stereo_Count	0
815404	Hydrogen_Bond_Donor_Count	0
9852981	TPSA	330
15691707	Non-hydrogen_Atom_Count	7
22323434	Exact_Mass	466.19771322
9956726	TPSA	117
13930075	TPSA	29.1
22134026	Non-hydrogen_Atom_Count	8
72809410	Covalent_Unit_Count	1
6604492	Rotatable_Bond_Count	7
77011628	Defined_Atom_Stereo_Count	0
10278	Defined_Bond_Stereo_Count	0
56972160	Undefined_Bond_Stereo_Count	0
72253	Total_Formal_Charge	0
54036153	Structure_Complexity	129
94153	Undefined_Bond_Stereo_Count	0
34327	TPSA	0
75311	Tautomer_Count	1
69333956	Isotope_Atom_Count	0
49248	Defined_Atom_Stereo_Count	0
5460037	Defined_Atom_Stereo_Count	14
1012	Hydrogen_Bond_Donor_Count	10
143562	Molecular_Weight	115.13
19082215	Isotope_Atom_Count	0
14660779	Undefined_Bond_Stereo_Count	0
156583337	Exact_Mass	1228.57242689
275510	Molecular_Weight	647.9
90055716	Non-hydrogen_Atom_Count	36
14245	Total_Formal_Charge	0
3480138	Covalent_Unit_Count	1
13380150	Molecular_Weight	114.19
199539	Hydrogen_Bond_Acceptor_Count	1
17811	Undefined_Bond_Stereo_Count	0
9856149	Defined_Bond_Stereo_Count	1
93050	Molecular_Weight	112.17
136445	Exact_Mass	102.104465066
15273918	Hydrogen_Bond_Acceptor_Count	2
18521191	Tautomer_Count	1
26865	Non-hydrogen_Atom_Count	8
84597	Covalent_Unit_Count	1
88974141	Undefined_Bond_Stereo_Count	0
13672886	Defined_Atom_Stereo_Count	0
31283	Isotope_Atom_Count	0
154342	XLogP3	2.9
445575	Structure_Complexity	609
23279315	Structure_Complexity	78.9
57398260	Hydrogen_Bond_Donor_Count	2
234117	Structure_Complexity	352
57369411	Defined_Bond_Stereo_Count	0
2338	Rotatable_Bond_Count	12
60934	Non-hydrogen_Atom_Count	54
23103366	Isotope_Atom_Count	0
4931	Rotatable_Bond_Count	3
6917681	Defined_Bond_Stereo_Count	0
90927	Defined_Atom_Stereo_Count	0
79642	Isotope_Atom_Count	0
55288429	Hydrogen_Bond_Acceptor_Count	1
6327109	Defined_Bond_Stereo_Count	0
7477	Covalent_Unit_Count	1
220272	Hydrogen_Bond_Acceptor_Count	3
46916	Undefined_Atom_Stereo_Count	0
40153	Undefined_Atom_Stereo_Count	0
7225	Mono_Isotopic_Weight	133.052763847
98887	Undefined_Atom_Stereo_Count	0
440946	Exact_Mass	504.16903493
14765771	Undefined_Atom_Stereo_Count	0
40605	Rotatable_Bond_Count	3
67339181	XLogP3-AA	2.5
23649154	Isotope_Atom_Count	0
77720	Isotope_Atom_Count	0
7311724	TPSA	67.8
893	Hydrogen_Bond_Donor_Count	1
263373	Undefined_Atom_Stereo_Count	0
3530398	Non-hydrogen_Atom_Count	18
12263	Hydrogen_Bond_Acceptor_Count	2
88276	Structure_Complexity	169
31432	Undefined_Atom_Stereo_Count	0
57081543	TPSA	56.9
11161534	Non-hydrogen_Atom_Count	20
5284443	Undefined_Atom_Stereo_Count	0
141697522	Defined_Atom_Stereo_Count	5
135391044	Mono_Isotopic_Weight	915.09339
99068	Hydrogen_Bond_Acceptor_Count	2
10899025	Defined_Bond_Stereo_Count	0
114946	Exact_Mass	120.057514874
9929	Covalent_Unit_Count	1
123611	Undefined_Atom_Stereo_Count	1
133562676	XLogP3-AA	4.1
128918	Tautomer_Count	1
84042	Hydrogen_Bond_Acceptor_Count	3
31369	Undefined_Atom_Stereo_Count	0
753	Hydrogen_Bond_Donor_Count	3
82993	Isotope_Atom_Count	0
53326857	XLogP3-AA	2.3
237031	Exact_Mass	112.063662883
7944	TPSA	9.2
6993773	Covalent_Unit_Count	1
449362	Exact_Mass	991.32922577
3037936	Isotope_Atom_Count	0
450268	Tautomer_Count	6
30513	Molecular_Weight	259.29
3937	TPSA	133
3068367	Defined_Bond_Stereo_Count	0
44134800	Mono_Isotopic_Weight	306.0627584
5702243	Undefined_Bond_Stereo_Count	0
11545958	Undefined_Atom_Stereo_Count	1
57077346	Molecular_Weight	105.10
9817140	Hydrogen_Bond_Donor_Count	1
53435365	Rotatable_Bond_Count	0
1549000	Defined_Bond_Stereo_Count	0
3653	Undefined_Bond_Stereo_Count	0
11954316	Rotatable_Bond_Count	6
36246	Defined_Bond_Stereo_Count	0
141980253	Molecular_Weight	114.14
92666	Undefined_Bond_Stereo_Count	0
13736253	Structure_Complexity	150
10898017	Isotope_Atom_Count	0
72199539	Isotope_Atom_Count	0
4205037	Rotatable_Bond_Count	13
10962	Rotatable_Bond_Count	2
24759094	Mono_Isotopic_Weight	432.17975526
140784	Defined_Atom_Stereo_Count	0
3777650	TPSA	65.1
17356	Undefined_Atom_Stereo_Count	0
38446	Hydrogen_Bond_Acceptor_Count	1
40469421	Rotatable_Bond_Count	6
96523	Undefined_Atom_Stereo_Count	0
10113978	Defined_Atom_Stereo_Count	0
401234	Defined_Bond_Stereo_Count	0
58247682	Hydrogen_Bond_Donor_Count	1
91505	Isotope_Atom_Count	0
54353965	Hydrogen_Bond_Donor_Count	0
60196353	Isotope_Atom_Count	0
118193	Total_Formal_Charge	0
72508	Non-hydrogen_Atom_Count	15
13531445	XLogP3-AA	0.2
129858308	Structure_Complexity	425
6420118	Defined_Bond_Stereo_Count	0
70789955	XLogP3-AA	3.7
51585	Covalent_Unit_Count	1
6266	Molecular_Weight	336.8
15273943	XLogP3-AA	1.4
539001	Exact_Mass	126.02924926
154461366	Structure_Complexity	122
114840	Hydrogen_Bond_Acceptor_Count	4
29359	Defined_Bond_Stereo_Count	0
194338	Total_Formal_Charge	0
104975	Non-hydrogen_Atom_Count	15
10157484	Hydrogen_Bond_Acceptor_Count	3
524954	Covalent_Unit_Count	1
129148	Rotatable_Bond_Count	23
202050	Structure_Complexity	50.1
9877608	Non-hydrogen_Atom_Count	12
3035842	Exact_Mass	165.126597491
11249342	XLogP3	2.3
23433606	Exact_Mass	218.084398327
132469488	Structure_Complexity	1220
9842127	Hydrogen_Bond_Acceptor_Count	2
3494	Defined_Atom_Stereo_Count	0
1335	Defined_Atom_Stereo_Count	0
62449	Molecular_Weight	198.72
59083882	TPSA	110
16217535	Hydrogen_Bond_Acceptor_Count	11
12310749	Hydrogen_Bond_Donor_Count	1
16084	Hydrogen_Bond_Donor_Count	3
14669	Rotatable_Bond_Count	4
44126033	TPSA	106
40589	Tautomer_Count	1
28459	Rotatable_Bond_Count	7
7873	Rotatable_Bond_Count	10
14464	Tautomer_Count	1
16719	Non-hydrogen_Atom_Count	12
9811353	Undefined_Atom_Stereo_Count	0
11646	Undefined_Bond_Stereo_Count	0
8545	Molecular_Weight	260.20
87831	Defined_Bond_Stereo_Count	0
499953	Rotatable_Bond_Count	3
21625926	Undefined_Atom_Stereo_Count	0
11267045	Molecular_Weight	316.26
6918678	Mono_Isotopic_Weight	361.12738533
93143	Exact_Mass	284.12598835
14040	Defined_Atom_Stereo_Count	0
3243871	Exact_Mass	366.0771200
49798507	Exact_Mass	418.17533859
163781	Covalent_Unit_Count	1
2314	Hydrogen_Bond_Donor_Count	1
16129911	Defined_Bond_Stereo_Count	1
136662680	Total_Formal_Charge	0
102752	Undefined_Atom_Stereo_Count	1
44582	Defined_Atom_Stereo_Count	0
72114	Hydrogen_Bond_Donor_Count	0
13050832	Defined_Bond_Stereo_Count	0
66601	XLogP3-AA	1.2
23533306	Undefined_Bond_Stereo_Count	0
5311027	Covalent_Unit_Count	1
12462	Rotatable_Bond_Count	3
135398593	Exact_Mass	252.08585488
292429	Hydrogen_Bond_Donor_Count	0
55303612	Mono_Isotopic_Weight	113.047678466
31057	Defined_Atom_Stereo_Count	0
5288266	Molecular_Weight	244.37
27932	Defined_Atom_Stereo_Count	0
86278348	Rotatable_Bond_Count	11
53322430	Defined_Bond_Stereo_Count	0
53384934	Mono_Isotopic_Weight	665.30474055
12585694	TPSA	0
3766	TPSA	0
37137	XLogP3	4.4
25526	Structure_Complexity	1150
22934413	Non-hydrogen_Atom_Count	8
170361	Non-hydrogen_Atom_Count	16
2593	Undefined_Bond_Stereo_Count	0
11773081	Non-hydrogen_Atom_Count	27
1999	Defined_Atom_Stereo_Count	0
92339	Exact_Mass	237.9952203
526739	Non-hydrogen_Atom_Count	17
176155	Molecular_Weight	377.4
21872570	Undefined_Bond_Stereo_Count	0
3463	TPSA	46.5
131315862	Total_Formal_Charge	0
7458	Molecular_Weight	416.3
456255	Exact_Mass	462.07801004
30196	Mono_Isotopic_Weight	334.25079494
11454753	Covalent_Unit_Count	1
36538	Isotope_Atom_Count	0
78472	Mono_Isotopic_Weight	166.146998583
15942827	TPSA	65.5
80092	Isotope_Atom_Count	0
121225388	Defined_Atom_Stereo_Count	12
18771155	Structure_Complexity	304
4329	Mono_Isotopic_Weight	638.21838516
308	Mono_Isotopic_Weight	134.073164938
3317081	Undefined_Bond_Stereo_Count	0
62817	XLogP3-AA	3.2
23876	Total_Formal_Charge	0
76957744	Isotope_Atom_Count	0
60196293	Rotatable_Bond_Count	3
70693519	Isotope_Atom_Count	0
7156899	Mono_Isotopic_Weight	342.11621151
687604	Non-hydrogen_Atom_Count	20
57396950	XLogP3-AA	4.9
702313	Exact_Mass	189.03606841
75842	Rotatable_Bond_Count	5
6328035	Isotope_Atom_Count	0
444234	Defined_Bond_Stereo_Count	0
71457010	Rotatable_Bond_Count	5
14022497	Mono_Isotopic_Weight	331.17183360
3712	Hydrogen_Bond_Donor_Count	2
146755429	Defined_Bond_Stereo_Count	0
119391	Mono_Isotopic_Weight	85.99386925
1674	Isotope_Atom_Count	0
29701	Rotatable_Bond_Count	5
208954	Defined_Atom_Stereo_Count	0
11226090	Defined_Atom_Stereo_Count	2
2318095	Isotope_Atom_Count	0
13795008	Rotatable_Bond_Count	0
6533629	Exact_Mass	383.03581088
59876594	Isotope_Atom_Count	0
40894	Rotatable_Bond_Count	1
9941379	Covalent_Unit_Count	1
71072050	Structure_Complexity	644
21973779	TPSA	32.3
12599129	Undefined_Atom_Stereo_Count	0
565884	Defined_Bond_Stereo_Count	0
30085	Undefined_Atom_Stereo_Count	0
44571868	Defined_Atom_Stereo_Count	0
168299	Tautomer_Count	1
71072113	Molecular_Weight	505.5
3293	Undefined_Atom_Stereo_Count	0
83270	TPSA	46.2
53436961	Structure_Complexity	103
11245	Total_Formal_Charge	0
15567528	Exact_Mass	112.063662883
36314	Defined_Atom_Stereo_Count	11
11073219	Covalent_Unit_Count	1
44339090	Hydrogen_Bond_Acceptor_Count	5
4015	Structure_Complexity	428
69667	Hydrogen_Bond_Acceptor_Count	0
16698	Exact_Mass	298.97249195
91497276	Hydrogen_Bond_Donor_Count	0
12656145	Molecular_Weight	111.18
3990	Non-hydrogen_Atom_Count	31
2021	Non-hydrogen_Atom_Count	23
76538	Total_Formal_Charge	0
5589	Undefined_Atom_Stereo_Count	9
20392430	Defined_Atom_Stereo_Count	0
11543205	Structure_Complexity	278
747268	Rotatable_Bond_Count	3
3368	TPSA	186
103439594	Hydrogen_Bond_Acceptor_Count	2
23667639	Undefined_Atom_Stereo_Count	0
968081	Undefined_Bond_Stereo_Count	0
10407399	Hydrogen_Bond_Donor_Count	2
88589624	Non-hydrogen_Atom_Count	47
10034577	Defined_Bond_Stereo_Count	0
163201191	Total_Formal_Charge	0
1821	Covalent_Unit_Count	1
13654	TPSA	26.3
8561	Structure_Complexity	295
50925541	Defined_Bond_Stereo_Count	0
45085139	TPSA	46.5
5459319	Exact_Mass	525.24750046
524894	Molecular_Weight	90.12
20690188	Defined_Bond_Stereo_Count	0
91851108	Undefined_Bond_Stereo_Count	0
119525	Molecular_Weight	429.5
21830191	Covalent_Unit_Count	1
42113	XLogP3-AA	2.6
129852452	Rotatable_Bond_Count	8
101254315	Undefined_Atom_Stereo_Count	0
14418	Mono_Isotopic_Weight	332.22639171
74030550	Molecular_Weight	2002.2
22380788	Non-hydrogen_Atom_Count	8
147873	Mono_Isotopic_Weight	240.10111102
29215	Isotope_Atom_Count	0
90315	Exact_Mass	384.18965124
6918193	Undefined_Atom_Stereo_Count	0
561780	Structure_Complexity	118
21844441	Defined_Atom_Stereo_Count	0
57473	TPSA	47.6
439271	Hydrogen_Bond_Donor_Count	8
5702183	Exact_Mass	554.05420021
12460926	Molecular_Weight	193.08
123243	Hydrogen_Bond_Donor_Count	0
7319	Tautomer_Count	4
2419	TPSA	53.1
37541	Covalent_Unit_Count	1
108052	Covalent_Unit_Count	1
66249	Isotope_Atom_Count	0
153921	Non-hydrogen_Atom_Count	30
13939519	Hydrogen_Bond_Donor_Count	0
28343	Non-hydrogen_Atom_Count	8
135444614	XLogP3-AA	4.3
44291156	Structure_Complexity	3240
16757820	Total_Formal_Charge	0
1179	Hydrogen_Bond_Acceptor_Count	16
55748	Defined_Bond_Stereo_Count	0
73330464	Mono_Isotopic_Weight	255.07428713
2543	Hydrogen_Bond_Acceptor_Count	2
135540987	Rotatable_Bond_Count	5
10629256	Mono_Isotopic_Weight	816.39097102
20784398	XLogP3-AA	1.8
4883	Exact_Mass	266.16304257
2712	Mono_Isotopic_Weight	299.0825398
85254	Molecular_Weight	107.07
19272	Undefined_Bond_Stereo_Count	0
6017	Total_Formal_Charge	0
9098	Molecular_Weight	172.29
10678204	Non-hydrogen_Atom_Count	8
9908880	Undefined_Bond_Stereo_Count	0
80822	Exact_Mass	695.08851438
72200110	Hydrogen_Bond_Acceptor_Count	3
316177	Mono_Isotopic_Weight	200.083729621
65667	Exact_Mass	577.32641949
45039680	Total_Formal_Charge	0
2762927	Isotope_Atom_Count	0
30140	Non-hydrogen_Atom_Count	10
195	Total_Formal_Charge	0
18002315	Isotope_Atom_Count	0
11240424	Undefined_Bond_Stereo_Count	0
20644244	Hydrogen_Bond_Acceptor_Count	2
5092	Hydrogen_Bond_Acceptor_Count	3
26865	Rotatable_Bond_Count	3
90488715	Mono_Isotopic_Weight	1018.44048069
37207	Non-hydrogen_Atom_Count	15
138335	Defined_Atom_Stereo_Count	0
6999987	Non-hydrogen_Atom_Count	7
688217	Mono_Isotopic_Weight	339.14705815
20693488	XLogP3-AA	0.6
154342	Isotope_Atom_Count	0
68115	TPSA	59.9
135515430	Molecular_Weight	328.4
44422	Defined_Atom_Stereo_Count	0
100957201	Defined_Atom_Stereo_Count	0
25137873	Structure_Complexity	386
4604	Isotope_Atom_Count	0
5378597	TPSA	207
1960	Hydrogen_Bond_Acceptor_Count	4
659064	Undefined_Bond_Stereo_Count	0
316613	Total_Formal_Charge	0
4373	XLogP3	0.1
8581	Mono_Isotopic_Weight	665.15868546
13574950	Defined_Atom_Stereo_Count	0
7881	Undefined_Bond_Stereo_Count	0
413511	Undefined_Atom_Stereo_Count	2
13610389	Undefined_Bond_Stereo_Count	0
5497105	Covalent_Unit_Count	1
16212687	Defined_Bond_Stereo_Count	0
46225190	Exact_Mass	277.215412493
55889	Defined_Bond_Stereo_Count	0
67532	Hydrogen_Bond_Acceptor_Count	4
176077	Structure_Complexity	132
10285793	Tautomer_Count	1
69465	Rotatable_Bond_Count	1
233208	Covalent_Unit_Count	1
551592	Hydrogen_Bond_Donor_Count	0
5479494	TPSA	169
9136	Structure_Complexity	266
22660626	Isotope_Atom_Count	0
9853710	Tautomer_Count	24
413552	Total_Formal_Charge	0
81183	Hydrogen_Bond_Acceptor_Count	1
154	Rotatable_Bond_Count	6
24739911	Defined_Atom_Stereo_Count	0
44560080	Defined_Atom_Stereo_Count	9
54587659	Undefined_Atom_Stereo_Count	0
5310983	Mono_Isotopic_Weight	552.98346781
6318	Mono_Isotopic_Weight	155.9978071
26173	Structure_Complexity	120
49750	Isotope_Atom_Count	0
46225190	Covalent_Unit_Count	1
116701105	Total_Formal_Charge	0
77408	Defined_Atom_Stereo_Count	0
13635047	Non-hydrogen_Atom_Count	8
20692458	Exact_Mass	112.088815002
21832123	Structure_Complexity	30.1
34408	Hydrogen_Bond_Donor_Count	0
22132384	Isotope_Atom_Count	0
12971	Undefined_Bond_Stereo_Count	0
23581798	Undefined_Bond_Stereo_Count	0
54057642	Non-hydrogen_Atom_Count	7
661093	Structure_Complexity	361
11949689	Undefined_Atom_Stereo_Count	0
66545759	Molecular_Weight	503.5
656644	Hydrogen_Bond_Donor_Count	2
55973	Undefined_Atom_Stereo_Count	0
57396213	Undefined_Atom_Stereo_Count	0
65506	Covalent_Unit_Count	5
10621272	Structure_Complexity	569
73801102	Isotope_Atom_Count	0
11271	Covalent_Unit_Count	1
25006688	Defined_Bond_Stereo_Count	0
826477	Isotope_Atom_Count	0
58247682	Covalent_Unit_Count	1
477	Covalent_Unit_Count	1
13485108	Non-hydrogen_Atom_Count	8
14527402	Hydrogen_Bond_Donor_Count	0
16214946	Hydrogen_Bond_Acceptor_Count	6
16211032	Rotatable_Bond_Count	4
91505	Hydrogen_Bond_Donor_Count	2
11374717	Hydrogen_Bond_Donor_Count	1
1549103	Covalent_Unit_Count	1
5353500	Isotope_Atom_Count	0
13625887	Hydrogen_Bond_Donor_Count	0
193653	Hydrogen_Bond_Donor_Count	3
47304	Mono_Isotopic_Weight	258.173213330
16051921	Rotatable_Bond_Count	6
70692775	Undefined_Atom_Stereo_Count	0
22523	Defined_Bond_Stereo_Count	0
10419143	Total_Formal_Charge	0
58173	Defined_Atom_Stereo_Count	0
12852568	Hydrogen_Bond_Donor_Count	0
317062	Defined_Bond_Stereo_Count	0
9855465	Total_Formal_Charge	0
73415809	Covalent_Unit_Count	3
6097177	Undefined_Atom_Stereo_Count	0
43471	Non-hydrogen_Atom_Count	12
12213511	Structure_Complexity	139
60150185	Undefined_Bond_Stereo_Count	0
8821	Molecular_Weight	100.12
160419	Defined_Atom_Stereo_Count	0
91742	Hydrogen_Bond_Donor_Count	1
66827369	Structure_Complexity	72.2
59122	Non-hydrogen_Atom_Count	33
44630461	Defined_Bond_Stereo_Count	0
21405	Defined_Bond_Stereo_Count	0
24309	Hydrogen_Bond_Donor_Count	1
16722120	Isotope_Atom_Count	0
68303	Exact_Mass	231.92906
2896	Structure_Complexity	178
488136	Hydrogen_Bond_Acceptor_Count	2
104285	Mono_Isotopic_Weight	213.99783514
4570	Hydrogen_Bond_Acceptor_Count	12
22704	Hydrogen_Bond_Acceptor_Count	5
520362	Covalent_Unit_Count	1
56649463	Total_Formal_Charge	0
2724277	Hydrogen_Bond_Donor_Count	0
3724921	Rotatable_Bond_Count	3
67108132	Total_Formal_Charge	0
8722	Defined_Atom_Stereo_Count	0
117810308	Non-hydrogen_Atom_Count	7
14926954	Undefined_Bond_Stereo_Count	0
3156	TPSA	32.8
91599894	Non-hydrogen_Atom_Count	8
54682468	Total_Formal_Charge	0
11565	XLogP3	1.8
64617	Molecular_Weight	276.37
135430996	Mono_Isotopic_Weight	565.24712380
138077	Isotope_Atom_Count	0
11654876	Mono_Isotopic_Weight	430.20049070
184821	Tautomer_Count	2
10823	Non-hydrogen_Atom_Count	8
67126	Defined_Bond_Stereo_Count	0
4302960	XLogP3-AA	4.8
5743835	Non-hydrogen_Atom_Count	19
9679	Isotope_Atom_Count	0
62705	TPSA	86.2
4479094	Defined_Bond_Stereo_Count	0
141024055	Mono_Isotopic_Weight	108.068748264
2383	Undefined_Bond_Stereo_Count	0
49869877	Undefined_Bond_Stereo_Count	0
39095	Exact_Mass	321.0767857
163325	Non-hydrogen_Atom_Count	6
11750474	Defined_Bond_Stereo_Count	0
34991	XLogP3-AA	1.9
14724482	TPSA	552
3529	Covalent_Unit_Count	1
10340798	Isotope_Atom_Count	0
856	Hydrogen_Bond_Acceptor_Count	1
54601825	Rotatable_Bond_Count	7
11962143	Undefined_Atom_Stereo_Count	0
15461361	Isotope_Atom_Count	0
134825744	Defined_Bond_Stereo_Count	0
141276996	Total_Formal_Charge	0
5282948	Non-hydrogen_Atom_Count	21
19406	TPSA	72.8
15412	Defined_Atom_Stereo_Count	0
698716	Undefined_Atom_Stereo_Count	0
5328	Defined_Atom_Stereo_Count	0
44201376	TPSA	87.6
53472683	TPSA	117
6917959	Defined_Bond_Stereo_Count	0
55067	Rotatable_Bond_Count	0
410865	Defined_Bond_Stereo_Count	0
5702183	Hydrogen_Bond_Donor_Count	2
132549482	Undefined_Bond_Stereo_Count	0
80466	Structure_Complexity	512
63400	Non-hydrogen_Atom_Count	24
5284631	Rotatable_Bond_Count	5
7667	Hydrogen_Bond_Donor_Count	0
742	Rotatable_Bond_Count	4
202	Defined_Bond_Stereo_Count	0
6918097	Covalent_Unit_Count	1
5282349	Mono_Isotopic_Weight	410.318480578
132327702	Non-hydrogen_Atom_Count	8
5288998	Isotope_Atom_Count	0
25670	Hydrogen_Bond_Donor_Count	0
348256	Isotope_Atom_Count	0
58599	Structure_Complexity	316
24813	Molecular_Weight	153.33
10500527	Mono_Isotopic_Weight	389.05447821
449459	Hydrogen_Bond_Acceptor_Count	3
66663660	Non-hydrogen_Atom_Count	7
70688569	Structure_Complexity	688
3047810	Non-hydrogen_Atom_Count	31
13250	Hydrogen_Bond_Donor_Count	3
139291782	Total_Formal_Charge	0
44631912	Hydrogen_Bond_Donor_Count	2
5282593	Defined_Bond_Stereo_Count	0
52949465	Undefined_Atom_Stereo_Count	0
102565432	Rotatable_Bond_Count	3
10081060	Mono_Isotopic_Weight	183.07390984
73759759	Molecular_Weight	909.1
12201383	Molecular_Weight	107.11
7428	XLogP3	0.9
24456	Mono_Isotopic_Weight	309.7946135
12407016	Non-hydrogen_Atom_Count	8
70240	Undefined_Bond_Stereo_Count	0
56927704	Defined_Atom_Stereo_Count	8
897177	Tautomer_Count	23
71464685	Molecular_Weight	478.5
5167	Covalent_Unit_Count	1
23689036	Defined_Bond_Stereo_Count	0
114849	Isotope_Atom_Count	0
11658353	Exact_Mass	170.105527694
53895224	Rotatable_Bond_Count	3
8923	Hydrogen_Bond_Donor_Count	1
5419	XLogP3-AA	1.8
23635314	Rotatable_Bond_Count	9
1062	XLogP3-AA	5.3
68089	Molecular_Weight	291.3
53869568	Isotope_Atom_Count	0
154517323	Total_Formal_Charge	0
1979	Mono_Isotopic_Weight	169.110278721
32468	TPSA	89.8
49837968	Rotatable_Bond_Count	3
2724259	Structure_Complexity	999
130128865	Defined_Bond_Stereo_Count	0
447476	Hydrogen_Bond_Donor_Count	4
5608	TPSA	306
9839190	XLogP3-AA	1.1
88705	Covalent_Unit_Count	1
1112	Exact_Mass	102.031694049
72871	Mono_Isotopic_Weight	178.062994177
69674281	Defined_Atom_Stereo_Count	0
14577976	Undefined_Atom_Stereo_Count	0
144182	Exact_Mass	108.093900383
13378766	Molecular_Weight	101.10
620984	Molecular_Weight	258.4
24643	Covalent_Unit_Count	9
26175	Rotatable_Bond_Count	3
31621	Molecular_Weight	300.4
23352	Hydrogen_Bond_Acceptor_Count	1
799432	Molecular_Weight	283.77
17884104	Isotope_Atom_Count	0
12705044	Defined_Bond_Stereo_Count	0
70730	Defined_Atom_Stereo_Count	0
538774	Hydrogen_Bond_Donor_Count	0
24705318	XLogP3-AA	1.2
66025	Hydrogen_Bond_Acceptor_Count	3
89855666	Undefined_Atom_Stereo_Count	3
3073200	Structure_Complexity	421
151348	Total_Formal_Charge	0
94233	Tautomer_Count	41
3234	Undefined_Bond_Stereo_Count	1
3662392	Tautomer_Count	2
3011723	Hydrogen_Bond_Acceptor_Count	5
23010495	Isotope_Atom_Count	0
15316554	Structure_Complexity	385
1810216	XLogP3-AA	0
65833	Mono_Isotopic_Weight	246.173213330
21822	Rotatable_Bond_Count	3
9875384	Covalent_Unit_Count	1
22349217	Molecular_Weight	268.48
668744	Exact_Mass	231.08954328
12486215	Molecular_Weight	191.23
88261	Exact_Mass	230.224580195
71309028	Non-hydrogen_Atom_Count	12
74231	Hydrogen_Bond_Donor_Count	0
160743752	Molecular_Weight	108.14
123751374	Undefined_Atom_Stereo_Count	1
1973	Mono_Isotopic_Weight	462.08037
5794	Mono_Isotopic_Weight	338.20932405
141583717	Mono_Isotopic_Weight	583.78329
42807	Non-hydrogen_Atom_Count	22
78414	Non-hydrogen_Atom_Count	16
4496	Tautomer_Count	2
145729	Hydrogen_Bond_Acceptor_Count	11
13245696	Structure_Complexity	103
107973	Mono_Isotopic_Weight	307.06095954
141300213	Non-hydrogen_Atom_Count	8
9500	Defined_Bond_Stereo_Count	0
135457035	XLogP3-AA	3.3
83644	XLogP3-AA	3.3
3240	Undefined_Bond_Stereo_Count	0
91	Non-hydrogen_Atom_Count	12
61691030	XLogP3-AA	0.1
163957061	Defined_Atom_Stereo_Count	0
132398486	Covalent_Unit_Count	1
21867279	Defined_Bond_Stereo_Count	0
192843	Defined_Bond_Stereo_Count	0
494023	Covalent_Unit_Count	1
69333796	Isotope_Atom_Count	0
34415	Covalent_Unit_Count	1
77687	Undefined_Bond_Stereo_Count	0
242436	Undefined_Atom_Stereo_Count	0
124762104	Molecular_Weight	342.30
629392	Undefined_Atom_Stereo_Count	0
57751150	Molecular_Weight	113.11
5280450	Mono_Isotopic_Weight	280.240230259
147577	Molecular_Weight	400.6
134839321	Molecular_Weight	905.0
44392124	Non-hydrogen_Atom_Count	36
251219	Undefined_Atom_Stereo_Count	1
1498	Hydrogen_Bond_Acceptor_Count	6
10347	Non-hydrogen_Atom_Count	14
82418959	Hydrogen_Bond_Acceptor_Count	3
77763	Defined_Bond_Stereo_Count	0
45452	Undefined_Atom_Stereo_Count	0
11957491	Total_Formal_Charge	0
6436003	Hydrogen_Bond_Donor_Count	2
98423	Defined_Bond_Stereo_Count	0
32897	Undefined_Atom_Stereo_Count	0
136705	Non-hydrogen_Atom_Count	6
13674270	Defined_Atom_Stereo_Count	0
656604	Mono_Isotopic_Weight	223.03368562
2724	Mono_Isotopic_Weight	245.0454856
138694	Defined_Bond_Stereo_Count	0
141169621	Rotatable_Bond_Count	0
11061	TPSA	45.6
442113	Undefined_Atom_Stereo_Count	0
78002	Isotope_Atom_Count	0
129991	Exact_Mass	367.0571129
19396	XLogP3	3.4
23305129	Hydrogen_Bond_Donor_Count	4
9810773	Isotope_Atom_Count	0
102515088	XLogP3-AA	4.8
141487201	Structure_Complexity	382
53388942	Hydrogen_Bond_Donor_Count	2
25070195	TPSA	67.9
4391	Mono_Isotopic_Weight	260.08307817
30143	Undefined_Bond_Stereo_Count	0
10430040	Isotope_Atom_Count	0
445258	Defined_Atom_Stereo_Count	1
17942984	Rotatable_Bond_Count	1
4564493	TPSA	46.5
3277600	Tautomer_Count	12
1564	Covalent_Unit_Count	1
8293	Isotope_Atom_Count	0
2676	Undefined_Bond_Stereo_Count	1
292	TPSA	301
11500273	Rotatable_Bond_Count	5
69333963	Defined_Bond_Stereo_Count	0
214339	XLogP3-AA	4
87985965	Non-hydrogen_Atom_Count	8
25015695	Isotope_Atom_Count	0
4996382	Isotope_Atom_Count	0
102361739	Total_Formal_Charge	0
16102855	Structure_Complexity	984
12303424	Non-hydrogen_Atom_Count	19
410865	Defined_Atom_Stereo_Count	0
69004	Mono_Isotopic_Weight	122.04015073
12661862	Covalent_Unit_Count	1
87446	Rotatable_Bond_Count	0
5281072	Undefined_Bond_Stereo_Count	0
12842598	Mono_Isotopic_Weight	87.068413911
129821327	Isotope_Atom_Count	0
6436633	Rotatable_Bond_Count	12
410806	Isotope_Atom_Count	0
8560	Total_Formal_Charge	0
131842051	Defined_Atom_Stereo_Count	4
6918412	Isotope_Atom_Count	0
11231942	Hydrogen_Bond_Donor_Count	1
28660	TPSA	50.1
67807	Defined_Bond_Stereo_Count	0
10772936	Defined_Atom_Stereo_Count	0
3073	Total_Formal_Charge	0
20056440	Rotatable_Bond_Count	4
692352	Non-hydrogen_Atom_Count	19
4881	Mono_Isotopic_Weight	510.97565224
36584	XLogP3	3.1
21356	Undefined_Bond_Stereo_Count	0
25100590	Undefined_Bond_Stereo_Count	0
12417	Rotatable_Bond_Count	1
67388618	Mono_Isotopic_Weight	392.17608748
12262509	Defined_Atom_Stereo_Count	1
129814671	Hydrogen_Bond_Acceptor_Count	3
14307964	Molecular_Weight	102.13
69347719	TPSA	53
3940691	Isotope_Atom_Count	0
445643	Structure_Complexity	1480
3086652	Undefined_Atom_Stereo_Count	0
179337	Isotope_Atom_Count	0
71382907	Total_Formal_Charge	0
6915944	Hydrogen_Bond_Donor_Count	4
53473572	XLogP3-AA	7.1
123470675	Hydrogen_Bond_Donor_Count	0
5045307	Hydrogen_Bond_Acceptor_Count	21
54278701	Isotope_Atom_Count	0
10125048	Mono_Isotopic_Weight	86.048012819
5360621	Exact_Mass	461.16858144
1305	Molecular_Weight	466.7
4042	Rotatable_Bond_Count	3
656954	XLogP3-AA	3.6
2775103	Hydrogen_Bond_Acceptor_Count	7
5284535	Tautomer_Count	9
11761584	Covalent_Unit_Count	1
7225	XLogP3-AA	2.2
34927	Undefined_Atom_Stereo_Count	0
296197	Molecular_Weight	292.33
91378988	Covalent_Unit_Count	1
7059	Defined_Bond_Stereo_Count	0
13012673	Covalent_Unit_Count	1
14026391	XLogP3-AA	1.4
694876	Hydrogen_Bond_Donor_Count	0
9551399	TPSA	81.4
21779642	Exact_Mass	118.029288751
63409	Covalent_Unit_Count	1
76229	Mono_Isotopic_Weight	184.088815002
68027290	Total_Formal_Charge	0
35367	Mono_Isotopic_Weight	112.125200510
121891	Hydrogen_Bond_Acceptor_Count	3
15139	Isotope_Atom_Count	0
516902	Tautomer_Count	1
12376	Defined_Bond_Stereo_Count	0
248898	XLogP3-AA	1.8
77797	Undefined_Atom_Stereo_Count	0
2724247	Mono_Isotopic_Weight	159.948143
92649	Structure_Complexity	271
12858475	Defined_Bond_Stereo_Count	0
99058	Tautomer_Count	10
11271640	Hydrogen_Bond_Acceptor_Count	4
19425	Total_Formal_Charge	0
20756463	Exact_Mass	306.07598141
23688907	Molecular_Weight	190.09
101047267	Total_Formal_Charge	0
71091807	Total_Formal_Charge	0
165079254	Hydrogen_Bond_Donor_Count	2
131874127	Total_Formal_Charge	2
3388301	Isotope_Atom_Count	0
10991161	Undefined_Atom_Stereo_Count	0
17805735	Exact_Mass	96.068748264
12285822	Rotatable_Bond_Count	3
118975693	Hydrogen_Bond_Acceptor_Count	2
75454	Undefined_Bond_Stereo_Count	0
3081362	Tautomer_Count	970
57780614	Hydrogen_Bond_Acceptor_Count	2
657085	Covalent_Unit_Count	1
53965310	Isotope_Atom_Count	0
24832095	Total_Formal_Charge	0
65728	Defined_Atom_Stereo_Count	8
13245709	Hydrogen_Bond_Acceptor_Count	1
131704172	Exact_Mass	668.09649
134694981	Isotope_Atom_Count	0
16217605	Hydrogen_Bond_Donor_Count	8
58604354	Structure_Complexity	92.5
11788284	Isotope_Atom_Count	0
8005	Exact_Mass	92.0392780
23690206	TPSA	176
68017365	TPSA	190
10219163	TPSA	394
3831	Undefined_Atom_Stereo_Count	5
596336	Isotope_Atom_Count	0
69589310	Undefined_Bond_Stereo_Count	0
96517	Isotope_Atom_Count	0
114801	Mono_Isotopic_Weight	116.083729621
25474	Undefined_Atom_Stereo_Count	0
23675737	Tautomer_Count	4
20583864	Exact_Mass	114.104465066
104902	Defined_Atom_Stereo_Count	6
611834	Non-hydrogen_Atom_Count	25
1486	Covalent_Unit_Count	1
129722587	Total_Formal_Charge	0
10138259	Rotatable_Bond_Count	6
65332	Isotope_Atom_Count	0
14299310	TPSA	46.2
71394753	Non-hydrogen_Atom_Count	20
9518	TPSA	26.3
102538	Hydrogen_Bond_Donor_Count	0
7828	Rotatable_Bond_Count	8
14120	Defined_Bond_Stereo_Count	0
13653	Hydrogen_Bond_Donor_Count	3
100516	Covalent_Unit_Count	1
126970904	Defined_Bond_Stereo_Count	0
2735071	Rotatable_Bond_Count	12
25076512	Molecular_Weight	1634.8
1441454	TPSA	45.5
85540	Undefined_Bond_Stereo_Count	0
18521	Undefined_Bond_Stereo_Count	0
3611	TPSA	37.3
51397976	TPSA	135
118855925	Defined_Atom_Stereo_Count	4
16221	Hydrogen_Bond_Acceptor_Count	1
21356	Hydrogen_Bond_Acceptor_Count	2
8219	Covalent_Unit_Count	1
9020	Undefined_Atom_Stereo_Count	0
11051610	XLogP3-AA	0.2
5200320	Structure_Complexity	56
22135	Defined_Atom_Stereo_Count	0
292661	Rotatable_Bond_Count	0
439501	Exact_Mass	584.28327683
41794	Hydrogen_Bond_Acceptor_Count	2
28429	Total_Formal_Charge	0
154514950	Defined_Atom_Stereo_Count	0
71800	Isotope_Atom_Count	1
123983	Non-hydrogen_Atom_Count	20
6506	Hydrogen_Bond_Donor_Count	1
9548889	Defined_Bond_Stereo_Count	0
137553932	Undefined_Atom_Stereo_Count	0
95162203	Rotatable_Bond_Count	4
556035	Undefined_Atom_Stereo_Count	2
11416	Non-hydrogen_Atom_Count	8
20275	Undefined_Bond_Stereo_Count	0
66545759	Undefined_Bond_Stereo_Count	0
6764	TPSA	59.9
70692444	Isotope_Atom_Count	0
57358782	Undefined_Bond_Stereo_Count	2
5355751	Isotope_Atom_Count	0
9817917	Mono_Isotopic_Weight	303.11538136
62347	Exact_Mass	142.04907545
68583	Structure_Complexity	901
68205	Tautomer_Count	5
98053	Undefined_Atom_Stereo_Count	1
17019	Molecular_Weight	271.15
6116	Isotope_Atom_Count	0
1057	Total_Formal_Charge	0
9821383	Rotatable_Bond_Count	9
84141	Non-hydrogen_Atom_Count	17
144998307	Structure_Complexity	149
10163178	XLogP3-AA	3.6
12775	Molecular_Weight	136.19
462368	Defined_Bond_Stereo_Count	0
574495	Structure_Complexity	682
11768526	Undefined_Bond_Stereo_Count	0
73415809	Exact_Mass	380.13818736
81093	Undefined_Atom_Stereo_Count	0
119	Undefined_Atom_Stereo_Count	0
543565	Rotatable_Bond_Count	3
139020	Covalent_Unit_Count	1
21271257	Undefined_Atom_Stereo_Count	0
96268	Non-hydrogen_Atom_Count	12
776461	Total_Formal_Charge	0
6965	XLogP3-AA	9
119097769	Defined_Atom_Stereo_Count	0
852	Defined_Bond_Stereo_Count	0
4666	Defined_Bond_Stereo_Count	0
11316094	Molecular_Weight	419.5
5355863	Rotatable_Bond_Count	6
12344	Hydrogen_Bond_Donor_Count	1
1242943	Structure_Complexity	615
96457	Isotope_Atom_Count	0
44427888	Non-hydrogen_Atom_Count	50
71469	Hydrogen_Bond_Donor_Count	14
356101	Covalent_Unit_Count	1
123400613	TPSA	9.2
51711	Isotope_Atom_Count	0
45488113	TPSA	58.7
1477	TPSA	107
10153996	Hydrogen_Bond_Donor_Count	1
145819	Tautomer_Count	1
398579	Undefined_Atom_Stereo_Count	0
70813	Hydrogen_Bond_Donor_Count	0
63119	Total_Formal_Charge	0
219095	Hydrogen_Bond_Donor_Count	1
130224237	Rotatable_Bond_Count	1
16132954	Covalent_Unit_Count	1
91878	Defined_Bond_Stereo_Count	0
20697439	Hydrogen_Bond_Acceptor_Count	2
8916	Mono_Isotopic_Weight	157.183049738
10887837	Defined_Bond_Stereo_Count	0
53487898	Rotatable_Bond_Count	111
11236560	Structure_Complexity	675
7551	Non-hydrogen_Atom_Count	16
144798	Tautomer_Count	1
837	Structure_Complexity	405
140473289	Covalent_Unit_Count	1
67811115	Non-hydrogen_Atom_Count	8
8102	Mono_Isotopic_Weight	101.120449483
14410	Undefined_Bond_Stereo_Count	0
75195	Total_Formal_Charge	0
16987	Molecular_Weight	252.61
11319053	Undefined_Bond_Stereo_Count	0
3017597	Tautomer_Count	2
40476	Hydrogen_Bond_Acceptor_Count	0
523	Hydrogen_Bond_Acceptor_Count	4
123650722	Defined_Atom_Stereo_Count	12
10021510	Undefined_Bond_Stereo_Count	0
8002585	Mono_Isotopic_Weight	235.12084340
4489	Non-hydrogen_Atom_Count	51
13000143	XLogP3	2.1
15122661	Undefined_Atom_Stereo_Count	1
53395259	Rotatable_Bond_Count	8
13245696	Total_Formal_Charge	0
20314	Hydrogen_Bond_Acceptor_Count	3
112499971	Covalent_Unit_Count	3
673	Mono_Isotopic_Weight	103.063328530
11116296	Exact_Mass	156.115029749
55560	Defined_Bond_Stereo_Count	0
24848191	Isotope_Atom_Count	0
31294	Isotope_Atom_Count	0
58054368	Total_Formal_Charge	0
147610634	Total_Formal_Charge	0
262	Undefined_Atom_Stereo_Count	2
9794126	Defined_Bond_Stereo_Count	0
7333	Mono_Isotopic_Weight	239.142247555
146159752	Mono_Isotopic_Weight	422.36670574
26482	Isotope_Atom_Count	0
81784	Tautomer_Count	1
9548696	Molecular_Weight	52.07
98044588	Isotope_Atom_Count	0
206347	Exact_Mass	692.20920291
90281906	Total_Formal_Charge	0
571982	XLogP3-AA	6.1
7428	Mono_Isotopic_Weight	184.03717335
10986277	Hydrogen_Bond_Donor_Count	1
16639	Non-hydrogen_Atom_Count	17
23653584	Total_Formal_Charge	0
116489251	Exact_Mass	114.068079557
15356533	Isotope_Atom_Count	0
23663403	Molecular_Weight	380.4
10355130	Molecular_Weight	257.76
24848382	Covalent_Unit_Count	1
123161	Rotatable_Bond_Count	0
105426931	Rotatable_Bond_Count	0
15166013	Covalent_Unit_Count	1
21787	Defined_Atom_Stereo_Count	0
13593982	Hydrogen_Bond_Donor_Count	1
44661643	Undefined_Atom_Stereo_Count	1
60196352	Undefined_Atom_Stereo_Count	0
79809	Undefined_Bond_Stereo_Count	0
6538989	Total_Formal_Charge	0
9417	Hydrogen_Bond_Acceptor_Count	4
87518	Exact_Mass	170.130679813
14017772	Non-hydrogen_Atom_Count	8
24820357	Undefined_Bond_Stereo_Count	0
10770	Structure_Complexity	268
85779440	Hydrogen_Bond_Donor_Count	0
25203302	Defined_Bond_Stereo_Count	0
17277	TPSA	92.8
42104317	Hydrogen_Bond_Acceptor_Count	5
135398595	Molecular_Weight	427.20
9270	Non-hydrogen_Atom_Count	28
12035	Hydrogen_Bond_Acceptor_Count	4
13362	Structure_Complexity	126
67240788	Exact_Mass	109.063997236
45358158	Covalent_Unit_Count	1
4911	Exact_Mass	285.10347926
11433190	Structure_Complexity	919
17572160	Defined_Bond_Stereo_Count	9
13245711	Rotatable_Bond_Count	0
57397461	Undefined_Atom_Stereo_Count	0
11219835	Undefined_Atom_Stereo_Count	0
3424274	Non-hydrogen_Atom_Count	11
135433604	Hydrogen_Bond_Acceptor_Count	4
4369579	Defined_Atom_Stereo_Count	1
6436924	Isotope_Atom_Count	0
25142309	Undefined_Bond_Stereo_Count	0
90297	Defined_Bond_Stereo_Count	0
15482356	Non-hydrogen_Atom_Count	8
54427	Tautomer_Count	2
93538	Undefined_Atom_Stereo_Count	3
90892	Defined_Atom_Stereo_Count	0
10685477	Non-hydrogen_Atom_Count	22
50128	Molecular_Weight	329.9
442482	TPSA	0
5758	Hydrogen_Bond_Acceptor_Count	2
8961	Isotope_Atom_Count	0
61553086	Exact_Mass	118.099379685
142624898	Total_Formal_Charge	0
22721510	Exact_Mass	109.016378338
1119	Exact_Mass	63.96190041
706529	Molecular_Weight	341.4
44629592	Rotatable_Bond_Count	14
9980241	Isotope_Atom_Count	0
91089723	Non-hydrogen_Atom_Count	7
26937	Covalent_Unit_Count	1
984355	Total_Formal_Charge	0
4369563	Hydrogen_Bond_Donor_Count	2
441285	Undefined_Bond_Stereo_Count	0
5377793	TPSA	49.1
20943	Undefined_Atom_Stereo_Count	3
21131011	Defined_Bond_Stereo_Count	0
9837124	Structure_Complexity	37.4
12048	Exact_Mass	100.125200510
344888	Hydrogen_Bond_Acceptor_Count	2
12180	Isotope_Atom_Count	0
164656	Molecular_Weight	104.15
3032282	TPSA	108
16080117	Isotope_Atom_Count	0
887830	Total_Formal_Charge	0
289460	Exact_Mass	228.09324893
8067	XLogP3-AA	2.3
105084	Rotatable_Bond_Count	1
91230338	Isotope_Atom_Count	0
71429293	Molecular_Weight	100.16
10980	Total_Formal_Charge	0
6918123	Isotope_Atom_Count	0
12758760	Total_Formal_Charge	0
13795005	TPSA	36
5282176	Defined_Bond_Stereo_Count	3
101289807	Rotatable_Bond_Count	0
536683	Defined_Bond_Stereo_Count	0
87642220	Hydrogen_Bond_Donor_Count	8
10456134	TPSA	101
141365	Defined_Atom_Stereo_Count	0
64727	XLogP3	3.5
489349	Non-hydrogen_Atom_Count	24
527031	Total_Formal_Charge	0
104605324	Defined_Bond_Stereo_Count	0
22323244	XLogP3-AA	1.7
12695793	Mono_Isotopic_Weight	99.104799419
60154327	Exact_Mass	319.0948358
923638	Hydrogen_Bond_Acceptor_Count	3
45268380	Rotatable_Bond_Count	3
12692921	Covalent_Unit_Count	1
5062	Structure_Complexity	559
2031	Non-hydrogen_Atom_Count	23
526	Defined_Bond_Stereo_Count	0
5035	Isotope_Atom_Count	0
88603	Rotatable_Bond_Count	7
10470475	Hydrogen_Bond_Donor_Count	1
21575	Mono_Isotopic_Weight	181.03750770
16222096	Structure_Complexity	624
43704	Undefined_Atom_Stereo_Count	0
446925	Isotope_Atom_Count	0
139089144	Total_Formal_Charge	0
5462306	Defined_Bond_Stereo_Count	0
138394128	Rotatable_Bond_Count	6
838844	Molecular_Weight	239.07
49806720	Covalent_Unit_Count	1
16821	Mono_Isotopic_Weight	198.161979940
123801117	Exact_Mass	110.109550447
36858	Tautomer_Count	1
2812	Rotatable_Bond_Count	4
67752	Undefined_Bond_Stereo_Count	0
423375	TPSA	53.3
53757199	Covalent_Unit_Count	1
89239	Molecular_Weight	130.26
129195194	Rotatable_Bond_Count	1
1805	TPSA	141
10090285	Undefined_Atom_Stereo_Count	0
17142	Hydrogen_Bond_Acceptor_Count	6
74735	Total_Formal_Charge	0
9819043	Hydrogen_Bond_Donor_Count	4
14880677	TPSA	33
5461	Isotope_Atom_Count	0
101543	Structure_Complexity	517
7907	Total_Formal_Charge	0
12671690	Defined_Bond_Stereo_Count	0
36431	Molecular_Weight	422.0
3696	Exact_Mass	280.193948774
405908	Exact_Mass	207.04663309
13707481	Undefined_Atom_Stereo_Count	0
67621	XLogP3-AA	2.8
57401371	Structure_Complexity	762
69912	Isotope_Atom_Count	0
56658718	Defined_Atom_Stereo_Count	0
44555481	Structure_Complexity	854
7007	Total_Formal_Charge	0
6445230	Hydrogen_Bond_Donor_Count	2
14435951	Hydrogen_Bond_Acceptor_Count	1
687818	Hydrogen_Bond_Donor_Count	2
52921770	Undefined_Atom_Stereo_Count	0
34756	Rotatable_Bond_Count	7
4163	TPSA	57.5
7002	Undefined_Bond_Stereo_Count	0
53877022	Hydrogen_Bond_Donor_Count	0
129873282	Molecular_Weight	112.13
18506387	Hydrogen_Bond_Donor_Count	2
66773	Hydrogen_Bond_Donor_Count	1
87535084	Mono_Isotopic_Weight	114.068079557
8259	Hydrogen_Bond_Acceptor_Count	1
5245884	Defined_Bond_Stereo_Count	0
1043	Total_Formal_Charge	0
11582982	Molecular_Weight	438.6
3032306	Defined_Atom_Stereo_Count	0
7156899	Tautomer_Count	1
3035406	Structure_Complexity	1900
84337	TPSA	47.6
21618	Covalent_Unit_Count	1
17432	Exact_Mass	245.918817
11680542	Covalent_Unit_Count	2
601439	Defined_Atom_Stereo_Count	0
10358218	Undefined_Atom_Stereo_Count	0
25199798	Rotatable_Bond_Count	2
4842	Hydrogen_Bond_Donor_Count	0
8916	Isotope_Atom_Count	0
540987	Isotope_Atom_Count	0
25142042	Defined_Atom_Stereo_Count	2
138375	Total_Formal_Charge	0
117217480	Mono_Isotopic_Weight	114.042927438
10893439	Undefined_Bond_Stereo_Count	0
57396953	Mono_Isotopic_Weight	631.31136402
72978296	Exact_Mass	115.063328530
25146	Rotatable_Bond_Count	8
393037	Defined_Bond_Stereo_Count	0
19835376	TPSA	29.1
16932	Hydrogen_Bond_Donor_Count	0
133688118	Isotope_Atom_Count	3
13180180	Undefined_Atom_Stereo_Count	0
25001850	Undefined_Atom_Stereo_Count	0
75634	Defined_Bond_Stereo_Count	0
38687	Total_Formal_Charge	0
84075989	Rotatable_Bond_Count	1
6723	XLogP3-AA	0.1
10457598	Non-hydrogen_Atom_Count	32
54738	Non-hydrogen_Atom_Count	19
162955687	Defined_Atom_Stereo_Count	10
165154847	Exact_Mass	112.052429494
534258	Exact_Mass	100.088815002
80554	Defined_Atom_Stereo_Count	0
44412186	Hydrogen_Bond_Acceptor_Count	2
23182417	Hydrogen_Bond_Donor_Count	1
134688803	Undefined_Bond_Stereo_Count	0
2724126	Isotope_Atom_Count	0
71825	Defined_Bond_Stereo_Count	0
16047027	Hydrogen_Bond_Donor_Count	5
445691	Non-hydrogen_Atom_Count	10
12171	Tautomer_Count	1
84215	Defined_Bond_Stereo_Count	0
95162416	Molecular_Weight	342.30
15983287	Hydrogen_Bond_Acceptor_Count	4
50587	Total_Formal_Charge	0
5463057	Undefined_Bond_Stereo_Count	0
68535	Undefined_Bond_Stereo_Count	0
444266	Molecular_Weight	116.07
62475	Structure_Complexity	153
136888	Covalent_Unit_Count	1
74370	Isotope_Atom_Count	0
45055378	Non-hydrogen_Atom_Count	26
121290450	Mono_Isotopic_Weight	112.052429494
13346655	Hydrogen_Bond_Acceptor_Count	2
69685	TPSA	45.5
129027658	Structure_Complexity	103
74209	Defined_Bond_Stereo_Count	0
3002335	Defined_Atom_Stereo_Count	0
129533	Rotatable_Bond_Count	3
137602	Hydrogen_Bond_Acceptor_Count	0
11062545	Exact_Mass	113.058911855
6923346	XLogP3	1.7
135925740	Defined_Bond_Stereo_Count	3
5786	XLogP3	3.4
78323	Defined_Bond_Stereo_Count	0
526624	Covalent_Unit_Count	1
444183	Exact_Mass	215.05587416
135476260	Undefined_Atom_Stereo_Count	4
71955	Structure_Complexity	278
247771	Exact_Mass	99.104799419
256591	TPSA	26.3
6473883	Exact_Mass	834.54530517
69840958	Non-hydrogen_Atom_Count	7
19829703	Non-hydrogen_Atom_Count	7
21988305	Molecular_Weight	85.07
7294	Undefined_Atom_Stereo_Count	0
6453	Rotatable_Bond_Count	6
12622120	Rotatable_Bond_Count	3
510	Rotatable_Bond_Count	0
194791	Non-hydrogen_Atom_Count	55
1640	Structure_Complexity	166
1146	Structure_Complexity	8
444899	Exact_Mass	304.240230259
18327808	Defined_Atom_Stereo_Count	0
5357258	Covalent_Unit_Count	1
69160	Covalent_Unit_Count	1
137747	Tautomer_Count	1
13961743	Defined_Bond_Stereo_Count	0
140409	Defined_Atom_Stereo_Count	0
3736	Non-hydrogen_Atom_Count	32
11292	Total_Formal_Charge	0
33341	Isotope_Atom_Count	0
163659459	Isotope_Atom_Count	0
145711648	Mono_Isotopic_Weight	106.053098200
20722789	Exact_Mass	120.043596145
10345790	Total_Formal_Charge	0
24027	Mono_Isotopic_Weight	377.0949343
71530	Total_Formal_Charge	1
123788466	Exact_Mass	95.048347172
78358485	Undefined_Atom_Stereo_Count	1
90953484	Mono_Isotopic_Weight	110.109550447
9883915	Undefined_Atom_Stereo_Count	0
6437377	Hydrogen_Bond_Acceptor_Count	8
67462100	Structure_Complexity	592
5360487	Defined_Bond_Stereo_Count	0
9870843	Defined_Atom_Stereo_Count	2
20096720	Mono_Isotopic_Weight	109.052763847
45085047	Defined_Atom_Stereo_Count	0
78892	Molecular_Weight	111.14
23274317	Undefined_Bond_Stereo_Count	0
440317	Rotatable_Bond_Count	8
6131	Total_Formal_Charge	0
2735038	Mono_Isotopic_Weight	114.031694049
315341	Covalent_Unit_Count	1
956	Hydrogen_Bond_Acceptor_Count	25
12468302	Defined_Atom_Stereo_Count	0
13778	Molecular_Weight	168.24
834562	Hydrogen_Bond_Donor_Count	1
10029919	Undefined_Bond_Stereo_Count	0
5205	Isotope_Atom_Count	0
160531	Exact_Mass	286.193280068
66184	Isotope_Atom_Count	0
3799953	Exact_Mass	78.03774543
148676572	Rotatable_Bond_Count	0
25273607	TPSA	68.4
144452917	Rotatable_Bond_Count	2
37933	Mono_Isotopic_Weight	412.2492707
5708	Hydrogen_Bond_Donor_Count	0
524627	Undefined_Atom_Stereo_Count	2
9953	Rotatable_Bond_Count	3
12226	Isotope_Atom_Count	0
22246713	TPSA	55.6
13945	Rotatable_Bond_Count	4
1347913	Exact_Mass	354.11167570
98442	Defined_Bond_Stereo_Count	0
62835	XLogP3-AA	0.4
16307	XLogP3	5.2
447877	Rotatable_Bond_Count	28
12025	Defined_Atom_Stereo_Count	0
21887872	Undefined_Bond_Stereo_Count	0
138891	TPSA	0
432760	Defined_Bond_Stereo_Count	0
33014	Non-hydrogen_Atom_Count	22
10909490	Undefined_Atom_Stereo_Count	0
66265	TPSA	12
4132	Undefined_Bond_Stereo_Count	0
10080354	TPSA	17.1
16720	Hydrogen_Bond_Acceptor_Count	2
30175	Hydrogen_Bond_Donor_Count	0
14644523	Undefined_Bond_Stereo_Count	0
10621	Structure_Complexity	940
2392	Hydrogen_Bond_Acceptor_Count	5
129634850	Exact_Mass	98.048012819
440967	Hydrogen_Bond_Donor_Count	0
12372797	Defined_Atom_Stereo_Count	0
160435425	Hydrogen_Bond_Donor_Count	0
451189	Non-hydrogen_Atom_Count	12
33255	Rotatable_Bond_Count	7
87293	Undefined_Bond_Stereo_Count	0
954767	Structure_Complexity	401
16637	Hydrogen_Bond_Acceptor_Count	1
44483163	XLogP3-AA	2.9
59116084	Structure_Complexity	151
35489	Defined_Bond_Stereo_Count	0
23688359	Total_Formal_Charge	0
123494194	Molecular_Weight	108.18
40784491	Mono_Isotopic_Weight	145.052763847
19646	Covalent_Unit_Count	1
91482	Defined_Bond_Stereo_Count	0
22603628	TPSA	63.3
56673673	XLogP3	1
21123040	Hydrogen_Bond_Donor_Count	4
24847	Exact_Mass	158.167065321
10953453	Defined_Atom_Stereo_Count	0
8135	Mono_Isotopic_Weight	108.093900383
142552	Non-hydrogen_Atom_Count	8
1740	Molecular_Weight	187.08
3710788	Structure_Complexity	66.5
328397	Undefined_Bond_Stereo_Count	0
1897	Undefined_Atom_Stereo_Count	2
643	Hydrogen_Bond_Acceptor_Count	3
2734996	Mono_Isotopic_Weight	360.833646
10993	XLogP3-AA	1.3
49865355	Undefined_Atom_Stereo_Count	0
57395973	Hydrogen_Bond_Acceptor_Count	4
24832091	Non-hydrogen_Atom_Count	31
7829	Undefined_Bond_Stereo_Count	0
67258976	Non-hydrogen_Atom_Count	8
27304	Isotope_Atom_Count	0
12116	Exact_Mass	230.07653624
132252	Hydrogen_Bond_Acceptor_Count	5
5282108	Structure_Complexity	282
10350561	Covalent_Unit_Count	1
3082780	Isotope_Atom_Count	0
84119	Total_Formal_Charge	0
10869981	XLogP3	3.5
9855448	Molecular_Weight	85.10
31269	Defined_Bond_Stereo_Count	0
122361564	Tautomer_Count	15
21306607	TPSA	12
26388	Non-hydrogen_Atom_Count	30
9862	Mono_Isotopic_Weight	126.104465066
136888457	Defined_Atom_Stereo_Count	0
6450551	Undefined_Atom_Stereo_Count	0
8871	Defined_Bond_Stereo_Count	0
11437710	Exact_Mass	289.07144843
17520	Isotope_Atom_Count	0
56948400	Hydrogen_Bond_Donor_Count	5
10407447	TPSA	12.5
13184	Hydrogen_Bond_Acceptor_Count	0
6917795	Tautomer_Count	1
18006111	Molecular_Weight	103.12
3010818	Exact_Mass	679.40573244
135421442	Molecular_Weight	516.7
123914282	Undefined_Bond_Stereo_Count	0
391	Isotope_Atom_Count	0
643786	Defined_Bond_Stereo_Count	2
61945	Exact_Mass	140.04081944
57399909	Undefined_Bond_Stereo_Count	0
7917	Non-hydrogen_Atom_Count	7
453	Isotope_Atom_Count	0
64510	Defined_Bond_Stereo_Count	0
26747	Molecular_Weight	373.5
2777993	Undefined_Atom_Stereo_Count	0
34521	Exact_Mass	207.08954328
83681	Molecular_Weight	202.32
117217480	Undefined_Bond_Stereo_Count	0
54041	Undefined_Atom_Stereo_Count	0
88402	Defined_Bond_Stereo_Count	0
25236	Molecular_Weight	367.5
6917949	Non-hydrogen_Atom_Count	77
529268	Non-hydrogen_Atom_Count	8
10290728	Undefined_Atom_Stereo_Count	0
24254	Exact_Mass	208.125200510
89219185	Structure_Complexity	61.1
18459757	Defined_Bond_Stereo_Count	0
16769	Rotatable_Bond_Count	5
11702315	Hydrogen_Bond_Donor_Count	1
13012252	Undefined_Bond_Stereo_Count	0
22811	Hydrogen_Bond_Acceptor_Count	2
56202	Isotope_Atom_Count	0
94599	Total_Formal_Charge	0
31448	Rotatable_Bond_Count	1
13123887	Hydrogen_Bond_Acceptor_Count	2
11095	Mono_Isotopic_Weight	288.06338810
71306415	Undefined_Bond_Stereo_Count	0
5076	TPSA	202
63958	Isotope_Atom_Count	0
6446	Total_Formal_Charge	0
13961743	Defined_Atom_Stereo_Count	0
9845622	Total_Formal_Charge	0
3300	Defined_Atom_Stereo_Count	0
124946	Undefined_Atom_Stereo_Count	0
9795056	Undefined_Atom_Stereo_Count	0
71783	Rotatable_Bond_Count	6
64646	Covalent_Unit_Count	5
2818146	Defined_Bond_Stereo_Count	0
91156	Exact_Mass	328.240230259
11710	Structure_Complexity	71
143184805	Total_Formal_Charge	0
126455659	TPSA	43.6
12359612	XLogP3-AA	1.7
101988841	Exact_Mass	17.0375768735
13140195	Defined_Atom_Stereo_Count	0
5328793	Undefined_Bond_Stereo_Count	0
6497	Non-hydrogen_Atom_Count	7
90488948	Tautomer_Count	6
157820065	Covalent_Unit_Count	1
23952	Total_Formal_Charge	0
94320	Covalent_Unit_Count	1
6914821	Tautomer_Count	4
24197462	Undefined_Bond_Stereo_Count	0
144021791	Non-hydrogen_Atom_Count	8
51136560	Non-hydrogen_Atom_Count	63
58318269	Molecular_Weight	284.35
136420	Non-hydrogen_Atom_Count	23
145994598	Mono_Isotopic_Weight	8268.3514156
123776311	Structure_Complexity	150
54676860	Defined_Atom_Stereo_Count	0
15932798	Isotope_Atom_Count	0
14815788	Defined_Bond_Stereo_Count	0
5363229	Defined_Bond_Stereo_Count	1
54266316	Hydrogen_Bond_Donor_Count	2
819291	Non-hydrogen_Atom_Count	8
7220	Defined_Bond_Stereo_Count	0
70693263	Molecular_Weight	502.0
23669238	Molecular_Weight	538.22
90472770	Total_Formal_Charge	0
94791	Total_Formal_Charge	0
71348	Mono_Isotopic_Weight	1155.48815915
39187	Undefined_Bond_Stereo_Count	0
461279	Hydrogen_Bond_Acceptor_Count	10
126011	Non-hydrogen_Atom_Count	28
107647	Total_Formal_Charge	0
6918653	Tautomer_Count	6
23725123	Molecular_Weight	350.4
5173	Exact_Mass	204.11100700
71645	Defined_Atom_Stereo_Count	0
96402	Molecular_Weight	279.2
24502	Tautomer_Count	1
130055354	Undefined_Bond_Stereo_Count	0
16051954	Covalent_Unit_Count	2
43813	Undefined_Atom_Stereo_Count	0
277826	Structure_Complexity	227
78016	Total_Formal_Charge	0
8439	Defined_Atom_Stereo_Count	0
57399614	Non-hydrogen_Atom_Count	37
9852188	Molecular_Weight	628.9
13908	Molecular_Weight	216.26
5458201	Hydrogen_Bond_Donor_Count	0
54015928	Undefined_Bond_Stereo_Count	1
66909	Molecular_Weight	262.33
161764	Structure_Complexity	585
2734217	Total_Formal_Charge	0
7201	Defined_Bond_Stereo_Count	0
12304613	Rotatable_Bond_Count	1
71446	Rotatable_Bond_Count	6
130991	Hydrogen_Bond_Acceptor_Count	9
5388983	Rotatable_Bond_Count	10
12559270	Total_Formal_Charge	0
6102820	Undefined_Atom_Stereo_Count	0
17852315	Non-hydrogen_Atom_Count	8
23698052	Covalent_Unit_Count	2
56605703	Undefined_Bond_Stereo_Count	1
54149606	Defined_Bond_Stereo_Count	0
56669107	Defined_Atom_Stereo_Count	0
13528	Mono_Isotopic_Weight	104.0028925
40426	Molecular_Weight	283.9
18597	Defined_Atom_Stereo_Count	0
941361	Non-hydrogen_Atom_Count	30
30550	Total_Formal_Charge	0
520540	Structure_Complexity	57
17816	Total_Formal_Charge	0
98365	Undefined_Bond_Stereo_Count	0
140291701	TPSA	63.3
522287	TPSA	9.2
118210179	Hydrogen_Bond_Acceptor_Count	4
6852400	Isotope_Atom_Count	0
20061	Defined_Bond_Stereo_Count	0
8566	Rotatable_Bond_Count	9
7801	Rotatable_Bond_Count	0
3437714	Non-hydrogen_Atom_Count	12
63104	Tautomer_Count	1
166	Total_Formal_Charge	0
20054948	Mono_Isotopic_Weight	569.29082182
13184281	Non-hydrogen_Atom_Count	8
20652538	Rotatable_Bond_Count	0
413518	Isotope_Atom_Count	0
9483	Defined_Atom_Stereo_Count	0
139086359	Total_Formal_Charge	0
44571915	Mono_Isotopic_Weight	433.0804889
44760	Exact_Mass	450.1743917
95162416	Defined_Bond_Stereo_Count	0
550206	TPSA	45.5
14919824	Exact_Mass	114.068079557
98493	Hydrogen_Bond_Donor_Count	0
659840	Tautomer_Count	3
11289630	TPSA	138
10966	XLogP3	1.5
3000346	Covalent_Unit_Count	1
249778	XLogP3-AA	0.1
101855556	Mono_Isotopic_Weight	368.08960285
257761	Hydrogen_Bond_Acceptor_Count	7
141034029	Mono_Isotopic_Weight	111.032028402
2375	Isotope_Atom_Count	0
136589	Rotatable_Bond_Count	0
127527	Total_Formal_Charge	0
4666	Undefined_Atom_Stereo_Count	11
135529432	Hydrogen_Bond_Donor_Count	3
9047	Structure_Complexity	376
30843	Non-hydrogen_Atom_Count	27
9881360	Isotope_Atom_Count	0
74826	Molecular_Weight	184.10
6917728	Hydrogen_Bond_Acceptor_Count	4
5311041	Mono_Isotopic_Weight	525.28522338
3033	XLogP3	4.4
8742	Total_Formal_Charge	0
848667	Tautomer_Count	2
893980	TPSA	48.2
529315	TPSA	9.2
138128	XLogP3-AA	0.5
12192	Tautomer_Count	1
10902277	Undefined_Bond_Stereo_Count	0
91486	Total_Formal_Charge	0
29742	Covalent_Unit_Count	1
9458	Rotatable_Bond_Count	3
224241	TPSA	9.2
5486998	TPSA	152
11648276	XLogP3-AA	5.3
44276024	Rotatable_Bond_Count	11
134925337	Defined_Bond_Stereo_Count	0
90425973	Defined_Atom_Stereo_Count	0
22459174	Mono_Isotopic_Weight	113.03375974
60746	Undefined_Atom_Stereo_Count	2
3869	Defined_Bond_Stereo_Count	0
5281951	Defined_Atom_Stereo_Count	0
1979	XLogP3-AA	0.7
3480138	Non-hydrogen_Atom_Count	36
21696506	Exact_Mass	109.03884512
74116	Mono_Isotopic_Weight	90.068079557
13871872	Defined_Bond_Stereo_Count	0
22601	Covalent_Unit_Count	1
40697	XLogP3-AA	4.5
91298692	Rotatable_Bond_Count	1
18510	Isotope_Atom_Count	0
59119	Non-hydrogen_Atom_Count	22
36131	Non-hydrogen_Atom_Count	24
12667	Non-hydrogen_Atom_Count	9
134070	Structure_Complexity	688
11518241	Structure_Complexity	647
10071747	XLogP3-AA	3
119032	TPSA	108
3484	Structure_Complexity	159
3496	Rotatable_Bond_Count	4
5276520	Undefined_Atom_Stereo_Count	0
625295	Defined_Atom_Stereo_Count	0
443944	Tautomer_Count	6
12729368	Defined_Bond_Stereo_Count	0
2723785	Isotope_Atom_Count	0
66908038	Defined_Atom_Stereo_Count	0
13529	TPSA	20.2
54601825	Structure_Complexity	1410
102102069	Exact_Mass	577.80232
5284462	TPSA	44.8
198382	Exact_Mass	175.0400063
8566	Isotope_Atom_Count	0
53818	Non-hydrogen_Atom_Count	21
122198135	Undefined_Atom_Stereo_Count	0
11069215	Exact_Mass	391.0448479
6950337	Undefined_Bond_Stereo_Count	0
5283389	XLogP3-AA	5.6
105426935	Undefined_Atom_Stereo_Count	1
6456015	Defined_Atom_Stereo_Count	1
63950	Total_Formal_Charge	0
285118	Tautomer_Count	1
16749605	Rotatable_Bond_Count	11
120574	Undefined_Atom_Stereo_Count	0
50112	Isotope_Atom_Count	0
840260	Isotope_Atom_Count	0
10287749	Undefined_Bond_Stereo_Count	0
21743	Isotope_Atom_Count	0
131674879	Hydrogen_Bond_Acceptor_Count	16
4906	Tautomer_Count	3
5287971	Rotatable_Bond_Count	40
91393578	Mono_Isotopic_Weight	97.089149355
16654936	Hydrogen_Bond_Donor_Count	5
440959	Mono_Isotopic_Weight	161.06880783
13214429	TPSA	50.6
69779	TPSA	52.6
56842239	Covalent_Unit_Count	3
676243	Molecular_Weight	331.4
23749	Tautomer_Count	1
7306	Hydrogen_Bond_Donor_Count	2
18384	Covalent_Unit_Count	1
65098	Defined_Bond_Stereo_Count	0
69845	Molecular_Weight	151.19
2675	Mono_Isotopic_Weight	453.04129018
5742590	Undefined_Bond_Stereo_Count	0
20974	Defined_Bond_Stereo_Count	0
98650	Defined_Bond_Stereo_Count	0
361610	Molecular_Weight	293.27
53321035	Undefined_Bond_Stereo_Count	0
59777381	Non-hydrogen_Atom_Count	8
249187	Hydrogen_Bond_Acceptor_Count	10
543664	Undefined_Bond_Stereo_Count	0
3777	Undefined_Bond_Stereo_Count	1
74431	Defined_Atom_Stereo_Count	0
54586720	Defined_Bond_Stereo_Count	0
5169496	TPSA	110
18660697	Hydrogen_Bond_Acceptor_Count	9
1093	Undefined_Bond_Stereo_Count	0
104930	Defined_Bond_Stereo_Count	0
83822	Isotope_Atom_Count	0
25058173	Total_Formal_Charge	0
76476	Mono_Isotopic_Weight	255.12907007
60702934	Covalent_Unit_Count	1
89590	Mono_Isotopic_Weight	164.083729621
11543746	Hydrogen_Bond_Donor_Count	1
124946	Molecular_Weight	438.4
15256327	Covalent_Unit_Count	1
21078422	Total_Formal_Charge	0
71622	Defined_Atom_Stereo_Count	0
21490219	Mono_Isotopic_Weight	101.084063974
12956087	Rotatable_Bond_Count	0
741	Total_Formal_Charge	0
70695640	TPSA	0
558521	Covalent_Unit_Count	1
1809	Total_Formal_Charge	0
35740	Mono_Isotopic_Weight	1287.5856
91500	Total_Formal_Charge	0
62739	Rotatable_Bond_Count	3
12622583	Molecular_Weight	110.20
31348	Defined_Atom_Stereo_Count	0
55287849	Undefined_Atom_Stereo_Count	1
5798	Rotatable_Bond_Count	0
82418980	Covalent_Unit_Count	1
16486	Total_Formal_Charge	0
78486	XLogP3-AA	1.1
71448903	TPSA	389
10903	Defined_Bond_Stereo_Count	0
65501	Defined_Bond_Stereo_Count	0
706054	Exact_Mass	278.153146591
2724259	Isotope_Atom_Count	0
102115685	Structure_Complexity	102
136716	Total_Formal_Charge	0
34695	Total_Formal_Charge	0
1323703	TPSA	98.2
6299	XLogP3	6.4
57586910	Defined_Bond_Stereo_Count	0
153791162	Defined_Atom_Stereo_Count	0
90754	Exact_Mass	299.1189253
60668	Rotatable_Bond_Count	7
398675	Molecular_Weight	461.6
24868320	Non-hydrogen_Atom_Count	39
42761	Rotatable_Bond_Count	5
58137106	Isotope_Atom_Count	0
11664966	Undefined_Bond_Stereo_Count	0
11962616	Exact_Mass	460.21736377
35384	Defined_Atom_Stereo_Count	0
98092	Mono_Isotopic_Weight	318.06003405
9866186	TPSA	57.5
57645443	Exact_Mass	215.01407663
5281771	Covalent_Unit_Count	1
68485856	Defined_Atom_Stereo_Count	0
70377524	Undefined_Bond_Stereo_Count	0
443380	Mono_Isotopic_Weight	399.22570239
75322	Undefined_Atom_Stereo_Count	0
11778544	Undefined_Atom_Stereo_Count	0
131709170	TPSA	476
71898	Total_Formal_Charge	0
23038090	Isotope_Atom_Count	0
69026	Molecular_Weight	218.83
145731381	Rotatable_Bond_Count	13
632910	Covalent_Unit_Count	1
10253728	Undefined_Atom_Stereo_Count	0
166144333	Defined_Bond_Stereo_Count	0
4571243	XLogP3-AA	4.2
100984821	Rotatable_Bond_Count	52
19860177	Rotatable_Bond_Count	3
5464436	Exact_Mass	389.14993230
13964915	Mono_Isotopic_Weight	342.18310931
13654	Total_Formal_Charge	0
14179013	Structure_Complexity	1120
3068143	Total_Formal_Charge	0
60342	Non-hydrogen_Atom_Count	20
74828	Hydrogen_Bond_Donor_Count	1
31679	Non-hydrogen_Atom_Count	30
99730	TPSA	1
196330	Undefined_Bond_Stereo_Count	0
95559	Molecular_Weight	114.14
9980551	XLogP3-AA	3.8
15431	Mono_Isotopic_Weight	98.109550447
1450	Covalent_Unit_Count	1
16213711	Isotope_Atom_Count	0
135509147	Covalent_Unit_Count	1
66545742	Undefined_Atom_Stereo_Count	0
15564	Mono_Isotopic_Weight	242.109550447
6451477	Exact_Mass	94.041864811
131954786	Exact_Mass	3356.8220541
134825522	Defined_Bond_Stereo_Count	0
9823180	Isotope_Atom_Count	0
3009	Exact_Mass	182.08668395
49865493	Defined_Bond_Stereo_Count	0
5457	Hydrogen_Bond_Donor_Count	0
439498	Isotope_Atom_Count	0
3083444	Tautomer_Count	1
154525053	Molecular_Weight	106.16
58002108	Defined_Bond_Stereo_Count	0
57470515	Hydrogen_Bond_Donor_Count	2
2795887	Undefined_Atom_Stereo_Count	0
40240	Defined_Atom_Stereo_Count	2
5365992	Non-hydrogen_Atom_Count	18
44338843	Covalent_Unit_Count	1
91420197	Undefined_Atom_Stereo_Count	0
303892	Exact_Mass	260.06023127
52939724	TPSA	37.3
99894	Defined_Bond_Stereo_Count	0
5284469	Total_Formal_Charge	0
34	Hydrogen_Bond_Donor_Count	1
92363	Structure_Complexity	136
117899707	Defined_Bond_Stereo_Count	0
86211	Structure_Complexity	387
5282242	Molecular_Weight	410.4
129826843	Undefined_Bond_Stereo_Count	0
42337	Hydrogen_Bond_Acceptor_Count	3
67350	Exact_Mass	266.12665706
6918653	Undefined_Bond_Stereo_Count	0
139580	Defined_Bond_Stereo_Count	0
524217	Isotope_Atom_Count	0
124037382	Covalent_Unit_Count	1
44323204	Structure_Complexity	1520
159169	Exact_Mass	284.03208797
275784	Molecular_Weight	656.7
71012	Isotope_Atom_Count	0
54445181	Undefined_Atom_Stereo_Count	0
17043	Structure_Complexity	102
53309	Covalent_Unit_Count	1
969491	Undefined_Bond_Stereo_Count	0
9366	Undefined_Bond_Stereo_Count	0
9866622	TPSA	60.7
13265779	Defined_Bond_Stereo_Count	0
12160932	Defined_Atom_Stereo_Count	0
130443287	Hydrogen_Bond_Donor_Count	5
67113727	Rotatable_Bond_Count	2
24958200	Structure_Complexity	449
44310763	XLogP3-AA	3.8
74255	Undefined_Bond_Stereo_Count	0
297618	Covalent_Unit_Count	1
55285	Hydrogen_Bond_Acceptor_Count	4
2992	Exact_Mass	212.10485899
80884	Rotatable_Bond_Count	9
4342	Undefined_Bond_Stereo_Count	0
53956489	Non-hydrogen_Atom_Count	7
66435	Rotatable_Bond_Count	2
92110	Rotatable_Bond_Count	4
4283516	Tautomer_Count	1
12304	Total_Formal_Charge	0
53774272	Hydrogen_Bond_Acceptor_Count	1
6169	Undefined_Atom_Stereo_Count	0
58436	Tautomer_Count	2
20093437	Covalent_Unit_Count	1
2783289	Undefined_Bond_Stereo_Count	0
16129620	Covalent_Unit_Count	1
1745	Molecular_Weight	98.10
32681	Defined_Atom_Stereo_Count	6
13163	Total_Formal_Charge	0
24967621	Hydrogen_Bond_Acceptor_Count	4
13530219	Mono_Isotopic_Weight	110.073164938
10224181	XLogP3-AA	4.1
135565843	Exact_Mass	315.0556736
23616669	Hydrogen_Bond_Donor_Count	1
5289547	Molecular_Weight	344.5
15583	Total_Formal_Charge	0
86278165	Non-hydrogen_Atom_Count	50
529031	Covalent_Unit_Count	1
444614	Undefined_Atom_Stereo_Count	1
25246274	Covalent_Unit_Count	1
5375199	Tautomer_Count	5
61057	Exact_Mass	184.182715385
62751	Undefined_Atom_Stereo_Count	0
12704941	Covalent_Unit_Count	1
21946437	Total_Formal_Charge	0
77662	Isotope_Atom_Count	0
137117239	Molecular_Weight	835.0
4099	Isotope_Atom_Count	0
58475	Hydrogen_Bond_Acceptor_Count	2
138440	TPSA	37.3
71300726	Covalent_Unit_Count	5
5402	Defined_Atom_Stereo_Count	0
85542272	Rotatable_Bond_Count	2
643587	Hydrogen_Bond_Acceptor_Count	0
123658	Covalent_Unit_Count	1
719704	Rotatable_Bond_Count	4
56270	XLogP3	1.5
12731	Exact_Mass	148.023320
56828	Rotatable_Bond_Count	9
53315110	Undefined_Bond_Stereo_Count	0
143291	Exact_Mass	116.083729621
135565082	Defined_Atom_Stereo_Count	2
52945793	Non-hydrogen_Atom_Count	30
124770286	Hydrogen_Bond_Acceptor_Count	14
156410	Total_Formal_Charge	0
53881057	Hydrogen_Bond_Acceptor_Count	2
135925739	Mono_Isotopic_Weight	876.45207349
133562767	Rotatable_Bond_Count	18
60196325	Rotatable_Bond_Count	4
144531850	Mono_Isotopic_Weight	109.063997236
86583	TPSA	20.2
21227	Exact_Mass	114.068079557
10430	XLogP3	1.2
40468194	Isotope_Atom_Count	0
15050	Molecular_Weight	120.15
5361090	Hydrogen_Bond_Acceptor_Count	3
73782	XLogP3	2.9
3023651	Isotope_Atom_Count	0
76735	TPSA	139
50896	Defined_Bond_Stereo_Count	0
143565	Rotatable_Bond_Count	1
37570	Exact_Mass	548.2064763
4630917	Exact_Mass	245.177964357
220773	TPSA	52.6
146683214	Total_Formal_Charge	0
2762919	Rotatable_Bond_Count	0
135724	Defined_Bond_Stereo_Count	0
32350	Hydrogen_Bond_Acceptor_Count	12
54291205	Rotatable_Bond_Count	0
10160166	Non-hydrogen_Atom_Count	31
44571868	Structure_Complexity	568
10885665	Non-hydrogen_Atom_Count	35
49789564	Mono_Isotopic_Weight	298.12521776
776222	Mono_Isotopic_Weight	182.084398327
5111	Hydrogen_Bond_Donor_Count	2
718449	Isotope_Atom_Count	0
137699570	Hydrogen_Bond_Acceptor_Count	14
522216	Isotope_Atom_Count	0
8506	Hydrogen_Bond_Donor_Count	2
23497	Covalent_Unit_Count	1
59704100	Rotatable_Bond_Count	0
69689	Defined_Bond_Stereo_Count	0
82325	Hydrogen_Bond_Acceptor_Count	8
17963196	Total_Formal_Charge	0
54608115	Exact_Mass	2164.9548554
524646	Defined_Atom_Stereo_Count	0
9989023	Defined_Atom_Stereo_Count	6
16130957	Mono_Isotopic_Weight	1568.8423034
67954	Undefined_Bond_Stereo_Count	1
60196374	Mono_Isotopic_Weight	206.04186
21843609	Rotatable_Bond_Count	2
10325	TPSA	0
19997	Isotope_Atom_Count	0
38088	Hydrogen_Bond_Acceptor_Count	3
79050	Total_Formal_Charge	0
137375527	Mono_Isotopic_Weight	406.04292
18345891	Defined_Atom_Stereo_Count	1
9577986	Defined_Bond_Stereo_Count	1
536643	Covalent_Unit_Count	1
5364752	Exact_Mass	84.057514874
22132183	Non-hydrogen_Atom_Count	8
35740	Isotope_Atom_Count	0
25181472	Undefined_Bond_Stereo_Count	0
17787	Defined_Atom_Stereo_Count	0
71872	Undefined_Atom_Stereo_Count	1
62380	Defined_Atom_Stereo_Count	0
19137	Undefined_Atom_Stereo_Count	0
70014	Undefined_Atom_Stereo_Count	0
3567443	XLogP3-AA	2.3
71720884	Covalent_Unit_Count	1
6433718	Molecular_Weight	829.6
66898	Exact_Mass	207.09291458
11656518	Hydrogen_Bond_Donor_Count	2
21516003	Non-hydrogen_Atom_Count	7
130150414	Isotope_Atom_Count	0
23948	Hydrogen_Bond_Acceptor_Count	0
5504	Non-hydrogen_Atom_Count	12
23479	Tautomer_Count	1
17273	Non-hydrogen_Atom_Count	35
307975	Hydrogen_Bond_Donor_Count	1
65682	Mono_Isotopic_Weight	163.136099547
13285795	Total_Formal_Charge	0
135471308	Rotatable_Bond_Count	0
523224	Rotatable_Bond_Count	0
21228	Exact_Mass	104.06597156
22706689	Rotatable_Bond_Count	1
608	Exact_Mass	178.04773803
431631	Molecular_Weight	100.12
79919	Total_Formal_Charge	0
7393	Structure_Complexity	115
53856389	XLogP3-AA	1.1
75194	Non-hydrogen_Atom_Count	30
3081386	Defined_Atom_Stereo_Count	8
10747	Undefined_Atom_Stereo_Count	1
28131	Molecular_Weight	231.67
18941761	Total_Formal_Charge	0
15909	Isotope_Atom_Count	0
41721	Covalent_Unit_Count	2
6420023	Isotope_Atom_Count	0
12586	Hydrogen_Bond_Donor_Count	0
91394869	Structure_Complexity	80.1
147246033	Mono_Isotopic_Weight	98.073164938
16683023	Defined_Atom_Stereo_Count	0
24706	Structure_Complexity	1110
12389638	Undefined_Atom_Stereo_Count	0
10758	Isotope_Atom_Count	0
71391467	Hydrogen_Bond_Acceptor_Count	1
245005	XLogP3-AA	0.3
1549237	Hydrogen_Bond_Donor_Count	0
154225133	Exact_Mass	115.026943022
137843	Structure_Complexity	157
23670770	Non-hydrogen_Atom_Count	27
426409	Defined_Bond_Stereo_Count	0
43806	Exact_Mass	114.115698455
11865437	Mono_Isotopic_Weight	342.11621151
9616	Rotatable_Bond_Count	7
176167	Isotope_Atom_Count	0
14957	Molecular_Weight	548.6
499988	Non-hydrogen_Atom_Count	30
11815296	Isotope_Atom_Count	0
5020	Total_Formal_Charge	0
11583	Mono_Isotopic_Weight	100.088815002
75605138	Rotatable_Bond_Count	6
33778657	Undefined_Atom_Stereo_Count	0
70995	Isotope_Atom_Count	0
70240	Hydrogen_Bond_Acceptor_Count	5
19778654	Hydrogen_Bond_Donor_Count	1
13112619	Non-hydrogen_Atom_Count	6
7341	Molecular_Weight	116.16
16214946	XLogP3-AA	4.5
2724032	Structure_Complexity	191
89268685	Covalent_Unit_Count	1
695	Rotatable_Bond_Count	4
6590	Mono_Isotopic_Weight	88.052429494
67683363	Total_Formal_Charge	0
71458869	Total_Formal_Charge	0
34698	Total_Formal_Charge	0
22725651	Structure_Complexity	119
9570376	Hydrogen_Bond_Acceptor_Count	4
12340	Total_Formal_Charge	0
151419	Non-hydrogen_Atom_Count	19
22833341	Mono_Isotopic_Weight	554.016873
60169	Rotatable_Bond_Count	29
642661	Isotope_Atom_Count	0
69647192	Structure_Complexity	115
28774	Undefined_Bond_Stereo_Count	0
23973	Rotatable_Bond_Count	0
12231415	Rotatable_Bond_Count	1
439501	Hydrogen_Bond_Donor_Count	8
44384855	Defined_Atom_Stereo_Count	0
65432	Non-hydrogen_Atom_Count	8
129720364	Hydrogen_Bond_Donor_Count	3
5362440	XLogP3-AA	2.8
447234	Hydrogen_Bond_Acceptor_Count	4
521355	Rotatable_Bond_Count	3
403802	Undefined_Bond_Stereo_Count	0
22706689	Hydrogen_Bond_Acceptor_Count	0
74766064	Total_Formal_Charge	0
121893	TPSA	138
273577	Structure_Complexity	272
284240	Hydrogen_Bond_Donor_Count	2
3417419	Undefined_Atom_Stereo_Count	0
12253800	Isotope_Atom_Count	0
6434217	Hydrogen_Bond_Donor_Count	0
169371	Exact_Mass	440.15566577
24530	Isotope_Atom_Count	0
122130476	Defined_Bond_Stereo_Count	2
440068	XLogP3-AA	5.6
52946966	Mono_Isotopic_Weight	422.15543222
135436520	TPSA	393
129635186	Molecular_Weight	791.5
12302695	Hydrogen_Bond_Acceptor_Count	11
221387	Isotope_Atom_Count	0
91168430	TPSA	38.6
63245	TPSA	32.7
13511919	Isotope_Atom_Count	0
122172945	XLogP3-AA	7.5
738033	Total_Formal_Charge	0
73227	Hydrogen_Bond_Acceptor_Count	2
465069	Non-hydrogen_Atom_Count	18
657	Undefined_Bond_Stereo_Count	0
90530	Covalent_Unit_Count	1
102182857	Mono_Isotopic_Weight	358.1926522
135983	Isotope_Atom_Count	0
9578243	Undefined_Atom_Stereo_Count	0
254	Structure_Complexity	175
37175	Defined_Atom_Stereo_Count	0
6440940	Non-hydrogen_Atom_Count	17
54372438	Molecular_Weight	100.12
9949641	Undefined_Atom_Stereo_Count	0
1017	Covalent_Unit_Count	1
9854489	Defined_Atom_Stereo_Count	9
75854	Tautomer_Count	1
10285778	Rotatable_Bond_Count	2
8631	Tautomer_Count	7
66708	Hydrogen_Bond_Acceptor_Count	2
687818	Rotatable_Bond_Count	5
22221739	Exact_Mass	98.036779430
12472	Covalent_Unit_Count	1
91663303	Rotatable_Bond_Count	9
129010376	Hydrogen_Bond_Acceptor_Count	5
75530159	Undefined_Atom_Stereo_Count	0
20188397	Defined_Atom_Stereo_Count	0
53167	Tautomer_Count	3
10964417	Mono_Isotopic_Weight	95.073499291
22181493	Exact_Mass	96.068748264
11954316	Molecular_Weight	766.3
61315	Total_Formal_Charge	0
88855	TPSA	69.7
132892	XLogP3-AA	2.7
130554248	XLogP3-AA	0.8
11869	Structure_Complexity	98.9
3851247	XLogP3-AA	4.6
165345	Total_Formal_Charge	0
71486	Covalent_Unit_Count	2
94306	Mono_Isotopic_Weight	154.062994177
9076	Undefined_Bond_Stereo_Count	0
75548	Hydrogen_Bond_Donor_Count	2
14895679	Isotope_Atom_Count	0
16679	Isotope_Atom_Count	0
141516912	Rotatable_Bond_Count	1
21100	Mono_Isotopic_Weight	197.10519334
6594	Hydrogen_Bond_Acceptor_Count	3
1481	Rotatable_Bond_Count	10
5284556	Molecular_Weight	144.60
73229	Covalent_Unit_Count	1
7674	Mono_Isotopic_Weight	122.073164938
8315	Covalent_Unit_Count	1
10820486	Molecular_Weight	110.11
124031668	TPSA	26
65399	Structure_Complexity	507
23394557	Undefined_Bond_Stereo_Count	0
131810	Rotatable_Bond_Count	18
169235	Non-hydrogen_Atom_Count	17
13428	Molecular_Weight	260.9
20502	Total_Formal_Charge	0
47703	Molecular_Weight	284.4
2734664	Hydrogen_Bond_Acceptor_Count	1
3085101	Hydrogen_Bond_Acceptor_Count	2
5318386	Hydrogen_Bond_Donor_Count	1
84647615	Defined_Bond_Stereo_Count	0
12735404	TPSA	49.3
978766	Covalent_Unit_Count	1
120095	Defined_Atom_Stereo_Count	0
16065391	Structure_Complexity	629
454844	Isotope_Atom_Count	0
124809078	Isotope_Atom_Count	0
398745	Exact_Mass	308.12348643
167785	Tautomer_Count	3
36305	TPSA	64
65092	XLogP3-AA	0.6
10376445	Undefined_Bond_Stereo_Count	0
7270	Undefined_Bond_Stereo_Count	0
49868036	Hydrogen_Bond_Acceptor_Count	21
134824657	Non-hydrogen_Atom_Count	38
18596	TPSA	40.1
71414	Non-hydrogen_Atom_Count	35
3000450	Hydrogen_Bond_Acceptor_Count	6
102515	Total_Formal_Charge	0
53912836	Exact_Mass	99.043261792
11108856	Covalent_Unit_Count	1
135403803	Defined_Atom_Stereo_Count	0
10221470	Mono_Isotopic_Weight	284.16237386
51953	Undefined_Atom_Stereo_Count	0
37910	Defined_Atom_Stereo_Count	0
38882	Rotatable_Bond_Count	4
17820197	Hydrogen_Bond_Donor_Count	0
20782632	Total_Formal_Charge	0
3388710	Undefined_Bond_Stereo_Count	0
128423	TPSA	42.4
5361463	Molecular_Weight	429.1
262612	TPSA	37.3
5462077	Defined_Atom_Stereo_Count	2
135398752	Isotope_Atom_Count	0
12891182	Total_Formal_Charge	0
51072180	Mono_Isotopic_Weight	99.068413911
25271818	Non-hydrogen_Atom_Count	25
529	Covalent_Unit_Count	1
13440628	Defined_Bond_Stereo_Count	0
16490	Undefined_Atom_Stereo_Count	0
24763119	Rotatable_Bond_Count	5
13110223	Hydrogen_Bond_Donor_Count	0
102090390	Tautomer_Count	1
129769827	TPSA	38.4
1234	Molecular_Weight	484.6
72760	TPSA	98.8
60196273	Rotatable_Bond_Count	2
60196273	Hydrogen_Bond_Acceptor_Count	5
1341	Mono_Isotopic_Weight	378.24062418
646135	Total_Formal_Charge	0
153754883	Isotope_Atom_Count	0
65757	Tautomer_Count	2
99816	Total_Formal_Charge	0
6913	Total_Formal_Charge	0
72054	Undefined_Bond_Stereo_Count	0
10035228	Exact_Mass	181.06674293
53394791	Defined_Atom_Stereo_Count	0
7725	Exact_Mass	120.057514874
10337330	Rotatable_Bond_Count	6
409642	Structure_Complexity	349
85792	Undefined_Bond_Stereo_Count	0
3033968	Hydrogen_Bond_Donor_Count	1
2984	Undefined_Atom_Stereo_Count	0
13294594	Defined_Atom_Stereo_Count	0
3063	Undefined_Atom_Stereo_Count	5
5289547	Defined_Atom_Stereo_Count	6
104726	Defined_Atom_Stereo_Count	0
21430458	Mono_Isotopic_Weight	117.078978594
440141	Undefined_Bond_Stereo_Count	0
145438	Defined_Bond_Stereo_Count	0
10197625	Structure_Complexity	30.7
95367	Exact_Mass	102.068079557
441414	Defined_Atom_Stereo_Count	4
129630288	Rotatable_Bond_Count	4
20387231	Isotope_Atom_Count	0
23665874	Non-hydrogen_Atom_Count	17
2734903	Hydrogen_Bond_Donor_Count	0
2734411	Exact_Mass	787.03934194
21490213	Undefined_Bond_Stereo_Count	0
5282403	Hydrogen_Bond_Donor_Count	2
134715513	Covalent_Unit_Count	2
24850	Defined_Bond_Stereo_Count	0
8395	Hydrogen_Bond_Acceptor_Count	5
55300572	Structure_Complexity	126
55278707	Non-hydrogen_Atom_Count	7
6837	Rotatable_Bond_Count	2
5730	Hydrogen_Bond_Donor_Count	3
15306	Exact_Mass	86.073164938
78090	Undefined_Bond_Stereo_Count	0
37464	Hydrogen_Bond_Donor_Count	2
44557636	Rotatable_Bond_Count	3
24199313	Rotatable_Bond_Count	12
21450089	Rotatable_Bond_Count	2
155925852	Isotope_Atom_Count	0
12339648	Undefined_Bond_Stereo_Count	0
16005262	Isotope_Atom_Count	0
5709222	Hydrogen_Bond_Donor_Count	0
2776666	Covalent_Unit_Count	1
24891701	Hydrogen_Bond_Donor_Count	2
129722292	Non-hydrogen_Atom_Count	13
2773	Molecular_Weight	159.21
90916291	Non-hydrogen_Atom_Count	6
17166	TPSA	17.1
5280880	Undefined_Atom_Stereo_Count	0
46220502	Exact_Mass	506.27179938
128024	Covalent_Unit_Count	1
66558601	Covalent_Unit_Count	1
71744	Rotatable_Bond_Count	6
10126299	Isotope_Atom_Count	0
12933751	Non-hydrogen_Atom_Count	8
92722	Rotatable_Bond_Count	9
70695634	TPSA	96.2
688356	Total_Formal_Charge	0
1232710	Exact_Mass	453.20524173
38207	XLogP3-AA	3.6
98043898	Hydrogen_Bond_Donor_Count	3
44318267	Rotatable_Bond_Count	6
595875	Isotope_Atom_Count	0
44414775	Rotatable_Bond_Count	3
36486	Non-hydrogen_Atom_Count	12
3058754	Hydrogen_Bond_Acceptor_Count	8
15004706	Isotope_Atom_Count	0
6866	Hydrogen_Bond_Acceptor_Count	1
11993702	Molecular_Weight	1117.3
6382	Molecular_Weight	209.82
10012220	Structure_Complexity	280
12724530	Defined_Atom_Stereo_Count	0
501728	Undefined_Bond_Stereo_Count	0
55653	Rotatable_Bond_Count	0
154515685	Defined_Atom_Stereo_Count	0
76302	Total_Formal_Charge	0
6433554	Undefined_Bond_Stereo_Count	0
2737701	Defined_Bond_Stereo_Count	0
10217	Hydrogen_Bond_Acceptor_Count	5
11908451	TPSA	190
53954226	Mono_Isotopic_Weight	169.063997236
59154995	Structure_Complexity	107
84872	Undefined_Bond_Stereo_Count	0
227430	Rotatable_Bond_Count	6
221145	TPSA	26.3
93205	Hydrogen_Bond_Acceptor_Count	8
98047377	Undefined_Atom_Stereo_Count	0
3507056	Hydrogen_Bond_Acceptor_Count	5
50516	Non-hydrogen_Atom_Count	35
24261	Defined_Atom_Stereo_Count	0
5311221	Structure_Complexity	526
5486209	Isotope_Atom_Count	0
68321730	Structure_Complexity	657
90957031	Covalent_Unit_Count	1
91276	Structure_Complexity	319
70763	Defined_Bond_Stereo_Count	0
33254	Defined_Bond_Stereo_Count	0
6713451	XLogP3-AA	0.8
4584	Non-hydrogen_Atom_Count	57
5288499	Covalent_Unit_Count	1
123413	Mono_Isotopic_Weight	114.104465066
102059894	Hydrogen_Bond_Donor_Count	3
71116366	Mono_Isotopic_Weight	574.17985270
152109	Undefined_Bond_Stereo_Count	0
129694674	Undefined_Atom_Stereo_Count	0
23663407	TPSA	57.2
7747	Defined_Atom_Stereo_Count	0
10486805	Defined_Atom_Stereo_Count	0
60976	Defined_Atom_Stereo_Count	0
6328152	Undefined_Atom_Stereo_Count	0
25023854	Hydrogen_Bond_Donor_Count	2
3950	Defined_Atom_Stereo_Count	0
12576852	Covalent_Unit_Count	1
54684337	Total_Formal_Charge	0
12713	Undefined_Atom_Stereo_Count	1
57057991	Covalent_Unit_Count	1
119607	Rotatable_Bond_Count	3
123959	Molecular_Weight	950.1
12695798	Isotope_Atom_Count	0
3139	Total_Formal_Charge	0
163578456	Undefined_Bond_Stereo_Count	0
57417187	Structure_Complexity	2050
59021	Rotatable_Bond_Count	6
54758405	Covalent_Unit_Count	1
639102	Structure_Complexity	278
5830	Rotatable_Bond_Count	3
92722	Isotope_Atom_Count	0
24848402	Defined_Bond_Stereo_Count	0
3544	Hydrogen_Bond_Acceptor_Count	5
133667882	Isotope_Atom_Count	0
135402338	Hydrogen_Bond_Acceptor_Count	4
23505018	Structure_Complexity	61.5
46900403	Structure_Complexity	468
18616638	Exact_Mass	99.068413911
12332	Non-hydrogen_Atom_Count	8
8823	Defined_Bond_Stereo_Count	0
20514191	Hydrogen_Bond_Donor_Count	1
58468319	Non-hydrogen_Atom_Count	8
21326868	Hydrogen_Bond_Donor_Count	1
44112	Defined_Bond_Stereo_Count	0
22108	Molecular_Weight	208.00
41774	Mono_Isotopic_Weight	645.24801352
68876	Molecular_Weight	395.9
11542775	Tautomer_Count	1
90452	Isotope_Atom_Count	0
44134949	Defined_Bond_Stereo_Count	0
79178156	TPSA	37.3
9574343	Covalent_Unit_Count	1
32575	Tautomer_Count	1
436520	Tautomer_Count	1
11864	Covalent_Unit_Count	1
5366244	Undefined_Atom_Stereo_Count	2
147246726	Total_Formal_Charge	0
3798	Defined_Atom_Stereo_Count	0
6539020	Structure_Complexity	422
6302381	Hydrogen_Bond_Acceptor_Count	3
89800161	XLogP3-AA	7.5
69873	Covalent_Unit_Count	1
82261	Covalent_Unit_Count	1
135413519	TPSA	126
439583	Hydrogen_Bond_Donor_Count	5
71961	Mono_Isotopic_Weight	493.16311939
86811213	Rotatable_Bond_Count	2
5363388	Hydrogen_Bond_Acceptor_Count	2
46866319	Rotatable_Bond_Count	6
64040	Undefined_Atom_Stereo_Count	0
3034034	Undefined_Bond_Stereo_Count	0
10340798	TPSA	55.1
46224600	Isotope_Atom_Count	0
54595596	Covalent_Unit_Count	1
9541	Defined_Bond_Stereo_Count	0
21201338	Structure_Complexity	206
588352	Structure_Complexity	296
6713428	Defined_Bond_Stereo_Count	0
6418	Rotatable_Bond_Count	1
102201652	Rotatable_Bond_Count	19
15070	Covalent_Unit_Count	1
426756	Molecular_Weight	371.25
146868632	TPSA	29.5
44305779	Molecular_Weight	501.4
34192	Undefined_Atom_Stereo_Count	0
131673845	TPSA	726
132892	Undefined_Atom_Stereo_Count	1
42633	Exact_Mass	467.28830265
67944	Molecular_Weight	214.3
6004	Hydrogen_Bond_Donor_Count	1
58498	Total_Formal_Charge	0
62504	TPSA	49.8
17892701	Undefined_Atom_Stereo_Count	0
2734230	TPSA	8.8
9331	Hydrogen_Bond_Acceptor_Count	4
29773	Tautomer_Count	1
54377545	Molecular_Weight	99.13
13531445	Exact_Mass	101.047678466
145003683	Non-hydrogen_Atom_Count	8
6227	XLogP3	0.4
53667465	XLogP3-AA	2.3
45266540	Hydrogen_Bond_Acceptor_Count	23
167	Undefined_Bond_Stereo_Count	0
406167	Total_Formal_Charge	0
11192129	Total_Formal_Charge	0
13625887	Defined_Atom_Stereo_Count	0
14852477	Hydrogen_Bond_Acceptor_Count	2
23681451	Total_Formal_Charge	0
539001	Covalent_Unit_Count	1
129606985	Structure_Complexity	756
175533	Total_Formal_Charge	0
17806	XLogP3-AA	3.5
14337609	XLogP3-AA	0.9
449593	Covalent_Unit_Count	1
2997	Molecular_Weight	270.71
2740171	Exact_Mass	274.0985242
164330	Covalent_Unit_Count	9
16051933	Hydrogen_Bond_Acceptor_Count	15
9539	Hydrogen_Bond_Donor_Count	6
9865514	Non-hydrogen_Atom_Count	30
95864	Mono_Isotopic_Weight	178.00885060
45357148	Total_Formal_Charge	0
44338785	Structure_Complexity	897
975767	XLogP3-AA	3
13176	Rotatable_Bond_Count	1
58869796	Defined_Bond_Stereo_Count	0
603711	Exact_Mass	214.07759887
1362	Isotope_Atom_Count	0
23676755	Tautomer_Count	1
61184	Defined_Bond_Stereo_Count	0
16071605	XLogP3-AA	4.3
699414	XLogP3	1.8
134688993	Isotope_Atom_Count	0
90019869	Hydrogen_Bond_Acceptor_Count	3
122235961	Structure_Complexity	65.1
10055080	Hydrogen_Bond_Donor_Count	7
7791	Undefined_Atom_Stereo_Count	2
108218	Exact_Mass	220.05177804
1514290	Defined_Atom_Stereo_Count	0
32698	Undefined_Bond_Stereo_Count	0
43935	Hydrogen_Bond_Acceptor_Count	3
73334	Isotope_Atom_Count	0
87560	Covalent_Unit_Count	1
69052440	Defined_Atom_Stereo_Count	10
5359	Undefined_Atom_Stereo_Count	1
45116616	Molecular_Weight	101.15
65761	Non-hydrogen_Atom_Count	14
21590560	TPSA	0
12947	Undefined_Bond_Stereo_Count	0
26715	Non-hydrogen_Atom_Count	14
7395	Structure_Complexity	209
2468	Defined_Bond_Stereo_Count	0
441242	Isotope_Atom_Count	0
23679441	Undefined_Atom_Stereo_Count	0
3572	Molecular_Weight	308.5
90470403	Defined_Bond_Stereo_Count	0
91414	Undefined_Atom_Stereo_Count	0
88239551	Hydrogen_Bond_Acceptor_Count	2
37888405	Isotope_Atom_Count	0
444305	Total_Formal_Charge	0
22222152	Exact_Mass	98.036779430
135392883	Covalent_Unit_Count	1
58137106	XLogP3-AA	1.3
5231234	Covalent_Unit_Count	1
688093	TPSA	18.5
49862626	TPSA	57.8
164806	Total_Formal_Charge	0
20003	Total_Formal_Charge	1
23269081	Exact_Mass	108.093900383
129652979	Defined_Atom_Stereo_Count	0
151726	Mono_Isotopic_Weight	125.047678466
15411	Non-hydrogen_Atom_Count	8
135399235	Non-hydrogen_Atom_Count	20
20952	TPSA	45.8
54712717	Exact_Mass	310.12050905
181287	Total_Formal_Charge	0
7303	XLogP3-AA	0.3
115011049	TPSA	26.3
23283001	Mono_Isotopic_Weight	108.093900383
87468088	Hydrogen_Bond_Acceptor_Count	1
73947328	Defined_Bond_Stereo_Count	0
150736	Mono_Isotopic_Weight	204.06338810
68713	Tautomer_Count	1
53708408	TPSA	26.3
71464121	Undefined_Bond_Stereo_Count	0
99597	Defined_Bond_Stereo_Count	0
4996851	XLogP3-AA	0.7
9567537	Covalent_Unit_Count	1
559072	Hydrogen_Bond_Donor_Count	0
10614	Tautomer_Count	1
145714222	Covalent_Unit_Count	1
5561	Molecular_Weight	204.5
21677759	XLogP3	0.8
166450901	Defined_Atom_Stereo_Count	4
10282517	Exact_Mass	615.18616351
9595290	Undefined_Bond_Stereo_Count	0
62453	Rotatable_Bond_Count	1
15942713	Undefined_Atom_Stereo_Count	0
49865918	Undefined_Bond_Stereo_Count	0
159220	Mono_Isotopic_Weight	229.1233420
23681223	Isotope_Atom_Count	0
13152	Rotatable_Bond_Count	2
5423	Molecular_Weight	266.38
17799404	Defined_Bond_Stereo_Count	0
21894213	Defined_Bond_Stereo_Count	0
71305034	Undefined_Atom_Stereo_Count	0
10534621	Hydrogen_Bond_Acceptor_Count	0
54714	Undefined_Atom_Stereo_Count	0
16052038	Tautomer_Count	2
37249	Structure_Complexity	258
9020	Mono_Isotopic_Weight	161.99049717
102201652	Isotope_Atom_Count	0
54575456	Covalent_Unit_Count	1
18477728	TPSA	205
3032818	Covalent_Unit_Count	1
54539471	Non-hydrogen_Atom_Count	7
18923110	Structure_Complexity	61.1
91413470	Non-hydrogen_Atom_Count	7
51030529	Defined_Bond_Stereo_Count	0
460603	Total_Formal_Charge	1
90955914	Defined_Bond_Stereo_Count	0
8823	Defined_Atom_Stereo_Count	0
10964456	Structure_Complexity	103
6096207	Covalent_Unit_Count	1
556872	Total_Formal_Charge	0
72276	Total_Formal_Charge	0
240817	Hydrogen_Bond_Acceptor_Count	1
20035332	Structure_Complexity	64.3
643792	Rotatable_Bond_Count	1
13152	Isotope_Atom_Count	0
44144456	Isotope_Atom_Count	0
17355	TPSA	17.1
447480	Rotatable_Bond_Count	4
11569	Undefined_Bond_Stereo_Count	0
70962	Structure_Complexity	149
4198	Hydrogen_Bond_Acceptor_Count	4
21493122	Hydrogen_Bond_Donor_Count	1
13721	Total_Formal_Charge	0
11532248	Undefined_Bond_Stereo_Count	0
53699081	Covalent_Unit_Count	1
85339	Hydrogen_Bond_Donor_Count	1
108850	Total_Formal_Charge	0
612684	Hydrogen_Bond_Donor_Count	0
6481	Non-hydrogen_Atom_Count	18
57081543	Defined_Atom_Stereo_Count	0
482	Undefined_Bond_Stereo_Count	0
135542606	Defined_Atom_Stereo_Count	0
39485	Defined_Atom_Stereo_Count	0
10219384	Molecular_Weight	96.979
49290	XLogP3	2.1
20259182	Defined_Atom_Stereo_Count	0
77888	Isotope_Atom_Count	0
5361043	TPSA	76
31639	Undefined_Bond_Stereo_Count	0
92002571	Undefined_Atom_Stereo_Count	3
5325830	Isotope_Atom_Count	0
12208403	Rotatable_Bond_Count	0
9847219	Structure_Complexity	727
55290070	Non-hydrogen_Atom_Count	7
66070	Tautomer_Count	3
9874838	Defined_Bond_Stereo_Count	0
25552	Undefined_Bond_Stereo_Count	0
23616570	Molecular_Weight	359.9
909750	Rotatable_Bond_Count	4
5476	Undefined_Atom_Stereo_Count	1
136585	XLogP3-AA	2.4
673681	TPSA	81.4
126975912	Undefined_Bond_Stereo_Count	0
3060	XLogP3	3.4
15542	Non-hydrogen_Atom_Count	13
15600	Covalent_Unit_Count	1
38031	Hydrogen_Bond_Donor_Count	0
5187	Hydrogen_Bond_Acceptor_Count	7
9884833	XLogP3-AA	3.2
520913	Non-hydrogen_Atom_Count	7
5748846	Hydrogen_Bond_Donor_Count	5
6094	Mono_Isotopic_Weight	153.078978594
5702049	Undefined_Bond_Stereo_Count	0
114739	Total_Formal_Charge	0
51030984	XLogP3-AA	2
18467387	Hydrogen_Bond_Acceptor_Count	2
18950	Isotope_Atom_Count	0
86098790	Undefined_Bond_Stereo_Count	0
10986200	Defined_Atom_Stereo_Count	0
21972427	Undefined_Atom_Stereo_Count	0
5372194	Covalent_Unit_Count	1
60165658	Isotope_Atom_Count	0
77674	Defined_Atom_Stereo_Count	0
555285	Rotatable_Bond_Count	2
21635253	Isotope_Atom_Count	0
126977538	Covalent_Unit_Count	1
5281576	TPSA	83.8
9469	Undefined_Bond_Stereo_Count	0
40474	Molecular_Weight	395.3
5461016	Structure_Complexity	94.2
23268532	Defined_Bond_Stereo_Count	0
69341269	Exact_Mass	112.063662883
14954	TPSA	55.4
126969105	TPSA	80.7
1443	Molecular_Weight	318.4
44565799	TPSA	109
6553	Molecular_Weight	201.89
28876	Defined_Atom_Stereo_Count	0
134160331	TPSA	21.7
5361	Hydrogen_Bond_Donor_Count	12
61055	Total_Formal_Charge	0
767951	XLogP3-AA	2.3
138059742	Rotatable_Bond_Count	3
72560	Defined_Atom_Stereo_Count	0
138199	Defined_Atom_Stereo_Count	0
134694856	Total_Formal_Charge	0
73977860	Non-hydrogen_Atom_Count	8
5641	Defined_Bond_Stereo_Count	0
89534431	Undefined_Bond_Stereo_Count	0
97824	Molecular_Weight	159.23
201749	Mono_Isotopic_Weight	266.16304257
10909908	Exact_Mass	165.04596439
71462628	Rotatable_Bond_Count	9
7280	Non-hydrogen_Atom_Count	6
53323371	Undefined_Bond_Stereo_Count	0
40473182	Hydrogen_Bond_Acceptor_Count	5
59310309	Undefined_Atom_Stereo_Count	0
44455012	Hydrogen_Bond_Acceptor_Count	8
54216748	Covalent_Unit_Count	1
80507	Hydrogen_Bond_Acceptor_Count	3
23180086	Undefined_Bond_Stereo_Count	0
19428628	Molecular_Weight	110.11
59330719	Non-hydrogen_Atom_Count	8
20145490	Exact_Mass	110.073164938
2978	Hydrogen_Bond_Donor_Count	1
21579142	Hydrogen_Bond_Donor_Count	4
204	Mono_Isotopic_Weight	158.04399007
605461	Total_Formal_Charge	0
441979	Mono_Isotopic_Weight	348.14739250
10202492	Undefined_Bond_Stereo_Count	0
15092989	XLogP3-AA	0.4
25067411	Hydrogen_Bond_Acceptor_Count	9
3080719	Undefined_Bond_Stereo_Count	0
73200935	TPSA	0
21989159	Rotatable_Bond_Count	20
447249	Non-hydrogen_Atom_Count	21
103451510	Undefined_Atom_Stereo_Count	1
66602	Defined_Atom_Stereo_Count	0
9547700	Hydrogen_Bond_Acceptor_Count	1
400185	Hydrogen_Bond_Donor_Count	2
16132265	Rotatable_Bond_Count	148
10701	Non-hydrogen_Atom_Count	8
58014	Undefined_Atom_Stereo_Count	0
656597	Total_Formal_Charge	0
21184953	Molecular_Weight	97.12
61181	Tautomer_Count	1
22463839	Exact_Mass	107.073499291
85979179	Hydrogen_Bond_Acceptor_Count	2
79876409	TPSA	26
29878	Mono_Isotopic_Weight	183.03539970
65067	Defined_Bond_Stereo_Count	0
54325138	Total_Formal_Charge	0
6533629	Molecular_Weight	383.4
9113	XLogP3	12.9
85597	Isotope_Atom_Count	0
62097	Structure_Complexity	192
66117	Structure_Complexity	142
3296738	Defined_Bond_Stereo_Count	0
242364	Undefined_Bond_Stereo_Count	0
11755113	Defined_Bond_Stereo_Count	0
36588	Covalent_Unit_Count	1
40926	Total_Formal_Charge	0
261	TPSA	17.1
5506	Total_Formal_Charge	0
13334303	Total_Formal_Charge	0
152917	Molecular_Weight	111.10
53408681	Undefined_Atom_Stereo_Count	0
193270	Defined_Atom_Stereo_Count	1
13418379	Mono_Isotopic_Weight	112.100048391
6624	Non-hydrogen_Atom_Count	17
3081078	TPSA	23.6
8192	Molecular_Weight	204.78
636367	Isotope_Atom_Count	0
462382	Structure_Complexity	644
68254185	Total_Formal_Charge	0
2576	Structure_Complexity	281
14453684	Exact_Mass	100.088815002
86132	Mono_Isotopic_Weight	291.1138399
5408	Molecular_Weight	288.4
5284341	TPSA	26
410214	Structure_Complexity	443
76218	Isotope_Atom_Count	0
11182575	TPSA	9.2
76579279	Defined_Bond_Stereo_Count	0
122173994	Molecular_Weight	287.4
23476	Isotope_Atom_Count	0
24779724	Defined_Bond_Stereo_Count	0
2828708	Molecular_Weight	251.32
91801202	Hydrogen_Bond_Acceptor_Count	5
5093953	Defined_Bond_Stereo_Count	0
53689772	Undefined_Atom_Stereo_Count	0
144524	Total_Formal_Charge	0
5456	Non-hydrogen_Atom_Count	37
2495	Hydrogen_Bond_Acceptor_Count	7
76337	Tautomer_Count	1
447569	Undefined_Atom_Stereo_Count	0
40466954	Rotatable_Bond_Count	5
59172060	Hydrogen_Bond_Acceptor_Count	2
9929785	TPSA	78.4
10578	Molecular_Weight	518.5
42153	XLogP3	2.7
6325382	Covalent_Unit_Count	1
60196360	Undefined_Atom_Stereo_Count	1
93702	Exact_Mass	728.0672755
67266053	Molecular_Weight	99.17
580328	Mono_Isotopic_Weight	481.98464049
39650	Isotope_Atom_Count	0
5318599	Tautomer_Count	1
3744660	Hydrogen_Bond_Donor_Count	8
71970	Covalent_Unit_Count	1
22341299	Total_Formal_Charge	0
176453	Structure_Complexity	219
60977	Defined_Bond_Stereo_Count	0
95209	Molecular_Weight	181.26
1449	Defined_Atom_Stereo_Count	0
3762	TPSA	72.7
136316	Exact_Mass	110.109550447
135406868	Exact_Mass	130.01268994
6604889	Hydrogen_Bond_Donor_Count	1
55290897	Mono_Isotopic_Weight	93.021463719
20626699	Structure_Complexity	44.5
2435	Defined_Bond_Stereo_Count	0
56955070	Hydrogen_Bond_Donor_Count	1
16722522	Total_Formal_Charge	0
20836217	Hydrogen_Bond_Donor_Count	0
6918303	Defined_Atom_Stereo_Count	2
10130360	Undefined_Atom_Stereo_Count	0
5154	Molecular_Weight	332.3
12302648	Total_Formal_Charge	0
62819	Total_Formal_Charge	0
83907	Undefined_Atom_Stereo_Count	0
94317	Covalent_Unit_Count	1
73662	Hydrogen_Bond_Acceptor_Count	9
374	Defined_Atom_Stereo_Count	0
98790	Defined_Bond_Stereo_Count	0
11196237	Mono_Isotopic_Weight	260.08960285
440728	Defined_Bond_Stereo_Count	0
6918540	Molecular_Weight	389.6
1877	Non-hydrogen_Atom_Count	24
9548801	TPSA	190
126547509	TPSA	41.8
124328800	Isotope_Atom_Count	0
71461541	Hydrogen_Bond_Acceptor_Count	6
12298	Hydrogen_Bond_Acceptor_Count	1
43424	Exact_Mass	409.1894101
56949517	Structure_Complexity	643
216466	Defined_Atom_Stereo_Count	0
92043261	Mono_Isotopic_Weight	215.97756350
13568	Defined_Bond_Stereo_Count	0
10126799	Total_Formal_Charge	0
11483754	Exact_Mass	311.188529040
18206	TPSA	12.5
60613	Isotope_Atom_Count	0
129849349	Molecular_Weight	205.28
439503	Covalent_Unit_Count	1
24917008	Defined_Atom_Stereo_Count	4
15530	Tautomer_Count	1
8670	Hydrogen_Bond_Donor_Count	1
25256832	TPSA	100
98655	Total_Formal_Charge	0
23666342	Covalent_Unit_Count	2
12430063	Undefined_Bond_Stereo_Count	0
1044	Defined_Bond_Stereo_Count	0
2079	Defined_Bond_Stereo_Count	0
14343599	Undefined_Atom_Stereo_Count	0
5956	Structure_Complexity	1920
15485370	Isotope_Atom_Count	0
87692081	Covalent_Unit_Count	1
15480319	Exact_Mass	170.95872
117326	Isotope_Atom_Count	0
90479783	Undefined_Atom_Stereo_Count	0
641496	Exact_Mass	101.047678466
9804219	Non-hydrogen_Atom_Count	32
14205677	Defined_Bond_Stereo_Count	0
2734238	Undefined_Bond_Stereo_Count	0
17304	XLogP3-AA	2
118719297	Hydrogen_Bond_Donor_Count	3
123167244	TPSA	18.5
256737	Non-hydrogen_Atom_Count	21
162944617	Exact_Mass	904.44565070
11016	Mono_Isotopic_Weight	173.07179901
11830	Defined_Bond_Stereo_Count	0
105010	Defined_Atom_Stereo_Count	0
9929430	Covalent_Unit_Count	1
443046	XLogP3	6.1
11170938	Hydrogen_Bond_Donor_Count	0
15438	Undefined_Atom_Stereo_Count	0
543759	Hydrogen_Bond_Acceptor_Count	1
141738	Non-hydrogen_Atom_Count	7
14181	Covalent_Unit_Count	1
93550	Defined_Atom_Stereo_Count	0
456199	Rotatable_Bond_Count	4
5359620	Undefined_Bond_Stereo_Count	0
8477	Defined_Atom_Stereo_Count	0
151115	Isotope_Atom_Count	0
148828281	Undefined_Bond_Stereo_Count	0
17882607	Hydrogen_Bond_Donor_Count	0
125347	Hydrogen_Bond_Acceptor_Count	9
157706	Covalent_Unit_Count	1
81476	Total_Formal_Charge	0
12682028	Hydrogen_Bond_Donor_Count	2
61184	Molecular_Weight	130.18
8356	TPSA	152
141350568	Rotatable_Bond_Count	1
60196261	Undefined_Bond_Stereo_Count	0
115260	Molecular_Weight	321.35
229	TPSA	90.2
60196427	Hydrogen_Bond_Acceptor_Count	4
9801597	Covalent_Unit_Count	1
58907754	Defined_Atom_Stereo_Count	6
6733	Molecular_Weight	230.26
95866	Molecular_Weight	90.08
1946	Rotatable_Bond_Count	13
89378	Covalent_Unit_Count	1
86956	Covalent_Unit_Count	1
10008	Total_Formal_Charge	0
4659568	Covalent_Unit_Count	1
140945	Covalent_Unit_Count	1
74572	XLogP3	3.2
918412	Exact_Mass	273.03644
30468	Molecular_Weight	218.08
11492	Exact_Mass	137.084063974
89350	Defined_Atom_Stereo_Count	0
11000531	Hydrogen_Bond_Donor_Count	0
59296090	Defined_Atom_Stereo_Count	1
2467	Defined_Bond_Stereo_Count	0
20232381	Non-hydrogen_Atom_Count	6
10527347	Molecular_Weight	446.4
2749	Molecular_Weight	207.27
123920652	Molecular_Weight	110.20
44468216	Tautomer_Count	3
140313277	Rotatable_Bond_Count	2
15789248	Isotope_Atom_Count	0
12290023	Mono_Isotopic_Weight	116.083729621
81764	Rotatable_Bond_Count	2
4425	Total_Formal_Charge	0
74616	Covalent_Unit_Count	1
71555	Rotatable_Bond_Count	4
46883936	Total_Formal_Charge	0
19860177	Non-hydrogen_Atom_Count	7
5357155	Isotope_Atom_Count	0
70912	Exact_Mass	173.10519334
11511	Isotope_Atom_Count	0
10095612	Non-hydrogen_Atom_Count	29
54500069	Hydrogen_Bond_Donor_Count	2
123979022	Rotatable_Bond_Count	0
7661	Defined_Bond_Stereo_Count	0
31824	Non-hydrogen_Atom_Count	19
14302278	Undefined_Bond_Stereo_Count	0
6992788	Undefined_Bond_Stereo_Count	0
53983207	Exact_Mass	95.073499291
5329138	Rotatable_Bond_Count	4
53819405	Hydrogen_Bond_Donor_Count	1
7220	Mono_Isotopic_Weight	119.048347172
2712	Non-hydrogen_Atom_Count	21
42	Exact_Mass	214.04773803
24354	Isotope_Atom_Count	0
378309	XLogP3-AA	2.3
9614919	Rotatable_Bond_Count	3
9737	Defined_Bond_Stereo_Count	0
19422141	Covalent_Unit_Count	1
6451155	Defined_Atom_Stereo_Count	0
15569631	Undefined_Atom_Stereo_Count	0
219	Defined_Atom_Stereo_Count	0
9964075	Molecular_Weight	109.13
96092	Hydrogen_Bond_Donor_Count	1
53708	Hydrogen_Bond_Acceptor_Count	3
237766	Hydrogen_Bond_Donor_Count	0
561657	Defined_Atom_Stereo_Count	0
6857686	Undefined_Bond_Stereo_Count	0
88489334	Defined_Bond_Stereo_Count	0
94020	Total_Formal_Charge	0
134715568	Exact_Mass	570.34512703
20695916	Isotope_Atom_Count	0
10091748	Structure_Complexity	586
46173365	XLogP3	0.3
137699570	Hydrogen_Bond_Donor_Count	6
14379827	Isotope_Atom_Count	0
87927	Undefined_Atom_Stereo_Count	0
6525	Covalent_Unit_Count	1
8705	Hydrogen_Bond_Donor_Count	1
101348253	Exact_Mass	192.126263138
5281035	Undefined_Bond_Stereo_Count	0
123239743	Rotatable_Bond_Count	1
8779	Covalent_Unit_Count	6
718449	XLogP3-AA	1.8
3031	Hydrogen_Bond_Acceptor_Count	1
94418	Mono_Isotopic_Weight	429.20121898
300166	Hydrogen_Bond_Donor_Count	0
129316177	Molecular_Weight	1229.3
10034603	Tautomer_Count	1
642975	Molecular_Weight	126.20
5743	Hydrogen_Bond_Acceptor_Count	6
12442896	Tautomer_Count	1
3032396	Isotope_Atom_Count	0
151255	Hydrogen_Bond_Acceptor_Count	3
184495	Molecular_Weight	295.3
2239	Hydrogen_Bond_Acceptor_Count	7
18335911	TPSA	44
14283	Covalent_Unit_Count	1
53388942	Molecular_Weight	471.5
5484286	Undefined_Atom_Stereo_Count	0
154269	Covalent_Unit_Count	1
136793	Isotope_Atom_Count	0
85047	Defined_Atom_Stereo_Count	0
33539	TPSA	96.2
10173277	Total_Formal_Charge	0
69135	Isotope_Atom_Count	0
27383	Undefined_Bond_Stereo_Count	0
6432434	Mono_Isotopic_Weight	332.23514488
131999	Structure_Complexity	177
53976445	TPSA	58.2
122672156	Defined_Atom_Stereo_Count	0
94424	Defined_Atom_Stereo_Count	0
90471539	Non-hydrogen_Atom_Count	27
9958278	XLogP3-AA	5.4
13083763	TPSA	17.1
20665999	Isotope_Atom_Count	0
9568614	Mono_Isotopic_Weight	345.11471265
7146283	Hydrogen_Bond_Acceptor_Count	6
10286159	Hydrogen_Bond_Acceptor_Count	3
162639102	Mono_Isotopic_Weight	411.00600498
439517	Non-hydrogen_Atom_Count	19
9806229	Exact_Mass	506.1997154
150	Hydrogen_Bond_Acceptor_Count	8
26130	Tautomer_Count	1
133021	Undefined_Bond_Stereo_Count	0
78014	Tautomer_Count	1
11116296	TPSA	18.5
70267665	Exact_Mass	98.048012819
69817	Rotatable_Bond_Count	4
12448	Exact_Mass	301.157897619
70637	Total_Formal_Charge	0
5803	TPSA	66.8
2096	Undefined_Atom_Stereo_Count	6
3033817	Exact_Mass	420.13550766
6921821	Rotatable_Bond_Count	3
118990144	Exact_Mass	97.052763847
15053	Isotope_Atom_Count	0
12548640	Isotope_Atom_Count	0
6172	Undefined_Bond_Stereo_Count	0
10238982	Mono_Isotopic_Weight	486.2249477
14691612	Total_Formal_Charge	0
9831783	Defined_Atom_Stereo_Count	2
8359	Molecular_Weight	163.13
2763078	Rotatable_Bond_Count	1
56840998	Non-hydrogen_Atom_Count	28
39860	Mono_Isotopic_Weight	372.26644501
12634652	Hydrogen_Bond_Donor_Count	0
91248258	TPSA	47.3
603227	Defined_Bond_Stereo_Count	0
140990	Exact_Mass	94.078250319
249502	Defined_Atom_Stereo_Count	0
123392765	Total_Formal_Charge	0
3155	Rotatable_Bond_Count	3
545317	Mono_Isotopic_Weight	226.12050905
19935381	Defined_Bond_Stereo_Count	0
443046	Non-hydrogen_Atom_Count	31
18048	Structure_Complexity	151
123134270	Defined_Atom_Stereo_Count	12
536086	Rotatable_Bond_Count	1
129871020	Molecular_Weight	113.11
96386	Mono_Isotopic_Weight	214.229665576
539244	Exact_Mass	478.20029610
11429	Undefined_Bond_Stereo_Count	0
4432690	Defined_Bond_Stereo_Count	0
12842598	Hydrogen_Bond_Acceptor_Count	2
79004	Undefined_Atom_Stereo_Count	1
53319416	Exact_Mass	484.0956626
7110	Rotatable_Bond_Count	1
4359436	Mono_Isotopic_Weight	154.9899821
27893	Undefined_Bond_Stereo_Count	0
58645437	Isotope_Atom_Count	0
8002	Mono_Isotopic_Weight	135.98876
70991	Structure_Complexity	179
129871020	Defined_Atom_Stereo_Count	0
528411	Undefined_Atom_Stereo_Count	0
59834563	Defined_Atom_Stereo_Count	1
5479141	Hydrogen_Bond_Acceptor_Count	19
17365	Tautomer_Count	1
20190	Tautomer_Count	1
4183883	Hydrogen_Bond_Donor_Count	0
11101484	Total_Formal_Charge	0
17392	Rotatable_Bond_Count	7
6232	Defined_Atom_Stereo_Count	0
68169200	Structure_Complexity	122
80297114	Rotatable_Bond_Count	1
16932	Defined_Atom_Stereo_Count	0
9690109	Rotatable_Bond_Count	5
16694	Undefined_Atom_Stereo_Count	0
15788366	XLogP3-AA	4.5
692159	Undefined_Bond_Stereo_Count	0
87998	Covalent_Unit_Count	1
95876	XLogP3-AA	4.9
68103	XLogP3-AA	1.9
19159	Tautomer_Count	1
5358902	Molecular_Weight	144.12
135410917	Undefined_Atom_Stereo_Count	0
24848920	Exact_Mass	303.19467705
23549397	Exact_Mass	114.104465066
65677	Undefined_Atom_Stereo_Count	0
68392349	Structure_Complexity	125
23003869	Hydrogen_Bond_Donor_Count	0
26350	Hydrogen_Bond_Acceptor_Count	3
16421	Defined_Bond_Stereo_Count	0
60196366	Defined_Bond_Stereo_Count	0
13773524	Mono_Isotopic_Weight	371.14812078
5371002	Isotope_Atom_Count	0
72064	Total_Formal_Charge	0
69627	Undefined_Bond_Stereo_Count	0
43320	TPSA	29.1
2209	Defined_Bond_Stereo_Count	0
12470257	Mono_Isotopic_Weight	98.036779430
21893333	Rotatable_Bond_Count	0
253	TPSA	104
11293303	Structure_Complexity	607
131738952	Defined_Atom_Stereo_Count	0
89669330	Undefined_Bond_Stereo_Count	0
21973740	Undefined_Bond_Stereo_Count	0
6451477	Non-hydrogen_Atom_Count	7
13349550	Undefined_Bond_Stereo_Count	0
4538	Total_Formal_Charge	0
14976610	Undefined_Bond_Stereo_Count	0
58664	Rotatable_Bond_Count	3
6427044	Undefined_Bond_Stereo_Count	0
27655	Defined_Bond_Stereo_Count	0
59110799	Non-hydrogen_Atom_Count	24
10654192	Rotatable_Bond_Count	1
17208	Covalent_Unit_Count	1
68981417	Hydrogen_Bond_Donor_Count	1
349713	Isotope_Atom_Count	0
138174	Non-hydrogen_Atom_Count	8
37183	Exact_Mass	46.016712692
9053	Exact_Mass	376.20498756
71309905	Hydrogen_Bond_Donor_Count	5
50367	Tautomer_Count	1
86751	Undefined_Bond_Stereo_Count	0
12711598	Hydrogen_Bond_Acceptor_Count	2
121922	Hydrogen_Bond_Donor_Count	2
445561	Structure_Complexity	1140
3674	Undefined_Bond_Stereo_Count	1
24917008	Defined_Bond_Stereo_Count	0
163872485	Structure_Complexity	2330
21792546	Molecular_Weight	246.21
153772784	Non-hydrogen_Atom_Count	8
22081030	Total_Formal_Charge	0
11083864	Undefined_Atom_Stereo_Count	0
135900090	Hydrogen_Bond_Acceptor_Count	15
11078406	Mono_Isotopic_Weight	341.050483
9737	TPSA	20.2
1511	Rotatable_Bond_Count	3
68410	Non-hydrogen_Atom_Count	6
96389	Total_Formal_Charge	0
17730	Undefined_Bond_Stereo_Count	0
101450	Rotatable_Bond_Count	2
6442	Hydrogen_Bond_Acceptor_Count	3
948323	Defined_Bond_Stereo_Count	0
8854	Tautomer_Count	1
3972	Total_Formal_Charge	0
54493752	Molecular_Weight	93.13
15205080	Undefined_Atom_Stereo_Count	1
688015	TPSA	69.7
11619076	Undefined_Atom_Stereo_Count	0
124744579	Defined_Atom_Stereo_Count	19
13035	Defined_Atom_Stereo_Count	0
3068143	Structure_Complexity	679
68546	TPSA	107
5357002	Defined_Atom_Stereo_Count	0
320272	XLogP3-AA	1.6
74888	Covalent_Unit_Count	1
13019073	Undefined_Bond_Stereo_Count	0
537148	TPSA	12.5
15661697	TPSA	76.1
182	Non-hydrogen_Atom_Count	78
11161534	Mono_Isotopic_Weight	269.141578849
16667700	Isotope_Atom_Count	0
34864	Molecular_Weight	242.32
4369445	Hydrogen_Bond_Acceptor_Count	12
95634	Non-hydrogen_Atom_Count	14
73346531	Covalent_Unit_Count	1
11740218	Hydrogen_Bond_Acceptor_Count	4
11153672	Covalent_Unit_Count	1
441476	Molecular_Weight	194.14
15576	Mono_Isotopic_Weight	571.7591
69161653	XLogP3-AA	1.1
2306	Non-hydrogen_Atom_Count	12
52945260	Undefined_Bond_Stereo_Count	0
40846	Molecular_Weight	492.5
54757474	Undefined_Bond_Stereo_Count	0
12476101	Hydrogen_Bond_Acceptor_Count	0
118318030	Structure_Complexity	756
16008685	Total_Formal_Charge	0
3566770	TPSA	36.3
18992283	Total_Formal_Charge	0
10436	XLogP3-AA	1.6
51346808	Structure_Complexity	638
65983891	Molecular_Weight	98.10
53825857	Structure_Complexity	68.5
21698963	Covalent_Unit_Count	1
92821	Hydrogen_Bond_Acceptor_Count	3
16759173	Isotope_Atom_Count	0
2321	Structure_Complexity	805
55652	Isotope_Atom_Count	0
133640201	Defined_Bond_Stereo_Count	1
77245	XLogP3-AA	5.2
12271346	Hydrogen_Bond_Acceptor_Count	1
16847	Structure_Complexity	496
4775	Structure_Complexity	137
43139	Undefined_Bond_Stereo_Count	0
447477	Non-hydrogen_Atom_Count	25
5068681	Total_Formal_Charge	0
68901	XLogP3-AA	0.6
59058905	Hydrogen_Bond_Acceptor_Count	4
22833295	Undefined_Bond_Stereo_Count	0
41124	Exact_Mass	140.120115130
1095	Mono_Isotopic_Weight	254.01915430
10793	Defined_Bond_Stereo_Count	0
24827	Rotatable_Bond_Count	4
65388	Hydrogen_Bond_Acceptor_Count	5
3795	XLogP3-AA	3.7
9984441	Defined_Atom_Stereo_Count	3
53316416	Isotope_Atom_Count	0
5188	Non-hydrogen_Atom_Count	29
906	Mono_Isotopic_Weight	309.10598118
6918558	Defined_Bond_Stereo_Count	0
154058	Defined_Atom_Stereo_Count	2
76745	Covalent_Unit_Count	3
12452021	Mono_Isotopic_Weight	113.084063974
22084396	Defined_Bond_Stereo_Count	0
12052005	Isotope_Atom_Count	0
135413540	Undefined_Bond_Stereo_Count	0
67730	Rotatable_Bond_Count	4
4573	Tautomer_Count	1
4066245	Structure_Complexity	380
1519404	Defined_Atom_Stereo_Count	0
71577	TPSA	131
89884995	Total_Formal_Charge	0
3037206	Defined_Atom_Stereo_Count	12
19757680	Hydrogen_Bond_Donor_Count	2
53497429	Non-hydrogen_Atom_Count	40
45380893	Non-hydrogen_Atom_Count	35
18999023	Rotatable_Bond_Count	1
101001097	Hydrogen_Bond_Acceptor_Count	4
56658436	Non-hydrogen_Atom_Count	25
556722	Non-hydrogen_Atom_Count	8
5357580	Hydrogen_Bond_Acceptor_Count	4
2472	Hydrogen_Bond_Donor_Count	1
571973	Molecular_Weight	107.11
12573	Covalent_Unit_Count	1
11251988	Exact_Mass	115.063328530
5452	Structure_Complexity	432
20216100	Rotatable_Bond_Count	0
443874	Tautomer_Count	3
22420	Mono_Isotopic_Weight	278.0353848
15811016	Structure_Complexity	53.3
25202592	Molecular_Weight	129.16
102752	TPSA	17.1
56843898	Molecular_Weight	418.3
10928	Non-hydrogen_Atom_Count	6
115260	Rotatable_Bond_Count	10
79833	Isotope_Atom_Count	0
10255241	Covalent_Unit_Count	1
146480	Tautomer_Count	5
866400	Hydrogen_Bond_Acceptor_Count	5
6946681	Covalent_Unit_Count	1
2099	Structure_Complexity	442
52940827	Hydrogen_Bond_Acceptor_Count	5
53909396	Mono_Isotopic_Weight	88.052429494
520362	XLogP3-AA	2.6
13083763	Rotatable_Bond_Count	1
66553195	Molecular_Weight	386.6
6375	Defined_Bond_Stereo_Count	0
42334	Non-hydrogen_Atom_Count	20
69049742	Isotope_Atom_Count	0
29935	Rotatable_Bond_Count	0
54765	Hydrogen_Bond_Acceptor_Count	6
123911014	Molecular_Weight	90.12
54370143	Mono_Isotopic_Weight	225.126597491
6970	Covalent_Unit_Count	1
155008	Tautomer_Count	809
14698	Hydrogen_Bond_Donor_Count	2
139444	Total_Formal_Charge	0
155354	Defined_Bond_Stereo_Count	0
136891	Hydrogen_Bond_Acceptor_Count	1
68837	Exact_Mass	513.16349606
53486260	Rotatable_Bond_Count	8
525128	Structure_Complexity	496
542317	Undefined_Atom_Stereo_Count	0
14956	Tautomer_Count	2
67258976	Undefined_Atom_Stereo_Count	0
12184311	Isotope_Atom_Count	0
123786025	Total_Formal_Charge	0
38759	Hydrogen_Bond_Acceptor_Count	2
42552739	Undefined_Bond_Stereo_Count	0
78607	XLogP3-AA	1.2
81129	XLogP3	2.4
5232618	Mono_Isotopic_Weight	295.217423870
24978601	Molecular_Weight	624.6
102069	Undefined_Atom_Stereo_Count	0
10772948	Molecular_Weight	112.13
81668	Hydrogen_Bond_Donor_Count	1
11636	Non-hydrogen_Atom_Count	27
54565105	Molecular_Weight	96.17
53464	Non-hydrogen_Atom_Count	19
129320410	Undefined_Atom_Stereo_Count	1
38884	Covalent_Unit_Count	1
53466	Rotatable_Bond_Count	4
7853	Undefined_Bond_Stereo_Count	0
58182899	Undefined_Atom_Stereo_Count	0
151246	XLogP3-AA	2.4
139202519	Molecular_Weight	426.3
560126	TPSA	21.2
5702096	XLogP3	3.3
54375073	Hydrogen_Bond_Acceptor_Count	1
53643041	Non-hydrogen_Atom_Count	8
90429111	Total_Formal_Charge	0
126494519	Mono_Isotopic_Weight	365.13869891
14151226	Total_Formal_Charge	0
60201425	Isotope_Atom_Count	0
101888374	Exact_Mass	352.0502366
22318	Exact_Mass	389.921313
55298701	Hydrogen_Bond_Acceptor_Count	2
9517	Isotope_Atom_Count	0
219231	Molecular_Weight	331.3
23279316	Undefined_Bond_Stereo_Count	0
5283547	Undefined_Atom_Stereo_Count	0
7495	TPSA	55
164631	Molecular_Weight	213.19
14373	Hydrogen_Bond_Acceptor_Count	2
19743370	Covalent_Unit_Count	1
73148	Non-hydrogen_Atom_Count	77
248703	Molecular_Weight	248.28
32439	Isotope_Atom_Count	0
14786532	Total_Formal_Charge	0
71814	Hydrogen_Bond_Donor_Count	0
91262377	Structure_Complexity	115
506152	Molecular_Weight	396.5
11758093	Hydrogen_Bond_Acceptor_Count	13
133633	Defined_Bond_Stereo_Count	0
23724510	Defined_Bond_Stereo_Count	3
19424352	Undefined_Bond_Stereo_Count	0
86585	Isotope_Atom_Count	0
5282229	Undefined_Bond_Stereo_Count	0
11105314	Defined_Atom_Stereo_Count	0
9938326	Isotope_Atom_Count	0
7466	Undefined_Atom_Stereo_Count	0
148557	Tautomer_Count	1
15951489	Isotope_Atom_Count	0
225	Defined_Atom_Stereo_Count	0
278580	Undefined_Bond_Stereo_Count	0
20623556	Defined_Bond_Stereo_Count	0
21192822	Mono_Isotopic_Weight	418.1120432
119072	XLogP3-AA	6.3
362828	Mono_Isotopic_Weight	297.11134135
57553	Tautomer_Count	3
135436515	Exact_Mass	444.97762691
6055792	Rotatable_Bond_Count	2
9964081	Molecular_Weight	116.11
1416277	Non-hydrogen_Atom_Count	6
32742	Undefined_Bond_Stereo_Count	0
4786	Structure_Complexity	110
42645248	Defined_Bond_Stereo_Count	0
124159	Molecular_Weight	84.12
64969	Defined_Atom_Stereo_Count	1
157568	Total_Formal_Charge	0
5281521	Structure_Complexity	307
13199930	Hydrogen_Bond_Acceptor_Count	2
53826440	Covalent_Unit_Count	1
21390696	TPSA	49.8
70200	XLogP3-AA	1.6
5640	Molecular_Weight	401.5
63403	Defined_Atom_Stereo_Count	0
69508	Structure_Complexity	304
83669972	XLogP3-AA	0.2
15853200	Covalent_Unit_Count	1
123920	Hydrogen_Bond_Donor_Count	1
11136	Mono_Isotopic_Weight	393.935436
10313382	Hydrogen_Bond_Donor_Count	5
22789	XLogP3	4.4
20429	Undefined_Atom_Stereo_Count	1
448545	Defined_Bond_Stereo_Count	0
1087331	Total_Formal_Charge	0
144189552	Exact_Mass	113.047678466
10727124	Total_Formal_Charge	0
9340	Undefined_Atom_Stereo_Count	1
44453028	Exact_Mass	534.21547206
90977886	Structure_Complexity	96.6
13087266	XLogP3-AA	1.5
6815	XLogP3-AA	8.6
12443800	Hydrogen_Bond_Acceptor_Count	2
9530	Undefined_Bond_Stereo_Count	0
54382	Hydrogen_Bond_Acceptor_Count	9
29228	Structure_Complexity	172
68364859	Defined_Atom_Stereo_Count	0
136592	Defined_Bond_Stereo_Count	0
64919786	Mono_Isotopic_Weight	112.088815002
58247682	Defined_Atom_Stereo_Count	0
10560335	Mono_Isotopic_Weight	208.0767261
119438	Total_Formal_Charge	4
58325	Hydrogen_Bond_Donor_Count	0
88705879	Molecular_Weight	115.13
5904	Structure_Complexity	530
497377	Exact_Mass	360.11214981
5702238	Hydrogen_Bond_Acceptor_Count	3
161930	Structure_Complexity	502
91668186	Tautomer_Count	288
634	Total_Formal_Charge	0
657731	Total_Formal_Charge	0
20119162	Hydrogen_Bond_Donor_Count	2
78175	Mono_Isotopic_Weight	128.047344113
413547	Structure_Complexity	266
62705686	Isotope_Atom_Count	0
66612869	Structure_Complexity	90.4
3775	Hydrogen_Bond_Acceptor_Count	1
1301	Exact_Mass	252.07623855
3000668	Hydrogen_Bond_Donor_Count	1
10558	Covalent_Unit_Count	1
11768718	Mono_Isotopic_Weight	147.03539970
12842606	Non-hydrogen_Atom_Count	7
18212	Mono_Isotopic_Weight	197.12766012
3398	Undefined_Atom_Stereo_Count	1
14818447	Defined_Atom_Stereo_Count	0
53973376	Isotope_Atom_Count	0
149528181	Structure_Complexity	122
60160561	Non-hydrogen_Atom_Count	40
93147	Isotope_Atom_Count	0
167266	Hydrogen_Bond_Donor_Count	2
8365	Rotatable_Bond_Count	3
23892	Undefined_Bond_Stereo_Count	0
5357	Covalent_Unit_Count	1
5282340	Hydrogen_Bond_Donor_Count	0
270362	Hydrogen_Bond_Donor_Count	1
9867812	Covalent_Unit_Count	1
10704662	Undefined_Atom_Stereo_Count	1
10031812	XLogP3-AA	5.1
84072037	Defined_Atom_Stereo_Count	0
87075443	Total_Formal_Charge	0
6733	Isotope_Atom_Count	0
67271	Molecular_Weight	456.6
444863	Defined_Bond_Stereo_Count	0
89392	Exact_Mass	186.161979940
45749	Isotope_Atom_Count	0
169573	Undefined_Atom_Stereo_Count	0
11789157	Structure_Complexity	74.1
140879545	Hydrogen_Bond_Donor_Count	8
123854	Isotope_Atom_Count	0
12088	Rotatable_Bond_Count	2
517383	Exact_Mass	264.09736792
76730	Exact_Mass	257.04365571
57384039	Mono_Isotopic_Weight	371.14945819
688323	Undefined_Bond_Stereo_Count	0
66957927	Non-hydrogen_Atom_Count	34
129834562	XLogP3-AA	1.8
352335	TPSA	60.2
5922	Structure_Complexity	108
135465077	Isotope_Atom_Count	0
32742	Hydrogen_Bond_Acceptor_Count	2
12805738	Structure_Complexity	144
21540	Exact_Mass	183.068413911
29801	Covalent_Unit_Count	2
15408	Structure_Complexity	262
986	Isotope_Atom_Count	0
123212370	Defined_Atom_Stereo_Count	0
37499	Rotatable_Bond_Count	9
10460941	Molecular_Weight	584.7
20639618	TPSA	0
28060	Rotatable_Bond_Count	8
136053758	Structure_Complexity	150
521131	Non-hydrogen_Atom_Count	5
6875624	Exact_Mass	268.10592162
44409094	Non-hydrogen_Atom_Count	27
6614	TPSA	0
6433427	TPSA	126
10510831	XLogP3-AA	0.6
13532837	Isotope_Atom_Count	0
3214	Total_Formal_Charge	0
52564	Exact_Mass	192.05349212
2448	Total_Formal_Charge	0
263086	Molecular_Weight	99.09
147570519	Non-hydrogen_Atom_Count	7
5564	Molecular_Weight	289.5
154515685	Covalent_Unit_Count	1
91185266	Mono_Isotopic_Weight	114.068079557
5289518	Undefined_Bond_Stereo_Count	0
24916845	Defined_Bond_Stereo_Count	0
73919	Undefined_Atom_Stereo_Count	0
9903291	Total_Formal_Charge	0
69861	Hydrogen_Bond_Donor_Count	1
5351548	TPSA	215
21680	Mono_Isotopic_Weight	529.7485
6077	Structure_Complexity	414
6401	Tautomer_Count	1
14619651	Hydrogen_Bond_Acceptor_Count	4
20194	Isotope_Atom_Count	0
13807316	Undefined_Bond_Stereo_Count	0
9841854	Defined_Bond_Stereo_Count	0
9889841	XLogP3-AA	6.5
101663894	Structure_Complexity	811
70825	Molecular_Weight	206.32
435439	Non-hydrogen_Atom_Count	51
58221870	Isotope_Atom_Count	0
58618581	Molecular_Weight	180.16
70691405	Defined_Bond_Stereo_Count	0
23422066	Mono_Isotopic_Weight	162.05416083
45006125	Total_Formal_Charge	0
5477380	Covalent_Unit_Count	1
42623223	Total_Formal_Charge	0
84602	Covalent_Unit_Count	4
7749	Exact_Mass	102.068079557
24848330	Exact_Mass	329.18651766
23663976	Mono_Isotopic_Weight	433.16653072
550687	Molecular_Weight	99.17
27775	Rotatable_Bond_Count	3
131872	Total_Formal_Charge	0
17208	Exact_Mass	192.175224706
22472382	Mono_Isotopic_Weight	113.047678466
715567	Exact_Mass	285.12996879
71464713	Rotatable_Bond_Count	6
21538770	Total_Formal_Charge	0
85307823	Total_Formal_Charge	0
254021	Mono_Isotopic_Weight	223.063328530
10989	Exact_Mass	158.167065321
76355	Rotatable_Bond_Count	3
160765	Undefined_Atom_Stereo_Count	0
6435893	Hydrogen_Bond_Donor_Count	5
2724896	Undefined_Atom_Stereo_Count	0
20055109	Defined_Bond_Stereo_Count	0
76355	Exact_Mass	114.068079557
107202	Hydrogen_Bond_Acceptor_Count	3
44310838	Defined_Atom_Stereo_Count	2
85524	TPSA	23.8
75496	Undefined_Bond_Stereo_Count	0
21583979	Total_Formal_Charge	1
56843466	Defined_Bond_Stereo_Count	0
54041	Exact_Mass	276.183778013
12082259	XLogP3-AA	4.3
20814133	Undefined_Bond_Stereo_Count	0
10976469	Hydrogen_Bond_Donor_Count	4
10255482	Undefined_Atom_Stereo_Count	0
20387223	Total_Formal_Charge	0
206876	Covalent_Unit_Count	1
10784	Defined_Atom_Stereo_Count	0
6145	XLogP3	0.8
120081	Rotatable_Bond_Count	2
30278	Undefined_Atom_Stereo_Count	0
1083	Defined_Bond_Stereo_Count	0
92758	Covalent_Unit_Count	1
10269	Mono_Isotopic_Weight	236.177630004
25868	Total_Formal_Charge	0
24974448	Structure_Complexity	157
52948146	Hydrogen_Bond_Acceptor_Count	5
156285535	Covalent_Unit_Count	1
21879777	Covalent_Unit_Count	1
5283393	Molecular_Weight	303.5
59045964	Exact_Mass	111.068413911
17073	Molecular_Weight	159.44
126737575	Hydrogen_Bond_Donor_Count	1
68079	Rotatable_Bond_Count	2
3775	Mono_Isotopic_Weight	353.259288680
55223	Total_Formal_Charge	0
11600642	Rotatable_Bond_Count	3
8089	Exact_Mass	422.485151978
165649752	Undefined_Bond_Stereo_Count	0
12836760	Defined_Atom_Stereo_Count	0
5310966	Covalent_Unit_Count	1
13433600	Total_Formal_Charge	0
5401	Undefined_Bond_Stereo_Count	0
6619	Non-hydrogen_Atom_Count	21
14172370	Total_Formal_Charge	0
9578	Structure_Complexity	150
124225	Covalent_Unit_Count	1
9595287	Total_Formal_Charge	0
9570071	Molecular_Weight	190.27
72732	Molecular_Weight	242.27
46835340	Undefined_Bond_Stereo_Count	0
656846	Tautomer_Count	3
705645	Undefined_Bond_Stereo_Count	0
118701651	Undefined_Atom_Stereo_Count	3
68940	Undefined_Bond_Stereo_Count	0
9394	Non-hydrogen_Atom_Count	40
73425700	Covalent_Unit_Count	1
24680	Non-hydrogen_Atom_Count	14
3955599	Non-hydrogen_Atom_Count	7
53775252	Exact_Mass	118.062994177
42754	Isotope_Atom_Count	0
135429738	Defined_Atom_Stereo_Count	0
4583824	Structure_Complexity	207
11789162	Non-hydrogen_Atom_Count	8
20393	Tautomer_Count	1
57417071	TPSA	115
23040	Undefined_Atom_Stereo_Count	0
11967617	TPSA	12
445575	Molecular_Weight	388.5
71311141	Mono_Isotopic_Weight	222.161979940
402869	Defined_Atom_Stereo_Count	0
14117201	Hydrogen_Bond_Acceptor_Count	1
6993205	Exact_Mass	304.04603776
524215	XLogP3-AA	2.3
135460621	TPSA	146
8926	Hydrogen_Bond_Acceptor_Count	1
53373584	Isotope_Atom_Count	0
8473	Isotope_Atom_Count	0
12835056	Rotatable_Bond_Count	4
7019255	Tautomer_Count	1
5946	Hydrogen_Bond_Acceptor_Count	1
4149208	Covalent_Unit_Count	1
63546	Non-hydrogen_Atom_Count	38
76225552	Non-hydrogen_Atom_Count	7
2568	Rotatable_Bond_Count	2
7992	Tautomer_Count	1
638057	Non-hydrogen_Atom_Count	7
124708040	Hydrogen_Bond_Acceptor_Count	11
6439628	Defined_Atom_Stereo_Count	6
1470719	Total_Formal_Charge	0
72450871	Non-hydrogen_Atom_Count	7
15209693	Covalent_Unit_Count	1
66565	XLogP3-AA	2.3
44517	Defined_Bond_Stereo_Count	0
87527186	Non-hydrogen_Atom_Count	8
2733939	Exact_Mass	535.761912
131664126	Covalent_Unit_Count	7
21835032	Hydrogen_Bond_Acceptor_Count	1
26136	Undefined_Bond_Stereo_Count	0
58559	Molecular_Weight	288.34
16129665	Defined_Bond_Stereo_Count	0
36647	Hydrogen_Bond_Donor_Count	0
52947103	Rotatable_Bond_Count	7
18182	Isotope_Atom_Count	0
65764	Exact_Mass	325.10625597
5336	Undefined_Bond_Stereo_Count	0
75657	Mono_Isotopic_Weight	127.099714038
163285375	Rotatable_Bond_Count	7
23835544	Covalent_Unit_Count	1
450484	Undefined_Atom_Stereo_Count	0
21996048	Isotope_Atom_Count	0
86805	Exact_Mass	331.17835828
49866025	Defined_Atom_Stereo_Count	2
24901140	Molecular_Weight	503.7
144404363	Undefined_Atom_Stereo_Count	0
7342	Hydrogen_Bond_Acceptor_Count	2
9548696	Total_Formal_Charge	0
550030	Non-hydrogen_Atom_Count	10
141344	Defined_Bond_Stereo_Count	0
242605	Total_Formal_Charge	0
451239	Defined_Atom_Stereo_Count	0
40468194	TPSA	147
611834	Isotope_Atom_Count	0
15806	TPSA	49.3
20670051	Molecular_Weight	318.8
91820207	Molecular_Weight	1579.6
40960	Isotope_Atom_Count	0
6432517	Isotope_Atom_Count	0
46916694	Exact_Mass	432.15460314
84602	Hydrogen_Bond_Donor_Count	0
47932	Total_Formal_Charge	0
2910	Structure_Complexity	758
124604783	Exact_Mass	416.32904526
4583824	Isotope_Atom_Count	0
9571107	Hydrogen_Bond_Donor_Count	2
12086784	Defined_Bond_Stereo_Count	2
5462212	Undefined_Bond_Stereo_Count	0
103609	Total_Formal_Charge	0
16219567	Hydrogen_Bond_Donor_Count	8
3781	Covalent_Unit_Count	1
123920	Covalent_Unit_Count	1
637542	Undefined_Bond_Stereo_Count	0
59354	Hydrogen_Bond_Acceptor_Count	3
18955264	Undefined_Bond_Stereo_Count	0
44629592	Molecular_Weight	579.7
45039680	Covalent_Unit_Count	1
135398578	Defined_Bond_Stereo_Count	0
12500500	Total_Formal_Charge	0
11734	Undefined_Bond_Stereo_Count	0
3283	Hydrogen_Bond_Donor_Count	0
14030006	Molecular_Weight	933.4
59252	Rotatable_Bond_Count	8
458257	Undefined_Atom_Stereo_Count	0
131721456	Structure_Complexity	386
529392	Tautomer_Count	3
14143179	XLogP3-AA	0.5
101320272	Rotatable_Bond_Count	5
44452662	XLogP3-AA	2.9
70281073	Undefined_Bond_Stereo_Count	0
93050	XLogP3-AA	1.5
71541083	Undefined_Bond_Stereo_Count	0
6436158	Covalent_Unit_Count	1
358067	Rotatable_Bond_Count	0
3543259	Total_Formal_Charge	0
61337	Undefined_Bond_Stereo_Count	0
37392	Undefined_Atom_Stereo_Count	1
10409	Hydrogen_Bond_Donor_Count	0
23635314	Defined_Bond_Stereo_Count	0
213046	Defined_Bond_Stereo_Count	0
3924	Mono_Isotopic_Weight	235.181038361
20793238	Rotatable_Bond_Count	1
23664644	Mono_Isotopic_Weight	194.99660851
37425	Rotatable_Bond_Count	1
69705	Structure_Complexity	95.7
62760	Exact_Mass	177.9112548
554363	Undefined_Atom_Stereo_Count	0
90800669	Rotatable_Bond_Count	1
117683867	Molecular_Weight	527.5
46931005	Hydrogen_Bond_Donor_Count	0
91089723	Hydrogen_Bond_Donor_Count	1
33137	Isotope_Atom_Count	0
222536	Hydrogen_Bond_Donor_Count	0
5376733	Mono_Isotopic_Weight	232.125200510
154825180	Mono_Isotopic_Weight	527.23263824
5284613	Hydrogen_Bond_Acceptor_Count	8
13246	TPSA	17.1
301417	Mono_Isotopic_Weight	110.048012819
57246909	Total_Formal_Charge	0
447546	Covalent_Unit_Count	1
60196334	TPSA	113
20192394	Hydrogen_Bond_Acceptor_Count	3
68835	Hydrogen_Bond_Acceptor_Count	3
199402	Hydrogen_Bond_Donor_Count	18
442882	Tautomer_Count	1
132846	TPSA	21.3
2596914	Exact_Mass	372.11437830
137700140	Mono_Isotopic_Weight	369.0880191
139066803	Mono_Isotopic_Weight	440.20009678
90774590	Exact_Mass	84.068748264
62963	Structure_Complexity	1340
72913	Undefined_Atom_Stereo_Count	0
68028	Hydrogen_Bond_Acceptor_Count	4
177084	Defined_Bond_Stereo_Count	0
10839	Mono_Isotopic_Weight	359.24604391
12625	Rotatable_Bond_Count	1
1079	Rotatable_Bond_Count	7
6917880	Defined_Atom_Stereo_Count	9
16213546	Hydrogen_Bond_Acceptor_Count	6
17313	Molecular_Weight	148.63
20297542	Undefined_Atom_Stereo_Count	0
135398631	Undefined_Bond_Stereo_Count	0
11306073	Covalent_Unit_Count	3
12262	Molecular_Weight	104.15
93057	Defined_Atom_Stereo_Count	4
124009720	Hydrogen_Bond_Donor_Count	1
71191	Defined_Bond_Stereo_Count	0
21721015	XLogP3-AA	0.4
12500872	Isotope_Atom_Count	0
13348002	Undefined_Bond_Stereo_Count	0
447378	Undefined_Bond_Stereo_Count	0
12947024	Undefined_Atom_Stereo_Count	0
51142	Structure_Complexity	234
71587288	Hydrogen_Bond_Donor_Count	1
66171	TPSA	17.8
53680485	XLogP3-AA	0.8
129652530	Total_Formal_Charge	0
54454	XLogP3	4.7
10750	Total_Formal_Charge	0
253	Covalent_Unit_Count	1
16667700	Covalent_Unit_Count	2
686703	Mono_Isotopic_Weight	165.078978594
639391	Defined_Bond_Stereo_Count	2
23671562	Non-hydrogen_Atom_Count	40
124201453	Undefined_Atom_Stereo_Count	2
50990009	Undefined_Bond_Stereo_Count	0
1479	Non-hydrogen_Atom_Count	24
65708	Covalent_Unit_Count	1
9935	Isotope_Atom_Count	0
22857281	Exact_Mass	157.104085577
52999	Total_Formal_Charge	0
565251	Undefined_Atom_Stereo_Count	3
93500	Total_Formal_Charge	0
71985	Structure_Complexity	270
6452300	Mono_Isotopic_Weight	156.847063
70445	Structure_Complexity	76.5
91693	Defined_Atom_Stereo_Count	0
221523	Undefined_Atom_Stereo_Count	0
18955264	Hydrogen_Bond_Acceptor_Count	2
54567078	Defined_Bond_Stereo_Count	0
42008	Defined_Bond_Stereo_Count	0
15945857	Undefined_Bond_Stereo_Count	0
12409162	Non-hydrogen_Atom_Count	8
16020938	Defined_Bond_Stereo_Count	0
70680969	Structure_Complexity	729
119307	Undefined_Atom_Stereo_Count	0
681	Defined_Bond_Stereo_Count	0
91365800	Covalent_Unit_Count	1
12850184	Mono_Isotopic_Weight	426.0322461
11569903	Non-hydrogen_Atom_Count	37
145984	Defined_Atom_Stereo_Count	3
23668568	Total_Formal_Charge	0
124886	Undefined_Atom_Stereo_Count	0
1150344	Covalent_Unit_Count	1
44144393	Undefined_Atom_Stereo_Count	2
32051	Tautomer_Count	1
172198	Molecular_Weight	1046.2
25804	Tautomer_Count	1
68557	Rotatable_Bond_Count	10
24473	Undefined_Atom_Stereo_Count	2
192925	Rotatable_Bond_Count	1
11521066	Rotatable_Bond_Count	1
1761	Hydrogen_Bond_Acceptor_Count	8
54712148	Molecular_Weight	429.5
16213460	Defined_Bond_Stereo_Count	0
25154200	Total_Formal_Charge	0
54574891	Mono_Isotopic_Weight	99.104799419
122640	Defined_Bond_Stereo_Count	0
3656821	Hydrogen_Bond_Donor_Count	2
3246390	TPSA	93.4
80045	Structure_Complexity	224
130000966	Defined_Bond_Stereo_Count	0
832	Defined_Bond_Stereo_Count	0
6259976	Tautomer_Count	3
1549237	Defined_Atom_Stereo_Count	0
5885	Isotope_Atom_Count	0
66112	Tautomer_Count	1
107694	Exact_Mass	712.3530671
134695341	Structure_Complexity	1550
544137	Rotatable_Bond_Count	0
4944	TPSA	47.6
321858	Total_Formal_Charge	0
137635	Tautomer_Count	3
22328014	Structure_Complexity	99.2
133562729	Mono_Isotopic_Weight	1084.47265329
12814867	Hydrogen_Bond_Donor_Count	1
6436061	XLogP3	1.1
21276	Covalent_Unit_Count	1
519559	Isotope_Atom_Count	0
10178705	XLogP3-AA	1.1
69862751	Non-hydrogen_Atom_Count	10
8110	Exact_Mass	99.068413911
11329359	Total_Formal_Charge	0
954767	Molecular_Weight	279.3
96651	Undefined_Bond_Stereo_Count	0
16212746	Undefined_Atom_Stereo_Count	0
6762	Molecular_Weight	446.0
84788	Isotope_Atom_Count	0
24678	Undefined_Atom_Stereo_Count	0
12398601	Structure_Complexity	126
58270057	Isotope_Atom_Count	0
216208	Structure_Complexity	878
7454	Hydrogen_Bond_Donor_Count	0
21864086	Undefined_Bond_Stereo_Count	0
55284853	Isotope_Atom_Count	0
90915688	Defined_Atom_Stereo_Count	0
5482	Molecular_Weight	387.7
27944	Total_Formal_Charge	0
16157	Defined_Bond_Stereo_Count	0
136490	Exact_Mass	96.057514874
907457	Total_Formal_Charge	0
10057607	Defined_Atom_Stereo_Count	0
101836	Isotope_Atom_Count	0
71583051	XLogP3-AA	1.7
45270144	Rotatable_Bond_Count	8
123167244	Total_Formal_Charge	0
38884	Non-hydrogen_Atom_Count	21
39793	Covalent_Unit_Count	1
77129	Structure_Complexity	46.8
9865514	Hydrogen_Bond_Acceptor_Count	4
12628	Molecular_Weight	296.39
5284587	Rotatable_Bond_Count	2
124069	Defined_Atom_Stereo_Count	0
62539	TPSA	34.1
3035914	Exact_Mass	258.15929460
5496862	TPSA	117
402035	Mono_Isotopic_Weight	528.06986
11482181	Hydrogen_Bond_Acceptor_Count	4
83150	Undefined_Bond_Stereo_Count	0
9870843	Mono_Isotopic_Weight	506.05008122
5282321	Defined_Atom_Stereo_Count	8
40523471	Defined_Bond_Stereo_Count	0
119182	Mono_Isotopic_Weight	303.0534451
6133	Hydrogen_Bond_Donor_Count	7
321425	Total_Formal_Charge	0
86015	Structure_Complexity	178
83803459	XLogP3-AA	0
67556876	Defined_Bond_Stereo_Count	1
589692	Structure_Complexity	138
5976	Exact_Mass	60.068748264
15418402	Rotatable_Bond_Count	0
39421	Undefined_Atom_Stereo_Count	10
44565820	Non-hydrogen_Atom_Count	23
6971070	Structure_Complexity	198
54144657	Undefined_Bond_Stereo_Count	1
21448982	Defined_Atom_Stereo_Count	0
12734620	XLogP3-AA	1.9
9939627	Hydrogen_Bond_Acceptor_Count	11
143440	Hydrogen_Bond_Acceptor_Count	2
75779	Defined_Bond_Stereo_Count	0
23349319	Defined_Bond_Stereo_Count	0
12579106	XLogP3-AA	0.9
6436057	Isotope_Atom_Count	0
44630475	Covalent_Unit_Count	2
23056	Defined_Bond_Stereo_Count	0
25006686	XLogP3-AA	4.7
1499	XLogP3-AA	3.4
829002	Defined_Atom_Stereo_Count	1
89342	Exact_Mass	86.084398327
524667	Undefined_Atom_Stereo_Count	1
21161643	Isotope_Atom_Count	0
12582	Undefined_Atom_Stereo_Count	0
57401295	XLogP3-AA	3
23696271	Undefined_Bond_Stereo_Count	0
59748794	TPSA	279
61917	Undefined_Atom_Stereo_Count	2
3475	Hydrogen_Bond_Donor_Count	2
3427	Structure_Complexity	382
6436219	Structure_Complexity	634
11326613	Non-hydrogen_Atom_Count	29
12462026	Defined_Bond_Stereo_Count	0
465951	Rotatable_Bond_Count	4
131287	Undefined_Atom_Stereo_Count	0
153997402	Hydrogen_Bond_Donor_Count	1
44119664	Defined_Bond_Stereo_Count	0
2129	Hydrogen_Bond_Donor_Count	2
344865	Rotatable_Bond_Count	6
79014	Hydrogen_Bond_Donor_Count	2
3401849	Isotope_Atom_Count	0
123223	Exact_Mass	104.083729621
58247512	XLogP3-AA	1.3
10138259	Total_Formal_Charge	0
123452974	XLogP3-AA	1.2
5554	TPSA	60.7
14947257	TPSA	37.9
93374	Structure_Complexity	65.3
19828625	Hydrogen_Bond_Acceptor_Count	0
85979179	Molecular_Weight	83.09
62016	Total_Formal_Charge	0
12746990	Rotatable_Bond_Count	0
5363858	Undefined_Atom_Stereo_Count	1
44590447	Defined_Bond_Stereo_Count	0
9879368	Molecular_Weight	263.4
6921705	Rotatable_Bond_Count	2
2285	Isotope_Atom_Count	0
2783363	Total_Formal_Charge	0
91415017	Hydrogen_Bond_Donor_Count	2
3019670	Molecular_Weight	82.10
265652	Isotope_Atom_Count	0
6671	Isotope_Atom_Count	0
195347	Defined_Atom_Stereo_Count	0
13	Mono_Isotopic_Weight	179.930033
7583	Molecular_Weight	170.21
20975302	Mono_Isotopic_Weight	117.042593085
45116623	Molecular_Weight	101.10
13000144	Total_Formal_Charge	0
20067437	Defined_Bond_Stereo_Count	0
54246209	Undefined_Bond_Stereo_Count	0
9476	Defined_Atom_Stereo_Count	4
21672	Hydrogen_Bond_Acceptor_Count	2
21253562	Tautomer_Count	1
5357696	Mono_Isotopic_Weight	84.91178974
61370	Exact_Mass	100.088815002
141697522	Non-hydrogen_Atom_Count	12
83596	Defined_Bond_Stereo_Count	0
21670825	Undefined_Atom_Stereo_Count	0
70430	Exact_Mass	489.22864706
59657855	Exact_Mass	101.084063974
5353	Structure_Complexity	368
3763454	Tautomer_Count	1
9696	Isotope_Atom_Count	0
69342023	Isotope_Atom_Count	0
10046374	Hydrogen_Bond_Donor_Count	2
15721166	Non-hydrogen_Atom_Count	8
21169	TPSA	55.4
442636	Undefined_Atom_Stereo_Count	0
14536538	Hydrogen_Bond_Acceptor_Count	4
10931404	TPSA	37.3
90976358	Isotope_Atom_Count	0
17799937	Molecular_Weight	98.15
20472042	Exact_Mass	140.047344113
81876	Non-hydrogen_Atom_Count	19
92403971	Mono_Isotopic_Weight	420.20088463
5672	Hydrogen_Bond_Donor_Count	2
826843	Undefined_Atom_Stereo_Count	0
42745	Mono_Isotopic_Weight	186.161979940
22065792	Defined_Bond_Stereo_Count	0
4658	Covalent_Unit_Count	1
12986478	Structure_Complexity	103
573419	Isotope_Atom_Count	0
11412863	Exact_Mass	192.0828400
10019237	Rotatable_Bond_Count	8
4283516	TPSA	231
54517091	Defined_Bond_Stereo_Count	0
23380334	Total_Formal_Charge	0
57522038	Hydrogen_Bond_Acceptor_Count	4
94830	Hydrogen_Bond_Donor_Count	1
13698	Exact_Mass	193.089149355
71414	Total_Formal_Charge	0
65489	Isotope_Atom_Count	0
12399560	Isotope_Atom_Count	0
76113	Defined_Bond_Stereo_Count	0
4599	Isotope_Atom_Count	0
20055083	Defined_Bond_Stereo_Count	3
3022	Defined_Bond_Stereo_Count	0
21694865	TPSA	26
139590844	Molecular_Weight	224.25
9802	Covalent_Unit_Count	1
12721	Undefined_Atom_Stereo_Count	0
22055193	Total_Formal_Charge	0
14782	Total_Formal_Charge	0
129859783	TPSA	41.5
57023262	Exact_Mass	100.052429494
58827	Covalent_Unit_Count	1
66636	Mono_Isotopic_Weight	232.08479225
13672886	Defined_Bond_Stereo_Count	0
1064	Exact_Mass	192.06338810
126290	Tautomer_Count	2
9995043	Undefined_Atom_Stereo_Count	0
11159486	Non-hydrogen_Atom_Count	12
3276	Rotatable_Bond_Count	4
6387197	Undefined_Bond_Stereo_Count	0
57473011	Hydrogen_Bond_Donor_Count	0
17405	TPSA	142
18312	Undefined_Bond_Stereo_Count	0
59164	Isotope_Atom_Count	0
3037798	Undefined_Bond_Stereo_Count	0
9794218	TPSA	54
38879	Non-hydrogen_Atom_Count	16
6433101	Molecular_Weight	452.5
24838350	Tautomer_Count	24
14789	Defined_Bond_Stereo_Count	0
546946	Structure_Complexity	52
44407551	TPSA	151
247818	Defined_Atom_Stereo_Count	0
6102820	Rotatable_Bond_Count	3
89415004	Exact_Mass	116.083729621
89292361	Molecular_Weight	100.16
59799570	Non-hydrogen_Atom_Count	25
5311053	Mono_Isotopic_Weight	424.1652663
104838	Undefined_Atom_Stereo_Count	0
12180	Defined_Bond_Stereo_Count	0
40893	Hydrogen_Bond_Donor_Count	0
22160	Covalent_Unit_Count	1
69462939	Mono_Isotopic_Weight	112.063662883
12787246	Non-hydrogen_Atom_Count	8
68802	Defined_Atom_Stereo_Count	0
88043361	TPSA	66.9
75779	Defined_Atom_Stereo_Count	0
517121	Structure_Complexity	225
4219136	Defined_Bond_Stereo_Count	0
26631	Defined_Atom_Stereo_Count	0
160230029	Non-hydrogen_Atom_Count	8
191468	Covalent_Unit_Count	1
85489	TPSA	77.9
34870	Covalent_Unit_Count	1
82593532	Rotatable_Bond_Count	1
160817	Defined_Atom_Stereo_Count	0
3055174	Hydrogen_Bond_Acceptor_Count	8
6127	Molecular_Weight	278.4
10920498	Undefined_Bond_Stereo_Count	0
64781	Undefined_Bond_Stereo_Count	0
675533	Exact_Mass	283.09569129
6437877	Undefined_Bond_Stereo_Count	0
68870	Exact_Mass	436.1223562
21278826	Mono_Isotopic_Weight	98.084398327
138801	Mono_Isotopic_Weight	274.266051085
108147	Tautomer_Count	96
23665584	Exact_Mass	342.10793260
716315	Molecular_Weight	183.18
123385140	Hydrogen_Bond_Acceptor_Count	1
22628	Exact_Mass	380.93066
452521	Rotatable_Bond_Count	10
25137873	Non-hydrogen_Atom_Count	54
20393	Exact_Mass	278.15180918
2764838	Hydrogen_Bond_Donor_Count	0
12508	Molecular_Weight	116.16
77756	Structure_Complexity	179
164912	Total_Formal_Charge	1
9949812	Total_Formal_Charge	0
2723650	Isotope_Atom_Count	0
198068	Isotope_Atom_Count	0
16205075	Mono_Isotopic_Weight	104.01700999
19933	Covalent_Unit_Count	1
10086969	Non-hydrogen_Atom_Count	6
20848	Mono_Isotopic_Weight	345.09945651
198706	Hydrogen_Bond_Acceptor_Count	5
11451	TPSA	83
71342	XLogP3-AA	2.5
2742181	Defined_Atom_Stereo_Count	0
9835868	Molecular_Weight	297.5
256930	Defined_Bond_Stereo_Count	0
12041	Tautomer_Count	2
16497	TPSA	40.5
115305	Hydrogen_Bond_Donor_Count	2
12250944	Undefined_Atom_Stereo_Count	0
6173	Exact_Mass	422.19877662
6332	Undefined_Atom_Stereo_Count	0
23053647	Isotope_Atom_Count	0
738164	Rotatable_Bond_Count	3
123904644	Molecular_Weight	108.18
104802	TPSA	223
8048	Hydrogen_Bond_Donor_Count	0
21662383	Hydrogen_Bond_Donor_Count	0
864	XLogP3-AA	1.7
49909	TPSA	36.9
518	Hydrogen_Bond_Acceptor_Count	19
5455	Hydrogen_Bond_Acceptor_Count	4
68940	Structure_Complexity	685
11416891	Defined_Bond_Stereo_Count	0
36332	Non-hydrogen_Atom_Count	12
90698789	Structure_Complexity	68
24639	Defined_Bond_Stereo_Count	0
71322980	Exact_Mass	116.083729621
4923	Defined_Bond_Stereo_Count	0
2937	Undefined_Bond_Stereo_Count	2
114416774	Mono_Isotopic_Weight	108.068748264
439224	Defined_Atom_Stereo_Count	1
4712993	Hydrogen_Bond_Donor_Count	0
14051	Hydrogen_Bond_Acceptor_Count	4
79032	Structure_Complexity	129
68869	Total_Formal_Charge	0
5486700	Structure_Complexity	1560
107744	Molecular_Weight	277.08
537877	Hydrogen_Bond_Acceptor_Count	1
5320	Defined_Bond_Stereo_Count	0
93251	Hydrogen_Bond_Acceptor_Count	0
53856650	Hydrogen_Bond_Donor_Count	0
123895	Rotatable_Bond_Count	6
15940870	Rotatable_Bond_Count	4
249786	Structure_Complexity	264
101870	Hydrogen_Bond_Donor_Count	0
38464	Non-hydrogen_Atom_Count	16
24781	Molecular_Weight	99.09
4662	Isotope_Atom_Count	0
75471	Molecular_Weight	157.25
63834	Defined_Atom_Stereo_Count	0
12960	Hydrogen_Bond_Acceptor_Count	13
118994155	Defined_Bond_Stereo_Count	0
13924394	Hydrogen_Bond_Acceptor_Count	2
6436082	Isotope_Atom_Count	0
91583	Covalent_Unit_Count	1
131451243	Molecular_Weight	95.10
71245288	Isotope_Atom_Count	0
65238029	Exact_Mass	113.084063974
6857536	Rotatable_Bond_Count	0
12201381	Defined_Bond_Stereo_Count	0
20483578	Non-hydrogen_Atom_Count	8
95070	TPSA	66.4
2734237	Defined_Atom_Stereo_Count	0
39272	Tautomer_Count	1
260809	Rotatable_Bond_Count	0
292283	Undefined_Atom_Stereo_Count	0
68321924	Total_Formal_Charge	0
1057	Covalent_Unit_Count	1
638024	Undefined_Atom_Stereo_Count	0
319343	Defined_Atom_Stereo_Count	0
3083542	Tautomer_Count	2
6999941	Exact_Mass	140.120115130
70412	Isotope_Atom_Count	0
57656729	Total_Formal_Charge	0
76589	XLogP3-AA	2.6
86183	TPSA	54.1
11972518	Molecular_Weight	1111.3
3323161	Undefined_Atom_Stereo_Count	1
184841	XLogP3-AA	2.9
2144	Defined_Bond_Stereo_Count	0
18955656	Defined_Bond_Stereo_Count	0
55285553	Exact_Mass	101.084063974
54041	Tautomer_Count	2
117859259	Total_Formal_Charge	0
8653	Exact_Mass	216.0341926
6266	Non-hydrogen_Atom_Count	23
7283	XLogP3-AA	1
33791	Non-hydrogen_Atom_Count	14
53881088	Undefined_Bond_Stereo_Count	0
60602	Exact_Mass	609.28388597
57385877	XLogP3-AA	3
71736	Mono_Isotopic_Weight	546.9612375
131632305	Hydrogen_Bond_Acceptor_Count	5
15202944	Molecular_Weight	73.09
65910	Molecular_Weight	558.5
135618542	Hydrogen_Bond_Acceptor_Count	14
5094	Undefined_Bond_Stereo_Count	0
2863945	Non-hydrogen_Atom_Count	30
94987	Molecular_Weight	284.3
35726	Molecular_Weight	350.3
87063833	Molecular_Weight	178.76
10484815	Non-hydrogen_Atom_Count	50
170359	TPSA	54
7296	Non-hydrogen_Atom_Count	6
75195	Covalent_Unit_Count	1
10212	Defined_Bond_Stereo_Count	0
15424	Exact_Mass	375.1965069
66545764	Non-hydrogen_Atom_Count	37
17304	Isotope_Atom_Count	0
2776666	Non-hydrogen_Atom_Count	10
41282	Hydrogen_Bond_Acceptor_Count	0
10610	Exact_Mass	358.13511374
657238	Hydrogen_Bond_Donor_Count	2
604	Rotatable_Bond_Count	5
139600236	TPSA	49.7
59968312	Rotatable_Bond_Count	0
14440442	Exact_Mass	100.03851076
46231499	Hydrogen_Bond_Donor_Count	1
63390	Defined_Bond_Stereo_Count	0
91298647	Isotope_Atom_Count	0
71698	XLogP3	2.3
4478	Isotope_Atom_Count	0
20517316	Molecular_Weight	99.17
11710986	XLogP3-AA	3.8
444474	Exact_Mass	239.13822480
13123	Defined_Bond_Stereo_Count	0
22091090	Defined_Bond_Stereo_Count	0
5312153	Tautomer_Count	6
77195	Molecular_Weight	100.16
135391144	Rotatable_Bond_Count	8
12374	TPSA	40.5
86373	Mono_Isotopic_Weight	773.9520949
16772299	Exact_Mass	99.104799419
75534860	Structure_Complexity	1220
85838693	Total_Formal_Charge	0
20390093	Mono_Isotopic_Weight	100.027277375
4136	Hydrogen_Bond_Donor_Count	1
50856	Rotatable_Bond_Count	5
15106	Total_Formal_Charge	0
54585373	Hydrogen_Bond_Acceptor_Count	8
17753992	Defined_Atom_Stereo_Count	3
79125	Defined_Atom_Stereo_Count	0
10612	Tautomer_Count	1
9552077	Isotope_Atom_Count	0
71464039	Mono_Isotopic_Weight	98.048012819
20473	Hydrogen_Bond_Donor_Count	1
84647649	Non-hydrogen_Atom_Count	8
22451301	Undefined_Atom_Stereo_Count	0
2909	Isotope_Atom_Count	0
9952396	Mono_Isotopic_Weight	391.24710654
9462	Defined_Atom_Stereo_Count	0
6400441	Structure_Complexity	1740
46235922	TPSA	98.1
21519587	Undefined_Bond_Stereo_Count	0
57291121	Total_Formal_Charge	0
3034814	Hydrogen_Bond_Donor_Count	1
13150523	Hydrogen_Bond_Donor_Count	1
3679006	Molecular_Weight	190.15
28424	Total_Formal_Charge	0
5362708	Mono_Isotopic_Weight	266.18819469
11697697	Defined_Atom_Stereo_Count	0
14187216	TPSA	83.6
10460941	Non-hydrogen_Atom_Count	42
9810773	Exact_Mass	759.30369518
6232	Covalent_Unit_Count	1
53317992	Covalent_Unit_Count	1
12580406	Hydrogen_Bond_Donor_Count	2
67989199	Mono_Isotopic_Weight	100.100048391
395450	Hydrogen_Bond_Acceptor_Count	7
54160801	Hydrogen_Bond_Acceptor_Count	2
118701083	TPSA	84.1
104838	Mono_Isotopic_Weight	299.09397721
24808640	Molecular_Weight	94.11
8555	Total_Formal_Charge	0
76783	Mono_Isotopic_Weight	626.53078201
11492	Undefined_Bond_Stereo_Count	0
13438401	XLogP3-AA	0.6
21894213	TPSA	38.8
85	Rotatable_Bond_Count	4
62904	Mono_Isotopic_Weight	454.16132771
122517441	Molecular_Weight	270.32
16058	TPSA	62
10129928	Covalent_Unit_Count	1
5368076	Defined_Atom_Stereo_Count	0
14809953	XLogP3-AA	1.1
80566	Hydrogen_Bond_Donor_Count	0
104766	Covalent_Unit_Count	1
995634	Hydrogen_Bond_Donor_Count	1
53398649	Non-hydrogen_Atom_Count	26
208	Undefined_Atom_Stereo_Count	5
9207	Hydrogen_Bond_Donor_Count	0
6271	Defined_Bond_Stereo_Count	0
54767229	Hydrogen_Bond_Donor_Count	1
7936	Structure_Complexity	70.8
2782896	Undefined_Bond_Stereo_Count	0
12760718	Non-hydrogen_Atom_Count	8
134812477	Structure_Complexity	851
141315890	Defined_Bond_Stereo_Count	0
160430	TPSA	84.6
9884642	Covalent_Unit_Count	1
129711468	Undefined_Atom_Stereo_Count	1
716995	Non-hydrogen_Atom_Count	20
5223	Isotope_Atom_Count	0
6437387	Mono_Isotopic_Weight	416.32904526
13568632	Isotope_Atom_Count	0
14536436	Mono_Isotopic_Weight	113.02992040
825877	Defined_Bond_Stereo_Count	0
954673	Isotope_Atom_Count	0
36302	Structure_Complexity	448
11356283	Mono_Isotopic_Weight	211.08445790
5367460	Covalent_Unit_Count	1
13820629	Non-hydrogen_Atom_Count	8
3033968	Structure_Complexity	648
76743	Exact_Mass	309.0323340
2752588	Isotope_Atom_Count	0
133952	Undefined_Atom_Stereo_Count	2
28718	Total_Formal_Charge	0
5151436	Covalent_Unit_Count	1
409301	Exact_Mass	251.962971
127030167	Exact_Mass	932.52271925
2222	Non-hydrogen_Atom_Count	53
56427	Undefined_Atom_Stereo_Count	2
7955	Total_Formal_Charge	0
93171	Tautomer_Count	1
286595	XLogP3-AA	1.6
13582	Hydrogen_Bond_Donor_Count	1
85307823	Mono_Isotopic_Weight	115.063328530
21910271	Hydrogen_Bond_Acceptor_Count	6
53896476	Hydrogen_Bond_Acceptor_Count	1
9570985	Non-hydrogen_Atom_Count	38
57391652	Defined_Atom_Stereo_Count	4
13316132	Defined_Atom_Stereo_Count	0
22561495	Structure_Complexity	192
25014598	Total_Formal_Charge	0
7157070	Isotope_Atom_Count	0
66598	TPSA	26.3
13848132	Non-hydrogen_Atom_Count	7
138801	Structure_Complexity	269
10198924	Hydrogen_Bond_Donor_Count	4
198382	Undefined_Bond_Stereo_Count	0
133562634	Isotope_Atom_Count	0
1268142	TPSA	17.1
7628	Rotatable_Bond_Count	0
67561	Hydrogen_Bond_Donor_Count	0
27212	Defined_Bond_Stereo_Count	0
16211337	Non-hydrogen_Atom_Count	23
3375	Hydrogen_Bond_Donor_Count	3
12313523	Exact_Mass	222.173213330
708	Molecular_Weight	722.9
81574	Total_Formal_Charge	0
860	Exact_Mass	278.224580195
88866	Structure_Complexity	299
9942131	Non-hydrogen_Atom_Count	8
65677	Hydrogen_Bond_Acceptor_Count	3
57716	Total_Formal_Charge	0
99084	Undefined_Atom_Stereo_Count	2
240373	Hydrogen_Bond_Donor_Count	2
409548	Total_Formal_Charge	0
69232870	Non-hydrogen_Atom_Count	8
66007	Rotatable_Bond_Count	5
10431444	Molecular_Weight	406.4
70734	Non-hydrogen_Atom_Count	9
317061	Exact_Mass	97.052763847
67108443	Molecular_Weight	341.9
70580528	Rotatable_Bond_Count	2
3357	Molecular_Weight	369.34
12332146	Defined_Atom_Stereo_Count	0
53862531	Covalent_Unit_Count	1
16760285	Covalent_Unit_Count	2
71308751	Hydrogen_Bond_Acceptor_Count	16
9416	Hydrogen_Bond_Acceptor_Count	3
70687254	Defined_Bond_Stereo_Count	0
208922	TPSA	6.5
662986	Covalent_Unit_Count	1
3598	Molecular_Weight	406.9
53883934	Hydrogen_Bond_Acceptor_Count	1
66321	Molecular_Weight	133.9
70697507	Molecular_Weight	300.4
22848362	Non-hydrogen_Atom_Count	24
37632	TPSA	46.3
5458769	Structure_Complexity	1830
117957447	Hydrogen_Bond_Acceptor_Count	3
18392	Mono_Isotopic_Weight	130.062994177
57234721	Mono_Isotopic_Weight	96.057514874
78164864	Total_Formal_Charge	0
63009	Non-hydrogen_Atom_Count	21
11333	Undefined_Bond_Stereo_Count	0
8062	Exact_Mass	80.037448136
912	Tautomer_Count	2
22475863	TPSA	32.3
8262	Defined_Atom_Stereo_Count	0
12395962	Defined_Atom_Stereo_Count	0
56673690	Molecular_Weight	508.0
43457	Rotatable_Bond_Count	4
67406	Undefined_Atom_Stereo_Count	0
289149	Covalent_Unit_Count	1
65840	Isotope_Atom_Count	0
2963	Hydrogen_Bond_Donor_Count	0
68868	Defined_Atom_Stereo_Count	7
68365444	Rotatable_Bond_Count	0
63979	Undefined_Atom_Stereo_Count	1
42510	Defined_Bond_Stereo_Count	0
25246317	Undefined_Atom_Stereo_Count	4
19390240	XLogP3-AA	3.2
101316975	Non-hydrogen_Atom_Count	38
156614100	Defined_Atom_Stereo_Count	0
130802	Total_Formal_Charge	0
19003653	Undefined_Bond_Stereo_Count	0
23681107	Undefined_Bond_Stereo_Count	0
29778	TPSA	80.7
164543616	Rotatable_Bond_Count	2
76229	Tautomer_Count	1
5222844	Hydrogen_Bond_Donor_Count	1
398701	Total_Formal_Charge	0
24845095	Mono_Isotopic_Weight	337.1193192
55008	Exact_Mass	525.36168206
53484567	Isotope_Atom_Count	0
96405	Mono_Isotopic_Weight	147.048427358
124809080	Mono_Isotopic_Weight	527.23263824
62865	Molecular_Weight	323.5
444215	Covalent_Unit_Count	1
124579	Isotope_Atom_Count	0
104726	Hydrogen_Bond_Donor_Count	0
45806	Total_Formal_Charge	2
487	Defined_Atom_Stereo_Count	0
8166	Exact_Mass	218.1437430
517985	Structure_Complexity	106
80654	Isotope_Atom_Count	0
5311053	XLogP3	2.7
135407187	Structure_Complexity	354
16415729	Non-hydrogen_Atom_Count	18
51299	XLogP3	1.9
50516	Exact_Mass	502.1271047
57174138	Rotatable_Bond_Count	2
7363	Isotope_Atom_Count	0
66248	TPSA	46.5
123754760	Structure_Complexity	135
1182	Isotope_Atom_Count	0
4248	Total_Formal_Charge	0
19100566	Hydrogen_Bond_Donor_Count	2
104954	Rotatable_Bond_Count	2
47419	Defined_Atom_Stereo_Count	2
134693234	Undefined_Bond_Stereo_Count	0
89445694	Hydrogen_Bond_Donor_Count	0
60159	Isotope_Atom_Count	0
13379958	XLogP3-AA	0.6
135019428	Total_Formal_Charge	0
3006315	Rotatable_Bond_Count	2
5360521	Covalent_Unit_Count	1
12387217	Hydrogen_Bond_Donor_Count	1
37924	Mono_Isotopic_Weight	251.9744848
72165188	Defined_Bond_Stereo_Count	0
74904	Hydrogen_Bond_Acceptor_Count	2
63142	Hydrogen_Bond_Acceptor_Count	3
58173	Defined_Bond_Stereo_Count	0
15084875	Rotatable_Bond_Count	2
53918	Defined_Bond_Stereo_Count	0
68304261	Defined_Atom_Stereo_Count	0
12695795	Defined_Bond_Stereo_Count	0
27447	Isotope_Atom_Count	0
54250649	Exact_Mass	111.068413911
12539007	Structure_Complexity	157
16211032	Non-hydrogen_Atom_Count	23
69938	Tautomer_Count	1
10931394	Undefined_Atom_Stereo_Count	0
11115809	Structure_Complexity	2110
31072	Covalent_Unit_Count	1
135442196	Mono_Isotopic_Weight	803.09524014
10355488	Structure_Complexity	500
53714679	Rotatable_Bond_Count	0
444025	Structure_Complexity	882
1549097	Undefined_Bond_Stereo_Count	0
91701304	Mono_Isotopic_Weight	100.027277375
22967002	Isotope_Atom_Count	0
91711338	Mono_Isotopic_Weight	302.224580195
78913	Undefined_Bond_Stereo_Count	0
3356829	Defined_Bond_Stereo_Count	0
67497	XLogP3-AA	3.9
121543	Isotope_Atom_Count	0
90617	Covalent_Unit_Count	1
693050	Defined_Atom_Stereo_Count	1
10300618	Undefined_Bond_Stereo_Count	0
10021783	XLogP3-AA	5.4
66425	Undefined_Atom_Stereo_Count	0
5323977	Structure_Complexity	152
8070	Covalent_Unit_Count	1
11573395	Defined_Bond_Stereo_Count	0
8518	Undefined_Atom_Stereo_Count	0
12905096	Covalent_Unit_Count	1
11048	Covalent_Unit_Count	3
12040509	Undefined_Atom_Stereo_Count	0
79254	Undefined_Atom_Stereo_Count	0
432760	Undefined_Atom_Stereo_Count	10
550825	Total_Formal_Charge	0
124021837	Defined_Atom_Stereo_Count	0
457302	Exact_Mass	670.31914349
11245700	Hydrogen_Bond_Donor_Count	1
12387212	Molecular_Weight	104.10
62108	Non-hydrogen_Atom_Count	32
62654	XLogP3-AA	2.7
70677	Total_Formal_Charge	0
11503417	Defined_Bond_Stereo_Count	0
22631092	TPSA	43.1
9810771	Defined_Atom_Stereo_Count	1
93154	Structure_Complexity	390
5284439	Non-hydrogen_Atom_Count	28
1795	Tautomer_Count	11
78234	Rotatable_Bond_Count	12
68089	Non-hydrogen_Atom_Count	22
13017	Non-hydrogen_Atom_Count	9
15690	Total_Formal_Charge	0
70732	Defined_Atom_Stereo_Count	0
69396	Rotatable_Bond_Count	2
59059061	Molecular_Weight	113.09
57066209	Hydrogen_Bond_Acceptor_Count	2
69362	Molecular_Weight	118.13
287350	Defined_Bond_Stereo_Count	0
49091	Isotope_Atom_Count	0
68361013	Exact_Mass	342.11621151
4936	Isotope_Atom_Count	0
3035829	Rotatable_Bond_Count	4
153386581	Rotatable_Bond_Count	1
2545	Hydrogen_Bond_Acceptor_Count	4
65376195	Hydrogen_Bond_Acceptor_Count	1
51671	TPSA	131
6715	TPSA	51.2
15405197	TPSA	6.5
84339	Covalent_Unit_Count	1
34041	Isotope_Atom_Count	0
177	TPSA	17.1
8461	Molecular_Weight	182.13
19966840	Rotatable_Bond_Count	0
6315	TPSA	107
10407447	Isotope_Atom_Count	0
54456063	Mono_Isotopic_Weight	113.084063974
47795	Hydrogen_Bond_Donor_Count	1
56842108	Covalent_Unit_Count	2
4066245	Non-hydrogen_Atom_Count	22
42761	Isotope_Atom_Count	0
91298633	Hydrogen_Bond_Donor_Count	1
14867020	Total_Formal_Charge	0
574808	Rotatable_Bond_Count	0
55004	Rotatable_Bond_Count	0
90757603	Structure_Complexity	102
12594	Total_Formal_Charge	0
174111	Hydrogen_Bond_Donor_Count	0
21336123	Non-hydrogen_Atom_Count	8
47795	TPSA	41.6
112072	Undefined_Bond_Stereo_Count	0
16135415	Hydrogen_Bond_Acceptor_Count	46
139243813	Molecular_Weight	80.10
72200357	XLogP3-AA	3.3
5365748	Structure_Complexity	197
5271565	Mono_Isotopic_Weight	144.04225873
2763024	Defined_Atom_Stereo_Count	0
146689208	Defined_Atom_Stereo_Count	0
23723027	Structure_Complexity	121
85065	Undefined_Bond_Stereo_Count	0
53656122	Exact_Mass	177.07495584
1688	Mono_Isotopic_Weight	318.0326684
25657	Hydrogen_Bond_Acceptor_Count	1
751826	Hydrogen_Bond_Donor_Count	1
92660	Mono_Isotopic_Weight	245.0122673
19787449	Covalent_Unit_Count	1
11232	Structure_Complexity	416
12435	Undefined_Atom_Stereo_Count	0
96759	Exact_Mass	304.121177757
68180	Defined_Bond_Stereo_Count	0
18329111	Undefined_Atom_Stereo_Count	0
32184	Defined_Atom_Stereo_Count	0
129539	Structure_Complexity	412
19077501	Defined_Atom_Stereo_Count	0
117969398	Isotope_Atom_Count	0
124518033	Defined_Atom_Stereo_Count	0
7361	Undefined_Atom_Stereo_Count	0
53707229	Mono_Isotopic_Weight	94.041864811
3714831	Non-hydrogen_Atom_Count	11
129148	Covalent_Unit_Count	1
13250495	Total_Formal_Charge	0
11357	Mono_Isotopic_Weight	121.089149355
124019740	Covalent_Unit_Count	1
81762	Hydrogen_Bond_Acceptor_Count	4
2341	Exact_Mass	239.167399674
87595	Defined_Bond_Stereo_Count	0
29033	Undefined_Bond_Stereo_Count	0
5232201	Isotope_Atom_Count	0
124224931	Non-hydrogen_Atom_Count	59
66545764	Rotatable_Bond_Count	8
6742	Structure_Complexity	605
56055	Undefined_Bond_Stereo_Count	1
6918223	Molecular_Weight	304.73
123716071	Hydrogen_Bond_Acceptor_Count	1
213049	Undefined_Bond_Stereo_Count	0
54368808	Defined_Bond_Stereo_Count	0
60769	Structure_Complexity	512
6165447	Mono_Isotopic_Weight	226.03381930
1718	Hydrogen_Bond_Acceptor_Count	4
18946	Defined_Atom_Stereo_Count	0
31620	Isotope_Atom_Count	0
225710	Undefined_Atom_Stereo_Count	1
55287417	Molecular_Weight	115.17
544588	Defined_Bond_Stereo_Count	0
87901	Hydrogen_Bond_Acceptor_Count	6
10203245	Structure_Complexity	574
4306436	Non-hydrogen_Atom_Count	22
2921148	Tautomer_Count	2
20453897	Undefined_Bond_Stereo_Count	0
441245	XLogP3-AA	2.5
163957061	Defined_Bond_Stereo_Count	0
98397	Rotatable_Bond_Count	2
137643	Exact_Mass	112.088815002
5130673	Exact_Mass	96.032362755
534496	TPSA	42.5
19779961	Undefined_Bond_Stereo_Count	0
4362	Non-hydrogen_Atom_Count	9
285	Hydrogen_Bond_Donor_Count	1
70686820	Molecular_Weight	415.6
12206	Hydrogen_Bond_Donor_Count	0
73353577	Exact_Mass	358.0655100
4350	Defined_Bond_Stereo_Count	0
3567233	TPSA	26
59317190	Defined_Atom_Stereo_Count	1
12532405	Defined_Atom_Stereo_Count	0
45484135	Non-hydrogen_Atom_Count	35
140830181	Structure_Complexity	96
68759	Isotope_Atom_Count	0
140066	Rotatable_Bond_Count	1
43594	Isotope_Atom_Count	0
53346581	Covalent_Unit_Count	1
9113	Total_Formal_Charge	0
26041	Undefined_Bond_Stereo_Count	0
5488036	Structure_Complexity	1340
21940	Defined_Bond_Stereo_Count	0
15184917	Hydrogen_Bond_Donor_Count	1
3906961	Isotope_Atom_Count	0
21835032	TPSA	12
819440	Covalent_Unit_Count	1
62092	Total_Formal_Charge	0
400433	Defined_Atom_Stereo_Count	0
92950	Undefined_Bond_Stereo_Count	0
1598	Non-hydrogen_Atom_Count	17
6419807	Exact_Mass	328.1090889
6775	Molecular_Weight	227.00
45784923	Exact_Mass	605.20500239
6431771	Exact_Mass	343.12970781
98889	Defined_Bond_Stereo_Count	0
15808	Structure_Complexity	178
55105	Non-hydrogen_Atom_Count	17
7348	Undefined_Atom_Stereo_Count	0
19736124	Undefined_Atom_Stereo_Count	0
60182	Structure_Complexity	550
17805735	Structure_Complexity	54
10086969	Structure_Complexity	40.8
6431015	Isotope_Atom_Count	0
79656	Undefined_Atom_Stereo_Count	0
9286	Undefined_Atom_Stereo_Count	0
64658	Structure_Complexity	387
13684981	Defined_Atom_Stereo_Count	0
5281055	Mono_Isotopic_Weight	473.12567125
10297043	Tautomer_Count	9
1249	Defined_Bond_Stereo_Count	0
4234	Isotope_Atom_Count	0
14770	Hydrogen_Bond_Acceptor_Count	0
14148804	Mono_Isotopic_Weight	80.062600255
3926	Mono_Isotopic_Weight	491.27481907
123803633	Molecular_Weight	342.30
20097868	Structure_Complexity	98.2
134694664	Defined_Atom_Stereo_Count	4
16052011	Non-hydrogen_Atom_Count	95
131801109	Exact_Mass	802.26322735
2724896	Non-hydrogen_Atom_Count	6
48838	Hydrogen_Bond_Donor_Count	1
5282181	Hydrogen_Bond_Donor_Count	2
397053	Rotatable_Bond_Count	4
446934	Defined_Atom_Stereo_Count	8
23190	Defined_Atom_Stereo_Count	4
63786	Tautomer_Count	5
68258	Mono_Isotopic_Weight	148.088815002
402827	Structure_Complexity	932
787717	TPSA	79.4
135512673	Covalent_Unit_Count	1
17616	Molecular_Weight	168.23
9934458	Hydrogen_Bond_Donor_Count	1
232443	Structure_Complexity	355
6411	Tautomer_Count	1
25015677	Rotatable_Bond_Count	6
117938207	Undefined_Bond_Stereo_Count	0
7017228	XLogP3-AA	0.9
14020446	Exact_Mass	114.068079557
951315	Isotope_Atom_Count	0
224053	Molecular_Weight	224.30
5280879	Covalent_Unit_Count	1
64655	Structure_Complexity	36.8
441207	Hydrogen_Bond_Acceptor_Count	13
70690618	TPSA	79.9
4075158	Structure_Complexity	149
13878035	Molecular_Weight	384.5
93563	Tautomer_Count	1
23087721	Hydrogen_Bond_Donor_Count	1
71675	Mono_Isotopic_Weight	259.1127773
29921593	Undefined_Atom_Stereo_Count	0
104741	Rotatable_Bond_Count	14
9835868	Undefined_Atom_Stereo_Count	0
609	Total_Formal_Charge	0
82400	Defined_Atom_Stereo_Count	5
85960305	Rotatable_Bond_Count	1
15211200	Undefined_Bond_Stereo_Count	0
81183	Non-hydrogen_Atom_Count	15
45270510	Total_Formal_Charge	0
11516136	TPSA	64.6
5326161	Undefined_Bond_Stereo_Count	0
90078292	Defined_Atom_Stereo_Count	0
44246529	Hydrogen_Bond_Donor_Count	2
7777	Isotope_Atom_Count	0
134664	Non-hydrogen_Atom_Count	11
44237360	Undefined_Bond_Stereo_Count	0
16167454	Molecular_Weight	2099.5
53401856	Mono_Isotopic_Weight	87.068413911
44458746	Isotope_Atom_Count	0
57191557	Undefined_Bond_Stereo_Count	0
102093221	Hydrogen_Bond_Donor_Count	3
46187519	XLogP3-AA	4.6
2914	Structure_Complexity	903
60753	Hydrogen_Bond_Donor_Count	2
444913	Total_Formal_Charge	0
10303	Covalent_Unit_Count	1
2795878	Structure_Complexity	94.4
7022	Undefined_Bond_Stereo_Count	0
1241420	Exact_Mass	173.10519334
139756	Exact_Mass	125.120449483
77287	Hydrogen_Bond_Acceptor_Count	1
24846	Mono_Isotopic_Weight	164.01030715
24916942	Hydrogen_Bond_Acceptor_Count	8
104967	Hydrogen_Bond_Acceptor_Count	0
5289382	Defined_Atom_Stereo_Count	8
12735590	Exact_Mass	110.036779430
2775	Exact_Mass	206.05790880
58870	Hydrogen_Bond_Donor_Count	2
13574952	Rotatable_Bond_Count	1
3082042	Tautomer_Count	256
30020	Hydrogen_Bond_Donor_Count	1
25202562	Molecular_Weight	356.75
8986	Molecular_Weight	329.81
72332	Exact_Mass	545.26248182
41556	Rotatable_Bond_Count	2
26731	Defined_Atom_Stereo_Count	0
3628	Tautomer_Count	1
517055	Hydrogen_Bond_Acceptor_Count	2
92763	Non-hydrogen_Atom_Count	39
4373	Mono_Isotopic_Weight	502.2194272
84647649	Undefined_Atom_Stereo_Count	1
93032	Undefined_Bond_Stereo_Count	0
23072212	Covalent_Unit_Count	1
15104	Exact_Mass	335.91275
72506564	Exact_Mass	93.021463719
114523	Tautomer_Count	1
66561	Covalent_Unit_Count	1
3544	Structure_Complexity	339
6918305	TPSA	37.3
9547890	Total_Formal_Charge	0
5282200	Undefined_Atom_Stereo_Count	0
21491139	Molecular_Weight	85.06
13464501	Isotope_Atom_Count	0
9794	Hydrogen_Bond_Donor_Count	0
535504	XLogP3-AA	0.2
18781684	Undefined_Bond_Stereo_Count	0
95837	Undefined_Atom_Stereo_Count	0
34	Defined_Bond_Stereo_Count	0
6074	Defined_Bond_Stereo_Count	0
21466713	Total_Formal_Charge	0
51299	Defined_Atom_Stereo_Count	0
24864463	TPSA	72.8
54338696	Undefined_Bond_Stereo_Count	1
54180751	Undefined_Bond_Stereo_Count	0
15766	Non-hydrogen_Atom_Count	13
60196296	Structure_Complexity	281
1469	Rotatable_Bond_Count	15
49868036	Rotatable_Bond_Count	26
1130	Mono_Isotopic_Weight	265.11230735
5287705	Undefined_Atom_Stereo_Count	0
443997	Rotatable_Bond_Count	4
6378	Undefined_Atom_Stereo_Count	1
135489810	Isotope_Atom_Count	0
134572252	Structure_Complexity	98.6
162014	Defined_Bond_Stereo_Count	0
556492	Defined_Bond_Stereo_Count	0
5702068	Non-hydrogen_Atom_Count	29
23693089	Isotope_Atom_Count	0
6917984	Undefined_Atom_Stereo_Count	0
79828	Rotatable_Bond_Count	3
99327	Mono_Isotopic_Weight	319.08782920
208832	Undefined_Bond_Stereo_Count	0
67513	Tautomer_Count	1
90863152	Defined_Bond_Stereo_Count	0
255	Hydrogen_Bond_Acceptor_Count	8
44407551	Covalent_Unit_Count	1
8265	Exact_Mass	369.810560
63950	Covalent_Unit_Count	1
81509	Isotope_Atom_Count	0
8870	Molecular_Weight	129.59
1641	Hydrogen_Bond_Acceptor_Count	4
171227	Hydrogen_Bond_Acceptor_Count	1
101598717	Rotatable_Bond_Count	6
8509	Undefined_Atom_Stereo_Count	0
54677674	XLogP3-AA	3.5
4244	Rotatable_Bond_Count	9
67615000	Hydrogen_Bond_Donor_Count	5
185554	Molecular_Weight	102.13
77611871	Rotatable_Bond_Count	1
126505488	Mono_Isotopic_Weight	284.16237386
709156	Covalent_Unit_Count	1
6369059	Defined_Atom_Stereo_Count	0
83045	Tautomer_Count	1
36821	Rotatable_Bond_Count	2
10274777	Undefined_Bond_Stereo_Count	0
66683197	Hydrogen_Bond_Donor_Count	1
16272	Defined_Atom_Stereo_Count	0
58024825	Covalent_Unit_Count	1
1040	Hydrogen_Bond_Acceptor_Count	8
24838350	Mono_Isotopic_Weight	1058.31784
87479093	Rotatable_Bond_Count	2
721947	Mono_Isotopic_Weight	332.9838118
156599202	Total_Formal_Charge	0
20782688	Rotatable_Bond_Count	3
159603835	Molecular_Weight	107.11
65955	Mono_Isotopic_Weight	140.058577502
520366	TPSA	0
5363527	Total_Formal_Charge	0
16722832	Structure_Complexity	783
17506	Non-hydrogen_Atom_Count	17
17071	Covalent_Unit_Count	1
39030	Molecular_Weight	233.31
4456484	Exact_Mass	634.11920615
48000	Structure_Complexity	936
133124921	Undefined_Bond_Stereo_Count	0
8425	Undefined_Bond_Stereo_Count	0
68987	Tautomer_Count	1
75579	Isotope_Atom_Count	0
5364714	Tautomer_Count	1
24848321	Total_Formal_Charge	1
10472	Undefined_Bond_Stereo_Count	0
86233820	Rotatable_Bond_Count	1
4183883	Defined_Atom_Stereo_Count	0
90730816	Defined_Atom_Stereo_Count	0
18387331	Mono_Isotopic_Weight	99.104799419
163613625	Molecular_Weight	95.10
45791180	Molecular_Weight	97.16
71429293	Hydrogen_Bond_Donor_Count	1
38033	Undefined_Bond_Stereo_Count	0
9843089	Tautomer_Count	1
77064	Hydrogen_Bond_Acceptor_Count	2
6966	Mono_Isotopic_Weight	217.98513778
75947	Isotope_Atom_Count	0
2486	Defined_Atom_Stereo_Count	0
5281232	Hydrogen_Bond_Donor_Count	2
53238011	Defined_Bond_Stereo_Count	0
19836588	Exact_Mass	94.041864811
6919003	Defined_Atom_Stereo_Count	0
58357553	Isotope_Atom_Count	0
5464253	Hydrogen_Bond_Donor_Count	3
441406	Molecular_Weight	486.4
24848343	Non-hydrogen_Atom_Count	16
160534	Structure_Complexity	86.9
65099	Exact_Mass	510.15393443
5352428	Defined_Bond_Stereo_Count	1
659009	Defined_Atom_Stereo_Count	0
12431621	Molecular_Weight	84.12
226108	Mono_Isotopic_Weight	116.058577502
16073660	Hydrogen_Bond_Donor_Count	0
12546498	Hydrogen_Bond_Donor_Count	0
347590	TPSA	63.7
104865206	Hydrogen_Bond_Acceptor_Count	3
9878679	Exact_Mass	275.07284784
104522	Undefined_Atom_Stereo_Count	0
136231689	TPSA	67.6
11698194	Hydrogen_Bond_Donor_Count	2
2772687	TPSA	34.9
23679691	Hydrogen_Bond_Donor_Count	0
57392503	Undefined_Bond_Stereo_Count	0
20648808	Exact_Mass	97.052763847
144813235	Structure_Complexity	139
184900	Exact_Mass	212.06847348
696	Exact_Mass	216.00350424
427860	Undefined_Bond_Stereo_Count	0
23664617	Isotope_Atom_Count	0
75240	Undefined_Atom_Stereo_Count	0
71743842	Rotatable_Bond_Count	0
44251425	Defined_Atom_Stereo_Count	1
442941	Tautomer_Count	6
13349554	Structure_Complexity	107
11927	Total_Formal_Charge	0
70697627	Undefined_Atom_Stereo_Count	0
12807	Isotope_Atom_Count	0
142901	Hydrogen_Bond_Donor_Count	0
14643618	Structure_Complexity	91.1
70695616	TPSA	3080
6258	Total_Formal_Charge	0
5364448	Defined_Atom_Stereo_Count	0
9821569	Rotatable_Bond_Count	7
89484493	Defined_Atom_Stereo_Count	0
21998683	XLogP3-AA	0.7
23558	Undefined_Bond_Stereo_Count	0
22463839	Hydrogen_Bond_Donor_Count	0
15744	Undefined_Atom_Stereo_Count	0
73957	Covalent_Unit_Count	2
135564847	Rotatable_Bond_Count	24
2826713	XLogP3-AA	16
2724	Covalent_Unit_Count	1
51	Rotatable_Bond_Count	4
91749	Non-hydrogen_Atom_Count	15
14830377	Exact_Mass	87.032028402
101692378	Covalent_Unit_Count	1
124870720	Molecular_Weight	875.1
55285315	Molecular_Weight	125.13
138115739	Mono_Isotopic_Weight	604.31700806
2455	Hydrogen_Bond_Donor_Count	1
12202794	Molecular_Weight	115.13
163779583	XLogP3-AA	1.7
47608	Non-hydrogen_Atom_Count	20
57459334	Structure_Complexity	48.1
160817	Hydrogen_Bond_Donor_Count	1
3467	Total_Formal_Charge	0
57265913	Undefined_Bond_Stereo_Count	0
99516	Exact_Mass	416.32904526
126624267	Defined_Bond_Stereo_Count	0
23034	Undefined_Bond_Stereo_Count	0
772	Defined_Atom_Stereo_Count	0
3856	Defined_Atom_Stereo_Count	0
139064747	Hydrogen_Bond_Acceptor_Count	4
22386229	Isotope_Atom_Count	0
7121	Defined_Bond_Stereo_Count	0
78759347	Rotatable_Bond_Count	8
21950	Undefined_Atom_Stereo_Count	0
165906266	Molecular_Weight	98.15
46861539	Molecular_Weight	516.9
6793	Hydrogen_Bond_Donor_Count	2
9827529	Defined_Atom_Stereo_Count	0
7883	Hydrogen_Bond_Acceptor_Count	2
18377249	Molecular_Weight	111.14
151114	Exact_Mass	567.16867888
10866248	Molecular_Weight	18.055
21984	Defined_Bond_Stereo_Count	0
443979	Isotope_Atom_Count	0
3086172	TPSA	59.3
36821	Molecular_Weight	250.03
23165197	Non-hydrogen_Atom_Count	8
193989	Rotatable_Bond_Count	6
452254	Rotatable_Bond_Count	3
554363	Hydrogen_Bond_Acceptor_Count	3
82766	Exact_Mass	114.068079557
65706	XLogP3-AA	1.3
77763	TPSA	20.2
13095	Hydrogen_Bond_Donor_Count	2
91465	Rotatable_Bond_Count	5
136498	XLogP3-AA	2
115367	TPSA	85
17833	Tautomer_Count	1
68530	Hydrogen_Bond_Acceptor_Count	2
641625	Isotope_Atom_Count	0
851033	XLogP3-AA	2.8
166089069	Undefined_Atom_Stereo_Count	2
72200166	Undefined_Atom_Stereo_Count	0
13002936	Non-hydrogen_Atom_Count	7
9548714	Mono_Isotopic_Weight	414.422551722
4727	Isotope_Atom_Count	0
48496	Isotope_Atom_Count	0
2723706	XLogP3-AA	1.2
556492	TPSA	20.2
12285862	Molecular_Weight	180.16
67543	Covalent_Unit_Count	1
96395	Exact_Mass	193.085126602
69236	Exact_Mass	117.078978594
123839315	XLogP3-AA	1.3
20136205	Exact_Mass	118.099379685
11743862	Undefined_Bond_Stereo_Count	0
209	Exact_Mass	1032.38702617
345	Exact_Mass	188.03208797
71416538	Hydrogen_Bond_Acceptor_Count	2
23248	Molecular_Weight	222.28
91667979	Non-hydrogen_Atom_Count	21
10197625	Exact_Mass	89.084063974
10041	Hydrogen_Bond_Acceptor_Count	0
23673835	Total_Formal_Charge	0
6604009	Exact_Mass	380.188863393
135446965	Non-hydrogen_Atom_Count	33
529	Defined_Atom_Stereo_Count	0
69321	TPSA	45.8
192988	Defined_Bond_Stereo_Count	0
62258	Isotope_Atom_Count	0
60196324	Exact_Mass	378.1532624
6253	TPSA	129
126843096	XLogP3-AA	1
12519677	Undefined_Bond_Stereo_Count	0
12508258	Covalent_Unit_Count	1
2734241	TPSA	8.8
1485	Undefined_Atom_Stereo_Count	0
158627	Undefined_Atom_Stereo_Count	0
23642301	Undefined_Atom_Stereo_Count	0
31336	Defined_Atom_Stereo_Count	1
15561101	Isotope_Atom_Count	0
1018	Hydrogen_Bond_Donor_Count	1
696858	Total_Formal_Charge	0
38014	Hydrogen_Bond_Donor_Count	0
24937	Exact_Mass	266.96225
44228720	Undefined_Bond_Stereo_Count	0
494937	Hydrogen_Bond_Donor_Count	5
5281075	Hydrogen_Bond_Acceptor_Count	5
4636	Structure_Complexity	345
946372	Non-hydrogen_Atom_Count	26
4127	Total_Formal_Charge	0
140560	XLogP3-AA	0.5
76035516	Exact_Mass	409.215412493
65546	XLogP3	1.6
70425	TPSA	44.8
117736505	Molecular_Weight	106.12
12303048	Isotope_Atom_Count	0
85805628	Exact_Mass	96.057514874
56659	Rotatable_Bond_Count	3
138108	Non-hydrogen_Atom_Count	11
70414	Total_Formal_Charge	0
25144319	Hydrogen_Bond_Acceptor_Count	10
129752646	XLogP3-AA	1.9
442941	Molecular_Weight	406.5
4484	Undefined_Atom_Stereo_Count	4
16219385	Covalent_Unit_Count	2
65427	Isotope_Atom_Count	0
5281706	Undefined_Atom_Stereo_Count	0
8471	Molecular_Weight	101.19
23405789	Exact_Mass	480.1775624
14475	Isotope_Atom_Count	0
12152	Structure_Complexity	132
6263	Rotatable_Bond_Count	2
11300765	Rotatable_Bond_Count	0
9889168	Covalent_Unit_Count	2
23662369	Rotatable_Bond_Count	5
92187	Mono_Isotopic_Weight	105.042593085
71356	Hydrogen_Bond_Acceptor_Count	4
91511	Tautomer_Count	1
9776	Non-hydrogen_Atom_Count	12
10777574	Exact_Mass	258.05581460
10148984	Non-hydrogen_Atom_Count	5
11672764	Hydrogen_Bond_Acceptor_Count	6
11829373	Mono_Isotopic_Weight	97.089149355
17835	Exact_Mass	156.187800766
71397	Undefined_Bond_Stereo_Count	0
14520	Covalent_Unit_Count	1
14294904	Rotatable_Bond_Count	3
7267	XLogP3	2.3
96430	Undefined_Atom_Stereo_Count	0
89053237	Undefined_Bond_Stereo_Count	0
387	Defined_Bond_Stereo_Count	0
64929	Covalent_Unit_Count	1
442461	XLogP3-AA	2.8
13912815	Exact_Mass	328.13107373
45874	Undefined_Atom_Stereo_Count	1
15496999	Molecular_Weight	97.12
5458769	XLogP3-AA	4
7405	Defined_Atom_Stereo_Count	1
53701126	Molecular_Weight	109.17
87712	Total_Formal_Charge	0
124433112	Covalent_Unit_Count	1
6358	Hydrogen_Bond_Acceptor_Count	0
64033	Molecular_Weight	260.29
140147	Molecular_Weight	96.13
577022	Structure_Complexity	105
22164	Molecular_Weight	208.26
54586718	Isotope_Atom_Count	0
46916401	Rotatable_Bond_Count	4
163838	Exact_Mass	713.2632801
298082	Hydrogen_Bond_Acceptor_Count	2
68027	Isotope_Atom_Count	0
12202794	Undefined_Bond_Stereo_Count	0
41679	Hydrogen_Bond_Donor_Count	0
97469	Structure_Complexity	159
14660779	Isotope_Atom_Count	0
23565353	Total_Formal_Charge	0
54077736	Total_Formal_Charge	0
12646624	TPSA	38
72627	Undefined_Bond_Stereo_Count	0
70848	Molecular_Weight	233.27
5320	Hydrogen_Bond_Donor_Count	2
14919832	Isotope_Atom_Count	0
692	Structure_Complexity	1060
11608582	Covalent_Unit_Count	1
158691271	Exact_Mass	110.059246208
220377	Hydrogen_Bond_Donor_Count	0
5783	TPSA	37.3
8442	Undefined_Bond_Stereo_Count	0
15442	Undefined_Atom_Stereo_Count	0
59107469	Molecular_Weight	113.20
85531465	XLogP3-AA	0.1
70163	Mono_Isotopic_Weight	202.062994177
164631	Defined_Atom_Stereo_Count	1
68783	Exact_Mass	328.20384475
5282175	Mono_Isotopic_Weight	424.31887450
12497562	Mono_Isotopic_Weight	96.057514874
439196	Mono_Isotopic_Weight	154.01222190
99382	Hydrogen_Bond_Acceptor_Count	0
410214	XLogP3-AA	7.3
96269	Tautomer_Count	1
42608178	Defined_Atom_Stereo_Count	1
94830	Molecular_Weight	192.00
11540045	Molecular_Weight	470.0
72589	Isotope_Atom_Count	0
80603	Molecular_Weight	201.69
13520	Mono_Isotopic_Weight	210.0515378
20387228	Non-hydrogen_Atom_Count	8
10214378	TPSA	26.3
3097	Isotope_Atom_Count	0
6917839	Isotope_Atom_Count	0
4110039	Exact_Mass	132.00096561
443239	Covalent_Unit_Count	1
7084	Structure_Complexity	512
11309477	Exact_Mass	98.073164938
1548972	Undefined_Bond_Stereo_Count	0
46853654	Exact_Mass	516.19033720
7976	Mono_Isotopic_Weight	94.053098200
439278	Covalent_Unit_Count	1
10563	Undefined_Atom_Stereo_Count	0
54582799	Non-hydrogen_Atom_Count	19
393800	Undefined_Atom_Stereo_Count	1
69453791	Defined_Bond_Stereo_Count	0
139070837	Undefined_Atom_Stereo_Count	0
91084145	Total_Formal_Charge	0
6430518	Undefined_Bond_Stereo_Count	0
156618073	Rotatable_Bond_Count	4
119033	Rotatable_Bond_Count	4
5270576	Undefined_Bond_Stereo_Count	0
487856	TPSA	43.1
15681692	Total_Formal_Charge	0
138921	Structure_Complexity	107
3415	Hydrogen_Bond_Donor_Count	3
534439	Hydrogen_Bond_Donor_Count	0
102594130	Exact_Mass	4293.8709092
135413554	Mono_Isotopic_Weight	266.0570533
53317194	Defined_Atom_Stereo_Count	0
6917655	Structure_Complexity	879
257501	Covalent_Unit_Count	1
16949	Undefined_Atom_Stereo_Count	6
5282428	Rotatable_Bond_Count	8
25099	Undefined_Bond_Stereo_Count	0
81650	Defined_Atom_Stereo_Count	0
113	Molecular_Weight	214.07
240	Defined_Atom_Stereo_Count	0
17526	Rotatable_Bond_Count	8
2734250	Defined_Bond_Stereo_Count	0
12479058	Rotatable_Bond_Count	0
11680867	Rotatable_Bond_Count	4
4076	Defined_Atom_Stereo_Count	0
94483	Covalent_Unit_Count	1
122608345	Covalent_Unit_Count	1
10113	Isotope_Atom_Count	0
4814	Undefined_Bond_Stereo_Count	0
11829386	Total_Formal_Charge	0
5487068	Undefined_Bond_Stereo_Count	0
133109198	Structure_Complexity	1150
833	Undefined_Bond_Stereo_Count	0
77918	Defined_Bond_Stereo_Count	0
24916807	Exact_Mass	501.98043086
44449087	Total_Formal_Charge	0
406793	Non-hydrogen_Atom_Count	39
53981464	Rotatable_Bond_Count	2
171375	Defined_Bond_Stereo_Count	0
6328684	Mono_Isotopic_Weight	178.09969078
77828	Defined_Atom_Stereo_Count	0
23283113	Hydrogen_Bond_Acceptor_Count	0
151707353	Total_Formal_Charge	0
26956	Total_Formal_Charge	0
45790066	Isotope_Atom_Count	0
458096	Rotatable_Bond_Count	13
7579	Molecular_Weight	200.24
9843028	Isotope_Atom_Count	0
72165228	Total_Formal_Charge	0
76118878	Isotope_Atom_Count	0
13694	Exact_Mass	212.0392780
146156428	Defined_Bond_Stereo_Count	0
102148036	Structure_Complexity	517
54681041	TPSA	206
18462872	Exact_Mass	115.063328530
13195064	Rotatable_Bond_Count	0
887	Defined_Bond_Stereo_Count	0
75921	Structure_Complexity	291
9576814	Exact_Mass	228.183778013
46930997	Defined_Bond_Stereo_Count	2
144416139	Total_Formal_Charge	0
7048569	Undefined_Bond_Stereo_Count	0
135413538	Undefined_Atom_Stereo_Count	0
54419673	Hydrogen_Bond_Donor_Count	1
1093	Structure_Complexity	646
146020028	Defined_Atom_Stereo_Count	0
130150414	Molecular_Weight	118.09
100927764	Structure_Complexity	438
7945	XLogP3-AA	1.7
130055137	XLogP3-AA	0.9
75496	Tautomer_Count	1
10898	Hydrogen_Bond_Acceptor_Count	1
40701	Hydrogen_Bond_Donor_Count	0
11305985	Hydrogen_Bond_Donor_Count	0
6971070	Exact_Mass	179.03443370
71884	Tautomer_Count	48
458645	Rotatable_Bond_Count	14
22833	Undefined_Atom_Stereo_Count	0
60196326	Undefined_Atom_Stereo_Count	0
90657410	Covalent_Unit_Count	1
102014818	Undefined_Bond_Stereo_Count	0
29845	Covalent_Unit_Count	1
94781	Rotatable_Bond_Count	4
2645	Non-hydrogen_Atom_Count	37
21284699	Defined_Atom_Stereo_Count	0
76223934	Rotatable_Bond_Count	1
16366	Rotatable_Bond_Count	0
13807316	Undefined_Atom_Stereo_Count	2
10027816	Rotatable_Bond_Count	8
3086157	Hydrogen_Bond_Donor_Count	1
68416	Exact_Mass	285.99530
77013	Undefined_Atom_Stereo_Count	0
34698	Covalent_Unit_Count	1
11870241	XLogP3-AA	5.6
5992	Undefined_Bond_Stereo_Count	0
54331	Hydrogen_Bond_Acceptor_Count	7
114781	Hydrogen_Bond_Acceptor_Count	2
3711	Hydrogen_Bond_Donor_Count	3
443936	TPSA	107
13487342	TPSA	9.2
25015692	Rotatable_Bond_Count	7
276	Exact_Mass	60.008553307
100707	Exact_Mass	335.897817
13203	Hydrogen_Bond_Donor_Count	0
10004622	Non-hydrogen_Atom_Count	34
283654	Tautomer_Count	3
24233	Undefined_Bond_Stereo_Count	0
6539304	XLogP3-AA	3
129806307	Molecular_Weight	113.11
124844	Covalent_Unit_Count	1
17236	Covalent_Unit_Count	1
133090	Undefined_Atom_Stereo_Count	1
260495	Hydrogen_Bond_Acceptor_Count	2
12441597	Non-hydrogen_Atom_Count	8
9904746	Rotatable_Bond_Count	0
68322184	Isotope_Atom_Count	0
78249	Hydrogen_Bond_Donor_Count	0
447229	Rotatable_Bond_Count	6
5352833	Non-hydrogen_Atom_Count	8
6369388	TPSA	211
21138	Hydrogen_Bond_Acceptor_Count	3
801132	Isotope_Atom_Count	0
15100753	Isotope_Atom_Count	0
529274	Isotope_Atom_Count	0
60078648	Defined_Bond_Stereo_Count	0
80385	Structure_Complexity	70.1
6184	Mono_Isotopic_Weight	100.088815002
133667882	Defined_Bond_Stereo_Count	0
30167	Molecular_Weight	242.36
5365773	Molecular_Weight	254.41
443970	Undefined_Bond_Stereo_Count	0
93843	XLogP3-AA	5
13597077	Non-hydrogen_Atom_Count	8
7038	Hydrogen_Bond_Acceptor_Count	2
16720	Undefined_Bond_Stereo_Count	0
135814155	Undefined_Atom_Stereo_Count	0
152743428	Undefined_Atom_Stereo_Count	0
35020890	TPSA	74.6
24814	Covalent_Unit_Count	1
124222418	Undefined_Atom_Stereo_Count	0
123133978	Defined_Atom_Stereo_Count	8
123706834	Structure_Complexity	56
5311032	Covalent_Unit_Count	1
45266908	Non-hydrogen_Atom_Count	46
92210	Defined_Bond_Stereo_Count	0
54522	Mono_Isotopic_Weight	320.20999276
71435578	Hydrogen_Bond_Donor_Count	0
3047803	Isotope_Atom_Count	0
82058	Total_Formal_Charge	0
11701673	Mono_Isotopic_Weight	263.956853
6914657	Hydrogen_Bond_Acceptor_Count	3
89310012	TPSA	23.8
62774675	Molecular_Weight	116.16
61453	Tautomer_Count	1
24759	Rotatable_Bond_Count	12
5282411	TPSA	87
46228144	Hydrogen_Bond_Donor_Count	1
24115	Exact_Mass	114.068079557
425400	Isotope_Atom_Count	0
224242	Mono_Isotopic_Weight	100.088815002
68526	Defined_Bond_Stereo_Count	0
64648	Tautomer_Count	1
60336	Non-hydrogen_Atom_Count	20
2468	Mono_Isotopic_Weight	157.13274550
3531736	Hydrogen_Bond_Donor_Count	3
5323984	Defined_Atom_Stereo_Count	0
4523333	Molecular_Weight	151.14
102470202	Mono_Isotopic_Weight	608.19524968
20568258	Total_Formal_Charge	0
23677960	Total_Formal_Charge	0
7336	Total_Formal_Charge	0
11389356	Undefined_Bond_Stereo_Count	0
71391	Undefined_Bond_Stereo_Count	0
14444485	Undefined_Atom_Stereo_Count	1
4580	Hydrogen_Bond_Donor_Count	3
78032	Hydrogen_Bond_Acceptor_Count	7
14074	Exact_Mass	87.068413911
44224133	Hydrogen_Bond_Acceptor_Count	4
70837736	Isotope_Atom_Count	0
4873	Structure_Complexity	2
6474109	Hydrogen_Bond_Acceptor_Count	21
32169	TPSA	95.7
47326	Mono_Isotopic_Weight	349.16779360
252281	Total_Formal_Charge	0
135391180	Undefined_Atom_Stereo_Count	0
19385	Molecular_Weight	209.23
139057938	Defined_Atom_Stereo_Count	0
7536516	Mono_Isotopic_Weight	161.095297364
62253	Hydrogen_Bond_Donor_Count	0
5371246	Covalent_Unit_Count	1
59277839	Rotatable_Bond_Count	1
768	Total_Formal_Charge	0
68745	Total_Formal_Charge	0
1006	Covalent_Unit_Count	1
122224053	Hydrogen_Bond_Acceptor_Count	2
9912381	Molecular_Weight	466.6
68624	Hydrogen_Bond_Acceptor_Count	8
10061	Hydrogen_Bond_Acceptor_Count	4
59336	Exact_Mass	366.19434270
14501	Mono_Isotopic_Weight	163.98368
5279171	Defined_Bond_Stereo_Count	0
134694743	Defined_Bond_Stereo_Count	0
61899	Tautomer_Count	1
10953	Covalent_Unit_Count	1
10800	Molecular_Weight	198.13
2865	Hydrogen_Bond_Acceptor_Count	8
61661	Covalent_Unit_Count	1
23021453	TPSA	67.9
57149850	Total_Formal_Charge	0
90471707	Undefined_Atom_Stereo_Count	1
4302960	Hydrogen_Bond_Acceptor_Count	5
11170931	Mono_Isotopic_Weight	106.062994177
62274	Defined_Bond_Stereo_Count	0
34875	Rotatable_Bond_Count	6
54305717	Rotatable_Bond_Count	2
317681	Undefined_Atom_Stereo_Count	0
136951315	Hydrogen_Bond_Donor_Count	1
7670	Total_Formal_Charge	0
5284592	TPSA	46.5
20559620	Isotope_Atom_Count	0
53317503	Mono_Isotopic_Weight	424.0859706
154202106	TPSA	62.7
7875	Tautomer_Count	1
968081	Isotope_Atom_Count	0
651290	Rotatable_Bond_Count	5
8187	Defined_Bond_Stereo_Count	0
102592515	Hydrogen_Bond_Acceptor_Count	2
13574952	Mono_Isotopic_Weight	118.062994177
10568280	XLogP3-AA	2
225936	TPSA	40.5
68928	Rotatable_Bond_Count	6
82658	Undefined_Atom_Stereo_Count	1
71309927	Undefined_Bond_Stereo_Count	0
11027	Total_Formal_Charge	0
122670	Molecular_Weight	159.19
17381	Hydrogen_Bond_Donor_Count	0
70696694	Mono_Isotopic_Weight	380.13069707
6154	Non-hydrogen_Atom_Count	27
7811	Covalent_Unit_Count	1
46437	Defined_Bond_Stereo_Count	0
138564	Undefined_Bond_Stereo_Count	0
690958	Structure_Complexity	197
10181898	Isotope_Atom_Count	0
5467	Exact_Mass	328.14567842
7156	XLogP3	1.7
9957217	Covalent_Unit_Count	1
3034255	Defined_Bond_Stereo_Count	0
7265	Hydrogen_Bond_Acceptor_Count	2
98174	Total_Formal_Charge	0
123156	Total_Formal_Charge	0
146156882	Undefined_Bond_Stereo_Count	0
117	Exact_Mass	127.038176411
90487065	Undefined_Atom_Stereo_Count	2
6097621	Defined_Atom_Stereo_Count	1
12309347	Defined_Atom_Stereo_Count	8
98633	Hydrogen_Bond_Acceptor_Count	2
29083	XLogP3-AA	0.2
6333	Tautomer_Count	1
53422654	Rotatable_Bond_Count	16
10701806	Molecular_Weight	114.14
127030	Defined_Bond_Stereo_Count	0
8672	Undefined_Atom_Stereo_Count	0
122415	Molecular_Weight	154.25
13805	Hydrogen_Bond_Acceptor_Count	11
4635	Defined_Atom_Stereo_Count	0
122499	Isotope_Atom_Count	0
4658963	Exact_Mass	112.063662883
19371515	Defined_Atom_Stereo_Count	0
77548	XLogP3	2.6
31277	Rotatable_Bond_Count	4
164075219	Hydrogen_Bond_Donor_Count	0
135402034	Exact_Mass	283.09166853
154183660	Defined_Bond_Stereo_Count	0
15709948	Undefined_Atom_Stereo_Count	0
736	Defined_Atom_Stereo_Count	0
60196361	Hydrogen_Bond_Acceptor_Count	2
3221	Undefined_Atom_Stereo_Count	0
129010290	Undefined_Atom_Stereo_Count	18
19438210	Non-hydrogen_Atom_Count	8
2634	Exact_Mass	544.99158054
8554	Isotope_Atom_Count	0
16134490	Mono_Isotopic_Weight	1457.7262706
4459	Exact_Mass	302.14528450
123630180	TPSA	0
71573986	XLogP3-AA	1.3
77781	Mono_Isotopic_Weight	206.06128010
49808	Undefined_Atom_Stereo_Count	4
9887884	Hydrogen_Bond_Acceptor_Count	5
118855445	Mono_Isotopic_Weight	712.27966526
31265	Defined_Bond_Stereo_Count	0
13794998	Undefined_Bond_Stereo_Count	0
91181590	Mono_Isotopic_Weight	303.14705815
60196309	TPSA	486
66726979	Hydrogen_Bond_Acceptor_Count	8
19782027	Covalent_Unit_Count	1
11240424	Isotope_Atom_Count	0
22906680	Exact_Mass	109.052763847
3058753	Undefined_Atom_Stereo_Count	0
19549	Non-hydrogen_Atom_Count	13
68416	Structure_Complexity	370
54765302	Total_Formal_Charge	0
180621	Exact_Mass	179.131014166
6433083	Tautomer_Count	4
12735	Defined_Bond_Stereo_Count	0
443310	Hydrogen_Bond_Donor_Count	4
5353439	Defined_Atom_Stereo_Count	0
16073662	Undefined_Atom_Stereo_Count	0
53361524	Hydrogen_Bond_Donor_Count	2
7075	Molecular_Weight	186.21
134601	Undefined_Bond_Stereo_Count	0
616201	Isotope_Atom_Count	0
22491625	Defined_Bond_Stereo_Count	0
20342	Isotope_Atom_Count	0
21932619	Undefined_Bond_Stereo_Count	0
2723706	Rotatable_Bond_Count	2
20054887	Structure_Complexity	756
522325	Mono_Isotopic_Weight	333.07592146
725544	Defined_Bond_Stereo_Count	0
71435578	TPSA	34.1
70355	Tautomer_Count	1
3527810	Hydrogen_Bond_Donor_Count	2
89602862	Undefined_Bond_Stereo_Count	0
22593	Undefined_Atom_Stereo_Count	0
9855476	Non-hydrogen_Atom_Count	9
62705689	XLogP3-AA	2.7
6918485	Tautomer_Count	2
18626415	Isotope_Atom_Count	0
135348034	Undefined_Bond_Stereo_Count	0
34572	Undefined_Atom_Stereo_Count	0
660	Defined_Bond_Stereo_Count	0
12273607	Mono_Isotopic_Weight	96.068748264
21264915	Undefined_Bond_Stereo_Count	0
83093	Isotope_Atom_Count	0
13741595	Mono_Isotopic_Weight	113.084063974
44241626	Structure_Complexity	921
801109	Hydrogen_Bond_Donor_Count	0
10245190	XLogP3-AA	4.5
28767	Mono_Isotopic_Weight	307.029747
14812	TPSA	124
18997941	Covalent_Unit_Count	1
156614059	Hydrogen_Bond_Acceptor_Count	5
95170	Structure_Complexity	227
689816	Hydrogen_Bond_Acceptor_Count	3
25195294	Rotatable_Bond_Count	3
53456	TPSA	87.1
49865703	Non-hydrogen_Atom_Count	31
89144	Exact_Mass	240.151415257
93320	Covalent_Unit_Count	1
70729	Defined_Atom_Stereo_Count	0
10857465	Hydrogen_Bond_Acceptor_Count	1
12685	Undefined_Atom_Stereo_Count	0
12242815	Non-hydrogen_Atom_Count	11
9531	Covalent_Unit_Count	1
129849	Structure_Complexity	730
67322	Hydrogen_Bond_Acceptor_Count	6
4186	XLogP3-AA	8.6
44208849	Isotope_Atom_Count	0
3036154	Isotope_Atom_Count	0
21809327	Non-hydrogen_Atom_Count	8
3083671	Non-hydrogen_Atom_Count	19
13147550	Structure_Complexity	105
54516038	Exact_Mass	117.078978594
14282	Hydrogen_Bond_Acceptor_Count	2
164513759	Hydrogen_Bond_Acceptor_Count	3
160	Hydrogen_Bond_Donor_Count	4
12540922	Total_Formal_Charge	0
6004	Defined_Atom_Stereo_Count	0
86601564	Defined_Bond_Stereo_Count	0
52940942	Exact_Mass	417.13002593
1162	Structure_Complexity	1280
9235	Tautomer_Count	1
9888897	Total_Formal_Charge	0
102601816	Exact_Mass	182.06763309
10441670	Total_Formal_Charge	0
10880751	Hydrogen_Bond_Acceptor_Count	5
245627	Isotope_Atom_Count	0
169607	Tautomer_Count	2
5311070	Mono_Isotopic_Weight	267.125928785
55509	Defined_Atom_Stereo_Count	0
2842	Defined_Bond_Stereo_Count	0
14344952	Molecular_Weight	112.13
21595393	Exact_Mass	337.227988553
2724640	Undefined_Atom_Stereo_Count	0
261824	Isotope_Atom_Count	0
80618	Non-hydrogen_Atom_Count	12
443958	Molecular_Weight	502.6
71450703	Rotatable_Bond_Count	7
627458	Undefined_Atom_Stereo_Count	0
102318232	Hydrogen_Bond_Donor_Count	1
9853053	Total_Formal_Charge	0
6433892	Total_Formal_Charge	0
15983953	Isotope_Atom_Count	0
15004	Defined_Bond_Stereo_Count	0
15707	Hydrogen_Bond_Acceptor_Count	0
18668047	Mono_Isotopic_Weight	111.068413911
37968	Undefined_Atom_Stereo_Count	0
10466809	Mono_Isotopic_Weight	240.11234441
9961766	Defined_Bond_Stereo_Count	0
7946	Tautomer_Count	1
59904965	Hydrogen_Bond_Acceptor_Count	0
25142043	Isotope_Atom_Count	0
444455	Undefined_Atom_Stereo_Count	0
5301	Hydrogen_Bond_Donor_Count	5
72728690	Exact_Mass	97.052763847
134534190	Exact_Mass	1201.84136802
20943	Mono_Isotopic_Weight	366.07079941
68323	Undefined_Bond_Stereo_Count	0
973938	Defined_Bond_Stereo_Count	0
138477	Defined_Bond_Stereo_Count	0
121494073	Mono_Isotopic_Weight	1762.086466
104163	Hydrogen_Bond_Donor_Count	2
16854	Structure_Complexity	177
23282966	XLogP3-AA	2.6
14434921	Undefined_Atom_Stereo_Count	0
644213	Mono_Isotopic_Weight	276.0301698
465585	Mono_Isotopic_Weight	582.14542089
119047	Undefined_Atom_Stereo_Count	0
23692128	Total_Formal_Charge	0
7531	Hydrogen_Bond_Acceptor_Count	1
3392032	Total_Formal_Charge	0
5284631	Defined_Atom_Stereo_Count	2
60155457	XLogP3-AA	1.8
57401194	TPSA	73.5
25116186	Isotope_Atom_Count	0
156422	Undefined_Bond_Stereo_Count	0
21115436	Hydrogen_Bond_Acceptor_Count	4
3563590	Molecular_Weight	361.4
96458	XLogP3-AA	6
5247	Rotatable_Bond_Count	7
12511	Undefined_Bond_Stereo_Count	0
72614909	Undefined_Atom_Stereo_Count	0
1896971	Exact_Mass	114.042927438
2316	Defined_Atom_Stereo_Count	0
3393	Undefined_Atom_Stereo_Count	0
12221	Exact_Mass	73.9923278
6125	Exact_Mass	133.95919704
7600	Non-hydrogen_Atom_Count	15
10746	Undefined_Atom_Stereo_Count	2
84032542	Exact_Mass	113.047678466
11732117	Total_Formal_Charge	0
665263	Non-hydrogen_Atom_Count	28
71992	Defined_Atom_Stereo_Count	3
23693089	Hydrogen_Bond_Donor_Count	4
42645	Isotope_Atom_Count	0
496	Structure_Complexity	128
6450816	Undefined_Atom_Stereo_Count	0
77323	XLogP3	1.1
9831783	Non-hydrogen_Atom_Count	52
4659570	Total_Formal_Charge	1
22184652	Rotatable_Bond_Count	5
6991966	Undefined_Bond_Stereo_Count	0
7304	Hydrogen_Bond_Donor_Count	0
12428017	Rotatable_Bond_Count	1
23114997	Exact_Mass	100.088815002
6604009	TPSA	42
71978	Undefined_Bond_Stereo_Count	0
1097	Total_Formal_Charge	0
13015879	Structure_Complexity	105
16130957	XLogP3-AA	5.4
64685	Non-hydrogen_Atom_Count	11
45263503	TPSA	64.6
13908	Defined_Bond_Stereo_Count	0
138492	Defined_Atom_Stereo_Count	0
444305	Covalent_Unit_Count	1
25142970	Undefined_Atom_Stereo_Count	0
60877	Defined_Atom_Stereo_Count	2
14502691	Hydrogen_Bond_Acceptor_Count	1
22378	Covalent_Unit_Count	2
44296776	XLogP3-AA	4.3
3452	Total_Formal_Charge	0
107766	TPSA	59
48207	Total_Formal_Charge	0
46244454	Undefined_Atom_Stereo_Count	0
44609168	Hydrogen_Bond_Donor_Count	2
96316	Molecular_Weight	118.17
22645860	Undefined_Atom_Stereo_Count	0
479	Structure_Complexity	284
62820	Exact_Mass	209.9606158
158076	Undefined_Bond_Stereo_Count	0
60853	Tautomer_Count	3
155920671	Defined_Bond_Stereo_Count	0
57558295	Hydrogen_Bond_Acceptor_Count	2
9872438	Defined_Atom_Stereo_Count	0
8375	TPSA	37.3
11671	Isotope_Atom_Count	0
35378	Covalent_Unit_Count	1
23187765	Rotatable_Bond_Count	2
65755	Exact_Mass	440.01436441
382975	Undefined_Atom_Stereo_Count	1
2724103	Isotope_Atom_Count	0
12059918	TPSA	0
9574101	Undefined_Bond_Stereo_Count	0
7159	Non-hydrogen_Atom_Count	14
65468	Structure_Complexity	499
65484	Defined_Atom_Stereo_Count	0
15123308	Defined_Bond_Stereo_Count	0
74615	Defined_Atom_Stereo_Count	0
2273	Molecular_Weight	370.8
448126	Covalent_Unit_Count	1
7984	Covalent_Unit_Count	1
5528	Hydrogen_Bond_Donor_Count	0
14443	Defined_Atom_Stereo_Count	0
20593561	Covalent_Unit_Count	1
11375895	Undefined_Bond_Stereo_Count	0
26721	Undefined_Bond_Stereo_Count	0
21614503	Isotope_Atom_Count	0
131721456	Undefined_Bond_Stereo_Count	0
7454	Defined_Atom_Stereo_Count	0
10423	Mono_Isotopic_Weight	58.041864811
31253	Defined_Atom_Stereo_Count	0
917	Defined_Atom_Stereo_Count	0
180335	Mono_Isotopic_Weight	351.1423633
7048538	Hydrogen_Bond_Acceptor_Count	2
83826166	Defined_Atom_Stereo_Count	0
4329331	Non-hydrogen_Atom_Count	17
139307343	Undefined_Bond_Stereo_Count	0
3344847	Molecular_Weight	429.4
52361	Isotope_Atom_Count	0
141233	Hydrogen_Bond_Acceptor_Count	0
261166	XLogP3-AA	3.8
162918375	Defined_Bond_Stereo_Count	1
3081361	Exact_Mass	474.10667
132941102	Defined_Atom_Stereo_Count	15
445785	Structure_Complexity	953
9889168	Hydrogen_Bond_Donor_Count	0
23712863	Rotatable_Bond_Count	0
13587	TPSA	13.1
17016	Undefined_Bond_Stereo_Count	0
46936966	Undefined_Atom_Stereo_Count	0
439302	Molecular_Weight	1007.2
13808253	Covalent_Unit_Count	1
53708	Undefined_Atom_Stereo_Count	0
12304612	Defined_Atom_Stereo_Count	3
72276	Covalent_Unit_Count	1
5326566	Hydrogen_Bond_Acceptor_Count	4
98771	Isotope_Atom_Count	0
449343	Hydrogen_Bond_Donor_Count	5
90005	Exact_Mass	179.094628657
359784	Non-hydrogen_Atom_Count	13
444020	Defined_Bond_Stereo_Count	0
13792372	Mono_Isotopic_Weight	102.068079557
15982533	Hydrogen_Bond_Acceptor_Count	8
19784166	Molecular_Weight	98.06
137942834	Rotatable_Bond_Count	1
777	Covalent_Unit_Count	1
23335962	Defined_Bond_Stereo_Count	0
21303152	Covalent_Unit_Count	1
70447	Undefined_Atom_Stereo_Count	0
3330	Defined_Atom_Stereo_Count	0
5360237	TPSA	293
18376592	Hydrogen_Bond_Donor_Count	2
7693	Isotope_Atom_Count	0
91753565	Mono_Isotopic_Weight	204.187800766
129800133	Defined_Bond_Stereo_Count	0
59232326	Isotope_Atom_Count	0
758641	Defined_Bond_Stereo_Count	0
323188	Mono_Isotopic_Weight	100.063662883
87454072	Mono_Isotopic_Weight	100.027277375
60196404	Exact_Mass	636.240074
16139342	Structure_Complexity	11800
6708461	Structure_Complexity	1370
10664930	TPSA	70
69498345	Exact_Mass	99.104799419
32719	Tautomer_Count	1
9375	Hydrogen_Bond_Donor_Count	2
121409291	Undefined_Bond_Stereo_Count	0
36283	Hydrogen_Bond_Acceptor_Count	4
12462026	XLogP3-AA	1.3
5464167	Structure_Complexity	27.1
58860	Isotope_Atom_Count	0
36511	Molecular_Weight	1347.6
4026	Tautomer_Count	1
42095	Hydrogen_Bond_Donor_Count	0
14717865	TPSA	17.8
7801	Mono_Isotopic_Weight	218.05790880
31862	Hydrogen_Bond_Acceptor_Count	1
6918562	Exact_Mass	993.63350051
42762	Defined_Bond_Stereo_Count	0
4528	Non-hydrogen_Atom_Count	18
12367598	Defined_Atom_Stereo_Count	0
44412	Undefined_Atom_Stereo_Count	0
46856306	Rotatable_Bond_Count	4
57340110	Defined_Atom_Stereo_Count	0
85812	Total_Formal_Charge	0
124224929	Defined_Bond_Stereo_Count	2
97535	Defined_Bond_Stereo_Count	0
72048	Tautomer_Count	1
31216	Total_Formal_Charge	0
285097	Molecular_Weight	184.27
4277439	Undefined_Bond_Stereo_Count	0
14388559	Structure_Complexity	77.7
10987215	Molecular_Weight	198.05
8763	Tautomer_Count	1
147895	Undefined_Bond_Stereo_Count	0
65718	Undefined_Bond_Stereo_Count	0
5862	Non-hydrogen_Atom_Count	7
2063	Exact_Mass	184.063662883
836002	Exact_Mass	232.0403406
88784945	Covalent_Unit_Count	1
1268252	Molecular_Weight	184.2
14010989	Rotatable_Bond_Count	10
76949	Hydrogen_Bond_Donor_Count	0
3153	TPSA	66.5
3386966	Defined_Bond_Stereo_Count	0
57224326	Structure_Complexity	70.8
317678	Non-hydrogen_Atom_Count	7
316780	Covalent_Unit_Count	1
292925	Defined_Atom_Stereo_Count	0
129983923	TPSA	12.5
9930048	Defined_Atom_Stereo_Count	3
12183049	Exact_Mass	108.093900383
14683451	Mono_Isotopic_Weight	100.063662883
135516356	Isotope_Atom_Count	0
34296	Hydrogen_Bond_Acceptor_Count	1
13176	Structure_Complexity	138
6918126	Hydrogen_Bond_Acceptor_Count	12
328	Undefined_Atom_Stereo_Count	1
10369242	Molecular_Weight	515.5
2723598	Hydrogen_Bond_Acceptor_Count	3
57395184	Mono_Isotopic_Weight	671.2021192
572565	Undefined_Bond_Stereo_Count	0
42302	Molecular_Weight	291.17
60196393	Defined_Bond_Stereo_Count	0
1548885	TPSA	73.6
2581	Tautomer_Count	1
114359	Isotope_Atom_Count	0
29681	Undefined_Bond_Stereo_Count	0
30771	Total_Formal_Charge	0
13624278	Hydrogen_Bond_Acceptor_Count	3
69262871	Covalent_Unit_Count	1
76373	Defined_Atom_Stereo_Count	0
134687037	Covalent_Unit_Count	2
76035516	Undefined_Atom_Stereo_Count	1
11651197	Hydrogen_Bond_Acceptor_Count	4
133083079	Undefined_Atom_Stereo_Count	0
53307432	Total_Formal_Charge	0
61207	Isotope_Atom_Count	0
55252478	Non-hydrogen_Atom_Count	7
6971098	Structure_Complexity	151
163285106	XLogP3-AA	6.8
124009720	XLogP3-AA	0.2
10833	Total_Formal_Charge	0
91490	Structure_Complexity	201
2328	Covalent_Unit_Count	1
6568	Tautomer_Count	1
88287569	Mono_Isotopic_Weight	112.088815002
24961094	Undefined_Atom_Stereo_Count	0
521807	Non-hydrogen_Atom_Count	7
134687034	Exact_Mass	620.07775251
23690206	Undefined_Bond_Stereo_Count	0
134032	Total_Formal_Charge	0
135618150	Mono_Isotopic_Weight	671.09895179
11140	Structure_Complexity	143
71316600	XLogP3-AA	7.7
9826358	Exact_Mass	478.20029610
11686295	Isotope_Atom_Count	0
1248527	Covalent_Unit_Count	1
41206	Defined_Bond_Stereo_Count	0
71007	Tautomer_Count	1
709170	Structure_Complexity	474
158334	Undefined_Bond_Stereo_Count	2
10317	Exact_Mass	212.106196400
6858240	Tautomer_Count	6
76661607	Defined_Bond_Stereo_Count	0
12051	Undefined_Bond_Stereo_Count	0
87365092	Rotatable_Bond_Count	3
17945002	Undefined_Bond_Stereo_Count	0
12130	Hydrogen_Bond_Donor_Count	0
20145495	Defined_Atom_Stereo_Count	0
62661	Tautomer_Count	1
427842	Defined_Bond_Stereo_Count	0
157672	Undefined_Atom_Stereo_Count	0
69060	Undefined_Bond_Stereo_Count	0
91554777	Covalent_Unit_Count	1
152743492	Isotope_Atom_Count	0
8749	XLogP3	1.8
11661758	Non-hydrogen_Atom_Count	27
451239	Hydrogen_Bond_Donor_Count	0
73742	Defined_Atom_Stereo_Count	0
709156	Hydrogen_Bond_Donor_Count	0
26229	Mono_Isotopic_Weight	186.0083718
630832	Defined_Bond_Stereo_Count	0
102506015	Undefined_Bond_Stereo_Count	0
11725	Covalent_Unit_Count	1
3032325	Undefined_Atom_Stereo_Count	0
5410	Exact_Mass	344.23514488
2724951	Mono_Isotopic_Weight	112.027277375
5918	Molecular_Weight	109.13
71359064	Defined_Bond_Stereo_Count	0
14270	Total_Formal_Charge	0
52944532	Undefined_Bond_Stereo_Count	0
23662871	Mono_Isotopic_Weight	492.01742078
146356470	Total_Formal_Charge	0
94355	XLogP3-AA	0.6
21932619	Mono_Isotopic_Weight	277.04675223
10942338	XLogP3-AA	0.3
8264	Mono_Isotopic_Weight	154.06712817
88533	Defined_Atom_Stereo_Count	0
535504	Defined_Atom_Stereo_Count	0
23376967	Hydrogen_Bond_Donor_Count	4
22082547	Rotatable_Bond_Count	3
2762906	Covalent_Unit_Count	1
2732	Structure_Complexity	564
3400822	Covalent_Unit_Count	1
12347357	TPSA	37.3
78739	Defined_Atom_Stereo_Count	0
71081	Structure_Complexity	60.5
8881	Rotatable_Bond_Count	2
65127	Rotatable_Bond_Count	3
20750	Exact_Mass	81.057849228
44408641	Undefined_Atom_Stereo_Count	0
22481615	Isotope_Atom_Count	0
62240	Hydrogen_Bond_Acceptor_Count	2
441383	Tautomer_Count	1
19094	Defined_Atom_Stereo_Count	0
11358924	Hydrogen_Bond_Acceptor_Count	5
136477	Total_Formal_Charge	0
3031	Undefined_Atom_Stereo_Count	0
93843	Covalent_Unit_Count	1
84693	XLogP3-AA	1.6
96098	Defined_Atom_Stereo_Count	0
15702065	Exact_Mass	114.068079557
21715587	Exact_Mass	110.048012819
5326976	Hydrogen_Bond_Donor_Count	1
18755630	XLogP3-AA	1.1
70700401	Covalent_Unit_Count	1
151419	Covalent_Unit_Count	1
81457	XLogP3-AA	0.8
17533	Covalent_Unit_Count	1
121957	Hydrogen_Bond_Donor_Count	0
5280343	Undefined_Atom_Stereo_Count	0
81056	Hydrogen_Bond_Donor_Count	1
49869877	Hydrogen_Bond_Donor_Count	2
1394	Defined_Bond_Stereo_Count	0
7665	XLogP3-AA	2.8
4042	Hydrogen_Bond_Donor_Count	0
134688044	Hydrogen_Bond_Acceptor_Count	3
10964444	Hydrogen_Bond_Donor_Count	1
124894599	Defined_Atom_Stereo_Count	14
62479	XLogP3-AA	1
68196	Defined_Atom_Stereo_Count	0
131633366	Covalent_Unit_Count	1
22311	Hydrogen_Bond_Donor_Count	0
53706529	Hydrogen_Bond_Acceptor_Count	3
4019	Rotatable_Bond_Count	5
23741	Exact_Mass	240.245315640
17935228	Structure_Complexity	80.1
13187	Rotatable_Bond_Count	6
69885	Hydrogen_Bond_Donor_Count	0
13245709	Exact_Mass	112.088815002
125027416	Undefined_Atom_Stereo_Count	0
4929	Exact_Mass	241.13611680
23204	Total_Formal_Charge	0
598	Covalent_Unit_Count	1
37927	Tautomer_Count	1
3158	Isotope_Atom_Count	0
61719	Rotatable_Bond_Count	4
60196433	TPSA	274
951315	Rotatable_Bond_Count	5
101015849	Exact_Mass	182.07009777
2853	Mono_Isotopic_Weight	515.27438392
129629038	Undefined_Atom_Stereo_Count	1
137076	Molecular_Weight	109.17
2318546	Molecular_Weight	334.4
44983	Structure_Complexity	85.9
4712993	Defined_Atom_Stereo_Count	0
71822	Undefined_Atom_Stereo_Count	1
86749	Hydrogen_Bond_Donor_Count	1
54291205	Non-hydrogen_Atom_Count	7
24800211	Non-hydrogen_Atom_Count	25
194519	Mono_Isotopic_Weight	304.02175079
92140	Exact_Mass	656.30574361
5463781	Structure_Complexity	512
11527661	Defined_Atom_Stereo_Count	1
9855548	Defined_Atom_Stereo_Count	0
11865459	XLogP3	2.9
12314510	Undefined_Bond_Stereo_Count	0
130037140	Covalent_Unit_Count	1
6940	Undefined_Atom_Stereo_Count	0
6490	XLogP3-AA	3.1
69132	Tautomer_Count	1
13316167	Hydrogen_Bond_Donor_Count	0
4651115	Undefined_Atom_Stereo_Count	0
131704328	Covalent_Unit_Count	1
3000735	TPSA	69.4
40466884	Isotope_Atom_Count	0
10330532	Hydrogen_Bond_Donor_Count	1
160440	Covalent_Unit_Count	1
72098	Tautomer_Count	1
70690637	Non-hydrogen_Atom_Count	31
16126651	Defined_Bond_Stereo_Count	0
6872	Molecular_Weight	213.23
12763	Hydrogen_Bond_Donor_Count	0
88800	Defined_Bond_Stereo_Count	0
74	Non-hydrogen_Atom_Count	54
12486	Covalent_Unit_Count	1
10342051	Total_Formal_Charge	0
449015	Covalent_Unit_Count	1
14449398	Undefined_Bond_Stereo_Count	0
5370611	Tautomer_Count	3
91945062	Undefined_Atom_Stereo_Count	3
9352	Undefined_Bond_Stereo_Count	0
5281426	Undefined_Bond_Stereo_Count	0
136305611	Rotatable_Bond_Count	0
656911	Tautomer_Count	3
449123	Isotope_Atom_Count	0
12774278	Undefined_Atom_Stereo_Count	0
71460947	Undefined_Atom_Stereo_Count	0
10047003	XLogP3-AA	6.4
65709	Defined_Atom_Stereo_Count	0
1077	Undefined_Atom_Stereo_Count	4
58460047	TPSA	98
19710	Molecular_Weight	118.13
17776820	Mono_Isotopic_Weight	110.109550447
701617	Mono_Isotopic_Weight	290.11542367
4369579	Exact_Mass	239.07284784
10313457	Structure_Complexity	72.1
165870	Molecular_Weight	214.22
71680688	Total_Formal_Charge	0
15008962	Tautomer_Count	1
67271	Undefined_Atom_Stereo_Count	0
9229	Defined_Atom_Stereo_Count	0
66541	Hydrogen_Bond_Donor_Count	0
2551	Structure_Complexity	117
52291	Tautomer_Count	1
57390797	Mono_Isotopic_Weight	428.31512653
71210615	Covalent_Unit_Count	1
10049	Undefined_Atom_Stereo_Count	0
21698963	Defined_Atom_Stereo_Count	0
47547	TPSA	62.7
744	Defined_Atom_Stereo_Count	0
41332	TPSA	106
45027815	TPSA	163
34515	Molecular_Weight	332.4
95197	Rotatable_Bond_Count	2
2906	Molecular_Weight	85.15
32122	Rotatable_Bond_Count	8
55276371	Defined_Bond_Stereo_Count	0
71361084	Hydrogen_Bond_Donor_Count	1
51038316	Defined_Bond_Stereo_Count	1
14121451	Covalent_Unit_Count	1
55288840	Defined_Atom_Stereo_Count	0
72941511	Hydrogen_Bond_Donor_Count	8
444104	Total_Formal_Charge	0
102657	Undefined_Bond_Stereo_Count	0
59757	TPSA	67.6
66708	Undefined_Bond_Stereo_Count	0
9821	Isotope_Atom_Count	0
8575	Mono_Isotopic_Weight	222.08920892
162014	Hydrogen_Bond_Donor_Count	3
44219759	Undefined_Atom_Stereo_Count	1
41690	Total_Formal_Charge	0
92196	Undefined_Bond_Stereo_Count	0
446973	Exact_Mass	90.068079557
236666	Rotatable_Bond_Count	0
8304	Non-hydrogen_Atom_Count	13
1664	Rotatable_Bond_Count	16
12896	XLogP3	3.2
81006	Covalent_Unit_Count	1
5801	Isotope_Atom_Count	0
97735	Undefined_Bond_Stereo_Count	0
239	Structure_Complexity	52.8
103023	Covalent_Unit_Count	1
55407	TPSA	37.8
3317081	Mono_Isotopic_Weight	329.0731179
38876	Structure_Complexity	233
104416	Undefined_Bond_Stereo_Count	0
49862574	Mono_Isotopic_Weight	442.15379832
102442	Defined_Bond_Stereo_Count	0
21189113	Non-hydrogen_Atom_Count	7
123415454	Molecular_Weight	97.16
5887	Exact_Mass	320.1113975
13940	Hydrogen_Bond_Donor_Count	0
96261	Defined_Bond_Stereo_Count	0
135332658	Exact_Mass	114.042927438
124723	Defined_Atom_Stereo_Count	0
78759348	TPSA	95.6
57369982	Total_Formal_Charge	0
23665410	Defined_Bond_Stereo_Count	0
19648	TPSA	922
23994	Rotatable_Bond_Count	0
10841	Defined_Atom_Stereo_Count	0
181138	Exact_Mass	186.115698455
20205	Covalent_Unit_Count	1
71727581	Molecular_Weight	440.9
21881641	Exact_Mass	811.47314329
5831	Covalent_Unit_Count	2
78493	XLogP3-AA	2.1
147895	Defined_Atom_Stereo_Count	11
141678430	TPSA	190
104881	Defined_Bond_Stereo_Count	0
122528532	Hydrogen_Bond_Acceptor_Count	3
5283853	Non-hydrogen_Atom_Count	29
5829	Isotope_Atom_Count	0
176873	Exact_Mass	588.30199564
171409	Hydrogen_Bond_Acceptor_Count	12
11194308	Total_Formal_Charge	0
54676539	Structure_Complexity	1040
61633	Structure_Complexity	160
1059	Hydrogen_Bond_Donor_Count	2
16726085	Mono_Isotopic_Weight	400.20115941
667450	Rotatable_Bond_Count	0
204735	Structure_Complexity	103
1712010	Total_Formal_Charge	0
139087624	Undefined_Bond_Stereo_Count	0
296659	Undefined_Atom_Stereo_Count	1
15395	Molecular_Weight	98.14
3372016	Molecular_Weight	524.7
33094	Molecular_Weight	150.17
54886	Hydrogen_Bond_Donor_Count	0
6437850	Total_Formal_Charge	0
2775941	Undefined_Atom_Stereo_Count	0
11954230	Mono_Isotopic_Weight	364.1376123
6918077	Total_Formal_Charge	0
10118014	Hydrogen_Bond_Donor_Count	2
15456	Molecular_Weight	275.28
100707	Non-hydrogen_Atom_Count	13
18410493	Structure_Complexity	111
71196	Defined_Bond_Stereo_Count	0
157727	Undefined_Atom_Stereo_Count	0
13740443	Undefined_Bond_Stereo_Count	0
10579	XLogP3-AA	7
91507903	Hydrogen_Bond_Acceptor_Count	3
79332	TPSA	35.5
11267045	Non-hydrogen_Atom_Count	23
1519487	Covalent_Unit_Count	1
133611945	Defined_Bond_Stereo_Count	1
443042	Undefined_Atom_Stereo_Count	0
11804893	Undefined_Atom_Stereo_Count	0
236115	Defined_Bond_Stereo_Count	0
9983292	Isotope_Atom_Count	0
3768578	Rotatable_Bond_Count	0
91562173	Hydrogen_Bond_Acceptor_Count	4
135449518	Undefined_Bond_Stereo_Count	0
99334	Tautomer_Count	2
24865076	Covalent_Unit_Count	1
77449069	Exact_Mass	110.084398327
6604378	Hydrogen_Bond_Acceptor_Count	2
307982	Structure_Complexity	77.7
9821174	Rotatable_Bond_Count	4
307976	Non-hydrogen_Atom_Count	8
2828	Structure_Complexity	509
59050045	Isotope_Atom_Count	0
64303	Mono_Isotopic_Weight	377.2233903
6256685	Rotatable_Bond_Count	12
17549	Undefined_Atom_Stereo_Count	0
71464488	Isotope_Atom_Count	0
43834	Tautomer_Count	1
535856	TPSA	25.8
23667651	Rotatable_Bond_Count	4
24875372	Isotope_Atom_Count	0
71717902	Exact_Mass	171.08211746
8141	Hydrogen_Bond_Acceptor_Count	0
57516744	Undefined_Atom_Stereo_Count	0
22419332	Structure_Complexity	137
13838	Isotope_Atom_Count	0
6227	Exact_Mass	137.93164
53906657	Exact_Mass	100.052429494
14517197	Mono_Isotopic_Weight	107.048347172
23555879	Undefined_Bond_Stereo_Count	0
36688117	Rotatable_Bond_Count	5
19029677	Defined_Atom_Stereo_Count	0
53249784	Total_Formal_Charge	0
6440180	Covalent_Unit_Count	1
91224654	Total_Formal_Charge	0
309	Total_Formal_Charge	0
12536959	Rotatable_Bond_Count	2
60196330	Non-hydrogen_Atom_Count	13
23574312	Covalent_Unit_Count	1
5282227	Isotope_Atom_Count	0
819109	XLogP3-AA	1.7
22134406	Molecular_Weight	113.11
87457638	Defined_Atom_Stereo_Count	0
25201573	Molecular_Weight	112.15
56704	Tautomer_Count	2
53465	Tautomer_Count	1
134694652	Defined_Atom_Stereo_Count	3
7855	Rotatable_Bond_Count	0
54225123	Undefined_Bond_Stereo_Count	0
70308	Hydrogen_Bond_Donor_Count	0
95652	Undefined_Atom_Stereo_Count	1
4418	XLogP3-AA	4.1
13474789	Defined_Bond_Stereo_Count	0
441467	Hydrogen_Bond_Acceptor_Count	7
89225	Undefined_Bond_Stereo_Count	0
7904	Structure_Complexity	65.9
71776638	Undefined_Bond_Stereo_Count	0
446201	Total_Formal_Charge	0
23009	Structure_Complexity	239
133268492	Defined_Atom_Stereo_Count	10
6919014	Hydrogen_Bond_Acceptor_Count	4
23378249	TPSA	47.9
129009964	Exact_Mass	834.54530517
443046	Undefined_Atom_Stereo_Count	3
260127	Isotope_Atom_Count	0
68666	Exact_Mass	478.04393321
87155	Molecular_Weight	178.18
13463247	Rotatable_Bond_Count	1
13001614	Mono_Isotopic_Weight	115.074561919
25271901	Undefined_Bond_Stereo_Count	0
77529	Covalent_Unit_Count	1
222284	XLogP3-AA	9.3
11098017	XLogP3-AA	0
143811683	Defined_Atom_Stereo_Count	0
57587000	Mono_Isotopic_Weight	115.063328530
6657	Non-hydrogen_Atom_Count	7
94310	Covalent_Unit_Count	1
698	Hydrogen_Bond_Donor_Count	1
136705	Covalent_Unit_Count	1
71435	Covalent_Unit_Count	3
140229084	Structure_Complexity	96.3
11173546	Non-hydrogen_Atom_Count	21
12302693	Defined_Bond_Stereo_Count	0
6917719	Isotope_Atom_Count	0
22022636	Molecular_Weight	86.14
14643618	Hydrogen_Bond_Acceptor_Count	2
11596660	Non-hydrogen_Atom_Count	31
58143010	Total_Formal_Charge	0
24950485	Isotope_Atom_Count	0
398593	Undefined_Atom_Stereo_Count	0
2386	Non-hydrogen_Atom_Count	25
9827294	Defined_Bond_Stereo_Count	0
101401747	Rotatable_Bond_Count	3
7085	Non-hydrogen_Atom_Count	21
78373	Undefined_Atom_Stereo_Count	0
53631403	Hydrogen_Bond_Acceptor_Count	2
45358438	XLogP3-AA	3.2
5363548	Undefined_Bond_Stereo_Count	0
61583	Defined_Bond_Stereo_Count	0
566032	XLogP3-AA	2.4
73339	Non-hydrogen_Atom_Count	15
11655119	Tautomer_Count	1
117736498	TPSA	13.1
5460795	Defined_Atom_Stereo_Count	2
6422232	Defined_Atom_Stereo_Count	0
208951	Undefined_Bond_Stereo_Count	0
6321392	Mono_Isotopic_Weight	324.10698424
69158	Structure_Complexity	346
71571512	Mono_Isotopic_Weight	527.23263824
10937607	Rotatable_Bond_Count	0
13050985	Undefined_Atom_Stereo_Count	1
120826	XLogP3-AA	1.1
17904805	Total_Formal_Charge	0
57390796	Undefined_Bond_Stereo_Count	0
135883785	Hydrogen_Bond_Donor_Count	5
54466147	TPSA	29.5
10189783	Isotope_Atom_Count	0
12232989	XLogP3-AA	0.7
21592210	Rotatable_Bond_Count	7
165664742	Non-hydrogen_Atom_Count	7
68002	TPSA	74
444008	Undefined_Atom_Stereo_Count	0
36890	Tautomer_Count	2
23117804	Defined_Bond_Stereo_Count	0
19029677	Molecular_Weight	85.07
9835852	Covalent_Unit_Count	1
34591	Undefined_Atom_Stereo_Count	0
13207481	Molecular_Weight	117.15
10606713	Mono_Isotopic_Weight	113.047678466
64017	TPSA	112
1596	Hydrogen_Bond_Donor_Count	2
9734	Rotatable_Bond_Count	0
600	Isotope_Atom_Count	0
19847	Exact_Mass	281.9554066
71719928	Rotatable_Bond_Count	18
31132	Total_Formal_Charge	0
16760503	Isotope_Atom_Count	0
160602	Isotope_Atom_Count	0
78383862	Isotope_Atom_Count	0
86922	Defined_Bond_Stereo_Count	0
149784	Exact_Mass	277.19026037
61867	Undefined_Atom_Stereo_Count	0
154515422	Structure_Complexity	82.4
83884	Hydrogen_Bond_Acceptor_Count	9
83444	Rotatable_Bond_Count	4
12637126	Covalent_Unit_Count	1
40466884	Hydrogen_Bond_Donor_Count	2
62662	Hydrogen_Bond_Acceptor_Count	11
16682730	Structure_Complexity	130
22630	Isotope_Atom_Count	0
12456033	Structure_Complexity	175
12087	Total_Formal_Charge	0
53970191	Defined_Atom_Stereo_Count	0
59311377	TPSA	50.2
10510817	Hydrogen_Bond_Acceptor_Count	2
43029	Rotatable_Bond_Count	6
6837	Isotope_Atom_Count	0
117188816	Mono_Isotopic_Weight	113.058911855
29566	Isotope_Atom_Count	0
46843057	Defined_Bond_Stereo_Count	0
2106900	Total_Formal_Charge	0
129673373	Hydrogen_Bond_Acceptor_Count	14
18632	TPSA	12.5
71583051	Non-hydrogen_Atom_Count	31
76398	Hydrogen_Bond_Acceptor_Count	1
4623	Undefined_Atom_Stereo_Count	0
85989631	Molecular_Weight	94.15
11355447	Tautomer_Count	1
7450	Total_Formal_Charge	0
42540	Molecular_Weight	390.9
59036328	Covalent_Unit_Count	1
5354076	XLogP3-AA	1.5
51039095	Mono_Isotopic_Weight	463.25833993
135421783	Molecular_Weight	895.9
9794218	Total_Formal_Charge	0
282030	Hydrogen_Bond_Acceptor_Count	5
1615208	Rotatable_Bond_Count	2
89349945	Non-hydrogen_Atom_Count	8
257	Exact_Mass	711.43226354
583941	Rotatable_Bond_Count	2
969152	Hydrogen_Bond_Donor_Count	1
644021	Undefined_Atom_Stereo_Count	0
71644	Non-hydrogen_Atom_Count	19
11982778	Exact_Mass	1348.58318267
123190012	Hydrogen_Bond_Donor_Count	0
9847836	Total_Formal_Charge	0
97931	Rotatable_Bond_Count	5
13546	Rotatable_Bond_Count	2
11839	Exact_Mass	343.78700
1397	Defined_Bond_Stereo_Count	0
76964745	Structure_Complexity	410
18349198	Hydrogen_Bond_Donor_Count	1
841	Exact_Mass	164.06847348
5745	Molecular_Weight	402.5
66254	Molecular_Weight	192.07
9823302	Isotope_Atom_Count	0
60594	Defined_Bond_Stereo_Count	0
98218	Undefined_Bond_Stereo_Count	0
92258	Undefined_Bond_Stereo_Count	0
24865264	Non-hydrogen_Atom_Count	33
54074602	Rotatable_Bond_Count	1
57254473	Isotope_Atom_Count	0
135193	Tautomer_Count	3
6314	Hydrogen_Bond_Acceptor_Count	2
24824	Rotatable_Bond_Count	0
91284889	Exact_Mass	113.084063974
12539503	TPSA	0
92363	XLogP3	1.5
11661758	TPSA	147
4132	Isotope_Atom_Count	0
78960	Hydrogen_Bond_Acceptor_Count	1
8154	Exact_Mass	319.3005780
244	Mono_Isotopic_Weight	108.057514874
9930448	Non-hydrogen_Atom_Count	28
22556	Hydrogen_Bond_Acceptor_Count	1
24737642	Hydrogen_Bond_Acceptor_Count	7
68321837	Rotatable_Bond_Count	1
128882	TPSA	279
11946	Hydrogen_Bond_Donor_Count	0
9831659	Non-hydrogen_Atom_Count	52
3090	Non-hydrogen_Atom_Count	10
459140	Molecular_Weight	314.3
16683	Exact_Mass	174.08920892
8843	Total_Formal_Charge	0
2032	Mono_Isotopic_Weight	334.262028332
27197	Covalent_Unit_Count	1
54746	Undefined_Atom_Stereo_Count	0
3878	Defined_Atom_Stereo_Count	0
139121	Defined_Atom_Stereo_Count	0
22094	Non-hydrogen_Atom_Count	22
19354670	Mono_Isotopic_Weight	86.084398327
8748	Exact_Mass	154.135765193
92303	TPSA	6.5
18431843	Rotatable_Bond_Count	0
60011464	XLogP3-AA	2.5
392	Covalent_Unit_Count	1
54368096	Non-hydrogen_Atom_Count	7
22563957	Mono_Isotopic_Weight	114.104465066
55113	Undefined_Atom_Stereo_Count	0
74406	Undefined_Atom_Stereo_Count	0
60148207	Mono_Isotopic_Weight	734.2492203
101602	Total_Formal_Charge	0
138107840	Structure_Complexity	817
51178	Total_Formal_Charge	0
59168911	XLogP3-AA	0.6
1550330	Non-hydrogen_Atom_Count	21
398579	Defined_Atom_Stereo_Count	0
11442	Undefined_Bond_Stereo_Count	0
573813	Defined_Atom_Stereo_Count	0
16158207	Undefined_Atom_Stereo_Count	0
10798	Undefined_Atom_Stereo_Count	0
10946	Defined_Atom_Stereo_Count	0
410029	Non-hydrogen_Atom_Count	18
18747	Tautomer_Count	2
21937642	Covalent_Unit_Count	1
124316	Undefined_Atom_Stereo_Count	0
88239551	Undefined_Bond_Stereo_Count	0
72074	Molecular_Weight	296.33
5593	Defined_Bond_Stereo_Count	0
53701416	Defined_Atom_Stereo_Count	0
535856	Defined_Bond_Stereo_Count	0
91902981	Mono_Isotopic_Weight	665.30474055
70691154	Mono_Isotopic_Weight	503.1836508
10989520	Structure_Complexity	323
22328014	Exact_Mass	114.00654193
53988715	Molecular_Weight	94.07
91753	Tautomer_Count	1
529389	Defined_Bond_Stereo_Count	0
97637	Hydrogen_Bond_Acceptor_Count	1
44531649	Covalent_Unit_Count	1
4436	Hydrogen_Bond_Donor_Count	1
129905275	Hydrogen_Bond_Acceptor_Count	8
13480954	Undefined_Bond_Stereo_Count	0
10622871	XLogP3-AA	1.6
68705	Defined_Bond_Stereo_Count	0
2933256	Hydrogen_Bond_Acceptor_Count	1
28	Structure_Complexity	229
11829365	Covalent_Unit_Count	1
136796	Hydrogen_Bond_Donor_Count	0
5065	TPSA	179
5288033	Hydrogen_Bond_Donor_Count	1
585999	TPSA	80.4
611145	Covalent_Unit_Count	1
114506	Rotatable_Bond_Count	2
409350	Hydrogen_Bond_Acceptor_Count	4
3824520	TPSA	17.1
443115	Undefined_Atom_Stereo_Count	0
12223113	Defined_Bond_Stereo_Count	0
392622	Non-hydrogen_Atom_Count	50
53932534	Total_Formal_Charge	0
16219903	Exact_Mass	614.38186868
67296	Isotope_Atom_Count	0
134688091	Exact_Mass	446.26683893
88524529	Total_Formal_Charge	0
92470	Hydrogen_Bond_Donor_Count	1
16049029	Total_Formal_Charge	0
107794	Hydrogen_Bond_Donor_Count	5
11073371	Undefined_Atom_Stereo_Count	0
101641111	Undefined_Bond_Stereo_Count	0
91753	TPSA	40.6
54058352	Non-hydrogen_Atom_Count	8
37993	Tautomer_Count	1
9600409	Defined_Bond_Stereo_Count	1
57159129	Isotope_Atom_Count	0
8970	Structure_Complexity	340
171378	Molecular_Weight	146.18
89053239	Defined_Bond_Stereo_Count	0
52914006	Exact_Mass	468.32395988
71306415	Isotope_Atom_Count	0
43859	Non-hydrogen_Atom_Count	26
71277	Defined_Bond_Stereo_Count	0
5717	XLogP3-AA	5.5
89389546	Isotope_Atom_Count	0
53395363	Hydrogen_Bond_Donor_Count	2
146821604	Molecular_Weight	100.16
731747	Hydrogen_Bond_Donor_Count	2
53681289	Exact_Mass	102.079312947
13912815	Hydrogen_Bond_Donor_Count	2
549699	Hydrogen_Bond_Acceptor_Count	1
67121664	TPSA	20.2
38141	Defined_Atom_Stereo_Count	0
10027822	Hydrogen_Bond_Donor_Count	2
53446942	Molecular_Weight	150.17
65940	Undefined_Atom_Stereo_Count	0
14202705	Non-hydrogen_Atom_Count	8
4583	Covalent_Unit_Count	1
67258704	TPSA	35.3
126521	Exact_Mass	304.13828437
725544	Hydrogen_Bond_Donor_Count	2
10767	TPSA	29.5
6518	XLogP3-AA	1.4
130390356	Defined_Bond_Stereo_Count	0
3955344	Structure_Complexity	599
13930075	Total_Formal_Charge	0
11545	Covalent_Unit_Count	2
26970	Tautomer_Count	1
78485	Undefined_Bond_Stereo_Count	0
17516	Defined_Atom_Stereo_Count	0
4507	Hydrogen_Bond_Donor_Count	1
13707503	Rotatable_Bond_Count	2
56678999	Isotope_Atom_Count	0
96268	Undefined_Bond_Stereo_Count	0
53756508	Rotatable_Bond_Count	1
4526530	Isotope_Atom_Count	0
11329359	TPSA	112
14585548	Undefined_Bond_Stereo_Count	0
78882	Non-hydrogen_Atom_Count	12
42317	Exact_Mass	307.15320616
143694905	Defined_Atom_Stereo_Count	0
54880	XLogP3	5.6
83694167	XLogP3-AA	1
410214	Covalent_Unit_Count	1
22643	Non-hydrogen_Atom_Count	16
18445434	Structure_Complexity	47
246	Molecular_Weight	370.5
20617585	Mono_Isotopic_Weight	93.021463719
176448	Molecular_Weight	148.16
9957766	TPSA	105
71306478	Exact_Mass	369.01778760
94865125	Defined_Atom_Stereo_Count	16
23151260	Defined_Atom_Stereo_Count	0
12057264	Non-hydrogen_Atom_Count	5
11499204	Total_Formal_Charge	0
11480403	Hydrogen_Bond_Donor_Count	1
958	Undefined_Bond_Stereo_Count	7
164158597	Defined_Bond_Stereo_Count	0
524211	Mono_Isotopic_Weight	106.078250319
6440900	Tautomer_Count	1
12347357	Undefined_Bond_Stereo_Count	0
153	Total_Formal_Charge	0
224242	Non-hydrogen_Atom_Count	7
90488715	Defined_Atom_Stereo_Count	10
11814656	TPSA	223
636523	Rotatable_Bond_Count	2
64666310	Defined_Bond_Stereo_Count	0
140814	Total_Formal_Charge	0
398516	Mono_Isotopic_Weight	380.13069707
20441	TPSA	77.8
136114017	Structure_Complexity	952
5281764	Molecular_Weight	474.4
205953	Structure_Complexity	570
123659755	Mono_Isotopic_Weight	102.068079557
15773	Total_Formal_Charge	0
15072744	Undefined_Bond_Stereo_Count	0
46882191	Structure_Complexity	560
367656	Hydrogen_Bond_Donor_Count	0
184841	Non-hydrogen_Atom_Count	28
137148307	Hydrogen_Bond_Donor_Count	5
7360	Hydrogen_Bond_Donor_Count	1
51671	Exact_Mass	413.18854629
5311023	Molecular_Weight	473.6
12302681	Undefined_Atom_Stereo_Count	1
12341793	Structure_Complexity	365
44392137	Structure_Complexity	820
131170	Defined_Bond_Stereo_Count	0
2724055	Undefined_Atom_Stereo_Count	0
7684	Non-hydrogen_Atom_Count	11
25262965	Undefined_Bond_Stereo_Count	0
4354	Defined_Atom_Stereo_Count	0
161930	Undefined_Bond_Stereo_Count	0
56846451	Exact_Mass	748.3126588
21887748	Rotatable_Bond_Count	0
24742076	Defined_Bond_Stereo_Count	0
58208	Total_Formal_Charge	0
120741	Non-hydrogen_Atom_Count	24
24871329	Undefined_Bond_Stereo_Count	0
45923684	Exact_Mass	112.074896272
56841558	Defined_Bond_Stereo_Count	0
444006	Rotatable_Bond_Count	12
89129308	Isotope_Atom_Count	0
12943941	Total_Formal_Charge	0
15939	Mono_Isotopic_Weight	186.115698455
12305037	Rotatable_Bond_Count	8
656667	Non-hydrogen_Atom_Count	38
37270	Hydrogen_Bond_Donor_Count	0
122449120	Molecular_Weight	100.12
129866430	Hydrogen_Bond_Acceptor_Count	0
6825	Undefined_Atom_Stereo_Count	0
123455	Undefined_Bond_Stereo_Count	0
6335951	Isotope_Atom_Count	0
107169	Exact_Mass	113.084063974
44229138	Defined_Bond_Stereo_Count	0
4237	Non-hydrogen_Atom_Count	25
1054	Defined_Atom_Stereo_Count	0
3045335	Defined_Bond_Stereo_Count	0
16760265	Hydrogen_Bond_Donor_Count	3
529212	Defined_Atom_Stereo_Count	0
78759283	Isotope_Atom_Count	0
2482	Exact_Mass	193.110278721
130394	Hydrogen_Bond_Acceptor_Count	8
155032	Mono_Isotopic_Weight	407.0562682
11101	Total_Formal_Charge	0
66275	Defined_Atom_Stereo_Count	0
186044	Exact_Mass	101.047678466
24856	Molecular_Weight	258.21
39534	Mono_Isotopic_Weight	198.125594432
71679077	Covalent_Unit_Count	1
21835032	Undefined_Atom_Stereo_Count	0
13600903	Undefined_Atom_Stereo_Count	0
23082568	Covalent_Unit_Count	2
6028	Mono_Isotopic_Weight	229.885975
17745	Isotope_Atom_Count	0
71070	Hydrogen_Bond_Acceptor_Count	4
9887304	Structure_Complexity	682
156284	Defined_Atom_Stereo_Count	3
10307909	Defined_Bond_Stereo_Count	0
5462210	Undefined_Bond_Stereo_Count	0
54177139	Hydrogen_Bond_Acceptor_Count	2
134695314	Defined_Atom_Stereo_Count	9
16211197	Defined_Atom_Stereo_Count	1
20535601	Structure_Complexity	86.5
3862646	Defined_Bond_Stereo_Count	0
10027816	Undefined_Atom_Stereo_Count	1
10898675	Defined_Atom_Stereo_Count	0
6387	Isotope_Atom_Count	0
23581796	Total_Formal_Charge	0
18502	TPSA	29.4
54242173	Defined_Atom_Stereo_Count	0
91506	Exact_Mass	911.15746899
156618055	Molecular_Weight	342.30
146382	TPSA	160
93556	Defined_Bond_Stereo_Count	0
123525	Hydrogen_Bond_Acceptor_Count	1
129681963	Rotatable_Bond_Count	4
16049024	Non-hydrogen_Atom_Count	34
53674114	Structure_Complexity	128
44578649	Rotatable_Bond_Count	7
16219444	TPSA	159
34850	Defined_Bond_Stereo_Count	0
7067872	Mono_Isotopic_Weight	303.14705815
61916	Defined_Bond_Stereo_Count	0
36401	Undefined_Bond_Stereo_Count	0
633097	Exact_Mass	434.21046687
16682746	TPSA	9.2
135408714	Defined_Atom_Stereo_Count	0
176907	Total_Formal_Charge	0
11398	Total_Formal_Charge	0
136333	Non-hydrogen_Atom_Count	5
94297	Total_Formal_Charge	0
2021	Defined_Bond_Stereo_Count	0
273577	XLogP3-AA	4.4
70789955	Total_Formal_Charge	0
22628430	Molecular_Weight	97.12
91649	Defined_Bond_Stereo_Count	0
66071945	Exact_Mass	111.068413911
135398579	Defined_Bond_Stereo_Count	0
71541188	Covalent_Unit_Count	1
9863	Structure_Complexity	10
91003779	Hydrogen_Bond_Acceptor_Count	1
66587032	Total_Formal_Charge	0
57079767	Defined_Bond_Stereo_Count	0
465585	Molecular_Weight	582.7
5308742	Rotatable_Bond_Count	3
47811	Non-hydrogen_Atom_Count	22
5071450	TPSA	69.7
81445	Hydrogen_Bond_Donor_Count	1
15636950	Exact_Mass	100.100048391
282064	Hydrogen_Bond_Donor_Count	1
145262893	Non-hydrogen_Atom_Count	7
8508	Isotope_Atom_Count	0
87203	Tautomer_Count	5
4273	Undefined_Atom_Stereo_Count	0
58750499	Hydrogen_Bond_Acceptor_Count	2
68093	Structure_Complexity	324
75796	Covalent_Unit_Count	1
93012	Rotatable_Bond_Count	5
18349198	Covalent_Unit_Count	1
5535	Covalent_Unit_Count	1
132305	Hydrogen_Bond_Donor_Count	2
10181898	Rotatable_Bond_Count	5
50711	Hydrogen_Bond_Donor_Count	2
79680	Hydrogen_Bond_Acceptor_Count	2
19690565	Structure_Complexity	119
23727689	Total_Formal_Charge	0
3793	Mono_Isotopic_Weight	704.2393071
7092657	XLogP3-AA	4.1
54307121	Defined_Atom_Stereo_Count	0
5367785	Hydrogen_Bond_Acceptor_Count	2
565391	Hydrogen_Bond_Donor_Count	0
11197252	Defined_Bond_Stereo_Count	0
573530	Mono_Isotopic_Weight	110.048012819
136069	Defined_Bond_Stereo_Count	0
13719374	Undefined_Bond_Stereo_Count	0
211202	Defined_Atom_Stereo_Count	0
168701	TPSA	108
15461361	Defined_Bond_Stereo_Count	2
50483	Defined_Bond_Stereo_Count	0
522769	Molecular_Weight	178.48
3049	Molecular_Weight	266.3
6326983	Defined_Bond_Stereo_Count	0
11194160	XLogP3-AA	7.5
746	Defined_Bond_Stereo_Count	0
55710	Hydrogen_Bond_Acceptor_Count	3
6918585	Covalent_Unit_Count	1
11412777	Undefined_Bond_Stereo_Count	0
12264	Mono_Isotopic_Weight	118.08162162
54006622	Defined_Atom_Stereo_Count	0
62802	Undefined_Atom_Stereo_Count	0
89076189	Total_Formal_Charge	0
671690	Mono_Isotopic_Weight	313.0636342
3075	Non-hydrogen_Atom_Count	29
71337442	Undefined_Bond_Stereo_Count	0
24825253	XLogP3-AA	6.8
9548801	Hydrogen_Bond_Donor_Count	8
38980	Non-hydrogen_Atom_Count	21
8142	Tautomer_Count	1
130124661	Non-hydrogen_Atom_Count	7
6861	Defined_Bond_Stereo_Count	0
98502	Exact_Mass	247.88706
139030973	Covalent_Unit_Count	3
216466	Defined_Bond_Stereo_Count	0
794	Covalent_Unit_Count	1
24848419	TPSA	93.5
10061651	Hydrogen_Bond_Acceptor_Count	2
60152109	Rotatable_Bond_Count	7
447340	Hydrogen_Bond_Acceptor_Count	3
86501	Non-hydrogen_Atom_Count	8
129758641	Covalent_Unit_Count	2
11364421	Exact_Mass	521.31143813
56846324	Structure_Complexity	303
76469	Structure_Complexity	250
644279	Defined_Bond_Stereo_Count	0
32283	Hydrogen_Bond_Donor_Count	2
3843063	Undefined_Bond_Stereo_Count	0
11673085	Rotatable_Bond_Count	0
71511839	Non-hydrogen_Atom_Count	71
44559883	Non-hydrogen_Atom_Count	48
6419	Tautomer_Count	1
3081743	Hydrogen_Bond_Acceptor_Count	5
54676038	Undefined_Bond_Stereo_Count	0
19437298	Non-hydrogen_Atom_Count	7
13643838	Defined_Bond_Stereo_Count	0
165956322	Total_Formal_Charge	0
446411	Molecular_Weight	414.5
3162	Undefined_Bond_Stereo_Count	0
12676	Mono_Isotopic_Weight	191.93976
72495	XLogP3-AA	4.3
62512	TPSA	40.5
86590530	Hydrogen_Bond_Donor_Count	0
3343	Mono_Isotopic_Weight	303.14705815
47297	Isotope_Atom_Count	0
20764676	Hydrogen_Bond_Donor_Count	0
153830378	Mono_Isotopic_Weight	116.083729621
326240	Structure_Complexity	1080
8672	Hydrogen_Bond_Acceptor_Count	3
54598522	Undefined_Atom_Stereo_Count	0
5330790	Mono_Isotopic_Weight	394.06596576
600	Molecular_Weight	258.12
17750123	Covalent_Unit_Count	1
358	Defined_Bond_Stereo_Count	0
708614	Covalent_Unit_Count	1
12585	XLogP3-AA	2.1
118971790	Isotope_Atom_Count	0
247769	Non-hydrogen_Atom_Count	7
160554	Total_Formal_Charge	0
153664867	Isotope_Atom_Count	0
3151	Hydrogen_Bond_Acceptor_Count	3
30923	Undefined_Bond_Stereo_Count	0
57379345	Hydrogen_Bond_Donor_Count	3
57497484	Exact_Mass	324.183778013
908617	Defined_Bond_Stereo_Count	0
3513	XLogP3-AA	2.7
83095	Non-hydrogen_Atom_Count	10
76121	Defined_Atom_Stereo_Count	0
142538	Undefined_Atom_Stereo_Count	2
11194160	Covalent_Unit_Count	1
688137	Defined_Bond_Stereo_Count	0
95717	Rotatable_Bond_Count	0
22643	Mono_Isotopic_Weight	243.1026065
71312086	Undefined_Bond_Stereo_Count	1
445761	Exact_Mass	594.27233548
19830152	TPSA	34.1
69027241	Structure_Complexity	137
5353830	Total_Formal_Charge	0
24181146	Non-hydrogen_Atom_Count	22
3532561	Undefined_Bond_Stereo_Count	0
160331	Structure_Complexity	365
87370	Hydrogen_Bond_Donor_Count	0
63025	Structure_Complexity	632
88974	Tautomer_Count	9
153903	Molecular_Weight	110.11
5256574	Non-hydrogen_Atom_Count	8
5281116	Undefined_Atom_Stereo_Count	0
9425	Defined_Atom_Stereo_Count	0
62097	Defined_Atom_Stereo_Count	0
6994	Isotope_Atom_Count	0
105035	Hydrogen_Bond_Acceptor_Count	3
53832747	Isotope_Atom_Count	0
941385	TPSA	71.1
56518	Total_Formal_Charge	0
70338843	Structure_Complexity	102
30912	Isotope_Atom_Count	0
129893609	Non-hydrogen_Atom_Count	49
4419	Molecular_Weight	357.4
13035004	Molecular_Weight	101.10
44190035	Exact_Mass	209.095297364
20711973	Hydrogen_Bond_Acceptor_Count	0
84647611	Exact_Mass	101.084063974
10822	Mono_Isotopic_Weight	107.073499291
917	Hydrogen_Bond_Donor_Count	3
536145	Defined_Bond_Stereo_Count	0
133134	Defined_Bond_Stereo_Count	0
671214	Covalent_Unit_Count	1
2734087	Exact_Mass	170.96836
4042	Tautomer_Count	10
3080825	Structure_Complexity	196
5319879	Total_Formal_Charge	0
5319022	Non-hydrogen_Atom_Count	14
7906	Molecular_Weight	215.63
7340	Hydrogen_Bond_Acceptor_Count	3
89219185	Isotope_Atom_Count	0
10116556	Isotope_Atom_Count	0
10449	Tautomer_Count	1
54231313	Hydrogen_Bond_Donor_Count	1
71450704	Exact_Mass	486.16853912
472335	Non-hydrogen_Atom_Count	29
141758021	Total_Formal_Charge	0
230710	Covalent_Unit_Count	1
13092476	Rotatable_Bond_Count	0
35810	TPSA	31.7
7054	Isotope_Atom_Count	0
14172370	Covalent_Unit_Count	1
73664614	Rotatable_Bond_Count	0
3058739	Molecular_Weight	301.5
6953	Hydrogen_Bond_Acceptor_Count	6
8543	Non-hydrogen_Atom_Count	19
42239	Covalent_Unit_Count	1
73707447	Hydrogen_Bond_Donor_Count	8
2762838	Exact_Mass	115.02335542
24439	Total_Formal_Charge	0
58935140	Defined_Atom_Stereo_Count	0
9548590	Hydrogen_Bond_Acceptor_Count	4
66908206	Non-hydrogen_Atom_Count	8
40602794	Hydrogen_Bond_Donor_Count	2
5284603	Tautomer_Count	6
21202	Hydrogen_Bond_Donor_Count	0
54725318	Undefined_Bond_Stereo_Count	0
11212667	Undefined_Atom_Stereo_Count	0
6335436	Undefined_Atom_Stereo_Count	0
12220383	Isotope_Atom_Count	0
2447	Isotope_Atom_Count	0
5288783	Undefined_Bond_Stereo_Count	0
5486194	Rotatable_Bond_Count	8
5282745	Non-hydrogen_Atom_Count	18
18626412	Structure_Complexity	63.1
248898	Defined_Bond_Stereo_Count	0
7943	Defined_Atom_Stereo_Count	0
7269	Undefined_Atom_Stereo_Count	0
2758	Hydrogen_Bond_Donor_Count	0
56955187	Hydrogen_Bond_Donor_Count	1
542556	Defined_Bond_Stereo_Count	0
2733	XLogP3	1.8
117059122	Rotatable_Bond_Count	8
20746480	Defined_Bond_Stereo_Count	0
23894	Exact_Mass	249.93841509
23954	Isotope_Atom_Count	0
10975412	Tautomer_Count	1
15106	TPSA	38
47319	Exact_Mass	928.50852574
32	Undefined_Bond_Stereo_Count	1
38910	Covalent_Unit_Count	1
66073187	Hydrogen_Bond_Acceptor_Count	2
92002571	Non-hydrogen_Atom_Count	25
99868	Covalent_Unit_Count	1
3802528	Mono_Isotopic_Weight	624.171497
21830223	Structure_Complexity	48.1
448949	Tautomer_Count	119
158058588	Isotope_Atom_Count	0
44319	Mono_Isotopic_Weight	257.120449483
118104	Non-hydrogen_Atom_Count	8
94381	Molecular_Weight	333.4
70048	Structure_Complexity	230
66609526	Exact_Mass	110.048012819
12228440	Rotatable_Bond_Count	3
16049867	XLogP3-AA	4.4
79088	Mono_Isotopic_Weight	87.032028402
3033856	Molecular_Weight	320.42
6429536	Mono_Isotopic_Weight	199.93343
100927764	Defined_Bond_Stereo_Count	0
482	Defined_Bond_Stereo_Count	0
3036824	Defined_Atom_Stereo_Count	8
74724	Covalent_Unit_Count	2
38666	Rotatable_Bond_Count	2
3001662	Rotatable_Bond_Count	4
10517	Total_Formal_Charge	0
4874	Hydrogen_Bond_Acceptor_Count	5
135391136	Rotatable_Bond_Count	13
108007	Exact_Mass	619.175549
317542	Defined_Bond_Stereo_Count	0
66824	Hydrogen_Bond_Acceptor_Count	3
22382373	Defined_Atom_Stereo_Count	0
4293604	Defined_Atom_Stereo_Count	0
25778	Non-hydrogen_Atom_Count	20
72666	Isotope_Atom_Count	0
66545744	Isotope_Atom_Count	0
98051220	Hydrogen_Bond_Donor_Count	0
9966051	XLogP3-AA	4.2
70390	Exact_Mass	226.110613074
124426476	Total_Formal_Charge	0
64644	TPSA	121
225161	Non-hydrogen_Atom_Count	6
140	Isotope_Atom_Count	0
91168961	Total_Formal_Charge	0
5702236	Molecular_Weight	261.34
13356643	Hydrogen_Bond_Donor_Count	1
58795738	TPSA	32.9
38350	Hydrogen_Bond_Donor_Count	0
5280883	Defined_Atom_Stereo_Count	5
11108673	Rotatable_Bond_Count	0
1479778	Structure_Complexity	370
12334529	Exact_Mass	84.068748264
22472382	Structure_Complexity	135
68840	Total_Formal_Charge	0
672	Undefined_Atom_Stereo_Count	3
10974	Tautomer_Count	1
123373475	Undefined_Bond_Stereo_Count	0
1518	Mono_Isotopic_Weight	242.154489261
15376592	Undefined_Bond_Stereo_Count	0
68790	Covalent_Unit_Count	1
192	TPSA	292
63013	Mono_Isotopic_Weight	299.1652068
21061676	Defined_Bond_Stereo_Count	0
447407	Covalent_Unit_Count	1
84677	Isotope_Atom_Count	0
452254	Exact_Mass	355.94971
3710	Defined_Bond_Stereo_Count	0
50878565	Isotope_Atom_Count	0
4127	Exact_Mass	258.10560788
11170931	Undefined_Bond_Stereo_Count	0
446378	Hydrogen_Bond_Donor_Count	2
18755011	Rotatable_Bond_Count	0
182645	Exact_Mass	220.182715385
5359484	TPSA	88.8
5122	Total_Formal_Charge	0
6336525	Total_Formal_Charge	0
154825180	Isotope_Atom_Count	0
4259	Mono_Isotopic_Weight	401.17508442
34154	Non-hydrogen_Atom_Count	17
23616278	Molecular_Weight	92.57
10693833	Covalent_Unit_Count	1
129629061	Structure_Complexity	101
5360	Undefined_Bond_Stereo_Count	0
20324725	Defined_Bond_Stereo_Count	0
22581391	Exact_Mass	361.0110321
18684901	Isotope_Atom_Count	0
19846446	Covalent_Unit_Count	1
232651	Total_Formal_Charge	0
2723671	Rotatable_Bond_Count	12
10244374	Isotope_Atom_Count	0
59047	Undefined_Atom_Stereo_Count	2
18357	Undefined_Bond_Stereo_Count	0
80873	Hydrogen_Bond_Donor_Count	4
21677759	Exact_Mass	302.13923312
13684986	Defined_Bond_Stereo_Count	0
12669677	Hydrogen_Bond_Donor_Count	0
237413	Defined_Atom_Stereo_Count	2
299728	Undefined_Bond_Stereo_Count	0
6432906	Non-hydrogen_Atom_Count	10
10321498	Structure_Complexity	614
11029769	Hydrogen_Bond_Acceptor_Count	1
51577	Undefined_Bond_Stereo_Count	0
22645860	Hydrogen_Bond_Acceptor_Count	3
20448997	Hydrogen_Bond_Acceptor_Count	3
517414	Structure_Complexity	231
16211101	Undefined_Atom_Stereo_Count	0
5859	Structure_Complexity	418
12394645	Hydrogen_Bond_Acceptor_Count	1
14803791	Mono_Isotopic_Weight	116.083729621
66602654	Defined_Atom_Stereo_Count	0
45357888	Undefined_Bond_Stereo_Count	0
4202286	Non-hydrogen_Atom_Count	50
85538	Undefined_Atom_Stereo_Count	0
24825265	Hydrogen_Bond_Acceptor_Count	7
53935056	Structure_Complexity	37.1
8805	Rotatable_Bond_Count	3
89143818	Hydrogen_Bond_Acceptor_Count	3
143888994	Isotope_Atom_Count	0
170813	Isotope_Atom_Count	0
60196306	Covalent_Unit_Count	1
126968495	Undefined_Atom_Stereo_Count	0
85847719	TPSA	42.5
11446301	Exact_Mass	108.068748264
6504	Total_Formal_Charge	0
36431	Exact_Mass	421.2244530
443933	XLogP3-AA	4.9
18998026	Hydrogen_Bond_Donor_Count	1
12187	Defined_Bond_Stereo_Count	0
12842598	Undefined_Bond_Stereo_Count	0
17129	Molecular_Weight	172.26
23724965	TPSA	136
70945	TPSA	34.1
70523	Isotope_Atom_Count	0
9090	Total_Formal_Charge	0
9995236	Mono_Isotopic_Weight	303.99597
41331	Mono_Isotopic_Weight	144.04225873
11632418	Isotope_Atom_Count	0
5225	Hydrogen_Bond_Acceptor_Count	8
24642	Defined_Atom_Stereo_Count	0
24866515	Hydrogen_Bond_Acceptor_Count	7
82593565	Isotope_Atom_Count	0
46783232	Covalent_Unit_Count	2
50878566	Tautomer_Count	3
637892	Defined_Atom_Stereo_Count	0
6318	Exact_Mass	155.9978071
11091168	Defined_Bond_Stereo_Count	0
10180799	Non-hydrogen_Atom_Count	30
23629997	Exact_Mass	390.18042397
57484773	Molecular_Weight	94.15
19702729	TPSA	61.1
135566371	Hydrogen_Bond_Acceptor_Count	8
44590341	Hydrogen_Bond_Acceptor_Count	5
11159621	Tautomer_Count	23
175540	Exact_Mass	266.16304257
509147	Isotope_Atom_Count	0
56663566	Mono_Isotopic_Weight	541.1662866
59855086	Exact_Mass	113.058911855
21560064	Molecular_Weight	111.18
6198	Structure_Complexity	186
68490094	Hydrogen_Bond_Donor_Count	2
46944253	Molecular_Weight	468.2
51030987	Mono_Isotopic_Weight	418.18657197
11197171	Isotope_Atom_Count	0
5283338	Defined_Atom_Stereo_Count	0
7007	Molecular_Weight	267.5
55342	Defined_Bond_Stereo_Count	0
23385063	Total_Formal_Charge	0
81278	Defined_Bond_Stereo_Count	0
67520	Exact_Mass	81.032697108
17355	Rotatable_Bond_Count	3
10170	Structure_Complexity	963
3035218	Hydrogen_Bond_Donor_Count	7
72160	Mono_Isotopic_Weight	330.13501712
23721629	TPSA	60.4
5107724	Total_Formal_Charge	0
168924	Isotope_Atom_Count	0
6540277	Defined_Bond_Stereo_Count	0
641385	Exact_Mass	453.02218945
12524130	Mono_Isotopic_Weight	110.073164938
609492	Total_Formal_Charge	0
137075	Covalent_Unit_Count	1
4592	Molecular_Weight	298.34
3413278	Isotope_Atom_Count	0
7915	Covalent_Unit_Count	1
23672325	Defined_Atom_Stereo_Count	0
22985	Undefined_Bond_Stereo_Count	0
22617391	Defined_Atom_Stereo_Count	0
516875	Undefined_Atom_Stereo_Count	0
67631	Isotope_Atom_Count	0
6323491	Molecular_Weight	364.8
460602	Molecular_Weight	495.6
12830793	Rotatable_Bond_Count	1
5311447	Isotope_Atom_Count	0
1281	Defined_Bond_Stereo_Count	0
135423792	Defined_Bond_Stereo_Count	0
55300789	Defined_Atom_Stereo_Count	0
74839	Non-hydrogen_Atom_Count	15
10952	Mono_Isotopic_Weight	118.0549280
173612	Rotatable_Bond_Count	5
520445	Non-hydrogen_Atom_Count	8
5281416	Undefined_Atom_Stereo_Count	0
651092	Defined_Bond_Stereo_Count	0
139914554	Exact_Mass	116.083729621
3110	Undefined_Atom_Stereo_Count	0
59539	Undefined_Atom_Stereo_Count	0
5463081	TPSA	0
9416	Tautomer_Count	5
274080	Isotope_Atom_Count	0
67643801	Defined_Atom_Stereo_Count	0
57403867	Undefined_Bond_Stereo_Count	0
5367412	Mono_Isotopic_Weight	150.140850574
9903853	Total_Formal_Charge	0
1714329	Rotatable_Bond_Count	0
9571109	XLogP3-AA	3.3
5368821	Tautomer_Count	1
98003	Hydrogen_Bond_Acceptor_Count	2
55250	Exact_Mass	376.14567842
13399110	Undefined_Bond_Stereo_Count	0
21622	XLogP3-AA	2
69085431	Undefined_Bond_Stereo_Count	0
6399259	Exact_Mass	413.04637556
53754520	Defined_Bond_Stereo_Count	0
44338969	Hydrogen_Bond_Acceptor_Count	8
520527	Total_Formal_Charge	0
2132	Rotatable_Bond_Count	3
669019	TPSA	54.6
3798	Exact_Mass	281.116426730
464036	Defined_Bond_Stereo_Count	0
20949	Isotope_Atom_Count	0
104849	Hydrogen_Bond_Donor_Count	2
98097	Exact_Mass	226.099379685
439583	TPSA	110
9802673	Undefined_Atom_Stereo_Count	0
6335436	Mono_Isotopic_Weight	346.00545
72286622	Rotatable_Bond_Count	3
94508	Defined_Atom_Stereo_Count	0
14120372	Covalent_Unit_Count	1
9897412	Undefined_Bond_Stereo_Count	0
10239891	Hydrogen_Bond_Acceptor_Count	11
47466	XLogP3-AA	4.3
142859	Undefined_Atom_Stereo_Count	0
62517	Mono_Isotopic_Weight	576.156552
969516	Defined_Atom_Stereo_Count	0
14276	Molecular_Weight	113.20
118910268	Structure_Complexity	1110
6476	Undefined_Bond_Stereo_Count	0
104955	Hydrogen_Bond_Donor_Count	1
129738943	Hydrogen_Bond_Acceptor_Count	2
751	TPSA	57.5
5284603	Undefined_Bond_Stereo_Count	0
81811	Undefined_Atom_Stereo_Count	0
443239	Non-hydrogen_Atom_Count	10
6519	Hydrogen_Bond_Donor_Count	4
44395178	Mono_Isotopic_Weight	477.1567673
66002	Covalent_Unit_Count	1
3335	Total_Formal_Charge	0
28264	Isotope_Atom_Count	0
9033	Undefined_Bond_Stereo_Count	0
25051993	TPSA	53.7
20542700	Total_Formal_Charge	0
9870652	XLogP3-AA	3.5
1132	Total_Formal_Charge	1
44792	Mono_Isotopic_Weight	173.177964357
139135915	Covalent_Unit_Count	1
9859094	TPSA	0
54698175	Structure_Complexity	915
12309467	Non-hydrogen_Atom_Count	19
4685	Molecular_Weight	147.00
5744	Exact_Mass	404.21988874
101094784	XLogP3-AA	2.7
86599	Hydrogen_Bond_Acceptor_Count	3
2829432	Undefined_Bond_Stereo_Count	0
58	Non-hydrogen_Atom_Count	7
734033	TPSA	40.6
125286696	Defined_Bond_Stereo_Count	2
865974	Undefined_Bond_Stereo_Count	0
61892972	Structure_Complexity	76.2
4394	Exact_Mass	456.27365564
6263	Structure_Complexity	45.5
47151	Defined_Bond_Stereo_Count	0
16767502	Defined_Atom_Stereo_Count	0
5311426	Defined_Atom_Stereo_Count	0
182176	XLogP3	0.3
8136	Hydrogen_Bond_Donor_Count	0
2199	Non-hydrogen_Atom_Count	19
41990	Undefined_Bond_Stereo_Count	0
10486803	Isotope_Atom_Count	0
72196309	Undefined_Atom_Stereo_Count	1
6498	Mono_Isotopic_Weight	118.00885060
444182	Undefined_Bond_Stereo_Count	0
44755146	TPSA	117
23629960	Mono_Isotopic_Weight	368.15968852
9839190	Isotope_Atom_Count	0
50925541	Mono_Isotopic_Weight	405.1277759
81485	TPSA	99.9
282471	Undefined_Bond_Stereo_Count	0
20585	Defined_Bond_Stereo_Count	0
62961	Non-hydrogen_Atom_Count	33
1356	TPSA	147
536549	Undefined_Atom_Stereo_Count	1
2958	Undefined_Atom_Stereo_Count	6
10953427	Mono_Isotopic_Weight	91.042199164
31477	Rotatable_Bond_Count	8
57398256	Covalent_Unit_Count	1
101461666	Exact_Mass	330.03191198
13020083	Isotope_Atom_Count	0
13104807	Undefined_Bond_Stereo_Count	0
154141939	Hydrogen_Bond_Acceptor_Count	3
69676	Rotatable_Bond_Count	1
454155	Molecular_Weight	292.4
15004989	Undefined_Atom_Stereo_Count	1
535722	Hydrogen_Bond_Acceptor_Count	1
75881	XLogP3-AA	1.5
97171	Hydrogen_Bond_Acceptor_Count	3
71310692	TPSA	60.7
53257735	Isotope_Atom_Count	0
16058752	Rotatable_Bond_Count	4
99057	Hydrogen_Bond_Donor_Count	3
20591	Molecular_Weight	151.16
735319	Rotatable_Bond_Count	1
66316	Mono_Isotopic_Weight	204.078644241
447700	Exact_Mass	426.0650312
910	Rotatable_Bond_Count	5
440927	Defined_Bond_Stereo_Count	0
25195	Total_Formal_Charge	0
242493	Isotope_Atom_Count	0
4059	Covalent_Unit_Count	1
11234	Mono_Isotopic_Weight	257.10282436
129010022	TPSA	158
57395613	Isotope_Atom_Count	0
220	Molecular_Weight	261.28
4501	Mono_Isotopic_Weight	348.12358306
991	XLogP3	3.8
90181814	Total_Formal_Charge	0
88024860	Total_Formal_Charge	0
154257	Mono_Isotopic_Weight	470.25694295
2904	Mono_Isotopic_Weight	379.0427261
86916	Total_Formal_Charge	0
75358112	Rotatable_Bond_Count	6
50942697	Structure_Complexity	710
11656753	Undefined_Bond_Stereo_Count	0
78382	Exact_Mass	178.05646950
135981362	Exact_Mass	410.18417193
242082	Structure_Complexity	119
73313	Mono_Isotopic_Weight	184.04840674
123328983	Undefined_Bond_Stereo_Count	0
5342002	Undefined_Atom_Stereo_Count	0
71571522	Undefined_Bond_Stereo_Count	0
5462951	Covalent_Unit_Count	1
134692189	Exact_Mass	827.46672049
88314154	Defined_Atom_Stereo_Count	0
21590468	Isotope_Atom_Count	0
1343	Exact_Mass	226.05897142
92745	XLogP3-AA	4.4
10962	Defined_Bond_Stereo_Count	0
19879	Molecular_Weight	234.28
165360243	Undefined_Atom_Stereo_Count	0
7452	Defined_Bond_Stereo_Count	0
5743	Total_Formal_Charge	0
77152	Covalent_Unit_Count	1
5281701	Isotope_Atom_Count	0
15480	Rotatable_Bond_Count	0
11480402	Undefined_Bond_Stereo_Count	0
37243	Isotope_Atom_Count	0
130002904	Hydrogen_Bond_Acceptor_Count	2
71583603	Undefined_Bond_Stereo_Count	0
63403	Defined_Bond_Stereo_Count	0
12291	XLogP3	1.3
18530	Total_Formal_Charge	0
2752588	Defined_Bond_Stereo_Count	0
22760862	Isotope_Atom_Count	0
95433	Undefined_Bond_Stereo_Count	0
113917	Non-hydrogen_Atom_Count	23
151318	Hydrogen_Bond_Acceptor_Count	3
156838775	Rotatable_Bond_Count	0
119083105	Molecular_Weight	107.11
71353	Hydrogen_Bond_Acceptor_Count	2
29084	Isotope_Atom_Count	0
2604	Non-hydrogen_Atom_Count	20
67482131	Non-hydrogen_Atom_Count	28
44211	Defined_Atom_Stereo_Count	0
448965	TPSA	97.3
6114	Hydrogen_Bond_Donor_Count	0
2723598	Tautomer_Count	2
75320	Structure_Complexity	176
58190401	Undefined_Atom_Stereo_Count	0
521716	Structure_Complexity	360
11364421	Undefined_Bond_Stereo_Count	0
30489	Hydrogen_Bond_Acceptor_Count	1
57397762	Defined_Bond_Stereo_Count	0
9548659	Isotope_Atom_Count	0
24860971	Structure_Complexity	410
70278898	Isotope_Atom_Count	0
11447	Hydrogen_Bond_Acceptor_Count	0
451187	Hydrogen_Bond_Donor_Count	5
61138	Hydrogen_Bond_Acceptor_Count	2
5318289	Undefined_Atom_Stereo_Count	0
62010	Mono_Isotopic_Weight	101.084063974
548282	Non-hydrogen_Atom_Count	16
6437079	Tautomer_Count	1
55212037	Hydrogen_Bond_Acceptor_Count	4
10238746	Isotope_Atom_Count	0
21044269	Isotope_Atom_Count	0
8061	XLogP3	1.1
10811	Rotatable_Bond_Count	4
142796	Structure_Complexity	67.7
15347	Hydrogen_Bond_Acceptor_Count	2
53903478	Rotatable_Bond_Count	1
100925187	Isotope_Atom_Count	0
27284	Structure_Complexity	0
439544	Rotatable_Bond_Count	6
46324	Rotatable_Bond_Count	7
439243	TPSA	842
60156	Hydrogen_Bond_Acceptor_Count	4
5002	Hydrogen_Bond_Acceptor_Count	5
446987	Defined_Bond_Stereo_Count	0
72493	Undefined_Atom_Stereo_Count	0
54435026	Structure_Complexity	66.5
11727234	Mono_Isotopic_Weight	330.03756727
130013569	Non-hydrogen_Atom_Count	8
12031310	Defined_Bond_Stereo_Count	0
667449	Molecular_Weight	324.4
20465494	Structure_Complexity	84.1
6323236	Defined_Bond_Stereo_Count	3
12435	Tautomer_Count	2
5280981	Molecular_Weight	222.17
6817	Defined_Bond_Stereo_Count	0
5284343	Mono_Isotopic_Weight	307.962121
25608	Total_Formal_Charge	0
551185	Total_Formal_Charge	0
12251	Mono_Isotopic_Weight	90.031694049
86088606	Exact_Mass	112.052429494
35076	TPSA	88.8
362413	Non-hydrogen_Atom_Count	19
69656	Non-hydrogen_Atom_Count	6
18361854	Non-hydrogen_Atom_Count	7
17326	Covalent_Unit_Count	1
6440982	Hydrogen_Bond_Donor_Count	5
84305	Defined_Bond_Stereo_Count	0
102846	XLogP3-AA	1.9
1638753	Molecular_Weight	180.23
62155	Mono_Isotopic_Weight	354.04901859
2582	Rotatable_Bond_Count	5
477698	Defined_Atom_Stereo_Count	0
5288811	Undefined_Bond_Stereo_Count	0
443391	Undefined_Atom_Stereo_Count	0
5651	Defined_Atom_Stereo_Count	0
12200971	Mono_Isotopic_Weight	117.078978594
17697	Non-hydrogen_Atom_Count	16
213049	Molecular_Weight	465.4
70682976	Mono_Isotopic_Weight	336.14739250
208923	Covalent_Unit_Count	1
5352771	Exact_Mass	292.240230259
156326	Structure_Complexity	363
21030991	Molecular_Weight	112.09
12634653	XLogP3-AA	1.9
12697736	XLogP3-AA	0.6
18392	Isotope_Atom_Count	0
9571009	Isotope_Atom_Count	0
6332	Rotatable_Bond_Count	0
101210282	Undefined_Bond_Stereo_Count	0
137724	Mono_Isotopic_Weight	110.109550447
139062655	Defined_Bond_Stereo_Count	0
129816	Structure_Complexity	567
23725174	Covalent_Unit_Count	1
20056828	Hydrogen_Bond_Acceptor_Count	18
342570	Undefined_Bond_Stereo_Count	0
56120	Non-hydrogen_Atom_Count	18
54307258	Mono_Isotopic_Weight	102.079312947
738244	Non-hydrogen_Atom_Count	15
441923	Isotope_Atom_Count	0
23506090	Exact_Mass	111.02958362
6433339	TPSA	9.2
12777	Non-hydrogen_Atom_Count	10
83390	Isotope_Atom_Count	0
53237109	Mono_Isotopic_Weight	415.262362685
688570	Structure_Complexity	284
135398727	Structure_Complexity	598
16219856	Total_Formal_Charge	0
33874	Hydrogen_Bond_Donor_Count	2
19601345	Mono_Isotopic_Weight	87.068413911
57082	Exact_Mass	289.16779360
6537493	Mono_Isotopic_Weight	867.49802062
90916291	Hydrogen_Bond_Donor_Count	1
9115	Hydrogen_Bond_Donor_Count	0
91514136	Structure_Complexity	86.1
56769	TPSA	0
22149470	Covalent_Unit_Count	1
1342	Molecular_Weight	212.29
371715	Hydrogen_Bond_Donor_Count	1
74561	Hydrogen_Bond_Donor_Count	2
518964	Hydrogen_Bond_Donor_Count	0
448126	Defined_Atom_Stereo_Count	3
4145140	TPSA	63.3
88267	Undefined_Bond_Stereo_Count	0
13653621	TPSA	81
11846570	Rotatable_Bond_Count	12
893322	Isotope_Atom_Count	0
9796	Isotope_Atom_Count	0
101743775	Hydrogen_Bond_Acceptor_Count	7
46174453	Mono_Isotopic_Weight	301.0782389
131159598	Mono_Isotopic_Weight	112.088815002
106312	Exact_Mass	176.10485899
129669570	Total_Formal_Charge	0
6420039	Isotope_Atom_Count	0
551188	Undefined_Bond_Stereo_Count	0
13602	Defined_Atom_Stereo_Count	0
89121960	Total_Formal_Charge	0
108147	Structure_Complexity	1450
422780	Hydrogen_Bond_Donor_Count	2
23587237	Defined_Atom_Stereo_Count	0
8129	Molecular_Weight	116.20
937394	Total_Formal_Charge	0
56663566	Non-hydrogen_Atom_Count	37
1578	Non-hydrogen_Atom_Count	16
319701	Structure_Complexity	743
69444	TPSA	7.1
520277	XLogP3-AA	2.1
119036	Structure_Complexity	99.3
56654130	Non-hydrogen_Atom_Count	36
44237243	Non-hydrogen_Atom_Count	23
313215	Covalent_Unit_Count	1
70967	Rotatable_Bond_Count	1
22147963	Structure_Complexity	133
24900751	Non-hydrogen_Atom_Count	35
71449972	Total_Formal_Charge	0
41463	XLogP3-AA	6.6
11952498	Isotope_Atom_Count	0
637997	Hydrogen_Bond_Donor_Count	1
20138187	Isotope_Atom_Count	0
155817470	Undefined_Bond_Stereo_Count	0
130443288	Structure_Complexity	2330
144161560	Exact_Mass	97.052763847
153380590	Mono_Isotopic_Weight	115.099714038
22395644	Total_Formal_Charge	0
71679411	Isotope_Atom_Count	3
53326698	Hydrogen_Bond_Acceptor_Count	8
11716665	Undefined_Atom_Stereo_Count	0
5423	Structure_Complexity	303
153683405	Total_Formal_Charge	0
6455792	Non-hydrogen_Atom_Count	8
72886	Molecular_Weight	169.16
99271	Hydrogen_Bond_Acceptor_Count	1
99960	Structure_Complexity	272
9989224	Tautomer_Count	4
134018	Mono_Isotopic_Weight	316.08816355
49866524	Hydrogen_Bond_Donor_Count	1
1318	Structure_Complexity	183
443003	Non-hydrogen_Atom_Count	13
123159366	Hydrogen_Bond_Donor_Count	0
123934238	Molecular_Weight	114.14
2913	Covalent_Unit_Count	1
92536013	Molecular_Weight	370.5
75747	Defined_Atom_Stereo_Count	0
46885189	XLogP3-AA	3
6098	Covalent_Unit_Count	1
45157475	Mono_Isotopic_Weight	585.24777486
88483174	Undefined_Atom_Stereo_Count	1
10784	Defined_Bond_Stereo_Count	0
46783224	Undefined_Atom_Stereo_Count	4
32249	Total_Formal_Charge	0
127382	TPSA	92.7
19067730	Undefined_Atom_Stereo_Count	0
59164	Mono_Isotopic_Weight	377.14092740
57398150	Non-hydrogen_Atom_Count	26
91411400	TPSA	59.2
12393928	Rotatable_Bond_Count	1
89027503	Structure_Complexity	122
4898	Total_Formal_Charge	0
85774373	Exact_Mass	112.088815002
94508	XLogP3-AA	2.2
78241	Isotope_Atom_Count	0
1609	Defined_Bond_Stereo_Count	0
12878836	Hydrogen_Bond_Donor_Count	1
21943994	Molecular_Weight	690.8
23618458	Molecular_Weight	279.28
65863	Hydrogen_Bond_Acceptor_Count	3
40605	Structure_Complexity	347
30844	Total_Formal_Charge	0
70884982	Total_Formal_Charge	0
34468	Hydrogen_Bond_Acceptor_Count	9
1201549	Structure_Complexity	340
23338787	Total_Formal_Charge	0
6677	Rotatable_Bond_Count	1
156963699	Isotope_Atom_Count	0
45051637	Rotatable_Bond_Count	0
8906	Total_Formal_Charge	0
5323974	Total_Formal_Charge	0
12836760	Defined_Bond_Stereo_Count	0
122672156	TPSA	52.1
18851	Total_Formal_Charge	0
10270986	Mono_Isotopic_Weight	378.13146766
10314851	Defined_Atom_Stereo_Count	0
94647	TPSA	12.9
12409173	Molecular_Weight	110.15
9923162	XLogP3-AA	2.3
24860538	Hydrogen_Bond_Donor_Count	0
403648	Total_Formal_Charge	0
17860	Mono_Isotopic_Weight	177.126597491
4711	Undefined_Bond_Stereo_Count	0
16969	Non-hydrogen_Atom_Count	9
15257197	Tautomer_Count	1
4993	Hydrogen_Bond_Donor_Count	2
84930	Isotope_Atom_Count	0
11075477	Defined_Atom_Stereo_Count	0
20764655	Mono_Isotopic_Weight	94.078250319
10912274	Undefined_Atom_Stereo_Count	0
19077552	Exact_Mass	303.162314293
11953808	Rotatable_Bond_Count	10
71309908	Hydrogen_Bond_Acceptor_Count	6
53903667	Structure_Complexity	93.2
132035918	Rotatable_Bond_Count	0
6423	Undefined_Atom_Stereo_Count	0
6604910	Mono_Isotopic_Weight	292.121177757
71718495	Molecular_Weight	661.7
4737029	Undefined_Bond_Stereo_Count	0
1100	Covalent_Unit_Count	1
9838	Hydrogen_Bond_Donor_Count	0
8197	Defined_Atom_Stereo_Count	0
16560	Total_Formal_Charge	0
9543528	Isotope_Atom_Count	0
93321	Non-hydrogen_Atom_Count	24
13625	Hydrogen_Bond_Acceptor_Count	2
31193	Molecular_Weight	112.41
44571105	Isotope_Atom_Count	0
72736	Rotatable_Bond_Count	12
22866	Defined_Bond_Stereo_Count	0
19816560	Undefined_Atom_Stereo_Count	1
10399	Covalent_Unit_Count	1
136053758	Undefined_Bond_Stereo_Count	1
10659	Non-hydrogen_Atom_Count	16
72429	TPSA	169
4168142	Rotatable_Bond_Count	8
55281352	Non-hydrogen_Atom_Count	6
16130278	Non-hydrogen_Atom_Count	114
148466782	Mono_Isotopic_Weight	113.084063974
49773361	Defined_Atom_Stereo_Count	2
135398675	Tautomer_Count	18
449392	Rotatable_Bond_Count	4
66663660	TPSA	45.4
135747268	Exact_Mass	172.0403406
26033	Undefined_Bond_Stereo_Count	0
56120	Exact_Mass	292.0017622
674917	TPSA	38.3
66737	Rotatable_Bond_Count	1
758	Hydrogen_Bond_Acceptor_Count	31
20325315	Total_Formal_Charge	0
2124	Undefined_Bond_Stereo_Count	0
1960	Undefined_Bond_Stereo_Count	0
13327302	Covalent_Unit_Count	1
18382	Mono_Isotopic_Weight	268.1342410
86472	Defined_Bond_Stereo_Count	0
2106909	Non-hydrogen_Atom_Count	8
134167153	Non-hydrogen_Atom_Count	47
60196403	Structure_Complexity	405
21625926	Non-hydrogen_Atom_Count	7
70688149	Covalent_Unit_Count	1
9885850	Hydrogen_Bond_Donor_Count	1
10084648	Rotatable_Bond_Count	4
821629	Tautomer_Count	1
5356785	Mono_Isotopic_Weight	180.093900383
71309	Mono_Isotopic_Weight	523.02901142
31249	Rotatable_Bond_Count	7
44093	Hydrogen_Bond_Donor_Count	2
101080369	Structure_Complexity	2.8
118897473	Hydrogen_Bond_Acceptor_Count	3
736155	Undefined_Atom_Stereo_Count	0
23667657	Exact_Mass	435.9556460
129734999	Non-hydrogen_Atom_Count	476
5327067	Total_Formal_Charge	0
18506387	TPSA	53
7367	Non-hydrogen_Atom_Count	10
5354264	Total_Formal_Charge	0
1416277	Defined_Atom_Stereo_Count	0
94215	Tautomer_Count	1
71587288	Non-hydrogen_Atom_Count	33
34956	Total_Formal_Charge	0
845	Molecular_Weight	221.15
7549	Tautomer_Count	1
94217	Undefined_Atom_Stereo_Count	3
81577	Tautomer_Count	1
49856296	Hydrogen_Bond_Donor_Count	2
980806	Exact_Mass	426.0917247
27368	Covalent_Unit_Count	1
20058	Total_Formal_Charge	0
14341511	XLogP3-AA	0.2
9868452	Defined_Atom_Stereo_Count	2
219101	Isotope_Atom_Count	0
140069478	Molecular_Weight	110.15
78422638	XLogP3	2.8
12184591	Undefined_Atom_Stereo_Count	0
75769	Covalent_Unit_Count	1
154	Total_Formal_Charge	0
6713754	Molecular_Weight	303.35
5281522	Tautomer_Count	1
123467456	Non-hydrogen_Atom_Count	8
58544	TPSA	33.6
9809002	Hydrogen_Bond_Acceptor_Count	6
2347	Mono_Isotopic_Weight	312.13615911
16449	Molecular_Weight	233.10
66545742	Mono_Isotopic_Weight	241.121512110
316542	Rotatable_Bond_Count	3
12567910	Hydrogen_Bond_Donor_Count	2
57750315	Total_Formal_Charge	0
49853406	Undefined_Bond_Stereo_Count	0
145712239	Structure_Complexity	1120
10985889	Hydrogen_Bond_Acceptor_Count	0
11358077	Total_Formal_Charge	0
445643	Hydrogen_Bond_Donor_Count	3
3080719	Isotope_Atom_Count	0
69242	TPSA	0
5388962	Non-hydrogen_Atom_Count	27
10473927	Isotope_Atom_Count	0
114994	Defined_Atom_Stereo_Count	0
17455	Exact_Mass	394.19556569
47318	Hydrogen_Bond_Acceptor_Count	5
151174	Structure_Complexity	962
21930812	TPSA	50.1
4692	Exact_Mass	248.14124450
54106053	Molecular_Weight	114.14
281888	Tautomer_Count	1
4427	Non-hydrogen_Atom_Count	21
17561	Rotatable_Bond_Count	2
68529525	Defined_Atom_Stereo_Count	0
78853	Undefined_Bond_Stereo_Count	0
87187801	Rotatable_Bond_Count	2
14470	Mono_Isotopic_Weight	87.068413911
9230	Tautomer_Count	1
68979856	Hydrogen_Bond_Acceptor_Count	3
73093	Tautomer_Count	3
56436	Mono_Isotopic_Weight	367.18959167
30858	TPSA	46.5
14536436	Rotatable_Bond_Count	0
74405857	Mono_Isotopic_Weight	366.05554326
30819	Total_Formal_Charge	0
71713951	Non-hydrogen_Atom_Count	24
134780	Non-hydrogen_Atom_Count	20
13693091	Exact_Mass	112.088815002
67058	TPSA	55
6295	Covalent_Unit_Count	1
6442439	Isotope_Atom_Count	0
91755	TPSA	38.3
26877	Structure_Complexity	835
8667	Defined_Bond_Stereo_Count	0
6009	TPSA	26.8
10862733	Rotatable_Bond_Count	0
19957	Covalent_Unit_Count	1
69967	Tautomer_Count	1
19965	Mono_Isotopic_Weight	96.093900383
443156	Defined_Atom_Stereo_Count	2
13275542	Defined_Atom_Stereo_Count	0
123555270	XLogP3-AA	2.8
667497	Hydrogen_Bond_Acceptor_Count	2
129674572	Hydrogen_Bond_Acceptor_Count	3
92155	Total_Formal_Charge	0
78435478	TPSA	50.8
20140931	Covalent_Unit_Count	1
67763895	Defined_Atom_Stereo_Count	0
56638112	Molecular_Weight	258.27
1471380	Rotatable_Bond_Count	4
637776	TPSA	18.5
65573725	Hydrogen_Bond_Acceptor_Count	2
60561	Covalent_Unit_Count	1
3086637	Structure_Complexity	750
22398442	Structure_Complexity	161
68343	Mono_Isotopic_Weight	200.0174972
62275	Undefined_Atom_Stereo_Count	0
35717	Hydrogen_Bond_Acceptor_Count	6
46631	Tautomer_Count	1
54548956	Exact_Mass	112.063662883
21139953	Hydrogen_Bond_Acceptor_Count	2
4708	Rotatable_Bond_Count	4
21093792	TPSA	90.9
18868	Undefined_Atom_Stereo_Count	0
96129	Total_Formal_Charge	0
246476	Hydrogen_Bond_Acceptor_Count	9
8111	Exact_Mass	103.110947427
97702	Defined_Atom_Stereo_Count	0
3342768	Hydrogen_Bond_Acceptor_Count	13
129789506	Structure_Complexity	126
5458497	XLogP3-AA	0.4
63855	Covalent_Unit_Count	1
627734	Undefined_Bond_Stereo_Count	0
24405	Tautomer_Count	3
23368	Mono_Isotopic_Weight	230.15180918
14300	Defined_Bond_Stereo_Count	0
47898	Undefined_Bond_Stereo_Count	0
68805	Undefined_Atom_Stereo_Count	1
101821629	Mono_Isotopic_Weight	127.964803
74746	Isotope_Atom_Count	0
5282398	Total_Formal_Charge	0
131673845	Hydrogen_Bond_Acceptor_Count	28
66383	Covalent_Unit_Count	2
15690	Covalent_Unit_Count	1
12367	Tautomer_Count	1
118285	Hydrogen_Bond_Donor_Count	2
121596237	Defined_Atom_Stereo_Count	0
11208660	Isotope_Atom_Count	0
25167777	Non-hydrogen_Atom_Count	36
58463204	Undefined_Bond_Stereo_Count	0
5352728	Structure_Complexity	90.9
13576	Mono_Isotopic_Weight	156.151415257
21867906	Rotatable_Bond_Count	3
352114	Undefined_Atom_Stereo_Count	1
3032396	XLogP3-AA	1.3
13253262	TPSA	29.6
284024	Undefined_Atom_Stereo_Count	1
445715	Undefined_Bond_Stereo_Count	0
23675947	Rotatable_Bond_Count	5
11550005	Isotope_Atom_Count	0
69046	Molecular_Weight	277.3
12349940	Hydrogen_Bond_Donor_Count	0
23397	Hydrogen_Bond_Acceptor_Count	2
4821	Total_Formal_Charge	0
441141	Covalent_Unit_Count	1
63274	Isotope_Atom_Count	0
59296039	Covalent_Unit_Count	1
129456	Non-hydrogen_Atom_Count	13
530132	Mono_Isotopic_Weight	217.092290636
9883104	Structure_Complexity	270
2588	Structure_Complexity	1070
80385	Total_Formal_Charge	0
271553	Molecular_Weight	165.62
154689	Hydrogen_Bond_Acceptor_Count	4
439551	XLogP3	0.2
10941315	Isotope_Atom_Count	0
4042	Defined_Atom_Stereo_Count	0
20200448	Total_Formal_Charge	0
6436	Undefined_Bond_Stereo_Count	0
71113	Hydrogen_Bond_Donor_Count	1
53973981	Undefined_Atom_Stereo_Count	1
23079599	Defined_Atom_Stereo_Count	0
8672	TPSA	64.9
9809002	Molecular_Weight	608.6
13046622	Hydrogen_Bond_Acceptor_Count	1
24367	Total_Formal_Charge	0
88095	Molecular_Weight	162.14
136231689	Total_Formal_Charge	0
58137137	XLogP3-AA	0.3
54493643	Defined_Atom_Stereo_Count	0
135439051	Defined_Atom_Stereo_Count	0
267769	TPSA	29.5
11321894	Isotope_Atom_Count	0
822	Isotope_Atom_Count	0
58612101	Total_Formal_Charge	0
612499	Molecular_Weight	260.30
610072	Defined_Bond_Stereo_Count	0
22181493	Molecular_Weight	96.13
12594	Covalent_Unit_Count	1
69885	Defined_Atom_Stereo_Count	0
57037620	XLogP3-AA	0.6
46889118	Rotatable_Bond_Count	5
439192	Isotope_Atom_Count	0
165857173	Undefined_Bond_Stereo_Count	0
14491	Hydrogen_Bond_Acceptor_Count	2
23693089	Defined_Bond_Stereo_Count	0
24847884	Molecular_Weight	573.7
153254665	TPSA	3
667497	Molecular_Weight	210.32
537387	Hydrogen_Bond_Donor_Count	0
21908889	TPSA	92.8
22356182	XLogP3-AA	0.5
15741339	Hydrogen_Bond_Acceptor_Count	1
4692287	XLogP3	3.9
22091031	Covalent_Unit_Count	1
10813807	XLogP3-AA	1
21285	Mono_Isotopic_Weight	229.0425048
7180	Undefined_Bond_Stereo_Count	0
74242	Rotatable_Bond_Count	1
66912	Rotatable_Bond_Count	6
638049	XLogP3-AA	2.8
2129427	Non-hydrogen_Atom_Count	23
171227	Undefined_Atom_Stereo_Count	0
140083	Undefined_Bond_Stereo_Count	0
520902	Undefined_Atom_Stereo_Count	0
23114997	XLogP3-AA	1.3
101136808	Hydrogen_Bond_Acceptor_Count	35
2756	Hydrogen_Bond_Acceptor_Count	4
18016	Isotope_Atom_Count	0
82730	Rotatable_Bond_Count	3
2522	Non-hydrogen_Atom_Count	30
44310707	Hydrogen_Bond_Donor_Count	1
163468867	Mono_Isotopic_Weight	114.068079557
9623	Defined_Atom_Stereo_Count	0
11631662	Rotatable_Bond_Count	5
44452442	TPSA	87.7
12309467	Total_Formal_Charge	0
16118392	Molecular_Weight	633.7
12395	Non-hydrogen_Atom_Count	16
71357579	Non-hydrogen_Atom_Count	8
5464084	Total_Formal_Charge	0
137530132	Undefined_Bond_Stereo_Count	0
62545	Mono_Isotopic_Weight	308.12732577
447545	Mono_Isotopic_Weight	659.20027549
265	Undefined_Bond_Stereo_Count	0
10454	XLogP3-AA	1.3
450598	Undefined_Bond_Stereo_Count	0
11419776	Structure_Complexity	608
60196386	Covalent_Unit_Count	2
15885752	Rotatable_Bond_Count	2
30175	Undefined_Atom_Stereo_Count	0
23668194	Mono_Isotopic_Weight	430.26951862
419293	Hydrogen_Bond_Acceptor_Count	2
55958	Defined_Atom_Stereo_Count	0
6325610	Molecular_Weight	318.3
155977656	Hydrogen_Bond_Acceptor_Count	10
923638	Defined_Bond_Stereo_Count	1
55973	Rotatable_Bond_Count	0
96859	Undefined_Bond_Stereo_Count	0
77012	Structure_Complexity	639
448925	Defined_Atom_Stereo_Count	10
503760	Isotope_Atom_Count	0
4426	Structure_Complexity	841
2782524	Undefined_Atom_Stereo_Count	0
25217475	Hydrogen_Bond_Donor_Count	7
66249	Non-hydrogen_Atom_Count	39
24196	Molecular_Weight	225.33
9794712	Rotatable_Bond_Count	6
123415454	Covalent_Unit_Count	1
448653	Defined_Bond_Stereo_Count	2
1329	Structure_Complexity	436
919	Structure_Complexity	265
13587089	Isotope_Atom_Count	0
5473268	Total_Formal_Charge	0
9843744	Covalent_Unit_Count	1
53359023	Undefined_Bond_Stereo_Count	0
84976	TPSA	103
91864743	Mono_Isotopic_Weight	521.8583111
3781742	Isotope_Atom_Count	0
68416	Molecular_Weight	287.11
11029756	Total_Formal_Charge	0
9811611	Rotatable_Bond_Count	10
11546947	Molecular_Weight	453.0
60165655	Rotatable_Bond_Count	5
123165994	Defined_Atom_Stereo_Count	0
14179013	Tautomer_Count	1
167195	Non-hydrogen_Atom_Count	1
666673	Defined_Bond_Stereo_Count	0
129826699	Molecular_Weight	342.30
20494989	Defined_Atom_Stereo_Count	0
23551636	Total_Formal_Charge	0
101915880	Exact_Mass	528.9651382
47364	Non-hydrogen_Atom_Count	8
647840	Hydrogen_Bond_Acceptor_Count	6
10246701	Mono_Isotopic_Weight	341.17394160
2560481	XLogP3-AA	0.1
91694113	Molecular_Weight	242.31
6410734	Non-hydrogen_Atom_Count	24
62280	Hydrogen_Bond_Donor_Count	5
52040	Total_Formal_Charge	0
5713976	Undefined_Atom_Stereo_Count	0
5460044	Total_Formal_Charge	0
2858	Non-hydrogen_Atom_Count	61
7658	Defined_Atom_Stereo_Count	0
2734920	Covalent_Unit_Count	1
13052632	Hydrogen_Bond_Donor_Count	2
71820	Total_Formal_Charge	0
27670	Non-hydrogen_Atom_Count	12
80434	Isotope_Atom_Count	0
8359	Isotope_Atom_Count	0
13628993	Hydrogen_Bond_Acceptor_Count	2
11228775	Molecular_Weight	111.14
23635364	Total_Formal_Charge	0
67171867	Hydrogen_Bond_Donor_Count	3
549482	TPSA	17.1
14359030	Molecular_Weight	116.11
5284380	Rotatable_Bond_Count	5
2734168	XLogP3-AA	1.7
249006	Non-hydrogen_Atom_Count	8
5241	Non-hydrogen_Atom_Count	19
3033538	Undefined_Atom_Stereo_Count	0
135935707	Non-hydrogen_Atom_Count	20
54520	Exact_Mass	306.19434270
21576	Exact_Mass	207.08954328
90712721	Undefined_Bond_Stereo_Count	0
20253250	Covalent_Unit_Count	1
14917	Non-hydrogen_Atom_Count	1
6454	Total_Formal_Charge	0
4246	Rotatable_Bond_Count	0
5192	Mono_Isotopic_Weight	202.12050905
51055169	Non-hydrogen_Atom_Count	36
22134026	XLogP3-AA	0
6432906	Mono_Isotopic_Weight	173.964708
71355988	TPSA	9.2
9903970	Structure_Complexity	363
65960	Defined_Atom_Stereo_Count	2
81011	Hydrogen_Bond_Donor_Count	4
11957587	TPSA	170
83826166	Hydrogen_Bond_Donor_Count	0
44552609	Exact_Mass	232.0767261
121489349	Structure_Complexity	4390
71234	Defined_Atom_Stereo_Count	0
421	Rotatable_Bond_Count	7
46781627	Tautomer_Count	1
326240	Non-hydrogen_Atom_Count	37
8336	XLogP3-AA	0
611887	Molecular_Weight	229.27
60196307	Defined_Bond_Stereo_Count	0
46853632	Molecular_Weight	451.5
21723	Defined_Bond_Stereo_Count	0
53939339	TPSA	21.6
72725	Covalent_Unit_Count	1
18989672	Hydrogen_Bond_Acceptor_Count	0
16217359	Rotatable_Bond_Count	0
70691405	Structure_Complexity	560
612499	Undefined_Bond_Stereo_Count	0
21884	Isotope_Atom_Count	0
3237289	Hydrogen_Bond_Donor_Count	0
6441265	Mono_Isotopic_Weight	951.53172079
806	Undefined_Bond_Stereo_Count	0
6917778	Tautomer_Count	1
76959035	Hydrogen_Bond_Acceptor_Count	3
16113753	Undefined_Bond_Stereo_Count	0
978361	Total_Formal_Charge	0
12921228	Undefined_Atom_Stereo_Count	0
86821	Molecular_Weight	414.7
609	Covalent_Unit_Count	1
80376	Non-hydrogen_Atom_Count	6
443118	Covalent_Unit_Count	1
21014990	Defined_Atom_Stereo_Count	0
85489	Molecular_Weight	571.0
10103794	TPSA	110
20100130	Isotope_Atom_Count	0
15034112	Rotatable_Bond_Count	0
5362116	Mono_Isotopic_Weight	452.23112213
5353510	Hydrogen_Bond_Acceptor_Count	10
4724	Molecular_Weight	291.4
15951509	XLogP3-AA	2.4
155907178	TPSA	47.5
12358851	Exact_Mass	243.08552052
575408	Undefined_Bond_Stereo_Count	0
11297955	Rotatable_Bond_Count	1
77781	Structure_Complexity	152
77946	Structure_Complexity	25.1
521158	Hydrogen_Bond_Donor_Count	1
59969	Hydrogen_Bond_Acceptor_Count	3
97127	Defined_Atom_Stereo_Count	0
11519	Isotope_Atom_Count	0
10130220	Covalent_Unit_Count	1
21325329	Exact_Mass	115.099714038
7468	Undefined_Atom_Stereo_Count	0
54587226	Undefined_Bond_Stereo_Count	0
152057	Hydrogen_Bond_Acceptor_Count	3
10059810	Hydrogen_Bond_Donor_Count	3
444913	Covalent_Unit_Count	1
54760130	Exact_Mass	352.16477390
12486	Non-hydrogen_Atom_Count	10
34230	Mono_Isotopic_Weight	724.47616298
18352108	Non-hydrogen_Atom_Count	7
130027214	Undefined_Bond_Stereo_Count	0
49838879	Structure_Complexity	655
23627460	Isotope_Atom_Count	0
2044	XLogP3-AA	4
94180	Mono_Isotopic_Weight	160.109944368
54307	Non-hydrogen_Atom_Count	18
24972597	Rotatable_Bond_Count	1
149514	Structure_Complexity	631
130589021	Rotatable_Bond_Count	2
11407412	Rotatable_Bond_Count	6
7466	Structure_Complexity	125
544553	TPSA	43.4
15559221	Defined_Bond_Stereo_Count	0
148124	Total_Formal_Charge	0
46853873	TPSA	476
362413	Total_Formal_Charge	0
54677470	Molecular_Weight	351.4
18606	Hydrogen_Bond_Donor_Count	0
201538	Defined_Bond_Stereo_Count	0
9809	Covalent_Unit_Count	1
19427	Undefined_Bond_Stereo_Count	0
154171248	Rotatable_Bond_Count	2
10148993	Undefined_Bond_Stereo_Count	0
5702068	Hydrogen_Bond_Donor_Count	2
17928	Rotatable_Bond_Count	0
5486799	Non-hydrogen_Atom_Count	52
53432	Hydrogen_Bond_Acceptor_Count	1
456557	Mono_Isotopic_Weight	495.16014201
165074	Covalent_Unit_Count	1
22932	Undefined_Bond_Stereo_Count	0
85026	TPSA	3.9
57930746	Covalent_Unit_Count	1
10704662	Rotatable_Bond_Count	0
11534927	Hydrogen_Bond_Acceptor_Count	7
10346	Exact_Mass	220.182715385
9547890	Covalent_Unit_Count	1
70308	Defined_Atom_Stereo_Count	0
16559	Undefined_Atom_Stereo_Count	0
15909	Molecular_Weight	146.19
12524	Structure_Complexity	41.5
70697656	Isotope_Atom_Count	0
19782729	Defined_Bond_Stereo_Count	0
139820	Undefined_Atom_Stereo_Count	1
45116669	Hydrogen_Bond_Donor_Count	1
257501	Defined_Atom_Stereo_Count	0
5365794	Mono_Isotopic_Weight	226.193280068
5779	Undefined_Atom_Stereo_Count	1
23409	Mono_Isotopic_Weight	170.048012819
68955386	Covalent_Unit_Count	1
71597391	Total_Formal_Charge	0
36688153	Isotope_Atom_Count	0
151449	Undefined_Bond_Stereo_Count	0
16237	Hydrogen_Bond_Donor_Count	0
95299	Undefined_Atom_Stereo_Count	1
51038316	Isotope_Atom_Count	0
65499	Structure_Complexity	569
40933	Non-hydrogen_Atom_Count	27
73921	Covalent_Unit_Count	1
1832	Structure_Complexity	220
527559	Total_Formal_Charge	0
4660280	Defined_Atom_Stereo_Count	0
3847	Structure_Complexity	224
9473	Undefined_Bond_Stereo_Count	0
10313457	Tautomer_Count	1
417753	Undefined_Atom_Stereo_Count	0
521300	Undefined_Atom_Stereo_Count	0
14464337	TPSA	213
22631092	Undefined_Bond_Stereo_Count	0
68416156	Isotope_Atom_Count	0
4905	Undefined_Atom_Stereo_Count	1
3236	Hydrogen_Bond_Acceptor_Count	2
6537504	Hydrogen_Bond_Acceptor_Count	18
55300028	Structure_Complexity	92.5
12740469	Molecular_Weight	114.14
5311054	Mono_Isotopic_Weight	1154.74992724
86233	Total_Formal_Charge	0
54585738	Hydrogen_Bond_Acceptor_Count	4
1447	Total_Formal_Charge	0
10864881	Structure_Complexity	80.6
3627	Hydrogen_Bond_Acceptor_Count	2
4348	Molecular_Weight	151.21
60943	TPSA	148
12200171	Non-hydrogen_Atom_Count	8
4691	XLogP3-AA	3.5
54728271	Hydrogen_Bond_Donor_Count	2
4914	TPSA	55.6
69845357	Covalent_Unit_Count	1
6778	TPSA	52.6
45784923	Covalent_Unit_Count	1
44338970	Total_Formal_Charge	0
13293131	Exact_Mass	109.052763847
92277	Undefined_Bond_Stereo_Count	0
134056	Defined_Bond_Stereo_Count	0
65513	TPSA	210
7337	Isotope_Atom_Count	0
5311201	Structure_Complexity	658
6347	Hydrogen_Bond_Acceptor_Count	2
124068	Hydrogen_Bond_Donor_Count	4
714	Undefined_Atom_Stereo_Count	5
23783	Non-hydrogen_Atom_Count	24
9016	Undefined_Bond_Stereo_Count	0
6101	Mono_Isotopic_Weight	172.01941529
91682	Hydrogen_Bond_Donor_Count	0
65404	Rotatable_Bond_Count	7
2747993	Undefined_Bond_Stereo_Count	0
42540	TPSA	18.5
20581047	Rotatable_Bond_Count	0
57339238	Molecular_Weight	336.21
447029	Rotatable_Bond_Count	2
3032396	Hydrogen_Bond_Acceptor_Count	12
54680695	Isotope_Atom_Count	0
27458	Undefined_Bond_Stereo_Count	0
78739	Hydrogen_Bond_Donor_Count	0
7432	Total_Formal_Charge	0
5053	XLogP3	6.1
2215	Undefined_Bond_Stereo_Count	0
550030	Exact_Mass	138.104465066
18736304	Defined_Atom_Stereo_Count	0
88334	Total_Formal_Charge	0
94396	Structure_Complexity	233
88464430	Non-hydrogen_Atom_Count	8
26470418	Exact_Mass	342.11621151
85658	Molecular_Weight	336.5
18424867	Mono_Isotopic_Weight	101.022526347
9570327	Hydrogen_Bond_Donor_Count	2
91972121	Molecular_Weight	1345.4
10909503	Molecular_Weight	100.16
184822	Tautomer_Count	2
23662383	Structure_Complexity	210
139243814	Exact_Mass	80.053659862
135446210	Undefined_Atom_Stereo_Count	0
71392521	XLogP3-AA	0.1
4066245	Rotatable_Bond_Count	3
3959	Mono_Isotopic_Weight	457.1660879
67850	Undefined_Bond_Stereo_Count	0
118984396	Defined_Bond_Stereo_Count	0
119084740	Hydrogen_Bond_Donor_Count	2
460129	Defined_Bond_Stereo_Count	0
7959	Defined_Bond_Stereo_Count	0
11322391	Isotope_Atom_Count	0
16050550	XLogP3-AA	3.2
6992020	Exact_Mass	135.99254563
954763	Undefined_Bond_Stereo_Count	0
10813807	Undefined_Bond_Stereo_Count	0
17914258	Exact_Mass	111.032028402
445969	Defined_Bond_Stereo_Count	0
107681	Molecular_Weight	592.8
71457147	Hydrogen_Bond_Donor_Count	1
12289818	XLogP3-AA	0.2
138062	Tautomer_Count	1
54421	Mono_Isotopic_Weight	366.15795719
64819	Defined_Bond_Stereo_Count	0
32069	Undefined_Bond_Stereo_Count	0
19078026	Hydrogen_Bond_Donor_Count	0
521939	Undefined_Atom_Stereo_Count	0
921134	TPSA	18.8
86761	Hydrogen_Bond_Donor_Count	1
3532561	Mono_Isotopic_Weight	86.084398327
7829	Molecular_Weight	230.30
53626	Exact_Mass	292.157563266
123347622	TPSA	21.9
57000164	Defined_Bond_Stereo_Count	0
2542	Defined_Bond_Stereo_Count	0
18624857	Hydrogen_Bond_Acceptor_Count	2
12832575	Molecular_Weight	264.32
77455	Molecular_Weight	323.4
13334302	Structure_Complexity	68.8
83864777	Non-hydrogen_Atom_Count	8
747	TPSA	250
59296041	XLogP3-AA	1.6
86566	Undefined_Atom_Stereo_Count	1
13748845	Mono_Isotopic_Weight	405.21403034
13058233	Isotope_Atom_Count	0
10072851	Structure_Complexity	731
96873	XLogP3-AA	0.9
72004	Non-hydrogen_Atom_Count	25
87548140	Covalent_Unit_Count	1
14067296	Isotope_Atom_Count	0
517296	Exact_Mass	959.9824113
23665763	Hydrogen_Bond_Donor_Count	1
12518095	Defined_Bond_Stereo_Count	0
656404	Covalent_Unit_Count	1
147078	Defined_Atom_Stereo_Count	3
72732196	Total_Formal_Charge	0
12172743	XLogP3-AA	1.3
64139	Exact_Mass	315.0273907
11251984	Total_Formal_Charge	0
378309	Structure_Complexity	503
54023646	Isotope_Atom_Count	0
6302	Undefined_Bond_Stereo_Count	0
61109	Covalent_Unit_Count	1
593379	Defined_Bond_Stereo_Count	0
54561127	Hydrogen_Bond_Acceptor_Count	3
674917	Defined_Bond_Stereo_Count	0
10453	Hydrogen_Bond_Donor_Count	1
618566	Defined_Atom_Stereo_Count	0
22598190	Hydrogen_Bond_Acceptor_Count	0
86278404	Isotope_Atom_Count	0
22170205	Hydrogen_Bond_Acceptor_Count	5
517277	Molecular_Weight	151.990
154507527	Exact_Mass	94.078250319
19927	Non-hydrogen_Atom_Count	7
17787271	Defined_Bond_Stereo_Count	0
70641785	Covalent_Unit_Count	1
2763080	XLogP3-AA	0.3
5357402	Defined_Atom_Stereo_Count	0
12572	Total_Formal_Charge	0
91747	Hydrogen_Bond_Acceptor_Count	7
23618707	TPSA	86.7
12877	Defined_Atom_Stereo_Count	0
22829	XLogP3-AA	3.3
20983	Total_Formal_Charge	0
10664	Undefined_Atom_Stereo_Count	0
9885889	Molecular_Weight	373.8
10877083	Molecular_Weight	113.16
8606	TPSA	62.7
2999	XLogP3-AA	2.9
10162742	Structure_Complexity	686
70689385	XLogP3-AA	2.6
10125830	Rotatable_Bond_Count	3
68901	Rotatable_Bond_Count	3
528143	Undefined_Atom_Stereo_Count	0
129891	Non-hydrogen_Atom_Count	10
63093	Tautomer_Count	1
10761	Rotatable_Bond_Count	6
131704	Undefined_Atom_Stereo_Count	0
439587	Undefined_Bond_Stereo_Count	0
54726192	Undefined_Atom_Stereo_Count	0
71309129	Rotatable_Bond_Count	1
15644502	Isotope_Atom_Count	0
289460	Hydrogen_Bond_Donor_Count	2
25166913	Rotatable_Bond_Count	3
75850	Tautomer_Count	2
42395	Undefined_Atom_Stereo_Count	6
20591	Hydrogen_Bond_Acceptor_Count	3
57390868	Non-hydrogen_Atom_Count	31
21520336	Undefined_Bond_Stereo_Count	0
234310	Isotope_Atom_Count	0
37807	TPSA	0
99580	XLogP3-AA	3.1
6713443	Rotatable_Bond_Count	1
53477778	Covalent_Unit_Count	1
21706	Isotope_Atom_Count	0
20298594	Non-hydrogen_Atom_Count	6
57187562	Undefined_Atom_Stereo_Count	0
50937	Total_Formal_Charge	0
5282183	Structure_Complexity	928
3514	Non-hydrogen_Atom_Count	22
16083167	Exact_Mass	338.99670
16750600	Structure_Complexity	135
720561	Structure_Complexity	183
27428	Rotatable_Bond_Count	1
3859613	Undefined_Bond_Stereo_Count	0
9319	Mono_Isotopic_Weight	285.17625028
54043984	Mono_Isotopic_Weight	202.078250319
66509030	Undefined_Atom_Stereo_Count	0
596237	Covalent_Unit_Count	1
71312306	Defined_Bond_Stereo_Count	0
21047	Isotope_Atom_Count	0
85821	Hydrogen_Bond_Acceptor_Count	2
97832	Molecular_Weight	100.12
6971070	XLogP3	1.3
6918454	Hydrogen_Bond_Donor_Count	2
104806	Exact_Mass	61.987817862
413540	Hydrogen_Bond_Donor_Count	0
7959	Defined_Atom_Stereo_Count	0
20139920	TPSA	32.3
5091	Structure_Complexity	1380
11652865	Exact_Mass	332.04669266
6364671	Isotope_Atom_Count	0
6918537	Mono_Isotopic_Weight	303.19467705
57395613	XLogP3-AA	4.2
37968	Tautomer_Count	2
4015	Rotatable_Bond_Count	5
142891	TPSA	26.3
13933900	Rotatable_Bond_Count	1
2666	Undefined_Bond_Stereo_Count	0
109198	Non-hydrogen_Atom_Count	32
148362624	Defined_Bond_Stereo_Count	0
45266826	Covalent_Unit_Count	1
139902903	Structure_Complexity	107
87162901	Isotope_Atom_Count	0
824336	Undefined_Atom_Stereo_Count	0
17235	Defined_Atom_Stereo_Count	0
10907686	Exact_Mass	110.073164938
160940	Tautomer_Count	6
9839243	Molecular_Weight	298.4
11513733	Covalent_Unit_Count	1
11419335	Undefined_Bond_Stereo_Count	0
76464	Mono_Isotopic_Weight	226.07588133
9823820	TPSA	116
4120880	Mono_Isotopic_Weight	213.055169145
7271	Hydrogen_Bond_Donor_Count	1
5215	Hydrogen_Bond_Donor_Count	2
16227342	Undefined_Bond_Stereo_Count	0
24825253	Undefined_Bond_Stereo_Count	0
564664	Molecular_Weight	108.18
12313170	Hydrogen_Bond_Donor_Count	6
53892222	Hydrogen_Bond_Acceptor_Count	5
16211559	Total_Formal_Charge	0
141850000	Defined_Bond_Stereo_Count	0
71339534	Structure_Complexity	415
94948	Undefined_Atom_Stereo_Count	0
57393451	Total_Formal_Charge	0
40467109	TPSA	143
115237	Undefined_Bond_Stereo_Count	0
10285780	Total_Formal_Charge	0
31917	Non-hydrogen_Atom_Count	24
93898	Rotatable_Bond_Count	0
13999819	Covalent_Unit_Count	1
17268	Structure_Complexity	2500
9921468	Defined_Atom_Stereo_Count	1
51049440	XLogP3-AA	0.6
16682730	Undefined_Atom_Stereo_Count	0
138375814	Isotope_Atom_Count	0
44277532	Covalent_Unit_Count	1
626366	Isotope_Atom_Count	0
6453	Total_Formal_Charge	0
5365543	Tautomer_Count	1
20325315	XLogP3-AA	0.8
42626880	Defined_Atom_Stereo_Count	6
13932	Total_Formal_Charge	0
130114907	Isotope_Atom_Count	0
10796238	Exact_Mass	1095.46702979
5720	Exact_Mass	298.06636548
58095446	Mono_Isotopic_Weight	99.104799419
2077	Structure_Complexity	591
11870427	Molecular_Weight	334.37
87931798	Rotatable_Bond_Count	2
123899588	Isotope_Atom_Count	0
9919265	Exact_Mass	904.44565070
15969	Isotope_Atom_Count	0
239377	Isotope_Atom_Count	0
10997012	Molecular_Weight	118.13
5924208	Exact_Mass	520.79460
441345	Non-hydrogen_Atom_Count	30
3640	Hydrogen_Bond_Donor_Count	3
72200631	XLogP3-AA	3.6
12312963	Undefined_Atom_Stereo_Count	0
7027	Defined_Atom_Stereo_Count	4
165491	Molecular_Weight	665.4
69595	Undefined_Atom_Stereo_Count	0
30951	Defined_Bond_Stereo_Count	0
21954793	Undefined_Atom_Stereo_Count	1
439709	Molecular_Weight	180.16
5003	Undefined_Atom_Stereo_Count	0
9966051	Molecular_Weight	298.4
80274	Hydrogen_Bond_Donor_Count	3
12580	Mono_Isotopic_Weight	136.088815002
19589	Rotatable_Bond_Count	3
115368	Hydrogen_Bond_Donor_Count	0
44342925	Structure_Complexity	371
9957	Hydrogen_Bond_Donor_Count	1
103648	Hydrogen_Bond_Donor_Count	0
11859	Isotope_Atom_Count	0
62865	Hydrogen_Bond_Donor_Count	0
54677971	Isotope_Atom_Count	0
15532	Mono_Isotopic_Weight	289.91884
12040510	Total_Formal_Charge	0
20700920	TPSA	20.1
46910592	Mono_Isotopic_Weight	658.22975722
6440352	Non-hydrogen_Atom_Count	43
28561	Mono_Isotopic_Weight	177.03606841
2157	Tautomer_Count	1
23533832	Isotope_Atom_Count	0
13148022	Non-hydrogen_Atom_Count	8
9244	Defined_Atom_Stereo_Count	0
6438130	Covalent_Unit_Count	2
9887884	Defined_Bond_Stereo_Count	0
45266912	Non-hydrogen_Atom_Count	39
18941761	Molecular_Weight	96.13
6301	Defined_Bond_Stereo_Count	0
67108333	Covalent_Unit_Count	3
117828099	Rotatable_Bond_Count	6
104746	Undefined_Bond_Stereo_Count	0
8185	Hydrogen_Bond_Acceptor_Count	1
136060	Hydrogen_Bond_Acceptor_Count	0
61474	Defined_Atom_Stereo_Count	0
10500527	Isotope_Atom_Count	0
31420	Rotatable_Bond_Count	0
21922278	Undefined_Atom_Stereo_Count	0
198756	Structure_Complexity	647
53346592	Defined_Bond_Stereo_Count	0
12974	Covalent_Unit_Count	1
129009929	Structure_Complexity	415
5280373	Total_Formal_Charge	0
4712	Non-hydrogen_Atom_Count	27
20473149	Defined_Atom_Stereo_Count	0
62842	Non-hydrogen_Atom_Count	11
6923	Mono_Isotopic_Weight	150.104465066
17231	Total_Formal_Charge	0
12146767	Defined_Atom_Stereo_Count	0
5284346	Molecular_Weight	244.26
181518	Non-hydrogen_Atom_Count	3
2469	Defined_Atom_Stereo_Count	0
123223196	TPSA	29.5
178145	TPSA	37.3
19935912	Undefined_Atom_Stereo_Count	0
83823	Structure_Complexity	488
65493	Defined_Atom_Stereo_Count	0
3614092	Hydrogen_Bond_Acceptor_Count	2
9325	Undefined_Bond_Stereo_Count	0
83167	Total_Formal_Charge	0
13946908	Hydrogen_Bond_Donor_Count	0
44555481	Isotope_Atom_Count	0
5379102	Exact_Mass	113.084063974
126710233	Structure_Complexity	68.5
76134	Exact_Mass	174.115698455
67543	Hydrogen_Bond_Acceptor_Count	16
180559	Exact_Mass	266.16304257
2751	Isotope_Atom_Count	0
5287648	Isotope_Atom_Count	0
5927	Tautomer_Count	1
176505	Defined_Bond_Stereo_Count	0
3174	Defined_Bond_Stereo_Count	0
114823056	Rotatable_Bond_Count	0
3086677	TPSA	158
5352846	Undefined_Atom_Stereo_Count	0
139352	TPSA	54.4
14379924	Defined_Atom_Stereo_Count	0
56608900	TPSA	9.2
139060478	Undefined_Bond_Stereo_Count	0
6918091	Defined_Bond_Stereo_Count	0
6332110	Defined_Atom_Stereo_Count	0
11001318	Defined_Bond_Stereo_Count	0
62217	Rotatable_Bond_Count	3
12359154	Defined_Bond_Stereo_Count	0
71437313	XLogP3-AA	0.8
23128	TPSA	0
12709580	Structure_Complexity	112
20435	Hydrogen_Bond_Acceptor_Count	5
55918	Non-hydrogen_Atom_Count	18
50894	Structure_Complexity	373
11527635	Rotatable_Bond_Count	12
163668741	Undefined_Bond_Stereo_Count	0
313325	Hydrogen_Bond_Donor_Count	7
10096344	Structure_Complexity	885
6661	Isotope_Atom_Count	0
20192394	Non-hydrogen_Atom_Count	13
15447	Hydrogen_Bond_Donor_Count	0
154169249	Undefined_Atom_Stereo_Count	2
25142177	Defined_Bond_Stereo_Count	0
19775133	Defined_Atom_Stereo_Count	0
6595	Defined_Atom_Stereo_Count	0
135923480	Isotope_Atom_Count	0
19735771	TPSA	48.9
45085000	Mono_Isotopic_Weight	112.052429494
59107469	Defined_Atom_Stereo_Count	0
86067	Defined_Bond_Stereo_Count	0
145996610	Undefined_Atom_Stereo_Count	0
72775170	Rotatable_Bond_Count	1
12599600	Defined_Atom_Stereo_Count	0
59966641	Mono_Isotopic_Weight	416.32904526
2065	Molecular_Weight	204.18
11533	Non-hydrogen_Atom_Count	4
10219396	Hydrogen_Bond_Acceptor_Count	2
44909	Exact_Mass	253.06774
12560	Rotatable_Bond_Count	7
3032792	Structure_Complexity	434
90628	Structure_Complexity	141
2723631	Rotatable_Bond_Count	0
88093945	Non-hydrogen_Atom_Count	30
108051	Isotope_Atom_Count	0
39094	Isotope_Atom_Count	0
14097	Rotatable_Bond_Count	1
2733484	Molecular_Weight	376.9
21265	Hydrogen_Bond_Acceptor_Count	2
12285866	Molecular_Weight	181.16
25210	Total_Formal_Charge	0
71354	Covalent_Unit_Count	1
15593	Covalent_Unit_Count	1
22934413	Rotatable_Bond_Count	2
13297684	Covalent_Unit_Count	1
237	Undefined_Atom_Stereo_Count	1
4458	Total_Formal_Charge	0
13392742	Structure_Complexity	149
11712071	Molecular_Weight	450.0
13776	Mono_Isotopic_Weight	516.23277935
749823	TPSA	52
73	Undefined_Bond_Stereo_Count	0
640543	Defined_Bond_Stereo_Count	0
65770	Undefined_Bond_Stereo_Count	0
16323	Structure_Complexity	141
4135	XLogP3-AA	7.1
585	Exact_Mass	192.04225873
5092	Structure_Complexity	341
2146	Mono_Isotopic_Weight	74.059246208
129669019	Undefined_Bond_Stereo_Count	0
8821	Isotope_Atom_Count	0
87826555	Defined_Atom_Stereo_Count	0
153807932	Total_Formal_Charge	0
76335	Exact_Mass	100.088815002
67533	Mono_Isotopic_Weight	338.1316542
250451	Defined_Atom_Stereo_Count	0
64148	Molecular_Weight	240.3
20662793	XLogP3-AA	1.1
3038498	Mono_Isotopic_Weight	288.11266076
90707927	Hydrogen_Bond_Acceptor_Count	0
82410	Covalent_Unit_Count	1
163090692	Molecular_Weight	843.1
2375	Defined_Bond_Stereo_Count	0
165649752	Isotope_Atom_Count	0
6168	Covalent_Unit_Count	1
535479	Mono_Isotopic_Weight	82.053098200
10314049	Undefined_Bond_Stereo_Count	0
19588	Exact_Mass	207.125928785
46885189	Isotope_Atom_Count	0
67324	Molecular_Weight	192.21
3580	Exact_Mass	566.28930571
3061	Hydrogen_Bond_Acceptor_Count	13
91260	Hydrogen_Bond_Acceptor_Count	2
10197650	Total_Formal_Charge	0
4770	Undefined_Bond_Stereo_Count	0
5228468	Tautomer_Count	1
43883	Hydrogen_Bond_Donor_Count	2
1550874	Hydrogen_Bond_Donor_Count	2
54712148	Hydrogen_Bond_Acceptor_Count	6
29938807	Undefined_Atom_Stereo_Count	0
2647	Exact_Mass	365.10454189
815863	Defined_Atom_Stereo_Count	0
16132269	Hydrogen_Bond_Acceptor_Count	17
230351	Rotatable_Bond_Count	0
123751374	XLogP3-AA	7.5
181977	Structure_Complexity	166
12959039	Total_Formal_Charge	0
46195832	Undefined_Bond_Stereo_Count	0
60995	Total_Formal_Charge	0
86049	Tautomer_Count	1
8881	Exact_Mass	111.9846556
96301	Tautomer_Count	1
17841212	Exact_Mass	97.027611728
90346255	Hydrogen_Bond_Acceptor_Count	6
12940550	Mono_Isotopic_Weight	285.172878976
122197250	Exact_Mass	447.26929854
53151	Total_Formal_Charge	0
13415148	TPSA	61.4
46570	Covalent_Unit_Count	1
5281672	Total_Formal_Charge	0
197162	Undefined_Bond_Stereo_Count	0
118705472	Structure_Complexity	576
639643	Isotope_Atom_Count	0
15620607	Isotope_Atom_Count	0
61059	Mono_Isotopic_Weight	210.00205114
1771194	Structure_Complexity	702
4953	Defined_Bond_Stereo_Count	0
1548885	Tautomer_Count	1
2958	Tautomer_Count	54
65275	Non-hydrogen_Atom_Count	12
54740489	Hydrogen_Bond_Acceptor_Count	12
23034	Non-hydrogen_Atom_Count	32
3482	Mono_Isotopic_Weight	193.05863707
12288423	Hydrogen_Bond_Acceptor_Count	1
9885692	Rotatable_Bond_Count	4
119057560	Rotatable_Bond_Count	7
19077508	Total_Formal_Charge	0
44155874	Isotope_Atom_Count	0
10772946	Molecular_Weight	111.15
10731	Non-hydrogen_Atom_Count	15
17279	Total_Formal_Charge	0
157917	Undefined_Atom_Stereo_Count	1
9638	TPSA	0
40496	Structure_Complexity	272
118701016	Structure_Complexity	3150
69402	XLogP3-AA	1.4
25014844	Defined_Atom_Stereo_Count	0
61818	Hydrogen_Bond_Donor_Count	0
840260	Defined_Bond_Stereo_Count	0
130380	Undefined_Atom_Stereo_Count	0
86609	TPSA	0
156651923	TPSA	21.8
22160808	Non-hydrogen_Atom_Count	8
23573786	Defined_Atom_Stereo_Count	0
67978393	Isotope_Atom_Count	0
5355254	Exact_Mass	204.115029749
29743	Undefined_Bond_Stereo_Count	0
4786	Hydrogen_Bond_Donor_Count	2
18628727	TPSA	66.4
70111342	Hydrogen_Bond_Donor_Count	1
5310993	Tautomer_Count	3
71986	Undefined_Bond_Stereo_Count	0
153648135	Undefined_Atom_Stereo_Count	1
15216102	TPSA	49.3
36312	Undefined_Bond_Stereo_Count	0
12003287	Molecular_Weight	180.16
14670	Hydrogen_Bond_Acceptor_Count	4
3792939	Structure_Complexity	0
72200110	Defined_Atom_Stereo_Count	0
106999	Undefined_Bond_Stereo_Count	0
5353521	Total_Formal_Charge	0
1476679	Molecular_Weight	333.4
67240072	Undefined_Atom_Stereo_Count	0
14601092	Covalent_Unit_Count	1
18732	Structure_Complexity	79.6
39622	Rotatable_Bond_Count	1
129836041	Mono_Isotopic_Weight	50.03439315
136255	XLogP3-AA	3
14768	Structure_Complexity	26.3
57927934	Mono_Isotopic_Weight	467.21686904
148335	Molecular_Weight	259.10
70122	Tautomer_Count	1
65246	Covalent_Unit_Count	1
9795291	Mono_Isotopic_Weight	265.09866828
23675321	Total_Formal_Charge	0
6327869	Hydrogen_Bond_Acceptor_Count	1
135537958	Undefined_Atom_Stereo_Count	0
73538	Undefined_Atom_Stereo_Count	0
6682	Isotope_Atom_Count	0
61778	Structure_Complexity	76
5311424	Hydrogen_Bond_Acceptor_Count	3
513955	Hydrogen_Bond_Donor_Count	4
657180	Rotatable_Bond_Count	32
8949	Exact_Mass	213.9963942
12579106	Structure_Complexity	77.4
164700	TPSA	32.3
99143	Total_Formal_Charge	0
129730	Covalent_Unit_Count	1
73619	Structure_Complexity	1140
79267	Undefined_Bond_Stereo_Count	0
57391652	Defined_Bond_Stereo_Count	0
517232	Hydrogen_Bond_Acceptor_Count	2
70324	Mono_Isotopic_Weight	162.104465066
4043	Molecular_Weight	344.5
96160	Rotatable_Bond_Count	1
9162	Total_Formal_Charge	0
3080653	Molecular_Weight	1036.1
42768	Mono_Isotopic_Weight	520.22725974
9897	XLogP3-AA	1
31593	Mono_Isotopic_Weight	260.09094026
11700495	XLogP3-AA	1.6
83735	Covalent_Unit_Count	1
25016295	Total_Formal_Charge	0
22624677	Mono_Isotopic_Weight	179.094628657
9218	Hydrogen_Bond_Acceptor_Count	3
91700388	Isotope_Atom_Count	0
23072212	Hydrogen_Bond_Donor_Count	3
359784	Undefined_Bond_Stereo_Count	0
5289388	Exact_Mass	971.15746899
36109	Structure_Complexity	213
71362816	Undefined_Atom_Stereo_Count	1
14865900	Exact_Mass	114.068079557
147226284	Exact_Mass	112.088815002
7614	Tautomer_Count	2
45086609	Non-hydrogen_Atom_Count	10
118553	Covalent_Unit_Count	1
2782635	Mono_Isotopic_Weight	126.02924926
86453	Total_Formal_Charge	0
4723	Covalent_Unit_Count	1
134687781	Mono_Isotopic_Weight	803.48197664
431751	Isotope_Atom_Count	0
145813	Hydrogen_Bond_Acceptor_Count	2
36832	Non-hydrogen_Atom_Count	8
45285	Rotatable_Bond_Count	11
699572	Exact_Mass	330.0771200
123422	Total_Formal_Charge	0
14397832	Exact_Mass	99.043261792
153722581	Non-hydrogen_Atom_Count	6
67214	Rotatable_Bond_Count	0
15953	Total_Formal_Charge	0
75979	Hydrogen_Bond_Acceptor_Count	2
19068741	Non-hydrogen_Atom_Count	7
71584163	Defined_Atom_Stereo_Count	0
91231076	Undefined_Bond_Stereo_Count	0
6431301	Hydrogen_Bond_Acceptor_Count	2
20543	Hydrogen_Bond_Donor_Count	12
5256168	Tautomer_Count	1
72038	Total_Formal_Charge	0
15793	Defined_Atom_Stereo_Count	0
74	Defined_Bond_Stereo_Count	0
44406	Isotope_Atom_Count	0
180081	Exact_Mass	221.120449483
10442251	XLogP3-AA	1.1
123854	Hydrogen_Bond_Acceptor_Count	14
147305619	Undefined_Atom_Stereo_Count	3
13521831	Undefined_Bond_Stereo_Count	0
46919879	Rotatable_Bond_Count	15
71072050	Isotope_Atom_Count	0
11458	Defined_Bond_Stereo_Count	0
11789141	Covalent_Unit_Count	1
92403	Covalent_Unit_Count	1
54910	Mono_Isotopic_Weight	261.0556563
163156	Hydrogen_Bond_Donor_Count	3
339206	Exact_Mass	367.11682065
7062	XLogP3	2.3
29348	Structure_Complexity	264
20523406	Undefined_Bond_Stereo_Count	0
59082996	Hydrogen_Bond_Acceptor_Count	2
5283739	Undefined_Atom_Stereo_Count	0
63141	Tautomer_Count	4
963	TPSA	347
88937798	Defined_Bond_Stereo_Count	0
89055	Non-hydrogen_Atom_Count	13
12182	Undefined_Bond_Stereo_Count	0
81867	Isotope_Atom_Count	0
5282474	Hydrogen_Bond_Acceptor_Count	9
57077346	Defined_Bond_Stereo_Count	0
178134	Molecular_Weight	208.26
45588109	Rotatable_Bond_Count	4
103032	Hydrogen_Bond_Acceptor_Count	2
73219	Total_Formal_Charge	0
59149828	Mono_Isotopic_Weight	533.23622233
138753050	Mono_Isotopic_Weight	419.0264073
20591	Exact_Mass	151.063328530
13760528	Defined_Bond_Stereo_Count	0
151011	Covalent_Unit_Count	1
8834	Structure_Complexity	203
10072	Rotatable_Bond_Count	7
65594	Undefined_Atom_Stereo_Count	1
147226284	Non-hydrogen_Atom_Count	8
3000603	Undefined_Atom_Stereo_Count	0
131751341	Isotope_Atom_Count	0
641240	Non-hydrogen_Atom_Count	8
23151396	Defined_Atom_Stereo_Count	0
11507658	TPSA	64.6
21911205	Undefined_Atom_Stereo_Count	1
583540	Hydrogen_Bond_Acceptor_Count	3
95652	Hydrogen_Bond_Acceptor_Count	3
12201380	Structure_Complexity	123
6814	Exact_Mass	242.05790880
4634922	Mono_Isotopic_Weight	241.086469272
14143522	Hydrogen_Bond_Acceptor_Count	2
14970970	Structure_Complexity	109
55288198	Rotatable_Bond_Count	0
58195	Undefined_Bond_Stereo_Count	0
11554076	XLogP3-AA	2.4
61083	Structure_Complexity	93.9
6436138	Exact_Mass	424.0938327
21122483	TPSA	0
15953353	Structure_Complexity	615
135444779	Non-hydrogen_Atom_Count	32
6419962	Covalent_Unit_Count	2
10080320	Hydrogen_Bond_Donor_Count	1
71541192	Total_Formal_Charge	0
4594	Tautomer_Count	2
3467	Molecular_Weight	477.6
68030	Non-hydrogen_Atom_Count	8
10836	Isotope_Atom_Count	0
10486	Rotatable_Bond_Count	0
17963227	Undefined_Bond_Stereo_Count	0
24977223	TPSA	17.1
5365125	Covalent_Unit_Count	1
5280784	Isotope_Atom_Count	0
18684667	XLogP3-AA	3.3
71398	Mono_Isotopic_Weight	302.15180918
2184	Exact_Mass	349.298079487
81784	Structure_Complexity	168
17425	Mono_Isotopic_Weight	292.00265954
89396477	Exact_Mass	113.047678466
77328	Total_Formal_Charge	0
80530	Defined_Bond_Stereo_Count	0
60867	Total_Formal_Charge	0
441278	Hydrogen_Bond_Donor_Count	1
62343	Defined_Bond_Stereo_Count	0
40443	Tautomer_Count	1
21873275	Undefined_Atom_Stereo_Count	0
5288706	Isotope_Atom_Count	0
129814671	Defined_Bond_Stereo_Count	0
66599	Hydrogen_Bond_Donor_Count	3
10256440	Non-hydrogen_Atom_Count	38
6921705	Hydrogen_Bond_Donor_Count	4
5311051	Undefined_Bond_Stereo_Count	0
837	Undefined_Bond_Stereo_Count	0
456297	Mono_Isotopic_Weight	569.29082182
561376	Isotope_Atom_Count	0
11029761	TPSA	40.5
8579	Defined_Bond_Stereo_Count	0
8223	Total_Formal_Charge	0
67350	Structure_Complexity	338
6994	Mono_Isotopic_Weight	122.073164938
5311498	Total_Formal_Charge	0
259331	Exact_Mass	439.1680992
3483	Covalent_Unit_Count	1
91169276	Hydrogen_Bond_Acceptor_Count	3
77222	Mono_Isotopic_Weight	563.9641207
6604816	Defined_Atom_Stereo_Count	12
156212	Defined_Bond_Stereo_Count	0
547935	Mono_Isotopic_Weight	117.078978594
6992028	Total_Formal_Charge	0
792	Isotope_Atom_Count	0
5464090	Molecular_Weight	477.5
5504	Rotatable_Bond_Count	2
53897	Undefined_Bond_Stereo_Count	0
101454647	Rotatable_Bond_Count	6
66435	Defined_Bond_Stereo_Count	0
206	Rotatable_Bond_Count	1
116489251	Hydrogen_Bond_Donor_Count	1
141959525	Molecular_Weight	97.16
1097	Covalent_Unit_Count	1
15950086	Undefined_Bond_Stereo_Count	0
10628031	Molecular_Weight	650.7
6860	Structure_Complexity	2
31639	Total_Formal_Charge	0
56663313	Undefined_Bond_Stereo_Count	0
91604	Mono_Isotopic_Weight	210.161979940
33710	Covalent_Unit_Count	3
9049	Structure_Complexity	355
5496540	Non-hydrogen_Atom_Count	98
23597592	Non-hydrogen_Atom_Count	8
2408	Hydrogen_Bond_Donor_Count	1
706485	Molecular_Weight	346.8
4520	Molecular_Weight	176.22
54587655	Hydrogen_Bond_Donor_Count	1
13976560	Undefined_Atom_Stereo_Count	1
220773	Undefined_Atom_Stereo_Count	0
5694	Mono_Isotopic_Weight	323.0495256
61431	Hydrogen_Bond_Donor_Count	0
522417	Isotope_Atom_Count	0
8512	Non-hydrogen_Atom_Count	17
6960	TPSA	78.9
12040	XLogP3-AA	2.2
522636	Mono_Isotopic_Weight	346.14163842
54521625	Molecular_Weight	112.13
18323753	Undefined_Bond_Stereo_Count	0
903696	Structure_Complexity	424
55286835	Exact_Mass	113.058911855
11550004	Undefined_Bond_Stereo_Count	0
28144	Structure_Complexity	748
9921468	Structure_Complexity	370
39609	Covalent_Unit_Count	1
24568	Hydrogen_Bond_Acceptor_Count	20
197160	Molecular_Weight	338.66
101181995	Rotatable_Bond_Count	6
146898	Defined_Atom_Stereo_Count	5
55285	Undefined_Bond_Stereo_Count	0
135625230	Hydrogen_Bond_Donor_Count	10
59277765	Hydrogen_Bond_Acceptor_Count	4
16760595	Undefined_Bond_Stereo_Count	0
58438	Hydrogen_Bond_Acceptor_Count	3
10034581	Undefined_Atom_Stereo_Count	0
58195	Hydrogen_Bond_Acceptor_Count	2
161988362	Exact_Mass	112.088815002
213020	Structure_Complexity	324
85708088	Non-hydrogen_Atom_Count	8
20387201	TPSA	3
668744	Isotope_Atom_Count	0
11883891	Non-hydrogen_Atom_Count	13
57545	Isotope_Atom_Count	0
21118222	Exact_Mass	303.0621982
10582477	Molecular_Weight	223.23
79316	Structure_Complexity	245
62425	Hydrogen_Bond_Donor_Count	0
69341206	TPSA	59.8
7111	Tautomer_Count	1
73357753	TPSA	89
14179013	TPSA	101
885569	Isotope_Atom_Count	0
53807546	TPSA	26
94229	XLogP3	1.3
628397	Structure_Complexity	344
8102	Rotatable_Bond_Count	4
91731	Undefined_Atom_Stereo_Count	0
10686	Hydrogen_Bond_Acceptor_Count	0
13976498	Structure_Complexity	101
123071	Hydrogen_Bond_Donor_Count	1
14815788	Undefined_Atom_Stereo_Count	2
9906855	Mono_Isotopic_Weight	359.13036271
60196393	Structure_Complexity	217
59736263	XLogP3-AA	0.6
13611193	Exact_Mass	108.093900383
513622	Defined_Atom_Stereo_Count	0
118961594	Total_Formal_Charge	0
712967	Structure_Complexity	444
3707	Undefined_Bond_Stereo_Count	0
66707439	Exact_Mass	166.01268994
68589	Molecular_Weight	444.7
13826	Undefined_Bond_Stereo_Count	0
9938	XLogP3	3.2
5948	Structure_Complexity	72.1
20392430	XLogP3-AA	0.3
53402099	Defined_Bond_Stereo_Count	0
29396	Defined_Bond_Stereo_Count	0
6420019	Non-hydrogen_Atom_Count	21
71451930	TPSA	99.2
159157	Mono_Isotopic_Weight	208.04054465
14970970	Isotope_Atom_Count	0
12729368	TPSA	33
70715	Total_Formal_Charge	0
13241308	Hydrogen_Bond_Acceptor_Count	3
13977927	Non-hydrogen_Atom_Count	7
68194	Undefined_Bond_Stereo_Count	0
138107778	TPSA	279
11467403	Mono_Isotopic_Weight	471.1271072
860695	Structure_Complexity	447
70978	Exact_Mass	180.03106078
86209	Isotope_Atom_Count	0
59	Isotope_Atom_Count	0
45085022	Hydrogen_Bond_Acceptor_Count	2
5400866	Non-hydrogen_Atom_Count	19
190816	Hydrogen_Bond_Donor_Count	1
12431565	Mono_Isotopic_Weight	98.073164938
22326	XLogP3-AA	1.5
589209	Hydrogen_Bond_Donor_Count	0
73761	XLogP3-AA	0.7
10483883	Isotope_Atom_Count	0
7659	Mono_Isotopic_Weight	252.115029749
90722224	TPSA	9.2
447555	Hydrogen_Bond_Donor_Count	4
444746	Undefined_Bond_Stereo_Count	0
71458869	Non-hydrogen_Atom_Count	34
8992	Defined_Atom_Stereo_Count	0
12313817	Hydrogen_Bond_Donor_Count	0
15700781	Rotatable_Bond_Count	2
417	Molecular_Weight	176.55
5213	Undefined_Bond_Stereo_Count	0
378348	Undefined_Atom_Stereo_Count	0
445319	Defined_Atom_Stereo_Count	0
44453028	Molecular_Weight	534.6
65442	Tautomer_Count	1
11648	Hydrogen_Bond_Acceptor_Count	0
149	Defined_Atom_Stereo_Count	0
3770186	Exact_Mass	819.6601
2723650	TPSA	56.2
10785	Defined_Atom_Stereo_Count	0
163316	Tautomer_Count	2
866	Non-hydrogen_Atom_Count	10
50	Exact_Mass	194.04265265
54413601	Non-hydrogen_Atom_Count	20
11126	Covalent_Unit_Count	1
123692	Defined_Atom_Stereo_Count	0
9732	Covalent_Unit_Count	1
270299	Total_Formal_Charge	0
86295112	Molecular_Weight	340.4
23278715	Exact_Mass	620.35923573
13772685	Covalent_Unit_Count	1
33376	Defined_Atom_Stereo_Count	0
539077	Undefined_Bond_Stereo_Count	0
57064571	TPSA	0
40411	Exact_Mass	242.09027155
194383	Hydrogen_Bond_Acceptor_Count	11
5462	Defined_Atom_Stereo_Count	0
193720	Defined_Bond_Stereo_Count	0
71616	Undefined_Bond_Stereo_Count	0
91711338	Hydrogen_Bond_Acceptor_Count	2
121489349	Hydrogen_Bond_Acceptor_Count	31
2713	XLogP3	0.1
5819	Isotope_Atom_Count	0
59173	Defined_Bond_Stereo_Count	0
21702741	Total_Formal_Charge	0
22448	TPSA	45.8
7642	Rotatable_Bond_Count	22
11210173	Defined_Atom_Stereo_Count	0
129746471	TPSA	21.8
171018	TPSA	72.1
24848920	Defined_Bond_Stereo_Count	0
74405857	Defined_Atom_Stereo_Count	0
5369162	Total_Formal_Charge	0
20470206	Molecular_Weight	108.18
71300299	Undefined_Bond_Stereo_Count	0
66133	Hydrogen_Bond_Donor_Count	0
19049	Undefined_Atom_Stereo_Count	0
74030550	Isotope_Atom_Count	0
18730041	XLogP3-AA	2.9
139980	Non-hydrogen_Atom_Count	7
15337	Undefined_Bond_Stereo_Count	0
24672	Undefined_Atom_Stereo_Count	0
3370	Structure_Complexity	838
197127	Total_Formal_Charge	0
92247	Hydrogen_Bond_Acceptor_Count	1
123744867	Total_Formal_Charge	0
13521834	Undefined_Bond_Stereo_Count	0
91408078	Isotope_Atom_Count	0
13379958	TPSA	17.1
44324	Hydrogen_Bond_Donor_Count	0
10866310	Molecular_Weight	116.20
53851	Structure_Complexity	342
24818	Mono_Isotopic_Weight	267.75064
6710664	Undefined_Bond_Stereo_Count	0
9693	TPSA	10.2
91617	Molecular_Weight	534.5
16049376	Defined_Atom_Stereo_Count	1
9897	Undefined_Bond_Stereo_Count	0
58877	Exact_Mass	327.18344366
86213522	Hydrogen_Bond_Acceptor_Count	0
92922	Mono_Isotopic_Weight	476.25741706
67518639	Defined_Atom_Stereo_Count	3
9892815	Hydrogen_Bond_Donor_Count	2
59791	Hydrogen_Bond_Donor_Count	2
5971	Isotope_Atom_Count	0
87155	Rotatable_Bond_Count	3
9883778	Covalent_Unit_Count	1
21075956	Hydrogen_Bond_Donor_Count	0
432	Covalent_Unit_Count	1
59973	Mono_Isotopic_Weight	384.2179706
34049	Isotope_Atom_Count	0
31426	TPSA	80
33820	Rotatable_Bond_Count	14
38771	Non-hydrogen_Atom_Count	14
5282450	Isotope_Atom_Count	0
11504350	Isotope_Atom_Count	0
20793238	Non-hydrogen_Atom_Count	7
2763750	Molecular_Weight	239.25
5463411	Hydrogen_Bond_Donor_Count	0
14923	Rotatable_Bond_Count	0
248271	Structure_Complexity	709
91845299	Hydrogen_Bond_Donor_Count	8
39784	Mono_Isotopic_Weight	424.2645269
14109	Exact_Mass	162.140850574
61634	Molecular_Weight	126.15
105130	Rotatable_Bond_Count	0
92363	Covalent_Unit_Count	1
91501293	Undefined_Bond_Stereo_Count	0
11234350	Hydrogen_Bond_Acceptor_Count	6
5283741	Molecular_Weight	416.6
37049	Structure_Complexity	689
21675743	Exact_Mass	100.100048391
146356470	Covalent_Unit_Count	1
12755803	TPSA	9.2
6972	Total_Formal_Charge	0
2734224	Non-hydrogen_Atom_Count	14
121025	XLogP3-AA	1.7
118946	Covalent_Unit_Count	1
3000391	Covalent_Unit_Count	6
6915	Molecular_Weight	116.16
61253	Hydrogen_Bond_Donor_Count	3
22544	Tautomer_Count	1
12303	Molecular_Weight	102.14
19962939	TPSA	24.4
7750	Undefined_Bond_Stereo_Count	0
2758874	Defined_Atom_Stereo_Count	0
58680	Defined_Bond_Stereo_Count	0
445501	Total_Formal_Charge	0
9840857	Defined_Bond_Stereo_Count	0
7647	Defined_Bond_Stereo_Count	0
4437320	Hydrogen_Bond_Acceptor_Count	4
527855	Total_Formal_Charge	0
20849107	Defined_Bond_Stereo_Count	2
21908889	Rotatable_Bond_Count	3
40127	Non-hydrogen_Atom_Count	22
9533	Defined_Bond_Stereo_Count	0
1490119	Rotatable_Bond_Count	3
675533	Defined_Bond_Stereo_Count	0
31389	Rotatable_Bond_Count	0
6324	Total_Formal_Charge	0
437570	Molecular_Weight	100.08
11395145	Rotatable_Bond_Count	7
17407	Undefined_Atom_Stereo_Count	0
5281969	Structure_Complexity	408
15786916	Molecular_Weight	60.03
25612	Non-hydrogen_Atom_Count	11
49862689	Total_Formal_Charge	0
13276908	Defined_Atom_Stereo_Count	0
12359612	Undefined_Bond_Stereo_Count	0
6608	Non-hydrogen_Atom_Count	15
7766	XLogP3	1.2
38464	XLogP3-AA	2.3
16211214	Non-hydrogen_Atom_Count	23
13378766	Hydrogen_Bond_Acceptor_Count	2
15475284	Molecular_Weight	97.16
15942890	Undefined_Bond_Stereo_Count	0
64722	Exact_Mass	345.1317986
75252	Molecular_Weight	173.21
841083	Defined_Atom_Stereo_Count	0
8737	Hydrogen_Bond_Donor_Count	4
23204	Covalent_Unit_Count	1
89664	Undefined_Atom_Stereo_Count	0
31186	Covalent_Unit_Count	1
2752647	Isotope_Atom_Count	0
101100163	Molecular_Weight	235.28
56965681	Defined_Atom_Stereo_Count	0
3086167	Rotatable_Bond_Count	8
11476771	Hydrogen_Bond_Donor_Count	2
88861581	Exact_Mass	110.073164938
70103	Total_Formal_Charge	0
5713976	Hydrogen_Bond_Acceptor_Count	3
12673086	XLogP3-AA	2.9
85360	Total_Formal_Charge	0
14294904	Covalent_Unit_Count	1
18696583	Molecular_Weight	102.18
12256	Hydrogen_Bond_Acceptor_Count	1
5109	Rotatable_Bond_Count	5
10597	Defined_Atom_Stereo_Count	0
94926	XLogP3-AA	3
167085	Undefined_Atom_Stereo_Count	0
2447	XLogP3	1.1
136051299	TPSA	149
693507	Hydrogen_Bond_Acceptor_Count	4
6917874	Defined_Bond_Stereo_Count	0
163957061	Structure_Complexity	40.7
59904077	Defined_Bond_Stereo_Count	0
59648985	XLogP3-AA	1.3
8049	Molecular_Weight	258.35
545	Defined_Bond_Stereo_Count	0
3936	Tautomer_Count	1
10129	Mono_Isotopic_Weight	138.140850574
78323835	TPSA	99.4
20054942	Structure_Complexity	756
643189	Total_Formal_Charge	0
71361084	Defined_Atom_Stereo_Count	0
8561	Defined_Bond_Stereo_Count	0
64356	Exact_Mass	267.0346565
73353578	Defined_Atom_Stereo_Count	0
10263	Mono_Isotopic_Weight	134.109550447
162955685	Hydrogen_Bond_Acceptor_Count	11
89508157	Undefined_Bond_Stereo_Count	0
92444	Tautomer_Count	1
9566269	Hydrogen_Bond_Acceptor_Count	5
54706667	Covalent_Unit_Count	1
260495	Undefined_Bond_Stereo_Count	0
3393	Non-hydrogen_Atom_Count	27
54687772	Defined_Atom_Stereo_Count	1
11744644	TPSA	121
96665	TPSA	54.4
15145	Hydrogen_Bond_Acceptor_Count	1
24771766	Rotatable_Bond_Count	0
6440944	Covalent_Unit_Count	1
169148	Hydrogen_Bond_Donor_Count	4
67849558	Isotope_Atom_Count	0
124744580	Total_Formal_Charge	0
246206	Exact_Mass	286.193280068
17461	Exact_Mass	904.04446352
123133899	Structure_Complexity	1420
23021453	Rotatable_Bond_Count	2
20653311	Hydrogen_Bond_Acceptor_Count	3
66727	Tautomer_Count	1
2796	Exact_Mass	242.0709720
139367	Structure_Complexity	96
74170	Defined_Bond_Stereo_Count	0
5761	Covalent_Unit_Count	1
57055230	Exact_Mass	103.063328530
123608	Rotatable_Bond_Count	4
549405	Defined_Atom_Stereo_Count	0
165986150	Covalent_Unit_Count	1
26010	Non-hydrogen_Atom_Count	4
61205	Covalent_Unit_Count	1
3086652	Exact_Mass	705.35937684
7000	Undefined_Bond_Stereo_Count	0
12196071	Defined_Bond_Stereo_Count	0
62556	Mono_Isotopic_Weight	352.11581759
18555	Defined_Atom_Stereo_Count	0
565589	Defined_Atom_Stereo_Count	0
448043	Structure_Complexity	476
447865	Mono_Isotopic_Weight	491.27054458
84589	Hydrogen_Bond_Acceptor_Count	2
6670	Mono_Isotopic_Weight	223.03031432
54368096	Mono_Isotopic_Weight	100.088815002
46936680	Isotope_Atom_Count	0
89904392	Hydrogen_Bond_Acceptor_Count	3
60044692	Covalent_Unit_Count	1
31645	Covalent_Unit_Count	1
8058	XLogP3	3.9
135415867	XLogP3-AA	4.4
6857429	Structure_Complexity	0
48955	Rotatable_Bond_Count	10
133687818	Isotope_Atom_Count	0
11829365	Defined_Atom_Stereo_Count	0
59999797	Hydrogen_Bond_Acceptor_Count	1
21473742	XLogP3-AA	0.6
76973294	Undefined_Atom_Stereo_Count	6
10353119	Exact_Mass	212.06847348
17857	Defined_Atom_Stereo_Count	0
11083859	Total_Formal_Charge	0
123628273	Total_Formal_Charge	0
18787	Mono_Isotopic_Weight	226.110613074
12184311	Hydrogen_Bond_Acceptor_Count	11
135409852	Mono_Isotopic_Weight	88.027277375
57445155	Total_Formal_Charge	0
9867061	XLogP3-AA	3.3
101203296	Hydrogen_Bond_Acceptor_Count	1
13550685	Rotatable_Bond_Count	0
44452442	XLogP3-AA	4.5
10574415	Covalent_Unit_Count	1
25803	Tautomer_Count	6
44251266	Total_Formal_Charge	0
10964588	Exact_Mass	138.140850574
24827	TPSA	46.5
461307	Hydrogen_Bond_Donor_Count	4
78422653	Hydrogen_Bond_Acceptor_Count	3
60047	Molecular_Weight	386.3
5461056	TPSA	98.3
418296	Total_Formal_Charge	0
64914374	Covalent_Unit_Count	1
9952446	Covalent_Unit_Count	1
71762	Non-hydrogen_Atom_Count	73
10427712	Molecular_Weight	346.3
156008	Non-hydrogen_Atom_Count	9
5491647	Exact_Mass	269.10519334
533863	Tautomer_Count	1
23694217	Defined_Atom_Stereo_Count	6
11693901	Rotatable_Bond_Count	0
136240586	Covalent_Unit_Count	1
328883	TPSA	46.5
9843941	Undefined_Bond_Stereo_Count	0
20767631	Structure_Complexity	104
11957572	TPSA	212
11953947	Exact_Mass	910.5458778
64782	XLogP3	1.7
441337	Defined_Atom_Stereo_Count	0
22304	Total_Formal_Charge	0
23662369	Mono_Isotopic_Weight	304.08238656
143506727	Hydrogen_Bond_Acceptor_Count	0
123767	Undefined_Bond_Stereo_Count	0
85844257	XLogP3-AA	1.7
25244520	Undefined_Atom_Stereo_Count	0
2678	Hydrogen_Bond_Donor_Count	1
31364	Tautomer_Count	1
24012	Defined_Atom_Stereo_Count	0
4351	Molecular_Weight	188.27
18690759	TPSA	0
75055	Hydrogen_Bond_Acceptor_Count	2
86764	Hydrogen_Bond_Acceptor_Count	4
2771758	Mono_Isotopic_Weight	162.042927438
129787717	Undefined_Atom_Stereo_Count	0
7026	Hydrogen_Bond_Acceptor_Count	4
42580057	Undefined_Bond_Stereo_Count	0
56338	Structure_Complexity	536
15940170	Exact_Mass	474.17390455
461128	Isotope_Atom_Count	0
68837	Hydrogen_Bond_Donor_Count	6
15007	Defined_Bond_Stereo_Count	0
5379	Structure_Complexity	653
15130858	Hydrogen_Bond_Acceptor_Count	4
8756	Undefined_Bond_Stereo_Count	0
11548	Hydrogen_Bond_Acceptor_Count	3
74208	Undefined_Atom_Stereo_Count	0
87162	Hydrogen_Bond_Donor_Count	0
84975	Defined_Bond_Stereo_Count	0
107681	Rotatable_Bond_Count	28
904857	Tautomer_Count	1
58199	Structure_Complexity	329
7236	Rotatable_Bond_Count	0
9009	Structure_Complexity	55.7
86640	Hydrogen_Bond_Donor_Count	0
135484128	Molecular_Weight	600.7
76981	Undefined_Bond_Stereo_Count	0
56928080	Non-hydrogen_Atom_Count	39
647	Rotatable_Bond_Count	5
132596289	Mono_Isotopic_Weight	192.162648646
537236	Defined_Bond_Stereo_Count	0
11513733	Hydrogen_Bond_Donor_Count	0
17894357	Isotope_Atom_Count	0
5284376	Mono_Isotopic_Weight	269.0407907
65874	XLogP3-AA	2.6
10298	Hydrogen_Bond_Acceptor_Count	3
6602308	Covalent_Unit_Count	1
8454	Tautomer_Count	1
113342	XLogP3-AA	1
75690	Defined_Bond_Stereo_Count	0
54760314	Rotatable_Bond_Count	3
97497	Molecular_Weight	96.13
37248	Mono_Isotopic_Weight	289.922361
118856278	Structure_Complexity	749
40949	Structure_Complexity	470
1584822	Molecular_Weight	319.4
6441082	Molecular_Weight	356.4
398741	Exact_Mass	237.08406
6438129	Structure_Complexity	409
91427979	TPSA	0
55329	Non-hydrogen_Atom_Count	19
93357	Hydrogen_Bond_Donor_Count	0
40780	Rotatable_Bond_Count	12
3459	Total_Formal_Charge	0
129803162	Total_Formal_Charge	0
6918149	Structure_Complexity	543
16049160	Defined_Atom_Stereo_Count	1
5942099	Exact_Mass	306.13280507
91224654	Covalent_Unit_Count	1
69319	TPSA	14.4
135398679	Exact_Mass	165.06505986
132274080	XLogP3	4.2
73415790	Exact_Mass	663.10912256
4893	Undefined_Bond_Stereo_Count	0
3423265	Molecular_Weight	288.38
135502804	XLogP3-AA	1.7
969488	Total_Formal_Charge	0
136305444	TPSA	41.8
23015900	Mono_Isotopic_Weight	110.073164938
34049	Hydrogen_Bond_Donor_Count	2
58560	TPSA	24.8
101186587	Total_Formal_Charge	0
123630180	Molecular_Weight	108.18
643833	Total_Formal_Charge	0
14612499	Undefined_Atom_Stereo_Count	2
55288363	XLogP3-AA	0.6
2137	Hydrogen_Bond_Donor_Count	1
57183917	Exact_Mass	111.032028402
57369982	Molecular_Weight	301.25
91696	Defined_Bond_Stereo_Count	0
15427	Exact_Mass	159.104799419
154169739	Covalent_Unit_Count	1
21498	Structure_Complexity	116
67619	Molecular_Weight	206.06
11040	Mono_Isotopic_Weight	104.047344113
5362487	Defined_Bond_Stereo_Count	0
135539077	Undefined_Atom_Stereo_Count	0
11228026	Molecular_Weight	484.7
56665393	Undefined_Bond_Stereo_Count	0
44404640	Covalent_Unit_Count	1
146779553	Mono_Isotopic_Weight	108.093900383
54887	Exact_Mass	384.19098865
2812423	Hydrogen_Bond_Donor_Count	1
91798954	Undefined_Atom_Stereo_Count	3
13389335	Undefined_Bond_Stereo_Count	0
84976	Structure_Complexity	156
61293	Covalent_Unit_Count	1
70729	Defined_Bond_Stereo_Count	0
118209838	Rotatable_Bond_Count	0
659840	Non-hydrogen_Atom_Count	19
511	Undefined_Atom_Stereo_Count	0
398501	Undefined_Atom_Stereo_Count	0
3552	Hydrogen_Bond_Acceptor_Count	5
14421	Defined_Bond_Stereo_Count	0
71872	Rotatable_Bond_Count	3
448013	Hydrogen_Bond_Acceptor_Count	8
91590871	Defined_Bond_Stereo_Count	0
78297	Defined_Atom_Stereo_Count	0
23182368	Defined_Atom_Stereo_Count	0
91543	Mono_Isotopic_Weight	493.71285
5275508	Undefined_Atom_Stereo_Count	0
5282219	TPSA	82.1
15475283	Defined_Atom_Stereo_Count	0
141028526	Isotope_Atom_Count	0
19431	TPSA	209
73527	Isotope_Atom_Count	0
102492967	XLogP3-AA	3.3
3134071	XLogP3-AA	2.4
11412	Defined_Bond_Stereo_Count	0
17753912	TPSA	0
10909482	Undefined_Bond_Stereo_Count	0
688145	Defined_Bond_Stereo_Count	1
51358375	Isotope_Atom_Count	0
10920498	Structure_Complexity	80.1
4627	XLogP3-AA	1.7
2837	Defined_Atom_Stereo_Count	0
194953	Hydrogen_Bond_Donor_Count	3
118115	Undefined_Atom_Stereo_Count	1
16131097	Isotope_Atom_Count	0
24426	TPSA	9.2
60196307	Hydrogen_Bond_Acceptor_Count	10
32592	Defined_Bond_Stereo_Count	0
19032309	Undefined_Atom_Stereo_Count	1
670359	Hydrogen_Bond_Acceptor_Count	4
9796370	Total_Formal_Charge	0
105035	Tautomer_Count	5
11732	Rotatable_Bond_Count	1
22062700	Hydrogen_Bond_Acceptor_Count	2
68009554	Molecular_Weight	342.30
9773	Covalent_Unit_Count	1
24999143	XLogP3-AA	4.6
91469448	Rotatable_Bond_Count	0
58463204	Undefined_Atom_Stereo_Count	2
44629654	Undefined_Atom_Stereo_Count	0
57750391	Undefined_Bond_Stereo_Count	0
13861740	Hydrogen_Bond_Acceptor_Count	5
25780	Rotatable_Bond_Count	7
3720192	Rotatable_Bond_Count	1
7365	Covalent_Unit_Count	1
86278352	Defined_Atom_Stereo_Count	1
6896	Structure_Complexity	80.6
77781	TPSA	77.9
629	Structure_Complexity	783
82441	Hydrogen_Bond_Acceptor_Count	12
139105	Hydrogen_Bond_Donor_Count	0
92450317	Defined_Bond_Stereo_Count	2
86256506	Rotatable_Bond_Count	2
75836	Hydrogen_Bond_Donor_Count	0
5318	TPSA	43.1
84787	Covalent_Unit_Count	1
242722	Hydrogen_Bond_Donor_Count	0
65565	Defined_Atom_Stereo_Count	0
969152	Defined_Atom_Stereo_Count	0
16362	Mono_Isotopic_Weight	461.22786888
5249	Defined_Atom_Stereo_Count	0
3050417	Undefined_Atom_Stereo_Count	1
11675994	Covalent_Unit_Count	1
3004	Hydrogen_Bond_Acceptor_Count	10
79856	Exact_Mass	166.062994177
905275	TPSA	66.5
44531649	Molecular_Weight	494.6
5289205	Isotope_Atom_Count	0
6433198	Covalent_Unit_Count	3
23665759	Total_Formal_Charge	0
20838642	Tautomer_Count	2
59330719	Undefined_Bond_Stereo_Count	0
3773	TPSA	49.3
11772257	Undefined_Atom_Stereo_Count	0
70687386	Covalent_Unit_Count	1
92851	Mono_Isotopic_Weight	121.01974964
24849132	Defined_Bond_Stereo_Count	0
11480403	Defined_Bond_Stereo_Count	0
135409836	Defined_Atom_Stereo_Count	2
3225	Covalent_Unit_Count	1
21718270	Mono_Isotopic_Weight	116.058577502
6335951	Defined_Bond_Stereo_Count	0
7567	TPSA	6.5
19100334	Hydrogen_Bond_Acceptor_Count	1
528603	Covalent_Unit_Count	1
25323	Non-hydrogen_Atom_Count	11
547678	Rotatable_Bond_Count	2
12304613	Structure_Complexity	207
97754	Hydrogen_Bond_Acceptor_Count	2
16683093	Mono_Isotopic_Weight	1055.93579
21071390	Rotatable_Bond_Count	9
54000569	Defined_Atom_Stereo_Count	0
48199	Isotope_Atom_Count	0
77313	Hydrogen_Bond_Donor_Count	0
69568	Exact_Mass	182.0822054
19272	Isotope_Atom_Count	0
91410652	Non-hydrogen_Atom_Count	8
689	Non-hydrogen_Atom_Count	28
3081884	Isotope_Atom_Count	0
121942	Exact_Mass	356.13186158
12198	Tautomer_Count	1
27236	Covalent_Unit_Count	1
121392876	Covalent_Unit_Count	1
62816	Non-hydrogen_Atom_Count	18
118855423	Structure_Complexity	726
10534621	Defined_Atom_Stereo_Count	0
5312153	Isotope_Atom_Count	0
5273472	Isotope_Atom_Count	0
65495	Hydrogen_Bond_Acceptor_Count	5
68361013	Hydrogen_Bond_Donor_Count	8
69333434	XLogP3-AA	0.9
69086581	TPSA	31
17356	Defined_Bond_Stereo_Count	0
156963344	Rotatable_Bond_Count	6
12613	XLogP3-AA	3.1
146157955	Undefined_Bond_Stereo_Count	0
524640	Structure_Complexity	96.6
5284350	Covalent_Unit_Count	1
705388	XLogP3-AA	3.8
18218195	Defined_Atom_Stereo_Count	0
16422	Molecular_Weight	366.00
13018409	Structure_Complexity	66.7
82129	Covalent_Unit_Count	1
3953	Non-hydrogen_Atom_Count	21
54705095	Hydrogen_Bond_Acceptor_Count	11
867	Molecular_Weight	104.06
15577855	Hydrogen_Bond_Donor_Count	0
11954310	Rotatable_Bond_Count	11
45046073	Structure_Complexity	47.2
3862645	Molecular_Weight	271.38
45120308	Defined_Bond_Stereo_Count	0
72441	TPSA	144
67125	Undefined_Atom_Stereo_Count	0
276123	Total_Formal_Charge	0
5731	Molecular_Weight	287.36
155804760	Rotatable_Bond_Count	7
18711391	TPSA	0
6857538	Tautomer_Count	1
20725980	Hydrogen_Bond_Donor_Count	0
17980829	Defined_Atom_Stereo_Count	0
615	Isotope_Atom_Count	0
13427567	Structure_Complexity	54.5
90477400	Non-hydrogen_Atom_Count	18
14946164	Defined_Bond_Stereo_Count	0
21932803	Mono_Isotopic_Weight	121.03884512
164034646	TPSA	47.6
2478	Undefined_Atom_Stereo_Count	0
91434	Undefined_Bond_Stereo_Count	0
638759	Defined_Bond_Stereo_Count	0
66082	Tautomer_Count	3
28639	Defined_Bond_Stereo_Count	0
8480	Mono_Isotopic_Weight	259.977826
5288033	Defined_Atom_Stereo_Count	0
443870	Defined_Atom_Stereo_Count	0
25243905	Undefined_Bond_Stereo_Count	0
657014	Structure_Complexity	185
7566944	Mono_Isotopic_Weight	342.11621151
41019	Non-hydrogen_Atom_Count	11
2735049	Defined_Bond_Stereo_Count	0
21127119	Defined_Atom_Stereo_Count	4
13804427	Structure_Complexity	91.9
1293762	Isotope_Atom_Count	0
14145	Total_Formal_Charge	0
7475	Hydrogen_Bond_Acceptor_Count	3
46193082	Mono_Isotopic_Weight	280.313001276
5927	TPSA	183
37678	Molecular_Weight	350.5
859122	Molecular_Weight	316.3
66487	Tautomer_Count	30
13306877	Exact_Mass	116.083729621
9445	Molecular_Weight	207.01
20884	Tautomer_Count	1
3481630	Hydrogen_Bond_Donor_Count	7
44072	Hydrogen_Bond_Donor_Count	0
14020410	Undefined_Atom_Stereo_Count	2
57163928	Defined_Atom_Stereo_Count	0
4332	Rotatable_Bond_Count	13
12335	Total_Formal_Charge	0
413528	Non-hydrogen_Atom_Count	19
98043898	Structure_Complexity	688
8494	Non-hydrogen_Atom_Count	12
131740853	Non-hydrogen_Atom_Count	36
237546	Hydrogen_Bond_Donor_Count	1
67472	Isotope_Atom_Count	0
7244	Isotope_Atom_Count	0
9959269	Defined_Bond_Stereo_Count	0
5354342	Hydrogen_Bond_Acceptor_Count	2
69100	Hydrogen_Bond_Acceptor_Count	2
11733	Hydrogen_Bond_Donor_Count	0
121494073	Undefined_Atom_Stereo_Count	0
952882	Isotope_Atom_Count	0
13342	Hydrogen_Bond_Acceptor_Count	12
67180	Hydrogen_Bond_Acceptor_Count	2
25171662	Undefined_Atom_Stereo_Count	0
54280	Undefined_Bond_Stereo_Count	0
915880	Mono_Isotopic_Weight	303.14839556
59567216	Undefined_Atom_Stereo_Count	0
6605	Hydrogen_Bond_Acceptor_Count	5
81097	Structure_Complexity	119
5357253	Non-hydrogen_Atom_Count	8
3532	Covalent_Unit_Count	1
11266523	TPSA	20.2
226057	Mono_Isotopic_Weight	269.120449483
78357784	Covalent_Unit_Count	1
70689385	Covalent_Unit_Count	1
12385064	Hydrogen_Bond_Donor_Count	0
24815434	Total_Formal_Charge	0
49865918	Defined_Atom_Stereo_Count	2
7570	Exact_Mass	250.074227566
1549018	XLogP3-AA	2.2
5364759	Defined_Atom_Stereo_Count	0
163090690	Rotatable_Bond_Count	11
18218196	Hydrogen_Bond_Acceptor_Count	6
57164232	Defined_Atom_Stereo_Count	0
88093945	Exact_Mass	416.32904526
5189	Undefined_Atom_Stereo_Count	0
23724913	Tautomer_Count	1
146490044	Mono_Isotopic_Weight	112.063662883
143714846	Defined_Atom_Stereo_Count	0
705485	XLogP3-AA	4
208	Mono_Isotopic_Weight	260.02971899
12096747	XLogP3-AA	3.9
10197622	Isotope_Atom_Count	0
45268380	Covalent_Unit_Count	2
56910	Undefined_Bond_Stereo_Count	0
1169	Non-hydrogen_Atom_Count	44
7296	Covalent_Unit_Count	1
46882191	Rotatable_Bond_Count	4
6887	Isotope_Atom_Count	0
3741	TPSA	200
67409219	Total_Formal_Charge	0
71454	Hydrogen_Bond_Acceptor_Count	2
53319741	Total_Formal_Charge	0
13023574	Mono_Isotopic_Weight	120.078644241
135398627	Tautomer_Count	9
60207729	Mono_Isotopic_Weight	113.022526347
9956	Undefined_Bond_Stereo_Count	0
53987564	Mono_Isotopic_Weight	117.042593085
281	Rotatable_Bond_Count	0
21721513	Molecular_Weight	92.14
69161653	Isotope_Atom_Count	0
62545	Defined_Bond_Stereo_Count	0
636398	Defined_Bond_Stereo_Count	0
116864150	Non-hydrogen_Atom_Count	8
5284656	Exact_Mass	176.083729621
25201794	Hydrogen_Bond_Donor_Count	0
8777	Undefined_Atom_Stereo_Count	0
5284580	Hydrogen_Bond_Donor_Count	7
5365910	Tautomer_Count	1
151093	Covalent_Unit_Count	1
5917	Exact_Mass	138.090546336
16070030	Undefined_Bond_Stereo_Count	0
158201	Rotatable_Bond_Count	2
5280053	Isotope_Atom_Count	0
389585	Undefined_Bond_Stereo_Count	0
82646	Hydrogen_Bond_Acceptor_Count	3
54525833	Defined_Bond_Stereo_Count	0
90192	Mono_Isotopic_Weight	534.17951205
6610	Tautomer_Count	4
11676516	Hydrogen_Bond_Acceptor_Count	7
20472034	Hydrogen_Bond_Donor_Count	0
135398650	Hydrogen_Bond_Acceptor_Count	10
5611	Undefined_Atom_Stereo_Count	1
148140	Molecular_Weight	161.20
5283155	TPSA	57.5
11448496	Undefined_Atom_Stereo_Count	0
16133899	Exact_Mass	6093.0853594
89886	Rotatable_Bond_Count	8
2372	Tautomer_Count	1
25150857	Covalent_Unit_Count	1
433	Total_Formal_Charge	0
101001463	Structure_Complexity	688
88142236	Rotatable_Bond_Count	4
46909057	Defined_Bond_Stereo_Count	0
15633846	Undefined_Atom_Stereo_Count	1
6439929	Rotatable_Bond_Count	0
71357579	Undefined_Atom_Stereo_Count	0
20705517	TPSA	3
6397	TPSA	0
54517091	Molecular_Weight	94.15
55244	Undefined_Atom_Stereo_Count	0
53670643	Exact_Mass	114.042927438
79724	Exact_Mass	330.09192877
44187	Undefined_Atom_Stereo_Count	0
25201827	Structure_Complexity	329
57888	Tautomer_Count	3
129864960	Defined_Atom_Stereo_Count	0
89980	Total_Formal_Charge	0
2224	XLogP3-AA	7.6
123228414	Hydrogen_Bond_Donor_Count	1
115011065	Defined_Atom_Stereo_Count	0
90479276	Structure_Complexity	1410
28950993	Total_Formal_Charge	0
163640634	Undefined_Bond_Stereo_Count	0
64108	Isotope_Atom_Count	0
19431	Molecular_Weight	273.12
31041	Non-hydrogen_Atom_Count	18
88300	Exact_Mass	296.19875937
24751	TPSA	25.1
15211200	Isotope_Atom_Count	0
39727	Hydrogen_Bond_Acceptor_Count	2
136642	Defined_Atom_Stereo_Count	0
6438376	Isotope_Atom_Count	0
89150	XLogP3	1.1
12040	Covalent_Unit_Count	1
12842600	Undefined_Atom_Stereo_Count	2
8527	Covalent_Unit_Count	1
129851390	Exact_Mass	580.15345715
637921	Total_Formal_Charge	0
28639	Defined_Atom_Stereo_Count	0
79008	Rotatable_Bond_Count	1
2101	TPSA	81.3
16125	Mono_Isotopic_Weight	175.9795702
3016390	Non-hydrogen_Atom_Count	8
10404073	Hydrogen_Bond_Acceptor_Count	3
76959035	Non-hydrogen_Atom_Count	23
86000267	Total_Formal_Charge	0
643836	Defined_Bond_Stereo_Count	1
316797	Isotope_Atom_Count	0
10432339	Covalent_Unit_Count	1
106428	Exact_Mass	220.1342410
73648	Mono_Isotopic_Weight	388.11581759
3788074	Isotope_Atom_Count	0
55802	Structure_Complexity	164
675085	Defined_Atom_Stereo_Count	0
25419	Undefined_Atom_Stereo_Count	0
71340855	Defined_Bond_Stereo_Count	0
743	TPSA	74.6
90779122	Total_Formal_Charge	0
18956015	Rotatable_Bond_Count	0
67656161	Undefined_Atom_Stereo_Count	1
68689	XLogP3-AA	3.2
56962215	Rotatable_Bond_Count	0
5364495	Hydrogen_Bond_Acceptor_Count	1
53477715	Mono_Isotopic_Weight	639.00812033
11500877	Covalent_Unit_Count	1
441477	Total_Formal_Charge	0
93032	Isotope_Atom_Count	0
163050682	Exact_Mass	284.16237386
71463826	Isotope_Atom_Count	0
91692850	Undefined_Bond_Stereo_Count	0
316249	Molecular_Weight	194.19
71651624	Exact_Mass	97.052763847
13203950	Total_Formal_Charge	0
79029	Undefined_Bond_Stereo_Count	0
137203329	Non-hydrogen_Atom_Count	13
34933	Rotatable_Bond_Count	4
5288615	Non-hydrogen_Atom_Count	26
6082	Undefined_Bond_Stereo_Count	0
544	Non-hydrogen_Atom_Count	4
3461	TPSA	108
2444	Structure_Complexity	258
23554324	Exact_Mass	103.063328530
10450027	Hydrogen_Bond_Donor_Count	8
11634458	Non-hydrogen_Atom_Count	34
1549004	Defined_Bond_Stereo_Count	1
10622871	Defined_Atom_Stereo_Count	1
168076	Isotope_Atom_Count	0
12298	Undefined_Atom_Stereo_Count	0
71341351	Undefined_Bond_Stereo_Count	1
62305	Hydrogen_Bond_Acceptor_Count	9
23180086	TPSA	43.4
53762327	Non-hydrogen_Atom_Count	9
23695905	Exact_Mass	243.08713759
60196333	Total_Formal_Charge	0
70991	Mono_Isotopic_Weight	180.078644241
13438401	Covalent_Unit_Count	1
19883347	Defined_Atom_Stereo_Count	0
118210118	Isotope_Atom_Count	0
682654	TPSA	41.9
56972198	Mono_Isotopic_Weight	282.0690539
9572720	Defined_Bond_Stereo_Count	1
59819	Total_Formal_Charge	1
32416	Rotatable_Bond_Count	1
194699	Hydrogen_Bond_Donor_Count	0
200	Mono_Isotopic_Weight	338.06275045
59146659	Hydrogen_Bond_Donor_Count	5
60152109	Molecular_Weight	691.0
135779828	Defined_Atom_Stereo_Count	0
25402	Defined_Atom_Stereo_Count	0
179342	Hydrogen_Bond_Donor_Count	0
177870	Exact_Mass	341.875353
30949	Undefined_Atom_Stereo_Count	0
57417458	Isotope_Atom_Count	0
12599129	Defined_Atom_Stereo_Count	0
60803	Hydrogen_Bond_Acceptor_Count	5
3032297	Rotatable_Bond_Count	3
9892481	Rotatable_Bond_Count	11
57358854	Exact_Mass	295.09245548
54708862	Undefined_Bond_Stereo_Count	0
53678703	Isotope_Atom_Count	0
87809064	Covalent_Unit_Count	1
65836	Isotope_Atom_Count	0
135491728	Rotatable_Bond_Count	9
33094	Defined_Bond_Stereo_Count	0
64048	Undefined_Atom_Stereo_Count	0
10338	Covalent_Unit_Count	1
57255355	Molecular_Weight	98.10
135761165	Molecular_Weight	439.4
4366	Molecular_Weight	188.23
9821547	Exact_Mass	386.17293854
318158	Undefined_Bond_Stereo_Count	0
5777	Isotope_Atom_Count	0
94191	Undefined_Bond_Stereo_Count	0
57438703	Defined_Bond_Stereo_Count	0
121639	Rotatable_Bond_Count	11
8991	Hydrogen_Bond_Donor_Count	1
25010550	Undefined_Atom_Stereo_Count	0
12749	Mono_Isotopic_Weight	82.053098200
18691	Mono_Isotopic_Weight	193.110278721
159832	Structure_Complexity	0
443944	Defined_Bond_Stereo_Count	0
66166	Structure_Complexity	226
72734332	Undefined_Bond_Stereo_Count	0
36314	TPSA	221
54300272	Total_Formal_Charge	0
722533	Molecular_Weight	292.31
18915596	TPSA	26
10700	Defined_Atom_Stereo_Count	0
71541292	Rotatable_Bond_Count	3
9015	Exact_Mass	124.052429494
12096001	Rotatable_Bond_Count	6
19522	Hydrogen_Bond_Donor_Count	2
170297	Structure_Complexity	48.9
135536952	Structure_Complexity	1100
89785	TPSA	97.6
44310707	XLogP3-AA	0.2
95739	TPSA	63.3
22033948	Hydrogen_Bond_Acceptor_Count	3
19082030	Covalent_Unit_Count	1
3540	Covalent_Unit_Count	1
10785	Hydrogen_Bond_Donor_Count	1
46225600	Hydrogen_Bond_Donor_Count	17
8154	Isotope_Atom_Count	0
74183	Total_Formal_Charge	0
23466227	Structure_Complexity	118
53321481	Defined_Atom_Stereo_Count	0
15188270	Defined_Bond_Stereo_Count	0
351795	Molecular_Weight	156.18
9138	TPSA	0
24699	Undefined_Bond_Stereo_Count	0
21843641	Isotope_Atom_Count	0
519382	Molecular_Weight	194.31
123187306	Rotatable_Bond_Count	1
67511	Defined_Bond_Stereo_Count	0
12262506	Rotatable_Bond_Count	4
134738658	Non-hydrogen_Atom_Count	29
5460348	TPSA	60.4
5460887	Defined_Bond_Stereo_Count	0
3091	Covalent_Unit_Count	1
77442653	Molecular_Weight	97.16
14536434	Defined_Bond_Stereo_Count	0
16318	Isotope_Atom_Count	0
618566	Exact_Mass	428.99761
59704100	Mono_Isotopic_Weight	116.083729621
9956127	XLogP3-AA	4.6
3082781	TPSA	46.3
10236005	Defined_Atom_Stereo_Count	1
4426	Exact_Mass	445.20015635
75341	Hydrogen_Bond_Donor_Count	1
11915	Undefined_Atom_Stereo_Count	0
538774	Rotatable_Bond_Count	4
443210	Covalent_Unit_Count	1
398640	Structure_Complexity	584
135491728	Isotope_Atom_Count	0
10798	Structure_Complexity	75.6
71364	Molecular_Weight	1304.5
398627	Undefined_Bond_Stereo_Count	0
42470	Mono_Isotopic_Weight	345.266779359
15904	Molecular_Weight	155.19
53728	Hydrogen_Bond_Donor_Count	0
403	Undefined_Atom_Stereo_Count	0
24946104	Defined_Bond_Stereo_Count	0
129012189	Rotatable_Bond_Count	7
17779928	Covalent_Unit_Count	1
57398253	Undefined_Atom_Stereo_Count	0
8449	Undefined_Bond_Stereo_Count	0
11626560	Non-hydrogen_Atom_Count	30
216259	Undefined_Atom_Stereo_Count	13
5288991	Undefined_Atom_Stereo_Count	0
24865390	Hydrogen_Bond_Acceptor_Count	4
10450027	TPSA	190
630227	Structure_Complexity	470
12527	Rotatable_Bond_Count	4
5885	Mono_Isotopic_Weight	743.07545344
19362293	Non-hydrogen_Atom_Count	7
3033690	Structure_Complexity	582
1524	XLogP3-AA	1.3
9925908	Hydrogen_Bond_Donor_Count	2
178096	Hydrogen_Bond_Donor_Count	2
23668516	Tautomer_Count	1
61038	XLogP3-AA	1.8
9785	Tautomer_Count	10
71186	Non-hydrogen_Atom_Count	20
83952	Isotope_Atom_Count	0
129653817	Exact_Mass	134.080169959
71587637	XLogP3-AA	3.9
5078908	TPSA	54.9
10415	Rotatable_Bond_Count	5
5280707	Defined_Bond_Stereo_Count	1
11568	Structure_Complexity	74.9
85945277	Mono_Isotopic_Weight	112.063662883
16907	Total_Formal_Charge	0
153386581	Exact_Mass	96.057514874
76631	Defined_Atom_Stereo_Count	0
86637	Hydrogen_Bond_Donor_Count	1
11635763	Hydrogen_Bond_Acceptor_Count	9
6009	Defined_Atom_Stereo_Count	0
8281	XLogP3	0.5
44264589	Tautomer_Count	1
80493933	Exact_Mass	98.048012819
523224	Hydrogen_Bond_Donor_Count	0
153623425	Defined_Bond_Stereo_Count	0
54557	XLogP3	2.8
23422066	Exact_Mass	162.05416083
24874	Mono_Isotopic_Weight	73.089149355
75354	TPSA	12.4
101619250	Hydrogen_Bond_Donor_Count	1
44225660	Hydrogen_Bond_Acceptor_Count	6
63624	Exact_Mass	480.0989181
126843179	Hydrogen_Bond_Donor_Count	4
23671430	Hydrogen_Bond_Acceptor_Count	3
4398339	Rotatable_Bond_Count	3
5311236	Total_Formal_Charge	0
20549002	Hydrogen_Bond_Donor_Count	0
68933	Exact_Mass	264.06809681
69601	Exact_Mass	116.062600255
23057	Total_Formal_Charge	0
86260793	Hydrogen_Bond_Donor_Count	2
54681908	TPSA	174
15758	Total_Formal_Charge	0
46229348	Defined_Atom_Stereo_Count	9
4175	XLogP3	5.2
51347104	Undefined_Bond_Stereo_Count	0
15951529	Defined_Atom_Stereo_Count	0
11073371	Exact_Mass	110.073164938
39976	Covalent_Unit_Count	1
6604189	TPSA	59.1
13393280	Rotatable_Bond_Count	3
16220111	Undefined_Atom_Stereo_Count	0
534838	Isotope_Atom_Count	0
153665501	Hydrogen_Bond_Acceptor_Count	0
12751986	Defined_Bond_Stereo_Count	0
11023	TPSA	281
23588	TPSA	35.2
4361	Exact_Mass	327.256214676
83346	Non-hydrogen_Atom_Count	8
21339024	Defined_Atom_Stereo_Count	0
142290	Tautomer_Count	1
5280970	Tautomer_Count	1
91143491	Rotatable_Bond_Count	0
16048613	Hydrogen_Bond_Donor_Count	3
70719	Structure_Complexity	74.9
124770286	Mono_Isotopic_Weight	665.30474055
13562	Covalent_Unit_Count	1
17783223	Undefined_Bond_Stereo_Count	0
141	Non-hydrogen_Atom_Count	34
6436148	Undefined_Bond_Stereo_Count	0
4048819	Mono_Isotopic_Weight	157.110278721
30619	Undefined_Bond_Stereo_Count	0
12003254	Hydrogen_Bond_Donor_Count	4
57306415	Isotope_Atom_Count	0
89990549	Non-hydrogen_Atom_Count	7
129651092	Mono_Isotopic_Weight	551.0560847
121763	XLogP3-AA	1
13276908	Hydrogen_Bond_Donor_Count	1
557495	TPSA	40.5
9823454	XLogP3-AA	4.2
3337411	Molecular_Weight	388.31
71268957	Total_Formal_Charge	0
13045210	Defined_Bond_Stereo_Count	0
37137	Tautomer_Count	1
25008941	Defined_Bond_Stereo_Count	0
23532162	Hydrogen_Bond_Acceptor_Count	1
54120990	Molecular_Weight	112.09
9855455	Hydrogen_Bond_Acceptor_Count	2
33311	Structure_Complexity	324
1578	Hydrogen_Bond_Acceptor_Count	1
4261	Defined_Atom_Stereo_Count	0
445678	Hydrogen_Bond_Acceptor_Count	1
139488	Total_Formal_Charge	0
6442439	Molecular_Weight	166.22
1511	Defined_Atom_Stereo_Count	0
7475	Mono_Isotopic_Weight	138.042927438
33068	Hydrogen_Bond_Donor_Count	1
20056950	Rotatable_Bond_Count	3
222549	Defined_Atom_Stereo_Count	4
13050832	Undefined_Bond_Stereo_Count	0
85116	Hydrogen_Bond_Acceptor_Count	8
63036	Non-hydrogen_Atom_Count	32
22308	Structure_Complexity	404
95592	Mono_Isotopic_Weight	174.104465066
44144434	Undefined_Bond_Stereo_Count	0
16395904	Isotope_Atom_Count	0
45117282	Isotope_Atom_Count	0
9738	Exact_Mass	182.09842830
15982151	Mono_Isotopic_Weight	467.21686904
53232451	Non-hydrogen_Atom_Count	26
12110098	Defined_Bond_Stereo_Count	0
3843	Isotope_Atom_Count	0
119259	Undefined_Bond_Stereo_Count	0
792	Rotatable_Bond_Count	5
10384259	Undefined_Bond_Stereo_Count	0
72304	Total_Formal_Charge	0
11320914	Hydrogen_Bond_Acceptor_Count	1
8658	Isotope_Atom_Count	0
54676538	Mono_Isotopic_Weight	694.0871524
15130858	Undefined_Atom_Stereo_Count	1
174512	Tautomer_Count	1
15904927	TPSA	52
513	Rotatable_Bond_Count	5
75834	Structure_Complexity	228
9504	Undefined_Bond_Stereo_Count	0
11142	Rotatable_Bond_Count	1
439231	Mono_Isotopic_Weight	74.036779430
4339626	Total_Formal_Charge	0
20055509	Mono_Isotopic_Weight	437.10491
19777659	Covalent_Unit_Count	1
9547196	Covalent_Unit_Count	1
158506	Rotatable_Bond_Count	4
59116084	Molecular_Weight	178.18
10326556	Structure_Complexity	1000
5352624	XLogP3	4.8
13426660	Molecular_Weight	292.11
89487	TPSA	20.2
9548714	Structure_Complexity	616
75318	Hydrogen_Bond_Donor_Count	1
638034	Structure_Complexity	596
9846339	Defined_Atom_Stereo_Count	0
66624275	Undefined_Atom_Stereo_Count	0
3014106	Hydrogen_Bond_Donor_Count	0
16048642	Isotope_Atom_Count	0
156417	Total_Formal_Charge	0
522417	Rotatable_Bond_Count	5
5311067	Exact_Mass	376.20498756
6979	Hydrogen_Bond_Donor_Count	1
11335	TPSA	20.2
22020761	TPSA	18.5
91855653	Rotatable_Bond_Count	4
82335	TPSA	52.3
642781	Hydrogen_Bond_Donor_Count	0
920	Molecular_Weight	232.23
11829356	Molecular_Weight	86.09
10486803	Defined_Bond_Stereo_Count	0
446987	Defined_Atom_Stereo_Count	2
60155	Rotatable_Bond_Count	4
135983	Non-hydrogen_Atom_Count	11
45479834	Total_Formal_Charge	0
9929799	Structure_Complexity	706
5497174	Hydrogen_Bond_Donor_Count	3
3024461	Rotatable_Bond_Count	5
54405	Undefined_Bond_Stereo_Count	0
4468	Exact_Mass	1268.0156085
665263	Rotatable_Bond_Count	5
15988075	Hydrogen_Bond_Donor_Count	3
93285	Isotope_Atom_Count	0
5742832	Covalent_Unit_Count	1
60196336	Total_Formal_Charge	0
5959	Hydrogen_Bond_Acceptor_Count	5
91276	Total_Formal_Charge	0
687	Hydrogen_Bond_Donor_Count	5
5289295	Tautomer_Count	1
19165	Hydrogen_Bond_Donor_Count	0
265776	XLogP3-AA	0.5
2334	Covalent_Unit_Count	1
9962	Molecular_Weight	154.26
76823989	Hydrogen_Bond_Donor_Count	0
657378	Undefined_Bond_Stereo_Count	0
45351	Mono_Isotopic_Weight	277.1233420
76302	XLogP3	4.9
72462	Hydrogen_Bond_Donor_Count	2
6419706	Tautomer_Count	1
11974440	Undefined_Bond_Stereo_Count	0
10772937	Isotope_Atom_Count	0
13399	Tautomer_Count	13
774	TPSA	54.7
18542107	Undefined_Atom_Stereo_Count	0
18303	TPSA	26.3
132274667	Undefined_Atom_Stereo_Count	1
87929779	Structure_Complexity	151
13062961	Hydrogen_Bond_Acceptor_Count	2
638026	Rotatable_Bond_Count	4
6914152	XLogP3-AA	5.1
38207	Structure_Complexity	371
54515893	Rotatable_Bond_Count	3
92279	Undefined_Atom_Stereo_Count	0
54757209	Exact_Mass	508.1699750
688267	Defined_Atom_Stereo_Count	2
667684	Hydrogen_Bond_Donor_Count	1
3348	Undefined_Bond_Stereo_Count	0
65124	Undefined_Atom_Stereo_Count	0
18327244	Defined_Bond_Stereo_Count	0
6539020	Undefined_Atom_Stereo_Count	0
11386	Covalent_Unit_Count	1
90937445	TPSA	240
616631	Undefined_Bond_Stereo_Count	0
67258795	Hydrogen_Bond_Donor_Count	0
14266	Structure_Complexity	122
57517	Isotope_Atom_Count	0
4613278	Undefined_Atom_Stereo_Count	0
13991589	Hydrogen_Bond_Acceptor_Count	16
9690	Undefined_Bond_Stereo_Count	0
22608833	Total_Formal_Charge	0
6436449	Total_Formal_Charge	0
19606817	Molecular_Weight	96.13
189782	Hydrogen_Bond_Acceptor_Count	5
25244048	Defined_Atom_Stereo_Count	0
10429254	Defined_Bond_Stereo_Count	4
221	Hydrogen_Bond_Acceptor_Count	8
9988	Molecular_Weight	106.10
10464824	Non-hydrogen_Atom_Count	12
10236	Undefined_Bond_Stereo_Count	0
77801	Mono_Isotopic_Weight	150.115698455
68297	XLogP3-AA	2.8
52948174	TPSA	77.2
38668	Rotatable_Bond_Count	3
1633595	Rotatable_Bond_Count	0
77022	TPSA	28.7
70696332	Undefined_Bond_Stereo_Count	0
449459	TPSA	32.7
92563	Exact_Mass	166.135765193
70070	Exact_Mass	411.92994806
66254	Defined_Bond_Stereo_Count	0
6539026	Non-hydrogen_Atom_Count	31
558341	Total_Formal_Charge	0
37125	Rotatable_Bond_Count	8
86488	Non-hydrogen_Atom_Count	17
23642227	Total_Formal_Charge	0
598760	Molecular_Weight	397.1
4964	Rotatable_Bond_Count	2
23663407	Hydrogen_Bond_Donor_Count	0
9909912	Structure_Complexity	108
88098	Rotatable_Bond_Count	3
135509079	Undefined_Bond_Stereo_Count	0
10197668	Mono_Isotopic_Weight	117.078978594
74106	XLogP3-AA	4.5
142906448	Non-hydrogen_Atom_Count	8
89283371	Undefined_Atom_Stereo_Count	0
398513	Hydrogen_Bond_Acceptor_Count	10
84363	Mono_Isotopic_Weight	350.0855767
3715	Tautomer_Count	5
91250151	Defined_Atom_Stereo_Count	0
8626	Exact_Mass	891.9734866
65708	Exact_Mass	190.074227566
520326	XLogP3-AA	3.2
8480	Hydrogen_Bond_Donor_Count	4
92834	XLogP3-AA	2.5
4549	Mono_Isotopic_Weight	300.11100700
70608	XLogP3-AA	1.8
19878	Rotatable_Bond_Count	1
249414	TPSA	34
9904746	Structure_Complexity	108
4735	Undefined_Atom_Stereo_Count	0
54459	Hydrogen_Bond_Donor_Count	1
101835694	Non-hydrogen_Atom_Count	7
21692	Structure_Complexity	461
78075	Hydrogen_Bond_Acceptor_Count	7
44474	TPSA	38.8
89300333	Structure_Complexity	111
4943	Total_Formal_Charge	0
6419708	Mono_Isotopic_Weight	300.208930132
11001426	Undefined_Bond_Stereo_Count	0
72257	Tautomer_Count	3
89335	Undefined_Bond_Stereo_Count	1
71459166	Hydrogen_Bond_Acceptor_Count	4
10275789	Rotatable_Bond_Count	4
441243	Rotatable_Bond_Count	13
119097769	Structure_Complexity	125
10867	XLogP3-AA	3.9
62766	Total_Formal_Charge	0
197712	Isotope_Atom_Count	0
11710	Undefined_Atom_Stereo_Count	1
23087	TPSA	50.1
77935	Undefined_Atom_Stereo_Count	0
11886769	Hydrogen_Bond_Donor_Count	8
44395101	XLogP3-AA	4.5
12074193	Rotatable_Bond_Count	6
12904	Mono_Isotopic_Weight	300.0432331
95805	Hydrogen_Bond_Donor_Count	2
71782	Total_Formal_Charge	0
98941	Hydrogen_Bond_Donor_Count	0
11480402	Structure_Complexity	89.5
51356843	Isotope_Atom_Count	0
308140	Mono_Isotopic_Weight	374.07903816
78440	Exact_Mass	362.09498026
31336	Defined_Bond_Stereo_Count	0
18521191	Molecular_Weight	97.16
54680695	Defined_Atom_Stereo_Count	2
55291579	Exact_Mass	113.058911855
57642398	Non-hydrogen_Atom_Count	7
17517	Defined_Atom_Stereo_Count	0
94570	Total_Formal_Charge	0
174341	XLogP3	5.9
21906940	Structure_Complexity	510
123512955	Covalent_Unit_Count	1
63119	XLogP3-AA	1.5
14919832	TPSA	26
60196318	Hydrogen_Bond_Acceptor_Count	2
5354487	Mono_Isotopic_Weight	85.052763847
9826520	Undefined_Bond_Stereo_Count	0
1355	Rotatable_Bond_Count	1
17480032	Rotatable_Bond_Count	0
23642	Undefined_Bond_Stereo_Count	0
23937	Molecular_Weight	190.2
65798	Non-hydrogen_Atom_Count	33
3489	Hydrogen_Bond_Acceptor_Count	6
136891	Undefined_Atom_Stereo_Count	0
86637	Covalent_Unit_Count	1
6426699	Hydrogen_Bond_Donor_Count	1
117045595	TPSA	29.1
83335	Rotatable_Bond_Count	2
20154146	Covalent_Unit_Count	1
121586	Hydrogen_Bond_Donor_Count	6
39709	Mono_Isotopic_Weight	331.12421471
5385498	Non-hydrogen_Atom_Count	30
18636	TPSA	18.5
44578693	Defined_Atom_Stereo_Count	1
69332648	Hydrogen_Bond_Donor_Count	2
6151	Hydrogen_Bond_Donor_Count	2
9849490	Undefined_Atom_Stereo_Count	1
774	Defined_Atom_Stereo_Count	0
71721420	Rotatable_Bond_Count	1
9236	Defined_Bond_Stereo_Count	0
67156338	TPSA	107
676486	Defined_Bond_Stereo_Count	0
182092	Structure_Complexity	136
27124	Hydrogen_Bond_Acceptor_Count	3
12602	Covalent_Unit_Count	1
5289159	Undefined_Bond_Stereo_Count	0
102007713	Rotatable_Bond_Count	15
9019	Defined_Atom_Stereo_Count	0
134693050	TPSA	272
1340	Molecular_Weight	161.16
11804701	Undefined_Atom_Stereo_Count	0
15625	Total_Formal_Charge	0
123680261	Defined_Bond_Stereo_Count	0
44145008	Non-hydrogen_Atom_Count	10
7200	XLogP3	1.5
5282229	Defined_Bond_Stereo_Count	2
7405	Defined_Bond_Stereo_Count	0
59703148	Structure_Complexity	64.7
68294	TPSA	66.5
13516401	Total_Formal_Charge	0
19604274	Mono_Isotopic_Weight	192.05349212
8017	Non-hydrogen_Atom_Count	5
474523	Defined_Bond_Stereo_Count	0
15388649	Undefined_Atom_Stereo_Count	1
909	Undefined_Atom_Stereo_Count	1
117715670	Defined_Bond_Stereo_Count	0
11581936	Molecular_Weight	392.5
12598086	Undefined_Bond_Stereo_Count	0
16051584	Undefined_Atom_Stereo_Count	1
4443516	Undefined_Atom_Stereo_Count	1
10931381	Defined_Atom_Stereo_Count	0
7621	Defined_Atom_Stereo_Count	0
135444614	Mono_Isotopic_Weight	350.18550935
8689	Total_Formal_Charge	0
77082	Mono_Isotopic_Weight	393.077760
154416437	Rotatable_Bond_Count	0
19073879	TPSA	43.1
26470411	Total_Formal_Charge	0
9892481	Undefined_Atom_Stereo_Count	0
87367	Exact_Mass	293.16584950
88133875	Structure_Complexity	75.7
119098214	Molecular_Weight	98.14
968625	Rotatable_Bond_Count	4
7129	Mono_Isotopic_Weight	172.088815002
123373137	Undefined_Bond_Stereo_Count	0
66711	Covalent_Unit_Count	1
118318030	Defined_Atom_Stereo_Count	15
101946434	TPSA	0
5078	Undefined_Atom_Stereo_Count	0
70111342	Structure_Complexity	67.4
132201306	Exact_Mass	1201.84136802
14171936	Covalent_Unit_Count	1
26514	Rotatable_Bond_Count	6
135476260	Non-hydrogen_Atom_Count	32
21180	Non-hydrogen_Atom_Count	16
8482	Total_Formal_Charge	0
18062	Structure_Complexity	167
3938668	Structure_Complexity	283
444698	Mono_Isotopic_Weight	393.10347926
34239	Rotatable_Bond_Count	2
366731	Non-hydrogen_Atom_Count	18
129628281	Isotope_Atom_Count	0
15789	Defined_Atom_Stereo_Count	0
71449988	Undefined_Bond_Stereo_Count	0
46552	Defined_Bond_Stereo_Count	0
7674	Tautomer_Count	1
74859	Undefined_Atom_Stereo_Count	0
2585	Defined_Bond_Stereo_Count	0
19993419	Hydrogen_Bond_Donor_Count	1
8365	Defined_Atom_Stereo_Count	0
521280	Tautomer_Count	1
227541	Total_Formal_Charge	0
11137142	Exact_Mass	117.0009064
11407637	Hydrogen_Bond_Donor_Count	1
5363229	Rotatable_Bond_Count	4
612687	Covalent_Unit_Count	1
87592747	Mono_Isotopic_Weight	113.084063974
9926054	Undefined_Atom_Stereo_Count	0
35372055	Defined_Bond_Stereo_Count	0
5610	Mono_Isotopic_Weight	137.084063974
139109	Isotope_Atom_Count	0
11962143	TPSA	129
1084	Exact_Mass	111.92888620
14103059	Hydrogen_Bond_Acceptor_Count	12
3584	XLogP3-AA	2.7
1028	Total_Formal_Charge	0
18366133	Isotope_Atom_Count	0
413539	Hydrogen_Bond_Acceptor_Count	6
20140	Hydrogen_Bond_Acceptor_Count	1
27195	Hydrogen_Bond_Acceptor_Count	1
44395101	Mono_Isotopic_Weight	480.21614077
139133	Covalent_Unit_Count	1
6994	XLogP3	1.6
9835303	Defined_Atom_Stereo_Count	7
656615	Molecular_Weight	358.5
4683	Undefined_Bond_Stereo_Count	0
17863	Covalent_Unit_Count	2
16036788	Defined_Atom_Stereo_Count	1
320294	Structure_Complexity	207
2734686	Hydrogen_Bond_Acceptor_Count	2
9940690	Covalent_Unit_Count	1
9800065	Molecular_Weight	381.4
5489638	Hydrogen_Bond_Donor_Count	2
67507057	Exact_Mass	116.058577502
8949	Isotope_Atom_Count	0
211468	Covalent_Unit_Count	1
3776755	Undefined_Bond_Stereo_Count	0
18431843	Non-hydrogen_Atom_Count	7
2787	Hydrogen_Bond_Acceptor_Count	6
3510	Structure_Complexity	442
17407	Hydrogen_Bond_Acceptor_Count	3
447377	Undefined_Bond_Stereo_Count	0
84647654	Defined_Bond_Stereo_Count	0
44123551	Defined_Bond_Stereo_Count	1
72200877	Mono_Isotopic_Weight	559.34100693
2826731	Non-hydrogen_Atom_Count	18
96420	Defined_Bond_Stereo_Count	0
15950520	Undefined_Bond_Stereo_Count	0
439846	Hydrogen_Bond_Acceptor_Count	2
10866295	TPSA	52
440552	Isotope_Atom_Count	0
7571	Isotope_Atom_Count	0
131874127	Hydrogen_Bond_Acceptor_Count	4
53845104	Undefined_Atom_Stereo_Count	0
23689390	TPSA	81.6
11737	Rotatable_Bond_Count	0
153929914	Defined_Atom_Stereo_Count	0
90181814	Covalent_Unit_Count	1
119391	Isotope_Atom_Count	0
101524	Undefined_Atom_Stereo_Count	0
54871	Covalent_Unit_Count	2
54129211	Rotatable_Bond_Count	1
25142309	Hydrogen_Bond_Donor_Count	2
20484	Hydrogen_Bond_Acceptor_Count	6
143047391	Undefined_Atom_Stereo_Count	0
444360	Covalent_Unit_Count	1
6539304	Isotope_Atom_Count	0
668620	TPSA	66.1
10428273	Covalent_Unit_Count	1
363121	Isotope_Atom_Count	0
54675864	Defined_Bond_Stereo_Count	0
2485	Exact_Mass	555.27517176
24884197	Rotatable_Bond_Count	1
17995822	Isotope_Atom_Count	0
13730	Non-hydrogen_Atom_Count	18
24802551	Defined_Bond_Stereo_Count	0
139449	Undefined_Atom_Stereo_Count	0
70713	Molecular_Weight	85.10
65871	Hydrogen_Bond_Donor_Count	2
14913584	Molecular_Weight	106.13
27872	Undefined_Atom_Stereo_Count	0
153812620	Covalent_Unit_Count	1
54594622	Total_Formal_Charge	0
9236	Defined_Atom_Stereo_Count	0
12136798	Rotatable_Bond_Count	6
16551	Structure_Complexity	31.5
46214236	Covalent_Unit_Count	2
5284572	Isotope_Atom_Count	0
76134	Rotatable_Bond_Count	3
146681110	Defined_Atom_Stereo_Count	9
48080	Exact_Mass	419.1288213
20169	Undefined_Bond_Stereo_Count	0
320294	Isotope_Atom_Count	0
10654175	Covalent_Unit_Count	1
12217323	Defined_Atom_Stereo_Count	0
46835725	Undefined_Atom_Stereo_Count	0
22086	Defined_Atom_Stereo_Count	0
37239	Undefined_Bond_Stereo_Count	0
12303662	Mono_Isotopic_Weight	414.386166214
7005019	Covalent_Unit_Count	1
71448903	Hydrogen_Bond_Donor_Count	9
44564	Molecular_Weight	311.63
163727	Undefined_Atom_Stereo_Count	0
133665799	Defined_Atom_Stereo_Count	0
67495	Structure_Complexity	181
60871	Hydrogen_Bond_Donor_Count	1
23306082	Non-hydrogen_Atom_Count	20
2218	Non-hydrogen_Atom_Count	24
53318409	Total_Formal_Charge	0
70851	Hydrogen_Bond_Acceptor_Count	0
64919786	Undefined_Atom_Stereo_Count	1
6722	Tautomer_Count	6
507	TPSA	251
494937	Exact_Mass	345.08082906
53694476	Defined_Bond_Stereo_Count	0
8114	Defined_Atom_Stereo_Count	0
135348034	Isotope_Atom_Count	0
162349	Tautomer_Count	1
146887978	Undefined_Atom_Stereo_Count	1
18139	Hydrogen_Bond_Acceptor_Count	4
28080	Isotope_Atom_Count	0
11214	Covalent_Unit_Count	1
91617630	Non-hydrogen_Atom_Count	28
23647685	Mono_Isotopic_Weight	677.37884898
57406720	TPSA	71.6
3038525	Non-hydrogen_Atom_Count	28
83822	Molecular_Weight	388.8
2777229	Molecular_Weight	115.13
463365	Exact_Mass	522.28824308
2042	Isotope_Atom_Count	0
129704588	Hydrogen_Bond_Donor_Count	3
6960	Hydrogen_Bond_Donor_Count	0
443928	XLogP3	2.5
8079	Non-hydrogen_Atom_Count	6
8296	Defined_Bond_Stereo_Count	0
71517700	Non-hydrogen_Atom_Count	34
4232	Hydrogen_Bond_Acceptor_Count	11
56949747	Defined_Atom_Stereo_Count	4
101209	Mono_Isotopic_Weight	131.037113783
2697	Non-hydrogen_Atom_Count	37
3033832	TPSA	145
149790	Hydrogen_Bond_Donor_Count	2
70589	Total_Formal_Charge	0
12749319	Undefined_Atom_Stereo_Count	1
3480590	Defined_Bond_Stereo_Count	0
74523	Molecular_Weight	172.27
160458	Rotatable_Bond_Count	0
104938	Covalent_Unit_Count	2
8323	Mono_Isotopic_Weight	239.058243149
54456063	XLogP3-AA	0.7
15619838	Structure_Complexity	109
5371246	Undefined_Atom_Stereo_Count	8
5323652	Defined_Bond_Stereo_Count	1
100156	Molecular_Weight	346.29
12210218	Total_Formal_Charge	0
54177139	Undefined_Bond_Stereo_Count	0
19540	Mono_Isotopic_Weight	140.156500638
123609380	Total_Formal_Charge	0
121249	Covalent_Unit_Count	1
5360970	Exact_Mass	369.23039385
61833	Tautomer_Count	1
638186	Mono_Isotopic_Weight	95.9533555
162651	Non-hydrogen_Atom_Count	3
5702162	Non-hydrogen_Atom_Count	25
138062	Undefined_Bond_Stereo_Count	0
3593277	Covalent_Unit_Count	1
84072504	Mono_Isotopic_Weight	113.047678466
11210173	XLogP3-AA	6.2
5288494	Defined_Atom_Stereo_Count	0
6775	Isotope_Atom_Count	0
12233709	Hydrogen_Bond_Donor_Count	0
22149470	TPSA	29
172717	Undefined_Bond_Stereo_Count	0
3823887	Molecular_Weight	811.0
54587656	Mono_Isotopic_Weight	388.05922923
7212	XLogP3	3.8
102019	Isotope_Atom_Count	0
1207	Total_Formal_Charge	0
125461706	Isotope_Atom_Count	0
61900360	Rotatable_Bond_Count	1
136873	Mono_Isotopic_Weight	99.068413911
125409	Non-hydrogen_Atom_Count	10
11967800	Defined_Atom_Stereo_Count	0
24989869	Defined_Bond_Stereo_Count	0
17842350	Defined_Atom_Stereo_Count	0
38911	Covalent_Unit_Count	2
68901489	Structure_Complexity	97.3
18195	Covalent_Unit_Count	1
3907	Rotatable_Bond_Count	25
31315	Undefined_Bond_Stereo_Count	0
51021	Total_Formal_Charge	0
45259044	Undefined_Atom_Stereo_Count	0
9356	Isotope_Atom_Count	0
2679179	Defined_Bond_Stereo_Count	0
21150622	Defined_Atom_Stereo_Count	0
3014084	Exact_Mass	99.032028402
66597	Hydrogen_Bond_Donor_Count	1
11643926	Covalent_Unit_Count	1
20439427	Hydrogen_Bond_Donor_Count	1
4657547	Tautomer_Count	1
5352845	XLogP3-AA	4.6
84169	Defined_Atom_Stereo_Count	0
49652396	Non-hydrogen_Atom_Count	85
154689	XLogP3-AA	2.9
12096	XLogP3-AA	4.3
54544690	Isotope_Atom_Count	0
65223	Defined_Atom_Stereo_Count	0
154225133	Defined_Bond_Stereo_Count	0
88984133	Hydrogen_Bond_Acceptor_Count	3
15129	Hydrogen_Bond_Donor_Count	1
11945	Non-hydrogen_Atom_Count	13
67258704	XLogP3-AA	0.7
6484678	Exact_Mass	188.058577502
9577	Exact_Mass	222.08045576
638071	Hydrogen_Bond_Acceptor_Count	0
77114	Total_Formal_Charge	0
285886	Exact_Mass	284.120115130
42301	Undefined_Bond_Stereo_Count	0
103074361	Molecular_Weight	101.15
143331072	Covalent_Unit_Count	1
443953	Covalent_Unit_Count	1
630	Covalent_Unit_Count	1
44338979	Exact_Mass	498.13168558
16220015	Molecular_Weight	360.4
25174148	Undefined_Atom_Stereo_Count	0
43935	Defined_Atom_Stereo_Count	0
419490	Isotope_Atom_Count	0
69158	Hydrogen_Bond_Acceptor_Count	4
21021867	Isotope_Atom_Count	0
11040724	Non-hydrogen_Atom_Count	10
139062042	Rotatable_Bond_Count	4
4093	Exact_Mass	86.036779430
162883447	Defined_Bond_Stereo_Count	0
22918788	Mono_Isotopic_Weight	88.052429494
950480	Undefined_Atom_Stereo_Count	0
101248703	Exact_Mass	362.13655304
5283134	Tautomer_Count	4
75018	Undefined_Bond_Stereo_Count	0
14484	Tautomer_Count	2
6538991	XLogP3-AA	4
8407	Undefined_Bond_Stereo_Count	0
13794992	Hydrogen_Bond_Donor_Count	0
18622347	Defined_Atom_Stereo_Count	0
72506564	Undefined_Atom_Stereo_Count	0
22061693	Non-hydrogen_Atom_Count	8
135747285	Defined_Bond_Stereo_Count	1
7530950	Hydrogen_Bond_Donor_Count	0
140990	Hydrogen_Bond_Acceptor_Count	0
141848669	Covalent_Unit_Count	1
23681107	Rotatable_Bond_Count	5
32872	Exact_Mass	345.11636642
58411	Molecular_Weight	385.9
8983	Undefined_Atom_Stereo_Count	0
278150	Structure_Complexity	98.7
15311	Rotatable_Bond_Count	5
71455277	Non-hydrogen_Atom_Count	35
10964421	Total_Formal_Charge	0
9047	Rotatable_Bond_Count	4
33295	XLogP3-AA	2
73919	Hydrogen_Bond_Donor_Count	4
1218	Hydrogen_Bond_Acceptor_Count	3
73442840	Isotope_Atom_Count	6
15801221	Covalent_Unit_Count	1
21263577	Total_Formal_Charge	0
3034393	Hydrogen_Bond_Donor_Count	2
123619430	Structure_Complexity	82.6
67108485	Mono_Isotopic_Weight	99.068413911
66199	Hydrogen_Bond_Donor_Count	0
5375618	Defined_Bond_Stereo_Count	1
18387331	Defined_Bond_Stereo_Count	0
48229	Non-hydrogen_Atom_Count	30
133083713	Hydrogen_Bond_Acceptor_Count	2
9865515	Exact_Mass	396.16985928
12555	TPSA	30.3
53325875	Hydrogen_Bond_Acceptor_Count	6
7017101	Exact_Mass	124.063662883
446066	Rotatable_Bond_Count	36
56886	Molecular_Weight	275.3
53818193	Covalent_Unit_Count	1
903755	Undefined_Atom_Stereo_Count	0
6769	Hydrogen_Bond_Donor_Count	1
6420040	Non-hydrogen_Atom_Count	23
65717	Structure_Complexity	915
5230726	Mono_Isotopic_Weight	264.175224706
9811353	Exact_Mass	862.34118563
31390	Undefined_Atom_Stereo_Count	0
74066	Hydrogen_Bond_Donor_Count	2
74413	Isotope_Atom_Count	0
21513403	Defined_Bond_Stereo_Count	0
7421	Non-hydrogen_Atom_Count	10
12967	Exact_Mass	117.053826475
18102	Rotatable_Bond_Count	1
20689	Rotatable_Bond_Count	6
10217	Exact_Mass	337.13140809
15066029	Molecular_Weight	116.16
840260	Structure_Complexity	400
22507733	Structure_Complexity	52
154109602	Undefined_Atom_Stereo_Count	2
517000	Hydrogen_Bond_Acceptor_Count	8
25142172	Hydrogen_Bond_Donor_Count	2
61743	Defined_Atom_Stereo_Count	0
11660	Molecular_Weight	112.98
38666	TPSA	16.1
131801164	Mono_Isotopic_Weight	453.18346091
68030	Undefined_Atom_Stereo_Count	0
95997	Undefined_Atom_Stereo_Count	0
51763	Covalent_Unit_Count	2
11126249	Mono_Isotopic_Weight	124.088815002
40826	Hydrogen_Bond_Acceptor_Count	4
5249538	Exact_Mass	138.091889006
71834	Tautomer_Count	2
5289613	Total_Formal_Charge	0
42611	Covalent_Unit_Count	2
13858	Defined_Atom_Stereo_Count	0
6332110	Hydrogen_Bond_Donor_Count	0
30550	Structure_Complexity	651
118318030	Covalent_Unit_Count	1
122670	Mono_Isotopic_Weight	159.079647300
9961878	Defined_Bond_Stereo_Count	0
66137	Tautomer_Count	1
16217	Defined_Atom_Stereo_Count	0
90735699	Undefined_Bond_Stereo_Count	0
267769	Tautomer_Count	1
1074953	Non-hydrogen_Atom_Count	22
130475683	Covalent_Unit_Count	1
43997	Defined_Atom_Stereo_Count	0
13046622	Undefined_Atom_Stereo_Count	0
9416	Hydrogen_Bond_Donor_Count	0
246476	Structure_Complexity	496
16061135	TPSA	98
62379	Mono_Isotopic_Weight	355.18746
8089	Structure_Complexity	308
18974460	Total_Formal_Charge	0
53964574	Defined_Bond_Stereo_Count	0
543129	Hydrogen_Bond_Donor_Count	1
4643	Total_Formal_Charge	1
61101	Tautomer_Count	1
9303	Structure_Complexity	323
979919	Undefined_Atom_Stereo_Count	0
86083878	Defined_Bond_Stereo_Count	0
23687325	Defined_Atom_Stereo_Count	4
78847	Non-hydrogen_Atom_Count	11
7181	Defined_Bond_Stereo_Count	0
49771529	Hydrogen_Bond_Donor_Count	0
134751826	Hydrogen_Bond_Acceptor_Count	14
83645	TPSA	52.6
55716	Covalent_Unit_Count	2
12933763	Hydrogen_Bond_Donor_Count	1
12704953	Isotope_Atom_Count	0
54235966	Hydrogen_Bond_Acceptor_Count	0
7511	Structure_Complexity	59.5
21784	Covalent_Unit_Count	3
6473739	Undefined_Bond_Stereo_Count	0
124956	TPSA	59.1
107669	Non-hydrogen_Atom_Count	14
54585642	Total_Formal_Charge	0
136010411	Mono_Isotopic_Weight	109.03884512
20341223	Molecular_Weight	99.17
192706	Mono_Isotopic_Weight	337.17902698
14309	Undefined_Atom_Stereo_Count	0
18992283	Non-hydrogen_Atom_Count	18
8839	Rotatable_Bond_Count	15
737	Hydrogen_Bond_Donor_Count	7
115763542	Mono_Isotopic_Weight	99.032028402
3084447	Defined_Bond_Stereo_Count	0
70693538	TPSA	136
23005646	Exact_Mass	111.079647300
11018809	Defined_Atom_Stereo_Count	0
353481	TPSA	245
14739174	Non-hydrogen_Atom_Count	8
3015210	Hydrogen_Bond_Acceptor_Count	2
19867655	Non-hydrogen_Atom_Count	8
131704225	Structure_Complexity	192
21719209	Exact_Mass	109.063997236
19768867	Total_Formal_Charge	0
66726	Total_Formal_Charge	0
398652	Hydrogen_Bond_Donor_Count	0
60154326	Non-hydrogen_Atom_Count	24
96359	XLogP3-AA	3.1
4624	XLogP3-AA	0.2
11149677	Non-hydrogen_Atom_Count	15
300166	XLogP3-AA	1.7
92386	Exact_Mass	248.14124450
3082131	Isotope_Atom_Count	0
11345692	Total_Formal_Charge	0
92806	Non-hydrogen_Atom_Count	24
69408	TPSA	35.5
129652927	Total_Formal_Charge	0
11664966	Isotope_Atom_Count	0
4711	Molecular_Weight	308.14
135456058	Molecular_Weight	516.6
6909	Defined_Bond_Stereo_Count	0
6432434	Defined_Bond_Stereo_Count	1
5464924	TPSA	230
10883551	Exact_Mass	100.052429494
6603122	Isotope_Atom_Count	0
33309	Isotope_Atom_Count	0
85708088	Undefined_Atom_Stereo_Count	0
15478	Mono_Isotopic_Weight	390.24062418
15783596	Isotope_Atom_Count	0
24229456	Defined_Atom_Stereo_Count	0
13138140	Mono_Isotopic_Weight	612.07668989
159027	Molecular_Weight	127.18
3052776	Undefined_Bond_Stereo_Count	0
72899	Total_Formal_Charge	0
138611145	Defined_Bond_Stereo_Count	0
32052	Total_Formal_Charge	0
9841259	XLogP3-AA	4.1
928685	Exact_Mass	311.11575802
10105	Mono_Isotopic_Weight	188.14124450
135431249	Non-hydrogen_Atom_Count	8
57286318	Structure_Complexity	141
92159	Defined_Atom_Stereo_Count	0
2378	Hydrogen_Bond_Donor_Count	0
688570	Total_Formal_Charge	0
592	Rotatable_Bond_Count	21
65991760	Hydrogen_Bond_Donor_Count	1
99382	Undefined_Atom_Stereo_Count	0
16857	Molecular_Weight	499.81
11332423	Undefined_Bond_Stereo_Count	0
89708952	Defined_Atom_Stereo_Count	0
6450830	Rotatable_Bond_Count	8
202792	Defined_Atom_Stereo_Count	0
21107383	Structure_Complexity	485
9907412	Hydrogen_Bond_Acceptor_Count	4
75073	Covalent_Unit_Count	1
25271790	Hydrogen_Bond_Acceptor_Count	5
129737769	Total_Formal_Charge	0
268488	TPSA	92.4
17799937	Structure_Complexity	78.1
5284518	Exact_Mass	348.23727013
142559332	Exact_Mass	111.068413911
137490	XLogP3-AA	2.7
11659	Mono_Isotopic_Weight	239.77438
135418283	Defined_Bond_Stereo_Count	1
12803	Non-hydrogen_Atom_Count	12
92162	Covalent_Unit_Count	1
71517700	Covalent_Unit_Count	1
9543026	TPSA	389
44629484	Undefined_Atom_Stereo_Count	0
1206	Tautomer_Count	1
441278	Defined_Atom_Stereo_Count	3
10654193	Structure_Complexity	110
36014	Exact_Mass	285.10921
99798	Covalent_Unit_Count	1
5288101	Rotatable_Bond_Count	3
19469	Isotope_Atom_Count	0
9893	TPSA	26.3
79161	TPSA	0
44345559	TPSA	46.9
9855548	Hydrogen_Bond_Donor_Count	2
216261	Undefined_Atom_Stereo_Count	2
7407	Total_Formal_Charge	0
8868	Tautomer_Count	5
7503	Total_Formal_Charge	0
6432746	Covalent_Unit_Count	1
15009279	Hydrogen_Bond_Acceptor_Count	3
39186	Exact_Mass	414.16132849
19938019	Undefined_Atom_Stereo_Count	0
170501	Defined_Atom_Stereo_Count	0
5518	Structure_Complexity	380
9958995	XLogP3-AA	6.5
52942503	Mono_Isotopic_Weight	385.0418534
347271	Total_Formal_Charge	0
101050964	Undefined_Atom_Stereo_Count	2
5460161	Hydrogen_Bond_Donor_Count	1
96261	XLogP3	3
68316842	Defined_Atom_Stereo_Count	0
11953897	Exact_Mass	1322.0938467
253878	Non-hydrogen_Atom_Count	7
5359563	Defined_Atom_Stereo_Count	0
79577298	TPSA	29.5
23532160	Structure_Complexity	94.5
9859365	Exact_Mass	225.115364102
8846	Structure_Complexity	97.1
129847313	Mono_Isotopic_Weight	381.19400834
927	Exact_Mass	543.07675980
14104	Undefined_Atom_Stereo_Count	0
5323604	Rotatable_Bond_Count	2
62418	TPSA	63.3
13032471	Hydrogen_Bond_Donor_Count	0
122672078	Molecular_Weight	112.17
6324604	Defined_Bond_Stereo_Count	1
12598074	Non-hydrogen_Atom_Count	14
18918215	Exact_Mass	121.01974964
135121698	Structure_Complexity	258
13610389	Total_Formal_Charge	0
50918929	Undefined_Bond_Stereo_Count	0
55286809	Hydrogen_Bond_Acceptor_Count	2
797972	Undefined_Bond_Stereo_Count	0
13198436	Defined_Atom_Stereo_Count	0
441236	Mono_Isotopic_Weight	746.31717767
463543	Rotatable_Bond_Count	1
136419	Isotope_Atom_Count	0
39929	Undefined_Bond_Stereo_Count	0
8138	Isotope_Atom_Count	0
16574	Structure_Complexity	662
16272	Mono_Isotopic_Weight	180.95271
91754428	Rotatable_Bond_Count	7
22542	Rotatable_Bond_Count	12
85942939	Defined_Atom_Stereo_Count	0
60148392	Non-hydrogen_Atom_Count	27
7067874	Undefined_Bond_Stereo_Count	0
62330	Molecular_Weight	380.4
90712721	Molecular_Weight	95.14
7826	Total_Formal_Charge	0
18414892	Hydrogen_Bond_Acceptor_Count	4
87476740	Isotope_Atom_Count	0
5225	Undefined_Atom_Stereo_Count	0
91180913	Hydrogen_Bond_Acceptor_Count	3
72728690	TPSA	33
191109	Exact_Mass	131.037113783
62232603	XLogP3-AA	0
141865851	Undefined_Bond_Stereo_Count	0
133562458	Undefined_Atom_Stereo_Count	1
54346078	Hydrogen_Bond_Donor_Count	0
13781592	Total_Formal_Charge	0
9863672	Rotatable_Bond_Count	2
102552746	Molecular_Weight	416.6
68099567	Exact_Mass	98.084398327
1549120	Structure_Complexity	519
59149828	Undefined_Atom_Stereo_Count	0
123792	Mono_Isotopic_Weight	680.35336251
15293	Undefined_Atom_Stereo_Count	0
70046010	Structure_Complexity	108
52105	Defined_Bond_Stereo_Count	0
89741632	Defined_Bond_Stereo_Count	0
136219154	Total_Formal_Charge	0
24825264	Hydrogen_Bond_Acceptor_Count	7
11601544	Hydrogen_Bond_Acceptor_Count	2
14939431	Structure_Complexity	66.6
50923	Isotope_Atom_Count	0
96135	Tautomer_Count	12
153976605	Defined_Atom_Stereo_Count	0
54321	TPSA	18.8
16682987	Exact_Mass	346.2663731
7088	Tautomer_Count	1
12636118	Defined_Bond_Stereo_Count	0
118578546	Molecular_Weight	100.16
75057	Total_Formal_Charge	1
725692	Undefined_Atom_Stereo_Count	0
6918988	Isotope_Atom_Count	0
10657292	XLogP3	0.2
2226	Hydrogen_Bond_Acceptor_Count	15
12794201	Exact_Mass	97.052763847
34170	Exact_Mass	150.068079557
21932893	Total_Formal_Charge	0
537344	Defined_Atom_Stereo_Count	0
1120	Covalent_Unit_Count	1
726370	Mono_Isotopic_Weight	322.17149925
1498	Molecular_Weight	327.4
2763214	Defined_Atom_Stereo_Count	0
135516644	Structure_Complexity	301
9950891	Undefined_Bond_Stereo_Count	0
11040724	Structure_Complexity	180
3528	Exact_Mass	670.42333957
57401195	Non-hydrogen_Atom_Count	30
46225290	Total_Formal_Charge	0
2724588	Rotatable_Bond_Count	1
13432443	Isotope_Atom_Count	0
8112	Defined_Atom_Stereo_Count	0
627458	Defined_Atom_Stereo_Count	0
4435	Exact_Mass	406.25079494
136231689	Covalent_Unit_Count	1
55289794	Covalent_Unit_Count	1
59903796	Mono_Isotopic_Weight	100.052429494
520445	Molecular_Weight	118.13
68023	Rotatable_Bond_Count	1
62705690	Molecular_Weight	443.4
47825	Defined_Bond_Stereo_Count	0
129010061	Undefined_Bond_Stereo_Count	0
89292361	Defined_Atom_Stereo_Count	0
9826528	Rotatable_Bond_Count	7
17841522	Undefined_Bond_Stereo_Count	0
483407	Structure_Complexity	751
142022	Undefined_Bond_Stereo_Count	0
64832	Molecular_Weight	190.28
11627212	XLogP3-AA	9.4
3250	Structure_Complexity	535
59296077	Undefined_Bond_Stereo_Count	0
160419	Non-hydrogen_Atom_Count	8
163427338	Mono_Isotopic_Weight	99.068413911
16227342	Structure_Complexity	116
23465004	TPSA	20.2
6059	Mono_Isotopic_Weight	236.246378268
3047787	Non-hydrogen_Atom_Count	25
95904	Undefined_Atom_Stereo_Count	0
78557	Covalent_Unit_Count	1
2807869	Hydrogen_Bond_Donor_Count	2
14130	Structure_Complexity	212
59569908	Molecular_Weight	112.13
13765439	Exact_Mass	163.03031432
6409	Structure_Complexity	38.5
41733	Undefined_Atom_Stereo_Count	1
5362689	Isotope_Atom_Count	0
7563	Hydrogen_Bond_Acceptor_Count	1
45117185	Non-hydrogen_Atom_Count	15
67278	Total_Formal_Charge	0
8906	Non-hydrogen_Atom_Count	18
3571	Hydrogen_Bond_Donor_Count	3
5249	XLogP3-AA	6.2
134834579	Total_Formal_Charge	0
541661	XLogP3-AA	1.1
54227233	Defined_Bond_Stereo_Count	0
71500036	Structure_Complexity	395
141076555	Exact_Mass	99.068413911
2724103	Molecular_Weight	155.15
19802062	TPSA	64.2
11722286	TPSA	222
75657	Defined_Atom_Stereo_Count	0
61867	Molecular_Weight	256.17
33515	Hydrogen_Bond_Donor_Count	0
60196352	Isotope_Atom_Count	0
42626880	Mono_Isotopic_Weight	616.34721450
11689	Mono_Isotopic_Weight	487.88950
88006	Hydrogen_Bond_Donor_Count	1
98615047	XLogP3-AA	4
2763	Undefined_Bond_Stereo_Count	0
10436952	Undefined_Atom_Stereo_Count	1
13804426	Defined_Atom_Stereo_Count	0
21893797	XLogP3-AA	0.8
2943	Hydrogen_Bond_Donor_Count	0
134976	Mono_Isotopic_Weight	222.08920892
86851	Molecular_Weight	160.21
1466	Rotatable_Bond_Count	6
110976	Covalent_Unit_Count	1
56840998	Exact_Mass	418.013115
11228650	Exact_Mass	1202.74992724
5280352	Molecular_Weight	584.7
9255	Exact_Mass	69.021463719
14690973	Mono_Isotopic_Weight	170.130679813
53910938	Exact_Mass	108.093900383
4616292	Undefined_Bond_Stereo_Count	0
543129	Covalent_Unit_Count	1
8909	Mono_Isotopic_Weight	130.135765193
4340561	Undefined_Atom_Stereo_Count	0
136274	TPSA	26
135779828	Covalent_Unit_Count	1
1629	Undefined_Bond_Stereo_Count	0
6965	Hydrogen_Bond_Acceptor_Count	1
25116	Molecular_Weight	212.67
57864687	Total_Formal_Charge	0
10953450	Molecular_Weight	110.11
46936966	Hydrogen_Bond_Donor_Count	8
44590403	Covalent_Unit_Count	1
68770	Undefined_Atom_Stereo_Count	1
20526784	Hydrogen_Bond_Donor_Count	2
90264	Tautomer_Count	5
4038	Isotope_Atom_Count	0
5347	Covalent_Unit_Count	1
13848133	Structure_Complexity	72.1
13531445	Hydrogen_Bond_Acceptor_Count	2
46783224	Structure_Complexity	969
101626738	Isotope_Atom_Count	0
656598	Isotope_Atom_Count	0
7489	Defined_Bond_Stereo_Count	0
4228493	XLogP3-AA	1.8
61718	Hydrogen_Bond_Donor_Count	0
119195	Non-hydrogen_Atom_Count	21
12268623	Covalent_Unit_Count	1
83572	Mono_Isotopic_Weight	134.0498427
162904206	Undefined_Atom_Stereo_Count	0
23680486	Hydrogen_Bond_Acceptor_Count	5
674754	Undefined_Bond_Stereo_Count	0
24678	Non-hydrogen_Atom_Count	21
85824359	Exact_Mass	108.093900383
14866914	Hydrogen_Bond_Acceptor_Count	3
782	Undefined_Atom_Stereo_Count	1
86388	TPSA	70.3
11267	Covalent_Unit_Count	1
9257	Undefined_Atom_Stereo_Count	0
6509724	Mono_Isotopic_Weight	534.2132792
41463	Molecular_Weight	378.9
21307	Tautomer_Count	10
57565697	Total_Formal_Charge	0
66663660	Undefined_Atom_Stereo_Count	0
11261	Total_Formal_Charge	0
5476	Non-hydrogen_Atom_Count	21
82728	Undefined_Atom_Stereo_Count	0
12097317	Undefined_Atom_Stereo_Count	2
8499	Non-hydrogen_Atom_Count	12
339496	Covalent_Unit_Count	1
70520512	Non-hydrogen_Atom_Count	8
57827330	Rotatable_Bond_Count	4
10700	Covalent_Unit_Count	1
5743396	Mono_Isotopic_Weight	113.02992040
6702	Undefined_Atom_Stereo_Count	0
21835817	Non-hydrogen_Atom_Count	7
135487652	Isotope_Atom_Count	0
84081255	Non-hydrogen_Atom_Count	8
135413494	Hydrogen_Bond_Donor_Count	2
150899	Undefined_Atom_Stereo_Count	0
9854012	Isotope_Atom_Count	0
123745949	Rotatable_Bond_Count	2
89187987	Total_Formal_Charge	0
5845	Exact_Mass	387.13675280
144702	Total_Formal_Charge	0
22836366	Exact_Mass	181.06966484
6918580	Isotope_Atom_Count	0
411	Defined_Atom_Stereo_Count	0
6883	Total_Formal_Charge	0
65094	Covalent_Unit_Count	1
9841	Defined_Bond_Stereo_Count	0
12596294	Covalent_Unit_Count	1
162344793	Hydrogen_Bond_Acceptor_Count	9
9604	Tautomer_Count	1
82418980	Rotatable_Bond_Count	1
5486198	Molecular_Weight	276.03
14724482	Structure_Complexity	2720
13194811	Exact_Mass	344.23514488
66840	Covalent_Unit_Count	1
24254960	Exact_Mass	112.063662883
307977	Undefined_Bond_Stereo_Count	0
6646	Non-hydrogen_Atom_Count	22
163962080	Rotatable_Bond_Count	1
10697956	Undefined_Bond_Stereo_Count	0
61329	Rotatable_Bond_Count	3
24759314	Defined_Bond_Stereo_Count	0
546996	Hydrogen_Bond_Acceptor_Count	1
58126	Undefined_Atom_Stereo_Count	3
3002	Total_Formal_Charge	0
70692035	Non-hydrogen_Atom_Count	27
5284534	Non-hydrogen_Atom_Count	52
446200	Defined_Bond_Stereo_Count	0
546	Hydrogen_Bond_Acceptor_Count	5
444031	Covalent_Unit_Count	1
11712649	Defined_Atom_Stereo_Count	0
224167	Exact_Mass	306.01980921
43493	Undefined_Bond_Stereo_Count	1
12287	Defined_Bond_Stereo_Count	0
15301081	Defined_Bond_Stereo_Count	0
65604	XLogP3-AA	10.7
21581715	TPSA	43.1
773	Molecular_Weight	155.15
12008703	Mono_Isotopic_Weight	105.057849228
834519	Undefined_Atom_Stereo_Count	0
135391135	XLogP3-AA	6.8
4521392	Hydrogen_Bond_Acceptor_Count	5
54428	Molecular_Weight	360.9
60155100	Hydrogen_Bond_Acceptor_Count	7
57364	TPSA	56.3
134919	Covalent_Unit_Count	1
79418	Structure_Complexity	90.3
9889867	Structure_Complexity	669
53316418	Hydrogen_Bond_Donor_Count	0
524215	TPSA	0
49	Covalent_Unit_Count	1
60196383	Defined_Atom_Stereo_Count	0
11083833	Covalent_Unit_Count	1
10299410	TPSA	70.2
18570	Exact_Mass	220.157563266
21932803	Defined_Bond_Stereo_Count	0
13394149	Non-hydrogen_Atom_Count	30
197861	Exact_Mass	195.162314293
439302	Structure_Complexity	1870
652019	XLogP3-AA	3.2
154734215	Defined_Bond_Stereo_Count	0
67303	Isotope_Atom_Count	0
154574495	Covalent_Unit_Count	1
25828	Covalent_Unit_Count	1
403646	Rotatable_Bond_Count	2
71453747	Undefined_Atom_Stereo_Count	0
60196393	Covalent_Unit_Count	2
24586	TPSA	88.6
54682938	Mono_Isotopic_Weight	527.22676502
6683	Rotatable_Bond_Count	0
305560	TPSA	41.6
54739	Non-hydrogen_Atom_Count	23
969472	Hydrogen_Bond_Donor_Count	0
23236224	Defined_Bond_Stereo_Count	0
142912303	Undefined_Atom_Stereo_Count	0
1414	Rotatable_Bond_Count	12
25273236	Undefined_Bond_Stereo_Count	0
16224058	Hydrogen_Bond_Donor_Count	2
4685	Total_Formal_Charge	0
572086	XLogP3-AA	0.7
636362	Exact_Mass	533.1452592
273577	Mono_Isotopic_Weight	248.131348519
11970447	Exact_Mass	352.2029893
439260	Exact_Mass	169.07389321
2735122	Rotatable_Bond_Count	0
500	Mono_Isotopic_Weight	145.085126602
58691	Covalent_Unit_Count	2
459294	Hydrogen_Bond_Donor_Count	2
203433	Undefined_Atom_Stereo_Count	0
11400707	Undefined_Bond_Stereo_Count	0
57112474	Molecular_Weight	114.19
7475	XLogP3	1.4
3639	Non-hydrogen_Atom_Count	17
839562	Molecular_Weight	316.4
154496967	Hydrogen_Bond_Donor_Count	8
165157	Hydrogen_Bond_Donor_Count	16
101616630	Hydrogen_Bond_Donor_Count	2
824060	Undefined_Bond_Stereo_Count	0
139079010	Isotope_Atom_Count	0
123630	Molecular_Weight	300.29
101008927	Hydrogen_Bond_Acceptor_Count	2
5458497	Undefined_Bond_Stereo_Count	0
40390	Rotatable_Bond_Count	3
3276	Hydrogen_Bond_Acceptor_Count	5
93896	XLogP3-AA	5.6
12271363	Defined_Atom_Stereo_Count	0
10750	Covalent_Unit_Count	3
6871216	Hydrogen_Bond_Acceptor_Count	10
114840	Exact_Mass	271.12084340
801066	XLogP3-AA	3.6
38081	Covalent_Unit_Count	1
465951	Molecular_Weight	353.4
53910819	Molecular_Weight	98.14
54487968	Defined_Atom_Stereo_Count	0
53630039	Hydrogen_Bond_Donor_Count	0
57707	Hydrogen_Bond_Acceptor_Count	3
2818146	Undefined_Bond_Stereo_Count	0
93050	Rotatable_Bond_Count	3
12895043	Covalent_Unit_Count	1
7293	Isotope_Atom_Count	0
543885	Defined_Bond_Stereo_Count	0
19594968	Hydrogen_Bond_Donor_Count	2
71972	Isotope_Atom_Count	0
62388	Hydrogen_Bond_Donor_Count	0
5460364	TPSA	57.2
25203153	Undefined_Atom_Stereo_Count	0
17131	Defined_Atom_Stereo_Count	0
45488101	XLogP3-AA	4.4
1379	Total_Formal_Charge	0
3036261	Covalent_Unit_Count	1
89976630	Structure_Complexity	124
17445	Mono_Isotopic_Weight	264.07799279
10347891	Non-hydrogen_Atom_Count	39
485482	Molecular_Weight	309.4
323188	Hydrogen_Bond_Acceptor_Count	2
6537493	Rotatable_Bond_Count	8
123704723	TPSA	17.1
19392414	TPSA	61.8
17326	Mono_Isotopic_Weight	98.109550447
3465817	Rotatable_Bond_Count	3
14256301	XLogP3-AA	0.9
75786	Non-hydrogen_Atom_Count	16
74278	Defined_Atom_Stereo_Count	0
12046	TPSA	74.6
74581	Exact_Mass	161.02992040
8865	Mono_Isotopic_Weight	147.97484710
86233	Covalent_Unit_Count	1
498033	XLogP3	2.6
93036	Exact_Mass	385.95146
9890377	Undefined_Atom_Stereo_Count	2
19212	Defined_Atom_Stereo_Count	10
398148	Defined_Atom_Stereo_Count	0
123217920	Molecular_Weight	98.10
11630056	Non-hydrogen_Atom_Count	18
16219954	Hydrogen_Bond_Donor_Count	0
101103333	Undefined_Bond_Stereo_Count	0
12969	Non-hydrogen_Atom_Count	6
61081	Isotope_Atom_Count	0
15940870	Exact_Mass	232.109944368
439207	Structure_Complexity	1210
11637983	Total_Formal_Charge	0
69851383	Undefined_Bond_Stereo_Count	1
18684903	Non-hydrogen_Atom_Count	8
91414	XLogP3-AA	3
10308	Covalent_Unit_Count	1
60852	Structure_Complexity	342
756229	Non-hydrogen_Atom_Count	24
15817734	Defined_Bond_Stereo_Count	0
71739	Molecular_Weight	298.4
127748	Tautomer_Count	8
6763	Molecular_Weight	208.21
8350	Covalent_Unit_Count	1
19704592	Total_Formal_Charge	0
82593532	TPSA	20.3
16212969	Exact_Mass	416.05303648
85983	Total_Formal_Charge	0
6392641	Exact_Mass	824.368622
79123	Structure_Complexity	77.8
5461012	Molecular_Weight	253.40
139242912	Non-hydrogen_Atom_Count	57
2775641	Exact_Mass	114.068079557
71818	Total_Formal_Charge	0
44310436	Undefined_Atom_Stereo_Count	0
90473211	Defined_Atom_Stereo_Count	6
56678998	Exact_Mass	420.20738760
129747104	Hydrogen_Bond_Acceptor_Count	3
5717801	Molecular_Weight	479.8
4268635	Structure_Complexity	121
398635	XLogP3-AA	5
87532690	Structure_Complexity	83.4
5475462	Exact_Mass	153.151749610
9887712	Covalent_Unit_Count	1
245005	TPSA	153
10761	Total_Formal_Charge	0
93189	Exact_Mass	178.135765193
643544	Structure_Complexity	80.2
88598101	TPSA	29.6
6578	Hydrogen_Bond_Acceptor_Count	1
11607904	Defined_Bond_Stereo_Count	0
5081	Non-hydrogen_Atom_Count	24
1650	Undefined_Atom_Stereo_Count	3
10442251	Non-hydrogen_Atom_Count	13
67124	Non-hydrogen_Atom_Count	21
4188	Rotatable_Bond_Count	6
137704528	Defined_Atom_Stereo_Count	1
6433118	Isotope_Atom_Count	0
54033886	Isotope_Atom_Count	0
54684286	Exact_Mass	243.07428713
10160238	Total_Formal_Charge	0
7656	Undefined_Bond_Stereo_Count	0
3539116	Mono_Isotopic_Weight	140.97752722
3388301	Mono_Isotopic_Weight	218.9615744
9972	Covalent_Unit_Count	1
12868608	Rotatable_Bond_Count	0
58044734	Rotatable_Bond_Count	0
139820	Molecular_Weight	100.12
7566642	TPSA	1
11804674	Mono_Isotopic_Weight	82.041864811
5281621	Structure_Complexity	789
95566292	Hydrogen_Bond_Acceptor_Count	3
92258	Isotope_Atom_Count	0
41555	Defined_Atom_Stereo_Count	0
667639	Defined_Atom_Stereo_Count	0
73744469	Molecular_Weight	582.0
557049	Undefined_Atom_Stereo_Count	3
14388559	Tautomer_Count	5
38037	Non-hydrogen_Atom_Count	15
61341	Molecular_Weight	146.14
73695606	TPSA	55.1
13631121	Defined_Bond_Stereo_Count	0
6074	Mono_Isotopic_Weight	313.17384498
54372438	Hydrogen_Bond_Donor_Count	0
23667630	Defined_Atom_Stereo_Count	3
82650926	Covalent_Unit_Count	1
6432459	Structure_Complexity	432
131750205	Molecular_Weight	1104.6
6537201	Hydrogen_Bond_Acceptor_Count	3
135887820	Mono_Isotopic_Weight	876.45207349
28931	Undefined_Atom_Stereo_Count	1
9548619	Undefined_Atom_Stereo_Count	0
445691	Structure_Complexity	146
19367743	Hydrogen_Bond_Donor_Count	1
15209694	Covalent_Unit_Count	1
409347	Rotatable_Bond_Count	7
11815817	Undefined_Atom_Stereo_Count	0
142210	TPSA	35.5
16695	Isotope_Atom_Count	0
23665763	Defined_Atom_Stereo_Count	0
8246	Rotatable_Bond_Count	3
9535	Defined_Bond_Stereo_Count	0
44392087	Isotope_Atom_Count	0
14022481	Hydrogen_Bond_Donor_Count	2
188914	Exact_Mass	274.1003540
70681	Tautomer_Count	1
70034662	Hydrogen_Bond_Acceptor_Count	1
71196	Molecular_Weight	387.5
346327	TPSA	29.1
4500	Undefined_Atom_Stereo_Count	1
15517313	Exact_Mass	689.64509729
5546	TPSA	130
23681141	Total_Formal_Charge	0
10855416	Mono_Isotopic_Weight	112.088815002
4523766	Isotope_Atom_Count	0
117709	Undefined_Bond_Stereo_Count	0
11966124	Total_Formal_Charge	0
24744	Total_Formal_Charge	0
1201551	Tautomer_Count	1
44557636	Hydrogen_Bond_Donor_Count	0
156595906	Undefined_Atom_Stereo_Count	8
202050	Hydrogen_Bond_Acceptor_Count	1
71	Hydrogen_Bond_Donor_Count	2
60201265	Undefined_Atom_Stereo_Count	0
2968	Total_Formal_Charge	2
10820493	Undefined_Atom_Stereo_Count	0
1238	Isotope_Atom_Count	0
493662	TPSA	331
13378967	Hydrogen_Bond_Donor_Count	0
12820045	TPSA	20.2
82622	TPSA	126
20055352	Rotatable_Bond_Count	1
16414	Mono_Isotopic_Weight	334.0906621
129009962	Non-hydrogen_Atom_Count	115
25244048	Covalent_Unit_Count	1
5283349	Undefined_Atom_Stereo_Count	0
11970143	Undefined_Bond_Stereo_Count	0
72187	Tautomer_Count	3
48041	Mono_Isotopic_Weight	352.215078140
96356	Exact_Mass	219.9935200
71511839	Total_Formal_Charge	0
24877326	Total_Formal_Charge	0
6451143	TPSA	131
53720955	Exact_Mass	109.052763847
534496	Hydrogen_Bond_Donor_Count	0
158385	Exact_Mass	1148.43169
638071	Molecular_Weight	82.14
22962	Tautomer_Count	2
118855920	Exact_Mass	184.08265126
70686373	Hydrogen_Bond_Acceptor_Count	6
69779590	Non-hydrogen_Atom_Count	7
44452442	Undefined_Atom_Stereo_Count	1
79576984	Rotatable_Bond_Count	4
3575	Undefined_Bond_Stereo_Count	0
969462	Undefined_Bond_Stereo_Count	0
18952630	Structure_Complexity	52
403016	Structure_Complexity	775
261407	Hydrogen_Bond_Donor_Count	1
11850899	Covalent_Unit_Count	1
12627075	Covalent_Unit_Count	1
131704225	Non-hydrogen_Atom_Count	13
69189	Tautomer_Count	1
22833874	Undefined_Bond_Stereo_Count	0
72200720	Undefined_Atom_Stereo_Count	0
24848345	Defined_Atom_Stereo_Count	0
5746249	Non-hydrogen_Atom_Count	33
12132	Mono_Isotopic_Weight	208.100048391
11512	Molecular_Weight	114.23
8053	Undefined_Bond_Stereo_Count	0
7257	XLogP3	2.7
9295	Total_Formal_Charge	0
47320	Molecular_Weight	1243.5
11126230	Covalent_Unit_Count	1
22648408	Mono_Isotopic_Weight	116.047344113
5826	Undefined_Bond_Stereo_Count	0
6063	Total_Formal_Charge	0
60810	TPSA	60.9
75552	Isotope_Atom_Count	0
44310065	Hydrogen_Bond_Donor_Count	1
46936357	Exact_Mass	632.26332572
68260833	Rotatable_Bond_Count	0
134129158	Mono_Isotopic_Weight	336.97721
6083	Defined_Atom_Stereo_Count	4
141516912	Hydrogen_Bond_Donor_Count	0
44758	Defined_Atom_Stereo_Count	0
155346	Hydrogen_Bond_Donor_Count	3
162652	TPSA	93.4
53683774	Isotope_Atom_Count	0
5978	XLogP3	2.8
179697	Undefined_Bond_Stereo_Count	0
57913	Molecular_Weight	132.23
35775	Defined_Bond_Stereo_Count	0
19284	XLogP3	8
9805	Non-hydrogen_Atom_Count	12
6328163	Mono_Isotopic_Weight	500.0545926
101071970	Total_Formal_Charge	0
36034	Non-hydrogen_Atom_Count	23
6436126	Undefined_Bond_Stereo_Count	0
106	Mono_Isotopic_Weight	185.00892397
5355457	Covalent_Unit_Count	1
5392139	Hydrogen_Bond_Donor_Count	1
41892	XLogP3-AA	2.3
105036	Rotatable_Bond_Count	1
27189	Hydrogen_Bond_Acceptor_Count	2
76138368	Undefined_Bond_Stereo_Count	0
5879	Structure_Complexity	459
19966769	Molecular_Weight	100.08
519726	Hydrogen_Bond_Donor_Count	1
441344	Undefined_Bond_Stereo_Count	0
11977152	Mono_Isotopic_Weight	191.1845299
10599	Undefined_Atom_Stereo_Count	1
15084875	Defined_Bond_Stereo_Count	0
6440176	Undefined_Bond_Stereo_Count	0
2590	Undefined_Atom_Stereo_Count	8
11268547	Non-hydrogen_Atom_Count	25
74710	Undefined_Bond_Stereo_Count	0
2735086	Undefined_Atom_Stereo_Count	0
519726	TPSA	41.6
30885	Hydrogen_Bond_Acceptor_Count	4
52949543	Molecular_Weight	439.4
2803172	Total_Formal_Charge	0
9941306	Defined_Atom_Stereo_Count	9
11287722	Defined_Bond_Stereo_Count	0
7423	Mono_Isotopic_Weight	138.042927438
5284342	Defined_Bond_Stereo_Count	0
194699	Defined_Bond_Stereo_Count	0
7469	Undefined_Bond_Stereo_Count	0
58186	Undefined_Bond_Stereo_Count	0
6485793	Undefined_Atom_Stereo_Count	0
11560	Undefined_Atom_Stereo_Count	0
12200	Total_Formal_Charge	0
133017	Isotope_Atom_Count	0
76223445	Hydrogen_Bond_Donor_Count	1
54706667	Exact_Mass	203.03443370
108424	Exact_Mass	212.214015512
14647552	Non-hydrogen_Atom_Count	9
712421	TPSA	63.3
98044763	Hydrogen_Bond_Acceptor_Count	5
71821	XLogP3-AA	4.1
54691185	Isotope_Atom_Count	0
10290812	Covalent_Unit_Count	1
50543	Covalent_Unit_Count	1
69362	Exact_Mass	118.062994177
21972128	Covalent_Unit_Count	1
45026	Hydrogen_Bond_Donor_Count	3
135459645	XLogP3-AA	0.1
10899282	TPSA	110
21492268	Defined_Atom_Stereo_Count	0
146743267	Defined_Atom_Stereo_Count	0
196129	Undefined_Bond_Stereo_Count	0
2171	Tautomer_Count	8
596244	XLogP3-AA	3.8
68234591	XLogP3-AA	1.1
53316398	Hydrogen_Bond_Donor_Count	3
55917	Undefined_Atom_Stereo_Count	0
310360	Mono_Isotopic_Weight	309.05834059
82528	Exact_Mass	280.240230259
37015	Total_Formal_Charge	0
75786	Mono_Isotopic_Weight	224.177630004
6350	Covalent_Unit_Count	1
67944	Hydrogen_Bond_Donor_Count	1
25271812	Hydrogen_Bond_Acceptor_Count	2
25142312	Hydrogen_Bond_Acceptor_Count	3
13413802	Defined_Bond_Stereo_Count	0
239215	Total_Formal_Charge	0
5103	Mono_Isotopic_Weight	516.17841785
22065216	Molecular_Weight	83.05
6607	Rotatable_Bond_Count	1
93171	Rotatable_Bond_Count	1
18504387	Undefined_Bond_Stereo_Count	0
123704723	Rotatable_Bond_Count	1
18670	Rotatable_Bond_Count	22
71312102	Covalent_Unit_Count	5
57077963	Undefined_Bond_Stereo_Count	1
124159	Isotope_Atom_Count	0
1479277	Defined_Bond_Stereo_Count	0
91438571	Mono_Isotopic_Weight	105.057849228
21466942	Hydrogen_Bond_Acceptor_Count	3
25094630	Covalent_Unit_Count	1
31767	Mono_Isotopic_Weight	274.18925731
25137873	Isotope_Atom_Count	0
443936	Defined_Atom_Stereo_Count	8
125368	Hydrogen_Bond_Acceptor_Count	2
65376195	Undefined_Atom_Stereo_Count	0
9299	Isotope_Atom_Count	0
83891	Defined_Bond_Stereo_Count	0
133741	TPSA	52.6
23664294	Structure_Complexity	290
9964065	Tautomer_Count	2
145567316	Molecular_Weight	99.13
516892	Isotope_Atom_Count	0
46783795	Mono_Isotopic_Weight	514.22028266
522708	Covalent_Unit_Count	1
1264	Defined_Bond_Stereo_Count	0
9903853	TPSA	67
40218	Exact_Mass	293.19909372
9919816	Hydrogen_Bond_Acceptor_Count	11
131740853	Exact_Mass	563.13188
97109339	Exact_Mass	106.041864811
68129	XLogP3-AA	0
135542454	Non-hydrogen_Atom_Count	25
43860	Structure_Complexity	663
7635	XLogP3-AA	3.2
123841971	Mono_Isotopic_Weight	98.036779430
16773	Molecular_Weight	377.3
92722	Hydrogen_Bond_Donor_Count	5
46936572	Rotatable_Bond_Count	8
5372600	Hydrogen_Bond_Acceptor_Count	2
58373	Defined_Bond_Stereo_Count	0
12431566	Non-hydrogen_Atom_Count	7
146472812	Mono_Isotopic_Weight	486.0841144
11388558	Rotatable_Bond_Count	5
5462210	Isotope_Atom_Count	0
11314340	Structure_Complexity	456
173411	Defined_Atom_Stereo_Count	0
91408078	Mono_Isotopic_Weight	116.047344113
165	Defined_Atom_Stereo_Count	0
6453	Covalent_Unit_Count	1
44562492	Rotatable_Bond_Count	3
91026652	Isotope_Atom_Count	0
97383	Exact_Mass	208.9713554
11455973	Hydrogen_Bond_Acceptor_Count	13
11188898	Molecular_Weight	404.5
189922	Exact_Mass	446.12129689
10444	Mono_Isotopic_Weight	89.02992040
53894233	Rotatable_Bond_Count	3
135398559	Undefined_Bond_Stereo_Count	0
164705775	Molecular_Weight	342.30
19731	Structure_Complexity	1260
158798	Mono_Isotopic_Weight	363.13479319
5525	Hydrogen_Bond_Acceptor_Count	6
21893495	Isotope_Atom_Count	0
77737505	Undefined_Bond_Stereo_Count	0
123492457	Hydrogen_Bond_Acceptor_Count	0
5284600	Total_Formal_Charge	0
23462	Defined_Atom_Stereo_Count	1
54697783	Rotatable_Bond_Count	6
71781	Defined_Atom_Stereo_Count	0
21306027	Hydrogen_Bond_Donor_Count	0
5232201	Defined_Bond_Stereo_Count	0
122327	Hydrogen_Bond_Acceptor_Count	4
29216	Molecular_Weight	221.28
12622744	Undefined_Bond_Stereo_Count	0
2976	Non-hydrogen_Atom_Count	33
196129	XLogP3-AA	3.9
11397	Total_Formal_Charge	0
13974331	Non-hydrogen_Atom_Count	8
56841862	Exact_Mass	375.1612642
91734	TPSA	58.2
10648	Hydrogen_Bond_Acceptor_Count	1
72022	Rotatable_Bond_Count	7
6852406	TPSA	62.3
56890	Hydrogen_Bond_Donor_Count	0
107641	Non-hydrogen_Atom_Count	22
66636	Defined_Bond_Stereo_Count	0
29772	Rotatable_Bond_Count	10
714937	XLogP3-AA	3.8
4345065	Exact_Mass	872.44457755
11712071	TPSA	74.5
3032537	Hydrogen_Bond_Donor_Count	2
518874	Hydrogen_Bond_Acceptor_Count	0
66354	Molecular_Weight	83.09
10198055	Rotatable_Bond_Count	0
133952	Isotope_Atom_Count	0
53664307	Structure_Complexity	53.7
89914	Covalent_Unit_Count	1
102063093	Molecular_Weight	168.23
5320547	Covalent_Unit_Count	1
637920	Rotatable_Bond_Count	1
54581335	Structure_Complexity	514
53839028	XLogP3-AA	1.3
147193	Molecular_Weight	199.04
155008	Defined_Bond_Stereo_Count	0
66561	Non-hydrogen_Atom_Count	14
5318537	Hydrogen_Bond_Acceptor_Count	10
513917	Undefined_Bond_Stereo_Count	0
630689	Hydrogen_Bond_Donor_Count	1
49865859	Defined_Bond_Stereo_Count	0
89953	TPSA	55.1
71266	Rotatable_Bond_Count	3
4488	Undefined_Atom_Stereo_Count	0
65557	Mono_Isotopic_Weight	419.24604391
107349	Undefined_Bond_Stereo_Count	0
15267570	Rotatable_Bond_Count	2
16033	Defined_Bond_Stereo_Count	0
839431	Hydrogen_Bond_Donor_Count	2
129847163	Defined_Atom_Stereo_Count	8
54751657	Total_Formal_Charge	0
10288	XLogP3-AA	4.3
18324177	Rotatable_Bond_Count	1
2622	Tautomer_Count	14
54693468	Rotatable_Bond_Count	2
91240511	Structure_Complexity	138
2846	Mono_Isotopic_Weight	662.41556884
88398	Covalent_Unit_Count	1
543882	Isotope_Atom_Count	0
40172	Tautomer_Count	1
67736	XLogP3-AA	12.2
72800595	Molecular_Weight	114.14
11116015	Undefined_Atom_Stereo_Count	2
53302268	Defined_Bond_Stereo_Count	0
31982	Defined_Atom_Stereo_Count	0
142882	Tautomer_Count	3
69465	Defined_Atom_Stereo_Count	0
41967	TPSA	9.2
84815	TPSA	88.6
57752105	Rotatable_Bond_Count	7
154361546	Covalent_Unit_Count	1
24780	Mono_Isotopic_Weight	500.30708103
84541	Non-hydrogen_Atom_Count	9
17756737	Mono_Isotopic_Weight	120.04225873
85670850	Defined_Atom_Stereo_Count	0
14647552	Total_Formal_Charge	0
89986047	XLogP3-AA	1
557502	XLogP3-AA	0.5
70774	Defined_Bond_Stereo_Count	0
57990869	Tautomer_Count	81
12562	Non-hydrogen_Atom_Count	16
124969	Rotatable_Bond_Count	4
77753	Undefined_Atom_Stereo_Count	0
53793878	Undefined_Atom_Stereo_Count	0
25010556	Defined_Bond_Stereo_Count	0
80032	Defined_Atom_Stereo_Count	0
159250	Rotatable_Bond_Count	0
53340426	Isotope_Atom_Count	0
124159802	Defined_Bond_Stereo_Count	0
19596	Hydrogen_Bond_Acceptor_Count	7
66265	Mono_Isotopic_Weight	231.12348400
25444	Structure_Complexity	2230
97886	Non-hydrogen_Atom_Count	18
93502	Total_Formal_Charge	0
24900749	Defined_Bond_Stereo_Count	0
9964081	TPSA	46.5
158770620	Molecular_Weight	114.19
13311642	Covalent_Unit_Count	1
70267	Hydrogen_Bond_Acceptor_Count	2
59354	Defined_Bond_Stereo_Count	0
66764350	Rotatable_Bond_Count	0
110821	Rotatable_Bond_Count	5
83703	Defined_Atom_Stereo_Count	0
71643	Covalent_Unit_Count	1
58189	Structure_Complexity	436
11591222	Isotope_Atom_Count	0
35329	Defined_Bond_Stereo_Count	0
21702812	Hydrogen_Bond_Acceptor_Count	1
26091	Tautomer_Count	1
22385728	Total_Formal_Charge	0
605461	Mono_Isotopic_Weight	189.99109254
14510872	Undefined_Bond_Stereo_Count	0
45108235	Rotatable_Bond_Count	9
34636	Tautomer_Count	1
53245646	Rotatable_Bond_Count	7
57753	Molecular_Weight	336.4
6712980	Exact_Mass	98.036779430
558363	Covalent_Unit_Count	1
40466932	TPSA	24.8
136444	Exact_Mass	102.068079557
16591	XLogP3-AA	2.4
9164	Exact_Mass	278.109550447
762967	Hydrogen_Bond_Donor_Count	1
44392103	Covalent_Unit_Count	1
439691	Exact_Mass	103.063328530
70689792	Undefined_Bond_Stereo_Count	0
36633	Hydrogen_Bond_Donor_Count	1
39066	Covalent_Unit_Count	1
15182658	Defined_Atom_Stereo_Count	0
691409	Covalent_Unit_Count	1
10358218	Hydrogen_Bond_Donor_Count	3
53480934	Undefined_Atom_Stereo_Count	0
3939	Structure_Complexity	2
2531445	Defined_Bond_Stereo_Count	0
6450232	Total_Formal_Charge	0
15474	Covalent_Unit_Count	2
11550	Defined_Bond_Stereo_Count	0
20626699	Defined_Atom_Stereo_Count	0
5388936	Non-hydrogen_Atom_Count	60
20592404	Undefined_Atom_Stereo_Count	0
22615	Defined_Atom_Stereo_Count	0
7247	XLogP3-AA	3
5284525	Tautomer_Count	1
185588	Covalent_Unit_Count	1
178438	Isotope_Atom_Count	0
48920	Mono_Isotopic_Weight	283.157228913
66733	Exact_Mass	217.05613515
23617705	Total_Formal_Charge	1
12436	Structure_Complexity	79.3
320272	Defined_Bond_Stereo_Count	0
573553	XLogP3	0.2
7003711	Structure_Complexity	142
3601	Undefined_Atom_Stereo_Count	0
69672	Tautomer_Count	9
52943923	Non-hydrogen_Atom_Count	24
23668193	Rotatable_Bond_Count	0
36405	Hydrogen_Bond_Donor_Count	0
6574	Isotope_Atom_Count	0
9821383	Exact_Mass	383.20563565
129826870	Non-hydrogen_Atom_Count	12
14545018	Mono_Isotopic_Weight	257.10519334
637991	Undefined_Bond_Stereo_Count	0
516900	Exact_Mass	137.9122177
20692458	Defined_Bond_Stereo_Count	0
15475284	Total_Formal_Charge	0
19471	XLogP3-AA	0.1
53670643	Defined_Atom_Stereo_Count	0
129714937	Hydrogen_Bond_Donor_Count	0
124225	Non-hydrogen_Atom_Count	24
8033	Exact_Mass	146.130679813
33751	Covalent_Unit_Count	2
63390	Rotatable_Bond_Count	4
64973730	Rotatable_Bond_Count	3
37839	Non-hydrogen_Atom_Count	17
57521916	Hydrogen_Bond_Donor_Count	1
16040323	Undefined_Bond_Stereo_Count	0
636364	Exact_Mass	549.23159287
3971	XLogP3-AA	2.8
3054609	Molecular_Weight	446.5
6450800	Isotope_Atom_Count	0
55445	Defined_Atom_Stereo_Count	0
139024568	Structure_Complexity	482
88490	Undefined_Bond_Stereo_Count	0
57394211	Rotatable_Bond_Count	9
143399	Total_Formal_Charge	0
179512	Hydrogen_Bond_Acceptor_Count	2
135419182	Defined_Bond_Stereo_Count	0
41332	Non-hydrogen_Atom_Count	26
9967055	Isotope_Atom_Count	0
16754849	TPSA	75.1
81480	Total_Formal_Charge	0
161664	Structure_Complexity	411
156434	Hydrogen_Bond_Donor_Count	2
57399909	Total_Formal_Charge	0
65040	Undefined_Bond_Stereo_Count	0
6539286	XLogP3-AA	3.7
11326	Covalent_Unit_Count	1
108137	Defined_Bond_Stereo_Count	0
21998212	Structure_Complexity	91.7
244809	Undefined_Atom_Stereo_Count	0
24290	Undefined_Atom_Stereo_Count	0
11269	Undefined_Atom_Stereo_Count	0
1204288	Tautomer_Count	3
7768	Isotope_Atom_Count	0
5469	Rotatable_Bond_Count	4
130124970	Structure_Complexity	110
119096639	Covalent_Unit_Count	1
146158371	Total_Formal_Charge	0
36305	Molecular_Weight	224.11
44563067	Hydrogen_Bond_Acceptor_Count	6
22390912	Isotope_Atom_Count	0
292661	Hydrogen_Bond_Donor_Count	3
525424	Rotatable_Bond_Count	1
60663	Hydrogen_Bond_Donor_Count	1
8791	Undefined_Atom_Stereo_Count	0
12241083	XLogP3-AA	2.9
71624343	Total_Formal_Charge	0
6506	Rotatable_Bond_Count	11
122685	Rotatable_Bond_Count	9
48080	Defined_Bond_Stereo_Count	0
8141	Undefined_Atom_Stereo_Count	0
12310	TPSA	0
5917	Covalent_Unit_Count	1
137184495	Non-hydrogen_Atom_Count	31
3085168	Isotope_Atom_Count	0
25245437	Structure_Complexity	1280
62751	Isotope_Atom_Count	0
57016488	Covalent_Unit_Count	1
19077508	Covalent_Unit_Count	1
65394	Undefined_Bond_Stereo_Count	0
17892701	Defined_Atom_Stereo_Count	0
3086167	Undefined_Atom_Stereo_Count	0
5282761	Defined_Bond_Stereo_Count	1
166775	Rotatable_Bond_Count	13
22643208	Exact_Mass	456.1265505
12295391	Rotatable_Bond_Count	1
2091	Total_Formal_Charge	0
17166	Hydrogen_Bond_Donor_Count	0
10718	Molecular_Weight	257.24
564184	Rotatable_Bond_Count	0
3246495	TPSA	142
8900	Mono_Isotopic_Weight	100.125200510
13772685	Defined_Atom_Stereo_Count	0
22648408	Defined_Bond_Stereo_Count	0
71663312	Total_Formal_Charge	0
50045	XLogP3-AA	2.4
870	Non-hydrogen_Atom_Count	45
24871323	Exact_Mass	296.0171297
71655	TPSA	101
155903696	Molecular_Weight	408.9
5974	Covalent_Unit_Count	2
54690394	Covalent_Unit_Count	1
83201	Total_Formal_Charge	0
54605730	Undefined_Atom_Stereo_Count	1
22500965	Undefined_Bond_Stereo_Count	0
4569	Hydrogen_Bond_Acceptor_Count	15
57545	Defined_Bond_Stereo_Count	0
6433176	Undefined_Bond_Stereo_Count	0
135419182	Mono_Isotopic_Weight	538.01413629
29921593	Non-hydrogen_Atom_Count	23
39593	Total_Formal_Charge	0
135392460	Hydrogen_Bond_Acceptor_Count	1
140793266	Rotatable_Bond_Count	1
88045	Hydrogen_Bond_Donor_Count	9
70686473	Undefined_Bond_Stereo_Count	0
877	Exact_Mass	835.14142500
66678	Hydrogen_Bond_Acceptor_Count	1
4331	TPSA	130
54584797	Exact_Mass	300.16379146
22928648	Hydrogen_Bond_Donor_Count	1
27016	Exact_Mass	283.157228913
135441757	Defined_Atom_Stereo_Count	0
53481477	Hydrogen_Bond_Acceptor_Count	5
54557	Total_Formal_Charge	0
11105314	XLogP3-AA	0.3
49838879	Undefined_Bond_Stereo_Count	0
136304	Covalent_Unit_Count	1
103656	Isotope_Atom_Count	0
289	Non-hydrogen_Atom_Count	8
950480	Hydrogen_Bond_Acceptor_Count	3
11768666	Defined_Atom_Stereo_Count	2
57402175	Covalent_Unit_Count	1
139920	Structure_Complexity	41.7
47675	Non-hydrogen_Atom_Count	16
11297948	Rotatable_Bond_Count	2
101444	Defined_Bond_Stereo_Count	0
90165975	Undefined_Bond_Stereo_Count	0
10630456	Defined_Bond_Stereo_Count	0
123791702	TPSA	9.2
13031981	Exact_Mass	101.084063974
848667	Defined_Atom_Stereo_Count	0
23616857	Undefined_Bond_Stereo_Count	0
73170	Rotatable_Bond_Count	0
135749823	Exact_Mass	680.24757729
16760189	Hydrogen_Bond_Acceptor_Count	10
12805738	Undefined_Bond_Stereo_Count	0
7706	Undefined_Bond_Stereo_Count	0
151166	Rotatable_Bond_Count	4
53977	Molecular_Weight	1162.8
6484678	Undefined_Bond_Stereo_Count	0
20544	TPSA	42.4
11719190	Isotope_Atom_Count	0
14481877	Covalent_Unit_Count	1
79222	Tautomer_Count	1
130126869	Undefined_Bond_Stereo_Count	0
2723816	Tautomer_Count	1
18591	Mono_Isotopic_Weight	128.156500638
12321787	Total_Formal_Charge	0
5362123	Structure_Complexity	619
46841499	Structure_Complexity	838
15953	Covalent_Unit_Count	1
22061626	Hydrogen_Bond_Acceptor_Count	2
10220680	Defined_Bond_Stereo_Count	0
59169	TPSA	55.9
9842616	Undefined_Bond_Stereo_Count	0
53631972	Total_Formal_Charge	0
55300789	Hydrogen_Bond_Donor_Count	2
989384	Non-hydrogen_Atom_Count	28
5288670	Rotatable_Bond_Count	9
26445	Tautomer_Count	1
139355316	Exact_Mass	342.11621151
8336	Isotope_Atom_Count	0
66663	Undefined_Atom_Stereo_Count	0
11685945	Hydrogen_Bond_Donor_Count	7
161094262	Molecular_Weight	86.14
61124202	Undefined_Atom_Stereo_Count	1
155920671	Hydrogen_Bond_Donor_Count	5
16224	Isotope_Atom_Count	0
25143624	Tautomer_Count	10
72165228	Hydrogen_Bond_Acceptor_Count	8
42553	Defined_Bond_Stereo_Count	0
2866	Mono_Isotopic_Weight	354.19434270
297691	Mono_Isotopic_Weight	335.9778561
61044	Structure_Complexity	150
65875	Mono_Isotopic_Weight	309.147726857
520761	TPSA	9.2
129729130	Non-hydrogen_Atom_Count	34
87468828	Hydrogen_Bond_Donor_Count	0
824784	Total_Formal_Charge	0
2916	Total_Formal_Charge	0
6438331	TPSA	113
118855904	Total_Formal_Charge	0
61247	Hydrogen_Bond_Acceptor_Count	1
21930509	Rotatable_Bond_Count	0
21610771	Hydrogen_Bond_Donor_Count	1
853433	Defined_Bond_Stereo_Count	1
12622744	Molecular_Weight	115.17
6975516	Non-hydrogen_Atom_Count	29
123959	XLogP3-AA	6.4
122214397	Exact_Mass	532.97501113
7915	Molecular_Weight	102.13
228506	Total_Formal_Charge	0
70685495	Total_Formal_Charge	0
22379495	Molecular_Weight	101.15
1956	Exact_Mass	363.09840768
6439276	Exact_Mass	546.22134529
5464355	Molecular_Weight	528.6
24906119	Exact_Mass	420.11774960
162918377	Defined_Bond_Stereo_Count	1
5496540	Molecular_Weight	1425.5
28523	Structure_Complexity	1840
68315	TPSA	52
266742	Structure_Complexity	104
65702	Isotope_Atom_Count	0
6328154	Molecular_Weight	263.20
12031	Molecular_Weight	194.18
19202	Undefined_Atom_Stereo_Count	0
9887812	Mono_Isotopic_Weight	410.1397203
2059	Non-hydrogen_Atom_Count	25
690109	XLogP3-AA	2.1
45933578	Covalent_Unit_Count	1
44462786	Hydrogen_Bond_Donor_Count	1
1550234	Molecular_Weight	366.4
68973	Undefined_Atom_Stereo_Count	0
76044	Non-hydrogen_Atom_Count	26
16722164	Total_Formal_Charge	0
146158568	Rotatable_Bond_Count	6
44339090	XLogP3-AA	5
138113391	Defined_Atom_Stereo_Count	7
71242808	Rotatable_Bond_Count	6
44720578	Covalent_Unit_Count	1
9866186	Total_Formal_Charge	0
13786729	Exact_Mass	111.068413911
8172	Covalent_Unit_Count	1
270840	Defined_Bond_Stereo_Count	0
136364887	Molecular_Weight	112.09
13245	Total_Formal_Charge	0
60125	Undefined_Bond_Stereo_Count	0
54207505	TPSA	93.1
18622366	Defined_Bond_Stereo_Count	0
24732	Undefined_Bond_Stereo_Count	0
11105319	Hydrogen_Bond_Acceptor_Count	2
88091	Mono_Isotopic_Weight	243.1389920
25185057	Exact_Mass	507.30184471
847429	Molecular_Weight	338.8
893609	Molecular_Weight	305.4
62773515	Mono_Isotopic_Weight	114.068079557
26715	Hydrogen_Bond_Acceptor_Count	3
25245365	Hydrogen_Bond_Acceptor_Count	12
59122	Structure_Complexity	863
138113415	Molecular_Weight	765.9
9819356	XLogP3-AA	4.5
6437859	Mono_Isotopic_Weight	224.1080262
23010495	Undefined_Atom_Stereo_Count	4
25008120	Covalent_Unit_Count	3
3081185	Undefined_Atom_Stereo_Count	0
84648	Isotope_Atom_Count	0
97665	Hydrogen_Bond_Donor_Count	2
138114158	Rotatable_Bond_Count	6
60867	Covalent_Unit_Count	1
14440442	Defined_Atom_Stereo_Count	0
3081386	Rotatable_Bond_Count	11
16129620	Exact_Mass	3356.8220541
2728	Defined_Bond_Stereo_Count	0
5289143	Rotatable_Bond_Count	24
7026090	XLogP3-AA	0
159603	Exact_Mass	314.17427596
16659676	Covalent_Unit_Count	1
54415369	Defined_Bond_Stereo_Count	0
7561	Molecular_Weight	168.23
57369253	Isotope_Atom_Count	6
87469572	Hydrogen_Bond_Donor_Count	0
10890565	Structure_Complexity	288
10291131	Exact_Mass	343.11956635
439280	Molecular_Weight	220.22
27919	Molecular_Weight	177.20
12338288	Hydrogen_Bond_Donor_Count	0
146159752	Structure_Complexity	688
52039	Rotatable_Bond_Count	2
21307	Defined_Atom_Stereo_Count	0
86289926	Exact_Mass	989.56294335
76113449	Mono_Isotopic_Weight	110.073164938
140376	Hydrogen_Bond_Acceptor_Count	2
19755826	TPSA	29.1
97535	Hydrogen_Bond_Donor_Count	5
62306	Exact_Mass	259.0166840
5177	Structure_Complexity	747
117768413	Non-hydrogen_Atom_Count	12
44345361	Rotatable_Bond_Count	3
15559064	Isotope_Atom_Count	0
70355	Non-hydrogen_Atom_Count	15
85531465	Exact_Mass	86.036779430
89082395	Hydrogen_Bond_Acceptor_Count	3
160312	Defined_Bond_Stereo_Count	0
9865778	Undefined_Atom_Stereo_Count	0
727	Structure_Complexity	104
108137	TPSA	50.3
135455617	XLogP3-AA	1
54477013	Isotope_Atom_Count	0
41583	Structure_Complexity	285
14195541	TPSA	20.2
42163	Rotatable_Bond_Count	6
135349	Defined_Atom_Stereo_Count	2
7309	Defined_Bond_Stereo_Count	0
12494777	Undefined_Bond_Stereo_Count	0
19962876	Defined_Atom_Stereo_Count	0
143588	Total_Formal_Charge	0
14776	Hydrogen_Bond_Donor_Count	0
57053600	Rotatable_Bond_Count	0
71433133	Covalent_Unit_Count	1
60196380	Defined_Atom_Stereo_Count	0
69396	Exact_Mass	117.078978594
20379467	Covalent_Unit_Count	1
49311	Defined_Bond_Stereo_Count	0
725300	TPSA	98.8
15208461	Covalent_Unit_Count	1
12270430	Hydrogen_Bond_Donor_Count	0
12715	Structure_Complexity	82.5
6931238	TPSA	52
131012	Non-hydrogen_Atom_Count	20
46907787	Undefined_Atom_Stereo_Count	0
13432441	Undefined_Atom_Stereo_Count	1
9794056	Mono_Isotopic_Weight	181.06674293
23387261	Molecular_Weight	112.17
15213038	Undefined_Atom_Stereo_Count	2
5282188	TPSA	218
11443029	Hydrogen_Bond_Donor_Count	4
5280346	Undefined_Atom_Stereo_Count	0
24550	Mono_Isotopic_Weight	157.899009
67317342	Isotope_Atom_Count	0
70851	Undefined_Atom_Stereo_Count	0
5367460	Mono_Isotopic_Weight	306.255880323
47491	Structure_Complexity	514
19549	TPSA	38.3
601886	Molecular_Weight	442.7
5284603	Isotope_Atom_Count	0
7390	Defined_Atom_Stereo_Count	0
24840146	Total_Formal_Charge	0
53373584	Molecular_Weight	838.1
321436	Total_Formal_Charge	0
23585071	Undefined_Bond_Stereo_Count	0
137092	Hydrogen_Bond_Acceptor_Count	1
422478	Defined_Bond_Stereo_Count	0
59730586	Isotope_Atom_Count	0
22998467	Covalent_Unit_Count	1
10898645	Exact_Mass	94.053098200
39174	Covalent_Unit_Count	3
14200531	Mono_Isotopic_Weight	145.98600716
72199432	Undefined_Atom_Stereo_Count	0
3712	Non-hydrogen_Atom_Count	11
9904502	Total_Formal_Charge	0
52943718	Isotope_Atom_Count	0
11240435	Undefined_Atom_Stereo_Count	0
21930924	Molecular_Weight	371.2
70608	Defined_Bond_Stereo_Count	0
2829432	Isotope_Atom_Count	0
177085	Rotatable_Bond_Count	4
8326	Structure_Complexity	291
572565	Total_Formal_Charge	0
70257	Defined_Atom_Stereo_Count	0
3363	Undefined_Atom_Stereo_Count	3
14045176	Undefined_Atom_Stereo_Count	0
324814	Rotatable_Bond_Count	4
11569	Molecular_Weight	136.15
3058751	Defined_Atom_Stereo_Count	1
2723721	Structure_Complexity	30.9
5308	XLogP3-AA	3.1
45488112	Undefined_Atom_Stereo_Count	1
45280821	Defined_Bond_Stereo_Count	0
98521	Hydrogen_Bond_Donor_Count	1
637564	Undefined_Bond_Stereo_Count	0
54368096	Defined_Atom_Stereo_Count	0
87100666	TPSA	26.8
91323352	Exact_Mass	453.04129018
44120140	TPSA	113
1229	Hydrogen_Bond_Donor_Count	1
7292	Covalent_Unit_Count	1
6537488	Molecular_Weight	199.16
135413497	Hydrogen_Bond_Donor_Count	2
16218924	TPSA	87.7
32423	Rotatable_Bond_Count	4
25116191	Rotatable_Bond_Count	6
105131	Hydrogen_Bond_Acceptor_Count	1
26428	Isotope_Atom_Count	0
8222	Structure_Complexity	132
161122	Defined_Bond_Stereo_Count	0
15809	Tautomer_Count	2
53993017	Defined_Bond_Stereo_Count	0
13248942	Non-hydrogen_Atom_Count	7
13737991	Isotope_Atom_Count	0
53885557	Non-hydrogen_Atom_Count	8
135499520	TPSA	155
220861	Defined_Bond_Stereo_Count	0
606817	TPSA	135
65495	Exact_Mass	458.997796
118318030	Non-hydrogen_Atom_Count	36
81079	Molecular_Weight	138.55
57430	Isotope_Atom_Count	0
162404783	Isotope_Atom_Count	0
164330	Hydrogen_Bond_Donor_Count	12
2294	Hydrogen_Bond_Donor_Count	2
15443631	Defined_Bond_Stereo_Count	0
16560	Structure_Complexity	242
637927	Defined_Bond_Stereo_Count	1
71517867	Defined_Atom_Stereo_Count	1
70684312	Total_Formal_Charge	0
3353976	Hydrogen_Bond_Donor_Count	4
71469	Molecular_Weight	1092.2
78553	Mono_Isotopic_Weight	215.96083
404353	Covalent_Unit_Count	1
7209	Undefined_Atom_Stereo_Count	0
24352	Defined_Atom_Stereo_Count	0
731455	Isotope_Atom_Count	0
57442010	Covalent_Unit_Count	1
18317	Undefined_Atom_Stereo_Count	1
6843	XLogP3	3.1
170472	Hydrogen_Bond_Donor_Count	2
44395166	XLogP3-AA	3.4
21142	Exact_Mass	178.04773803
101100163	Non-hydrogen_Atom_Count	18
2734445	Non-hydrogen_Atom_Count	10
24181099	Structure_Complexity	981
73984	Molecular_Weight	104.11
713762	Hydrogen_Bond_Acceptor_Count	5
37720	Defined_Bond_Stereo_Count	0
91473751	Structure_Complexity	549
11618	Molecular_Weight	100.16
10450	Rotatable_Bond_Count	0
547678	Structure_Complexity	110
64965	Rotatable_Bond_Count	3
2734117	Non-hydrogen_Atom_Count	34
12998627	Non-hydrogen_Atom_Count	13
3002	Mono_Isotopic_Weight	735.14313908
10855407	TPSA	20.3
20087	Isotope_Atom_Count	0
3862	Mono_Isotopic_Weight	198.06405680
71529	Hydrogen_Bond_Donor_Count	0
47640	Non-hydrogen_Atom_Count	23
65091	Tautomer_Count	3
378348	Rotatable_Bond_Count	0
638071	Undefined_Atom_Stereo_Count	0
71325379	Exact_Mass	108.057514874
179337	Mono_Isotopic_Weight	475.18172958
12306254	TPSA	55.1
129826699	Defined_Bond_Stereo_Count	0
88981819	Total_Formal_Charge	0
35676	Structure_Complexity	203
93513	Undefined_Bond_Stereo_Count	0
168928	Structure_Complexity	878
68739990	Isotope_Atom_Count	0
53888	Structure_Complexity	291
446308	Undefined_Bond_Stereo_Count	0
637517	Non-hydrogen_Atom_Count	20
65872	Tautomer_Count	2
14944610	Hydrogen_Bond_Donor_Count	2
5458821	Defined_Bond_Stereo_Count	0
548545	Total_Formal_Charge	0
153909	TPSA	149
948954	Molecular_Weight	262.31
2733335	TPSA	152
37511	XLogP3-AA	0
98608	Undefined_Atom_Stereo_Count	0
501391	Hydrogen_Bond_Acceptor_Count	5
5369162	Covalent_Unit_Count	1
130150721	Defined_Atom_Stereo_Count	0
59658	Total_Formal_Charge	0
21158881	Structure_Complexity	329
82718360	Non-hydrogen_Atom_Count	8
103015	Undefined_Bond_Stereo_Count	0
95433	Isotope_Atom_Count	0
34800	Hydrogen_Bond_Acceptor_Count	2
53249075	Defined_Atom_Stereo_Count	0
197127	Covalent_Unit_Count	1
61060	Defined_Atom_Stereo_Count	3
94413	Undefined_Atom_Stereo_Count	0
20770500	Defined_Bond_Stereo_Count	0
49865863	Rotatable_Bond_Count	5
769	Isotope_Atom_Count	0
60196374	Covalent_Unit_Count	2
80822	Hydrogen_Bond_Donor_Count	1
593411	TPSA	0
170361	Isotope_Atom_Count	0
991601	Defined_Bond_Stereo_Count	0
8117	Non-hydrogen_Atom_Count	7
17816433	Structure_Complexity	74.2
6940	Hydrogen_Bond_Donor_Count	1
17242	Undefined_Bond_Stereo_Count	0
71986	TPSA	77.3
443369	Total_Formal_Charge	0
57358782	Total_Formal_Charge	0
6610296	Undefined_Bond_Stereo_Count	1
5252324	TPSA	6.5
4284331	Undefined_Atom_Stereo_Count	1
556998	Defined_Atom_Stereo_Count	0
49849523	Hydrogen_Bond_Donor_Count	1
11412863	Defined_Atom_Stereo_Count	4
54688686	Undefined_Bond_Stereo_Count	0
3011527	Undefined_Atom_Stereo_Count	5
104845	Exact_Mass	332.23514488
6450806	Hydrogen_Bond_Donor_Count	0
5281071	Hydrogen_Bond_Donor_Count	1
53970191	XLogP3-AA	1.7
2019	Undefined_Atom_Stereo_Count	10
22129000	Non-hydrogen_Atom_Count	8
54032194	Exact_Mass	112.074896272
81732	Undefined_Bond_Stereo_Count	0
156592279	Defined_Bond_Stereo_Count	1
9912	Isotope_Atom_Count	0
52598	Defined_Atom_Stereo_Count	0
138076	Covalent_Unit_Count	1
39793	Rotatable_Bond_Count	8
61030	Exact_Mass	200.177630004
71417	Mono_Isotopic_Weight	313.1557047
10957	Rotatable_Bond_Count	3
69540411	Mono_Isotopic_Weight	586.3546303
656902	Hydrogen_Bond_Donor_Count	4
148651588	Exact_Mass	112.088815002
162172	Isotope_Atom_Count	0
272991	Non-hydrogen_Atom_Count	30
600269	Exact_Mass	175.04557046
446576	Covalent_Unit_Count	1
3732019	Defined_Bond_Stereo_Count	0
135403630	Mono_Isotopic_Weight	247.10692467
8191	Undefined_Bond_Stereo_Count	0
524629	Undefined_Atom_Stereo_Count	2
67473	Hydrogen_Bond_Acceptor_Count	2
87438806	Exact_Mass	104.094963011
138991760	Hydrogen_Bond_Donor_Count	1
26323	Rotatable_Bond_Count	3
2155	Exact_Mass	100.00951931
8269	Hydrogen_Bond_Donor_Count	1
62932	Defined_Bond_Stereo_Count	0
735091	Defined_Bond_Stereo_Count	0
5047209	Undefined_Bond_Stereo_Count	0
24848345	Hydrogen_Bond_Donor_Count	1
15826366	Total_Formal_Charge	0
20752353	Structure_Complexity	90.4
216385	TPSA	122
60155	Undefined_Bond_Stereo_Count	0
87452564	Rotatable_Bond_Count	3
56680336	XLogP3-AA	3.7
24201964	Hydrogen_Bond_Donor_Count	5
2399	Exact_Mass	327.100776666
448051	Molecular_Weight	290.21
11995188	Undefined_Atom_Stereo_Count	0
66321	Total_Formal_Charge	0
143321	TPSA	0
673166	Structure_Complexity	413
84703	Rotatable_Bond_Count	14
11356283	Molecular_Weight	211.21
27642	Covalent_Unit_Count	1
102239676	Undefined_Bond_Stereo_Count	0
14866	XLogP3	2.1
5831	Rotatable_Bond_Count	4
656664	Mono_Isotopic_Weight	320.1291556
7853	Isotope_Atom_Count	0
138813	Isotope_Atom_Count	0
40479693	Hydrogen_Bond_Acceptor_Count	12
14146878	Rotatable_Bond_Count	0
88890036	Rotatable_Bond_Count	1
5452	Hydrogen_Bond_Donor_Count	0
6042	Mono_Isotopic_Weight	300.0811600
18387020	Hydrogen_Bond_Donor_Count	0
68616	Defined_Bond_Stereo_Count	0
76973723	Mono_Isotopic_Weight	1213.91668897
82650946	Defined_Atom_Stereo_Count	0
23947	Undefined_Atom_Stereo_Count	0
9837916	Hydrogen_Bond_Acceptor_Count	3
23205	Undefined_Bond_Stereo_Count	0
101778159	Covalent_Unit_Count	1
448043	Exact_Mass	319.13544809
916113	XLogP3-AA	1.9
5816	Molecular_Weight	183.20
1450	Rotatable_Bond_Count	11
74685737	Covalent_Unit_Count	1
15983287	Undefined_Bond_Stereo_Count	0
33746	Exact_Mass	368.0927701
5799	Structure_Complexity	205
522996	Structure_Complexity	98.5
70695376	Covalent_Unit_Count	1
135410917	Defined_Bond_Stereo_Count	0
30930	Undefined_Atom_Stereo_Count	0
9934678	Hydrogen_Bond_Acceptor_Count	6
20067321	Defined_Atom_Stereo_Count	0
5281605	Structure_Complexity	413
11543	XLogP3-AA	1.4
6603856	Undefined_Atom_Stereo_Count	0
4690	XLogP3-AA	2.7
119119	Undefined_Bond_Stereo_Count	0
15239355	TPSA	46.2
361739	Hydrogen_Bond_Donor_Count	0
67000	Structure_Complexity	212
5326956	TPSA	115
69019	Isotope_Atom_Count	0
71451957	Covalent_Unit_Count	1
11403482	Covalent_Unit_Count	1
6050	Hydrogen_Bond_Acceptor_Count	6
736351	Defined_Atom_Stereo_Count	0
16119086	TPSA	32.3
100472	Total_Formal_Charge	0
1549133	Mono_Isotopic_Weight	353.16270821
92831	Undefined_Bond_Stereo_Count	0
53909396	Molecular_Weight	88.11
3599	TPSA	58.6
8550	Total_Formal_Charge	0
6604757	Undefined_Atom_Stereo_Count	0
114751	Undefined_Bond_Stereo_Count	0
5465	Undefined_Atom_Stereo_Count	0
941651	Undefined_Atom_Stereo_Count	0
21343371	Defined_Bond_Stereo_Count	0
94675	Rotatable_Bond_Count	3
44119936	XLogP3-AA	4
71541096	Isotope_Atom_Count	0
53319417	Hydrogen_Bond_Acceptor_Count	5
18798586	Rotatable_Bond_Count	2
3086173	Defined_Atom_Stereo_Count	0
98627	Total_Formal_Charge	0
43994	Mono_Isotopic_Weight	242.0822054
135540987	Exact_Mass	409.15974809
5873	Undefined_Bond_Stereo_Count	0
161561	Mono_Isotopic_Weight	430.1093467
16091096	Non-hydrogen_Atom_Count	46
49864536	Rotatable_Bond_Count	6
15601	Hydrogen_Bond_Acceptor_Count	4
15983553	Molecular_Weight	455.5
72266	Hydrogen_Bond_Acceptor_Count	8
131634907	Molecular_Weight	2083.9
194670	Exact_Mass	193.110278721
16665100	Defined_Bond_Stereo_Count	0
64	TPSA	40.5
21617086	Defined_Atom_Stereo_Count	0
537394	Covalent_Unit_Count	1
634493	Rotatable_Bond_Count	0
67420384	TPSA	38.1
640429	Exact_Mass	333.09090320
19933060	Rotatable_Bond_Count	3
121275199	Defined_Bond_Stereo_Count	0
13593931	Exact_Mass	94.078250319
12009	TPSA	49.4
12828792	Rotatable_Bond_Count	2
77753	Exact_Mass	212.07452486
9960	Undefined_Bond_Stereo_Count	0
81909	Hydrogen_Bond_Donor_Count	1
104954	Hydrogen_Bond_Donor_Count	2
5354042	Defined_Bond_Stereo_Count	3
21585117	Covalent_Unit_Count	1
161272	Covalent_Unit_Count	1
69632	Undefined_Bond_Stereo_Count	0
11519070	Undefined_Bond_Stereo_Count	0
65854	Molecular_Weight	228.74
102063302	Hydrogen_Bond_Acceptor_Count	2
129797954	TPSA	38.4
5464344	Molecular_Weight	377.4
11590444	Exact_Mass	447.24343876
16990	Undefined_Bond_Stereo_Count	0
69173085	Exact_Mass	99.104799419
42710	Non-hydrogen_Atom_Count	25
694466	Total_Formal_Charge	0
87224935	Mono_Isotopic_Weight	166.099379685
456214	XLogP3-AA	4.3
6432236	Defined_Atom_Stereo_Count	0
90165975	Structure_Complexity	382
6555	Molecular_Weight	137.02
4379756	Defined_Bond_Stereo_Count	0
852	Undefined_Atom_Stereo_Count	2
98042	Tautomer_Count	4
6432238	Exact_Mass	49.99680632
75534859	Undefined_Bond_Stereo_Count	1
153997	Isotope_Atom_Count	0
11460	Undefined_Bond_Stereo_Count	0
14940	Non-hydrogen_Atom_Count	2
2003	Mono_Isotopic_Weight	245.116426730
46783063	Exact_Mass	364.1376123
444797	Total_Formal_Charge	0
45116687	Hydrogen_Bond_Donor_Count	1
18053	Defined_Atom_Stereo_Count	0
6078	Defined_Bond_Stereo_Count	0
139079484	Defined_Atom_Stereo_Count	0
31393	Covalent_Unit_Count	1
412057	Defined_Bond_Stereo_Count	0
66783170	Isotope_Atom_Count	0
57445155	Covalent_Unit_Count	1
118210659	Hydrogen_Bond_Acceptor_Count	4
45357796	Tautomer_Count	1
13002936	Hydrogen_Bond_Acceptor_Count	1
13610	Hydrogen_Bond_Acceptor_Count	2
68664	Molecular_Weight	320.4
23892	Isotope_Atom_Count	0
711239	XLogP3-AA	3.2
443604	Rotatable_Bond_Count	10
470375	Defined_Atom_Stereo_Count	4
54580765	Mono_Isotopic_Weight	374.04357917
94213	Rotatable_Bond_Count	8
68947	Hydrogen_Bond_Acceptor_Count	2
418296	Covalent_Unit_Count	1
527568	Defined_Bond_Stereo_Count	0
3940	Defined_Bond_Stereo_Count	0
125017	Hydrogen_Bond_Donor_Count	2
11786594	Hydrogen_Bond_Acceptor_Count	9
92427	Rotatable_Bond_Count	0
455579	Molecular_Weight	367.5
3427828	TPSA	76.1
14947250	Isotope_Atom_Count	0
87155	Mono_Isotopic_Weight	178.062994177
946920	Mono_Isotopic_Weight	343.13544809
27383	Covalent_Unit_Count	1
4414	Hydrogen_Bond_Acceptor_Count	6
13195837	Molecular_Weight	628.6
108037	Undefined_Bond_Stereo_Count	0
541661	Undefined_Bond_Stereo_Count	0
5284456	Hydrogen_Bond_Donor_Count	1
62441	Covalent_Unit_Count	2
57734486	Hydrogen_Bond_Acceptor_Count	7
18281	Total_Formal_Charge	0
1050	Covalent_Unit_Count	1
44338967	XLogP3-AA	2.4
10404073	Undefined_Atom_Stereo_Count	0
57395973	Undefined_Bond_Stereo_Count	0
6432744	Molecular_Weight	414.7
22661080	Total_Formal_Charge	0
59002381	Isotope_Atom_Count	0
3715	Hydrogen_Bond_Donor_Count	1
681701	Total_Formal_Charge	0
21749233	Covalent_Unit_Count	1
13297	Hydrogen_Bond_Donor_Count	1
941361	Exact_Mass	404.20640516
9019	Hydrogen_Bond_Donor_Count	0
56841556	Rotatable_Bond_Count	12
44119603	Hydrogen_Bond_Donor_Count	0
21962587	Undefined_Bond_Stereo_Count	0
66931399	Exact_Mass	426.29545371
45085104	Covalent_Unit_Count	1
679777	Total_Formal_Charge	0
5280644	Rotatable_Bond_Count	14
24154	Structure_Complexity	155
2724411	Structure_Complexity	666
151039	Rotatable_Bond_Count	2
6407	XLogP3-AA	1.6
445713	Undefined_Bond_Stereo_Count	0
95005	Undefined_Atom_Stereo_Count	0
3000605	Undefined_Bond_Stereo_Count	0
18048	Undefined_Atom_Stereo_Count	0
68074148	Structure_Complexity	94.7
6785	Molecular_Weight	280.27
13807316	Isotope_Atom_Count	0
33251	Covalent_Unit_Count	1
595230	Mono_Isotopic_Weight	161.047678466
314184	Covalent_Unit_Count	1
10499446	Covalent_Unit_Count	1
162839	Non-hydrogen_Atom_Count	15
140659510	Defined_Bond_Stereo_Count	0
72200863	Exact_Mass	554.32301113
74886	Structure_Complexity	731
89875063	Total_Formal_Charge	0
53316474	Isotope_Atom_Count	0
11355437	Exact_Mass	78.042927438
41438	Hydrogen_Bond_Acceptor_Count	8
79824	XLogP3	2.1
702313	XLogP3-AA	2.5
135473834	Molecular_Weight	457.4
11000	Total_Formal_Charge	0
13578	Total_Formal_Charge	0
11181837	Undefined_Atom_Stereo_Count	0
53917786	Covalent_Unit_Count	1
142552	Defined_Bond_Stereo_Count	0
628202	Structure_Complexity	688
57029485	Total_Formal_Charge	0
58206	Undefined_Atom_Stereo_Count	0
53248849	Structure_Complexity	335
160280695	Defined_Atom_Stereo_Count	0
86811213	Mono_Isotopic_Weight	223.10199966
57406719	XLogP3-AA	2.8
91884755	Rotatable_Bond_Count	6
541675	TPSA	58.6
4173	Undefined_Bond_Stereo_Count	0
12240030	Exact_Mass	113.084063974
2812423	Defined_Atom_Stereo_Count	0
10931378	Undefined_Bond_Stereo_Count	0
24883432	Mono_Isotopic_Weight	446.129461
8934	Mono_Isotopic_Weight	319.1658058
70684819	Undefined_Bond_Stereo_Count	0
76735	Defined_Atom_Stereo_Count	0
66377	Mono_Isotopic_Weight	256.10592162
54688683	Hydrogen_Bond_Donor_Count	9
6421174	Rotatable_Bond_Count	8
98177686	Non-hydrogen_Atom_Count	20
69685	Defined_Bond_Stereo_Count	0
694743	Structure_Complexity	368
22034820	Mono_Isotopic_Weight	111.032028402
460603	Molecular_Weight	496.6
791	Hydrogen_Bond_Donor_Count	2
398652	Defined_Atom_Stereo_Count	0
296732	Mono_Isotopic_Weight	220.100048391
21522	Non-hydrogen_Atom_Count	17
71768	Undefined_Bond_Stereo_Count	0
14815788	Mono_Isotopic_Weight	97.089149355
19782023	Molecular_Weight	86.14
3430	Isotope_Atom_Count	0
66714960	Mono_Isotopic_Weight	183.05449518
146682654	Non-hydrogen_Atom_Count	35
54686183	Exact_Mass	1024.3123164
398700	Defined_Bond_Stereo_Count	0
649	Hydrogen_Bond_Donor_Count	2
36190	Exact_Mass	223.157228913
77992	Non-hydrogen_Atom_Count	18
9926054	TPSA	68.2
10250607	Total_Formal_Charge	0
3353976	Rotatable_Bond_Count	5
21867154	Defined_Bond_Stereo_Count	0
54708299	Covalent_Unit_Count	1
21675743	Hydrogen_Bond_Donor_Count	2
54323317	Undefined_Atom_Stereo_Count	4
11500877	Defined_Atom_Stereo_Count	0
5284542	Tautomer_Count	6
60196431	Defined_Atom_Stereo_Count	0
14280898	Defined_Bond_Stereo_Count	0
138991760	Covalent_Unit_Count	1
550655	Covalent_Unit_Count	1
25142699	Covalent_Unit_Count	1
26133	Rotatable_Bond_Count	6
7099	Non-hydrogen_Atom_Count	16
136237316	Hydrogen_Bond_Acceptor_Count	7
1548968	Undefined_Bond_Stereo_Count	0
78174	Hydrogen_Bond_Acceptor_Count	3
414	Defined_Atom_Stereo_Count	0
4607	Defined_Bond_Stereo_Count	0
63036	Rotatable_Bond_Count	5
22123474	Defined_Atom_Stereo_Count	0
442070	Undefined_Bond_Stereo_Count	0
12443800	Hydrogen_Bond_Donor_Count	2
56658717	Hydrogen_Bond_Donor_Count	1
669019	Structure_Complexity	255
67462100	Covalent_Unit_Count	1
739878	Rotatable_Bond_Count	2
6328144	Undefined_Bond_Stereo_Count	0
681950	Structure_Complexity	285
23568701	Non-hydrogen_Atom_Count	8
9266	Undefined_Bond_Stereo_Count	0
889896	Structure_Complexity	423
6918386	Covalent_Unit_Count	1
193288	TPSA	25.8
22996964	Rotatable_Bond_Count	0
223368	Hydrogen_Bond_Acceptor_Count	2
6435335	Non-hydrogen_Atom_Count	30
5458585	Rotatable_Bond_Count	15
21783	Exact_Mass	237.10010796
44455117	Total_Formal_Charge	0
23663400	Rotatable_Bond_Count	3
2296	Exact_Mass	491.20563565
69340823	Structure_Complexity	66.7
71496458	Undefined_Bond_Stereo_Count	0
138264	Tautomer_Count	1
99049	Molecular_Weight	575.7
30214	Rotatable_Bond_Count	0
135398735	Defined_Atom_Stereo_Count	9
123690360	Isotope_Atom_Count	0
22507733	Undefined_Atom_Stereo_Count	0
3033050	Structure_Complexity	869
54023641	TPSA	37.3
456389	XLogP3-AA	4.1
9867061	Non-hydrogen_Atom_Count	30
391	TPSA	113
3662	Isotope_Atom_Count	0
114869	TPSA	90.4
11787114	XLogP3-AA	1.6
56927704	Hydrogen_Bond_Acceptor_Count	12
10887743	TPSA	476
26136	Isotope_Atom_Count	0
3356885	Defined_Atom_Stereo_Count	0
155290	Hydrogen_Bond_Acceptor_Count	2
33032	Covalent_Unit_Count	1
66376	Non-hydrogen_Atom_Count	1
240586	Undefined_Bond_Stereo_Count	0
5377254	Total_Formal_Charge	0
9916237	Non-hydrogen_Atom_Count	22
20093425	TPSA	54.7
134687950	TPSA	173
3053	Hydrogen_Bond_Acceptor_Count	13
154474669	Defined_Bond_Stereo_Count	0
5795	Isotope_Atom_Count	0
65717	Tautomer_Count	1
5356	TPSA	114
3694570	Defined_Atom_Stereo_Count	0
71341	Mono_Isotopic_Weight	349.01123610
162681560	Non-hydrogen_Atom_Count	8
94342	Undefined_Bond_Stereo_Count	0
170366	Undefined_Atom_Stereo_Count	2
22759544	XLogP3-AA	0.1
26384	Undefined_Bond_Stereo_Count	0
69340339	Structure_Complexity	76.8
153373905	Hydrogen_Bond_Donor_Count	0
10125445	Mono_Isotopic_Weight	286.21574685
656804	Tautomer_Count	40
914	Hydrogen_Bond_Acceptor_Count	3
16211385	Defined_Bond_Stereo_Count	2
1238	Mono_Isotopic_Weight	344.1113975
19424352	Mono_Isotopic_Weight	113.047678466
95850	Structure_Complexity	351
36811	Structure_Complexity	305
656506	Molecular_Weight	448.5
5754	Total_Formal_Charge	0
31297	Undefined_Atom_Stereo_Count	0
25110841	Covalent_Unit_Count	1
129627537	Structure_Complexity	3150
127403	Hydrogen_Bond_Acceptor_Count	3
9664	TPSA	0
97252	Rotatable_Bond_Count	0
176407	Total_Formal_Charge	0
32737	Defined_Atom_Stereo_Count	0
22245467	TPSA	127
6437065	Molecular_Weight	441.5
14651092	Defined_Bond_Stereo_Count	0
69839	TPSA	9.2
59886072	Non-hydrogen_Atom_Count	12
41599	Total_Formal_Charge	0
9798547	Structure_Complexity	482
393	Isotope_Atom_Count	0
11450633	Molecular_Weight	339.4
9571009	Total_Formal_Charge	0
135837103	Defined_Atom_Stereo_Count	0
31284	Tautomer_Count	1
494085	Molecular_Weight	383.4
65223	TPSA	124
70433668	Exact_Mass	114.068079557
296	Mono_Isotopic_Weight	102.031694049
57114132	Non-hydrogen_Atom_Count	8
54892	Isotope_Atom_Count	0
16722358	Non-hydrogen_Atom_Count	17
400772	Undefined_Atom_Stereo_Count	0
519846	Total_Formal_Charge	0
2016	Non-hydrogen_Atom_Count	17
6437842	Isotope_Atom_Count	0
62092	Mono_Isotopic_Weight	192.115029749
49868036	Non-hydrogen_Atom_Count	93
139078440	Exact_Mass	420.12152517
44338773	TPSA	138
652840	Defined_Bond_Stereo_Count	0
96430	Mono_Isotopic_Weight	365.88910
18356755	Non-hydrogen_Atom_Count	7
43312181	Hydrogen_Bond_Donor_Count	1
6914	Isotope_Atom_Count	0
137948991	TPSA	42
91635	Covalent_Unit_Count	1
136648	Total_Formal_Charge	0
9863	Isotope_Atom_Count	0
131167766	Total_Formal_Charge	0
413504	Defined_Bond_Stereo_Count	0
6926437	Undefined_Atom_Stereo_Count	0
77808	Defined_Bond_Stereo_Count	0
13531383	Total_Formal_Charge	0
3331	Undefined_Bond_Stereo_Count	0
5778	Molecular_Weight	166.21
23161665	Undefined_Atom_Stereo_Count	2
15174929	Defined_Bond_Stereo_Count	0
138074	Defined_Atom_Stereo_Count	0
23681045	Exact_Mass	183.886157
4607	Defined_Atom_Stereo_Count	0
2754	Mono_Isotopic_Weight	369.21647512
74068	TPSA	50.1
21306607	Defined_Atom_Stereo_Count	0
1363	Covalent_Unit_Count	1
1013376	Non-hydrogen_Atom_Count	26
143852	Covalent_Unit_Count	1
18542	Total_Formal_Charge	0
715567	TPSA	69
22352992	Non-hydrogen_Atom_Count	8
16130571	Undefined_Atom_Stereo_Count	0
53398649	Defined_Atom_Stereo_Count	0
11063784	Hydrogen_Bond_Acceptor_Count	5
73351	TPSA	167
71460852	Covalent_Unit_Count	1
32698	Total_Formal_Charge	0
67060	Hydrogen_Bond_Acceptor_Count	5
73759759	Exact_Mass	908.38775915
12454	Mono_Isotopic_Weight	400.1376123
39940	Undefined_Bond_Stereo_Count	0
67371	Exact_Mass	477.2030488
443101	Tautomer_Count	208
23690927	Covalent_Unit_Count	2
135410914	Covalent_Unit_Count	1
46239	Exact_Mass	275.1288213
11427553	Exact_Mass	332.16371127
750190	Defined_Bond_Stereo_Count	0
63333521	Rotatable_Bond_Count	0
139593411	Undefined_Bond_Stereo_Count	0
139062015	Molecular_Weight	335.6
73442	Undefined_Bond_Stereo_Count	0
57403932	Isotope_Atom_Count	0
8784	Defined_Bond_Stereo_Count	0
10780	Structure_Complexity	211
124072	Exact_Mass	372.15728848
79865794	Mono_Isotopic_Weight	112.088815002
11949652	Isotope_Atom_Count	0
135436543	XLogP3	1.6
350825	Hydrogen_Bond_Donor_Count	0
2735078	Mono_Isotopic_Weight	102.068079557
447021	Molecular_Weight	339.4
5388906	Defined_Atom_Stereo_Count	2
70693544	Hydrogen_Bond_Acceptor_Count	6
61203	Defined_Atom_Stereo_Count	2
135887824	TPSA	286
122877	Structure_Complexity	1110
102492967	Non-hydrogen_Atom_Count	30
44525553	Defined_Bond_Stereo_Count	0
42827	Hydrogen_Bond_Acceptor_Count	4
53494828	Rotatable_Bond_Count	1
24848788	TPSA	65.8
3017	Hydrogen_Bond_Acceptor_Count	6
11412356	Hydrogen_Bond_Acceptor_Count	2
6866	Hydrogen_Bond_Donor_Count	0
6917852	Tautomer_Count	1
15702065	Defined_Atom_Stereo_Count	0
14027216	TPSA	26.3
196396	Structure_Complexity	825
6047	Molecular_Weight	197.19
11554076	Structure_Complexity	755
455659	Defined_Atom_Stereo_Count	6
10809678	TPSA	41.6
162918375	Hydrogen_Bond_Acceptor_Count	12
54493369	Undefined_Atom_Stereo_Count	0
15747657	Defined_Bond_Stereo_Count	0
135829641	Mono_Isotopic_Weight	96.068748264
11729	Defined_Atom_Stereo_Count	0
71437196	Defined_Bond_Stereo_Count	0
11870240	Hydrogen_Bond_Donor_Count	2
293676	TPSA	21.6
39976	Defined_Atom_Stereo_Count	0
6220	Structure_Complexity	712
12951370	Molecular_Weight	114.14
78738	Undefined_Atom_Stereo_Count	0
70962	Hydrogen_Bond_Acceptor_Count	1
67518	Hydrogen_Bond_Donor_Count	0
75445	Exact_Mass	477.314398257
13072114	Undefined_Atom_Stereo_Count	1
96458	Mono_Isotopic_Weight	358.0985242
68723	Hydrogen_Bond_Donor_Count	1
23187765	Defined_Atom_Stereo_Count	0
135436539	Molecular_Weight	473.5
6401302	Defined_Atom_Stereo_Count	0
135921797	Undefined_Bond_Stereo_Count	0
154825561	Undefined_Bond_Stereo_Count	2
6436079	XLogP3	6.2
15567528	Defined_Atom_Stereo_Count	0
15920952	Defined_Atom_Stereo_Count	0
8320	Defined_Bond_Stereo_Count	0
156592059	Mono_Isotopic_Weight	895.04440356
53318409	Structure_Complexity	347
18212	Non-hydrogen_Atom_Count	14
5708528	Non-hydrogen_Atom_Count	10
69845	Covalent_Unit_Count	1
134158849	Covalent_Unit_Count	1
13791	XLogP3	6
66166	Rotatable_Bond_Count	3
20798667	Total_Formal_Charge	0
11972532	XLogP3-AA	2.3
54477013	Hydrogen_Bond_Donor_Count	4
589692	Covalent_Unit_Count	1
89999	Hydrogen_Bond_Donor_Count	5
457831	Rotatable_Bond_Count	15
70241	Structure_Complexity	316
91270	Hydrogen_Bond_Acceptor_Count	8
11083476	Defined_Atom_Stereo_Count	8
13001072	Total_Formal_Charge	0
99474	Defined_Bond_Stereo_Count	0
15757501	Hydrogen_Bond_Donor_Count	0
6450232	Structure_Complexity	332
18342355	TPSA	38.9
105101	Structure_Complexity	255
67422305	Exact_Mass	95.073499291
3251	TPSA	118
31245	Hydrogen_Bond_Acceptor_Count	1
75412563	Defined_Bond_Stereo_Count	0
21118312	Total_Formal_Charge	0
32816	Structure_Complexity	144
198965	Undefined_Atom_Stereo_Count	0
2021	Hydrogen_Bond_Donor_Count	5
75776	Tautomer_Count	1
48305	Total_Formal_Charge	0
84599	Non-hydrogen_Atom_Count	59
19547	Defined_Bond_Stereo_Count	0
88365	XLogP3	3.9
66414	Total_Formal_Charge	0
46884664	Hydrogen_Bond_Acceptor_Count	7
556684	Undefined_Atom_Stereo_Count	0
66057	Non-hydrogen_Atom_Count	7
24848322	Hydrogen_Bond_Acceptor_Count	1
9543528	TPSA	36.3
22323434	Defined_Bond_Stereo_Count	0
515443	Undefined_Bond_Stereo_Count	0
91591	Hydrogen_Bond_Acceptor_Count	2
853490	Undefined_Bond_Stereo_Count	0
547749	TPSA	20.2
49296	Hydrogen_Bond_Donor_Count	2
18755109	Isotope_Atom_Count	0
6435	Defined_Atom_Stereo_Count	0
54493	Undefined_Bond_Stereo_Count	0
8079	Hydrogen_Bond_Donor_Count	0
17050	Molecular_Weight	171.24
18867	Undefined_Bond_Stereo_Count	0
4486	Rotatable_Bond_Count	10
14018	Covalent_Unit_Count	1
5354076	Structure_Complexity	86.5
863	Tautomer_Count	3
149514711	Molecular_Weight	112.17
83346	Hydrogen_Bond_Acceptor_Count	2
53643899	Defined_Atom_Stereo_Count	0
96238	Non-hydrogen_Atom_Count	9
20299950	Total_Formal_Charge	0
124526411	Undefined_Atom_Stereo_Count	0
692791	XLogP3-AA	2.7
11177	Covalent_Unit_Count	3
11105310	Defined_Bond_Stereo_Count	0
93500	XLogP3	3.4
23422064	TPSA	60.8
2484	XLogP3	6.3
12000240	Defined_Atom_Stereo_Count	2
2756017	Hydrogen_Bond_Donor_Count	1
12442892	Mono_Isotopic_Weight	534.22651085
4262071	XLogP3-AA	3.2
13212923	Exact_Mass	99.104799419
575408	Isotope_Atom_Count	0
74210	Undefined_Atom_Stereo_Count	0
94834	Non-hydrogen_Atom_Count	13
227085	TPSA	39.2
4451502	Covalent_Unit_Count	1
129712078	Undefined_Atom_Stereo_Count	2
820	Undefined_Atom_Stereo_Count	24
14920524	Molecular_Weight	111.10
44284481	Exact_Mass	2491.0220087
70301	Hydrogen_Bond_Donor_Count	2
11715766	Undefined_Bond_Stereo_Count	0
11500973	Isotope_Atom_Count	0
2423	Total_Formal_Charge	0
398640	Undefined_Atom_Stereo_Count	0
8416	Molecular_Weight	181.23
91824766	Rotatable_Bond_Count	21
9547928	Molecular_Weight	673.9
41308	Rotatable_Bond_Count	2
520383	Undefined_Atom_Stereo_Count	1
458426	Non-hydrogen_Atom_Count	14
93004	Non-hydrogen_Atom_Count	12
41980	Structure_Complexity	296
24090	Isotope_Atom_Count	0
12184591	Structure_Complexity	510
158524	XLogP3-AA	6
57514051	Undefined_Atom_Stereo_Count	0
68019	Structure_Complexity	144
139242912	Exact_Mass	804.46599222
61361	XLogP3	2.8
20	Tautomer_Count	55
219096	Undefined_Atom_Stereo_Count	2
67656913	Rotatable_Bond_Count	1
53484290	Defined_Bond_Stereo_Count	0
154171248	Exact_Mass	97.052763847
106999	Defined_Bond_Stereo_Count	0
37467	Hydrogen_Bond_Donor_Count	2
638079	Rotatable_Bond_Count	0
97865	Non-hydrogen_Atom_Count	26
77222	Undefined_Atom_Stereo_Count	0
56934415	Non-hydrogen_Atom_Count	47
2528	Exact_Mass	627.7853
119435	Defined_Bond_Stereo_Count	0
90753032	Isotope_Atom_Count	0
15686	Exact_Mass	358.25079494
23532162	Undefined_Atom_Stereo_Count	0
96215	Isotope_Atom_Count	0
12669583	Undefined_Atom_Stereo_Count	1
66080	Mono_Isotopic_Weight	96.093900383
70864	Rotatable_Bond_Count	7
91139914	Covalent_Unit_Count	1
45356929	Molecular_Weight	908.9
63400	Defined_Atom_Stereo_Count	0
1225	Isotope_Atom_Count	0
22033763	Mono_Isotopic_Weight	98.036779430
76144073	TPSA	89.6
67112011	Structure_Complexity	471
5795	Hydrogen_Bond_Donor_Count	2
20519089	Molecular_Weight	351.0
15981894	Hydrogen_Bond_Acceptor_Count	9
5486198	Non-hydrogen_Atom_Count	17
7122	Non-hydrogen_Atom_Count	13
73425066	Undefined_Atom_Stereo_Count	0
20782688	Covalent_Unit_Count	1
23668195	Rotatable_Bond_Count	0
139211202	Hydrogen_Bond_Acceptor_Count	7
162944617	Undefined_Atom_Stereo_Count	0
123744867	TPSA	27.1
5484131	Defined_Atom_Stereo_Count	2
719044	Mono_Isotopic_Weight	217.09635999
14028213	Structure_Complexity	141
117881739	Undefined_Bond_Stereo_Count	0
11517780	XLogP3-AA	0.2
2188	Undefined_Bond_Stereo_Count	0
118210311	Undefined_Bond_Stereo_Count	0
57391320	XLogP3-AA	3.1
5318	Undefined_Bond_Stereo_Count	0
291703	Defined_Bond_Stereo_Count	0
163775008	Defined_Bond_Stereo_Count	5
3049771	Exact_Mass	169.085126602
135409438	Mono_Isotopic_Weight	289.05760550
94280	Non-hydrogen_Atom_Count	22
135080	Total_Formal_Charge	0
129833854	Molecular_Weight	353.08
107949	Molecular_Weight	180.20
20298629	Rotatable_Bond_Count	8
153627081	Rotatable_Bond_Count	2
24752	Exact_Mass	190.15689456
70067	TPSA	165
67828	XLogP3	2.2
57493771	Structure_Complexity	275
85760873	Hydrogen_Bond_Donor_Count	0
93092	Exact_Mass	224.225248902
24458	Total_Formal_Charge	0
83779	Isotope_Atom_Count	0
158782	Hydrogen_Bond_Donor_Count	17
3885	Mono_Isotopic_Weight	242.094294304
16736529	Isotope_Atom_Count	0
10245972	Molecular_Weight	328.5
135413497	Structure_Complexity	343
12393928	TPSA	50.4
683563	Hydrogen_Bond_Donor_Count	1
14418	TPSA	23.6
10159630	Undefined_Bond_Stereo_Count	0
76997051	Covalent_Unit_Count	1
162652	Covalent_Unit_Count	1
4319	Total_Formal_Charge	0
8761	Covalent_Unit_Count	1
122174042	Undefined_Atom_Stereo_Count	2
18923030	Isotope_Atom_Count	0
66	Non-hydrogen_Atom_Count	9
10129911	Rotatable_Bond_Count	3
11716	Structure_Complexity	32.6
57396468	Exact_Mass	454.20386201
897177	Total_Formal_Charge	0
68486699	Exact_Mass	383.17461031
16120191	TPSA	72.2
15700781	Isotope_Atom_Count	0
137699570	TPSA	226
69674601	Undefined_Bond_Stereo_Count	0
11502243	Structure_Complexity	552
13396323	Molecular_Weight	103.16
23655	Non-hydrogen_Atom_Count	21
3277	Mono_Isotopic_Weight	289.15387487
21896450	TPSA	50.1
59107407	Covalent_Unit_Count	1
85802	Isotope_Atom_Count	0
11264	Defined_Atom_Stereo_Count	0
61103	Rotatable_Bond_Count	0
721436	Hydrogen_Bond_Donor_Count	1
164930	TPSA	17.1
358996	Mono_Isotopic_Weight	113.047678466
176453	Covalent_Unit_Count	1
18954	Molecular_Weight	243.22
11332442	Undefined_Bond_Stereo_Count	0
7067874	Rotatable_Bond_Count	5
123271	Rotatable_Bond_Count	0
6358	Isotope_Atom_Count	0
118984411	Undefined_Atom_Stereo_Count	0
89205570	Rotatable_Bond_Count	0
140734	XLogP3-AA	1.2
54080009	Defined_Bond_Stereo_Count	0
12366	Undefined_Atom_Stereo_Count	0
5514	Non-hydrogen_Atom_Count	22
5053	TPSA	39.4
61124	Defined_Bond_Stereo_Count	0
9918559	Exact_Mass	477.20121898
6451142	XLogP3-AA	2.7
61594	XLogP3-AA	4.2
643798	Non-hydrogen_Atom_Count	9
5282402	Isotope_Atom_Count	0
74601	Structure_Complexity	135
3686723	Rotatable_Bond_Count	0
3869	Undefined_Atom_Stereo_Count	2
104865206	Defined_Atom_Stereo_Count	0
544861	Non-hydrogen_Atom_Count	7
9037	Isotope_Atom_Count	0
123923638	Molecular_Weight	60.11
31714	Structure_Complexity	740
44719499	Mono_Isotopic_Weight	199.10085685
3737	Molecular_Weight	613.91
347476	Structure_Complexity	70.9
98650	Tautomer_Count	1
2063	Total_Formal_Charge	0
171995	Rotatable_Bond_Count	9
13391	Structure_Complexity	135
21694910	Defined_Atom_Stereo_Count	0
9877608	Rotatable_Bond_Count	6
134914194	Mono_Isotopic_Weight	99.02327524
7470	Exact_Mass	136.052429494
12285862	Mono_Isotopic_Weight	180.06338810
16049289	Hydrogen_Bond_Acceptor_Count	7
63062	Molecular_Weight	387.5
2724159	Mono_Isotopic_Weight	150.104465066
5233031	Molecular_Weight	303.2
22614138	TPSA	0
91936940	Undefined_Atom_Stereo_Count	0
5912039	Defined_Bond_Stereo_Count	1
72930	Hydrogen_Bond_Acceptor_Count	4
54949	Isotope_Atom_Count	0
2393	Hydrogen_Bond_Acceptor_Count	20
43859	Hydrogen_Bond_Donor_Count	0
20695	Rotatable_Bond_Count	0
19757496	Mono_Isotopic_Weight	108.01868458
25295	Molecular_Weight	289.80
132420	Exact_Mass	389.1393859
17461	Total_Formal_Charge	0
7040	Exact_Mass	174.042927438
57119345	Mono_Isotopic_Weight	101.084063974
14598502	Isotope_Atom_Count	0
25137854	Total_Formal_Charge	0
65452	Exact_Mass	764.50746311
158980	Hydrogen_Bond_Acceptor_Count	5
12465658	Hydrogen_Bond_Acceptor_Count	2
15567528	TPSA	41.1
13379559	Structure_Complexity	111
4744	Undefined_Bond_Stereo_Count	0
46738768	XLogP3-AA	0.6
22505043	Rotatable_Bond_Count	0
70696865	Non-hydrogen_Atom_Count	31
71226662	Molecular_Weight	465.5
30215	Tautomer_Count	1
138370	Non-hydrogen_Atom_Count	7
2809	XLogP3	3.3
90806020	Undefined_Bond_Stereo_Count	0
57023262	Hydrogen_Bond_Acceptor_Count	2
54572303	Hydrogen_Bond_Acceptor_Count	4
444635	Mono_Isotopic_Weight	260.02020313
57760	Tautomer_Count	3
129861997	Covalent_Unit_Count	1
138844	Hydrogen_Bond_Donor_Count	1
46936190	Non-hydrogen_Atom_Count	23
8961	Non-hydrogen_Atom_Count	11
5311176	Total_Formal_Charge	0
568084	Mono_Isotopic_Weight	101.084063974
64769	Defined_Bond_Stereo_Count	0
101289807	Hydrogen_Bond_Donor_Count	0
60196307	Exact_Mass	482.14871294
97389	Hydrogen_Bond_Donor_Count	1
449224	Undefined_Bond_Stereo_Count	0
3548422	Undefined_Atom_Stereo_Count	0
85491	Hydrogen_Bond_Donor_Count	1
16362	Isotope_Atom_Count	0
192802	Rotatable_Bond_Count	2
14897389	Undefined_Bond_Stereo_Count	0
135415794	Defined_Atom_Stereo_Count	4
135400184	Exact_Mass	284.07318219
91165609	Hydrogen_Bond_Donor_Count	1
5533	Mono_Isotopic_Weight	371.1512880
16399351	Undefined_Atom_Stereo_Count	4
84589	Undefined_Bond_Stereo_Count	0
10540046	Non-hydrogen_Atom_Count	19
44623937	XLogP3-AA	3
25240297	Tautomer_Count	1000
689385	Exact_Mass	322.05000196
101744	Non-hydrogen_Atom_Count	22
30822	XLogP3-AA	2.2
23057	Covalent_Unit_Count	1
10442673	Molecular_Weight	196.29
413518	Exact_Mass	212.0716407
137075	TPSA	15.8
504571	Undefined_Bond_Stereo_Count	0
498142	Covalent_Unit_Count	4
22024814	Isotope_Atom_Count	0
12040	Mono_Isotopic_Weight	116.120115130
69834	Structure_Complexity	103
137747	Covalent_Unit_Count	1
54726191	Hydrogen_Bond_Acceptor_Count	8
3034390	XLogP3-AA	5.6
20265292	Mono_Isotopic_Weight	114.068079557
84081981	Defined_Atom_Stereo_Count	0
74040195	Total_Formal_Charge	0
117683867	Defined_Bond_Stereo_Count	0
3081304	Exact_Mass	404.9865439
118216	Hydrogen_Bond_Donor_Count	0
86595083	Total_Formal_Charge	0
71384	Defined_Atom_Stereo_Count	1
10197643	Hydrogen_Bond_Donor_Count	2
15174915	Rotatable_Bond_Count	12
444450	Total_Formal_Charge	0
5769	TPSA	45.6
77314	Hydrogen_Bond_Donor_Count	0
9909846	TPSA	60.7
107766	Total_Formal_Charge	0
13378967	Defined_Atom_Stereo_Count	0
3118	Total_Formal_Charge	0
53840809	Hydrogen_Bond_Donor_Count	1
9556529	Defined_Atom_Stereo_Count	0
90944184	Exact_Mass	94.016712692
36457	Total_Formal_Charge	0
54686186	Hydrogen_Bond_Donor_Count	9
48622	Undefined_Bond_Stereo_Count	0
131750287	Isotope_Atom_Count	0
23616278	Undefined_Bond_Stereo_Count	0
3195	Hydrogen_Bond_Donor_Count	0
22349965	Undefined_Bond_Stereo_Count	0
439224	Structure_Complexity	259
9104	Non-hydrogen_Atom_Count	32
54280	TPSA	77.3
65432	Defined_Bond_Stereo_Count	0
24848382	Hydrogen_Bond_Acceptor_Count	1
49750	Undefined_Bond_Stereo_Count	0
135903069	Mono_Isotopic_Weight	891.01310344
54561127	Hydrogen_Bond_Donor_Count	1
46897877	Covalent_Unit_Count	1
3879	XLogP3	0.2
518516	XLogP3-AA	3.4
5464110	Covalent_Unit_Count	2
65531	Structure_Complexity	126
9596	Rotatable_Bond_Count	2
498158	Tautomer_Count	54
45484175	Defined_Bond_Stereo_Count	0
20055082	Structure_Complexity	1230
11073365	Defined_Bond_Stereo_Count	0
3019670	Rotatable_Bond_Count	2
23669619	Hydrogen_Bond_Acceptor_Count	2
11281300	Undefined_Bond_Stereo_Count	0
20207	TPSA	18.5
8413	Non-hydrogen_Atom_Count	16
2724192	Tautomer_Count	1
219105	Structure_Complexity	116
39784	Defined_Bond_Stereo_Count	0
142507	Total_Formal_Charge	0
11735949	Rotatable_Bond_Count	4
42602097	XLogP3-AA	2.8
24867465	Hydrogen_Bond_Donor_Count	3
642765	Total_Formal_Charge	0
151014	Tautomer_Count	2
974	Rotatable_Bond_Count	1
71890	XLogP3-AA	1.6
70383887	Rotatable_Bond_Count	0
58640	Undefined_Atom_Stereo_Count	1
76973133	Structure_Complexity	418
67274	Undefined_Atom_Stereo_Count	0
57927934	Hydrogen_Bond_Donor_Count	2
30072	Isotope_Atom_Count	0
142123799	Defined_Bond_Stereo_Count	0
6994977	Rotatable_Bond_Count	7
9806489	Hydrogen_Bond_Acceptor_Count	4
21202	Undefined_Atom_Stereo_Count	0
29455	Hydrogen_Bond_Acceptor_Count	1
5311169	Hydrogen_Bond_Donor_Count	16
81923	Non-hydrogen_Atom_Count	9
522354	Isotope_Atom_Count	0
89594	Rotatable_Bond_Count	1
91772	Non-hydrogen_Atom_Count	26
44582	Structure_Complexity	387
2603	Undefined_Bond_Stereo_Count	0
56955067	Hydrogen_Bond_Donor_Count	1
2860	Rotatable_Bond_Count	1
14679811	Undefined_Bond_Stereo_Count	0
19676	Isotope_Atom_Count	0
3146689	Defined_Bond_Stereo_Count	0
5002	Rotatable_Bond_Count	6
59561	XLogP3-AA	2.6
182429	Total_Formal_Charge	0
720	Undefined_Bond_Stereo_Count	0
56840998	Defined_Bond_Stereo_Count	0
448577	TPSA	87.5
58516110	Structure_Complexity	685
107377	TPSA	46.5
53978942	Isotope_Atom_Count	0
139099	Tautomer_Count	1
58714	Exact_Mass	197.116426730
656506	Undefined_Bond_Stereo_Count	1
15228410	XLogP3-AA	0.5
22630	Defined_Bond_Stereo_Count	0
142044455	Undefined_Bond_Stereo_Count	0
19385647	Mono_Isotopic_Weight	108.032362755
2161	Non-hydrogen_Atom_Count	22
37034	Hydrogen_Bond_Acceptor_Count	0
1647	TPSA	49.8
65622	Rotatable_Bond_Count	4
11610354	Isotope_Atom_Count	0
6386307	Undefined_Bond_Stereo_Count	0
56670034	Mono_Isotopic_Weight	453.20524173
45972	XLogP3-AA	4
4339626	Covalent_Unit_Count	1
136875	XLogP3-AA	0.7
11200	Exact_Mass	139.937397
40469150	Undefined_Atom_Stereo_Count	0
287064	Molecular_Weight	168.15
18503	Undefined_Atom_Stereo_Count	0
54584750	Rotatable_Bond_Count	15
14967651	Defined_Bond_Stereo_Count	0
39328	Hydrogen_Bond_Donor_Count	1
155294764	Covalent_Unit_Count	1
129628281	Defined_Bond_Stereo_Count	0
6604334	Mono_Isotopic_Weight	842.51400504
13472	Defined_Bond_Stereo_Count	0
45040320	Defined_Bond_Stereo_Count	0
77266	Structure_Complexity	418
38521	Exact_Mass	213.147726857
139033031	Isotope_Atom_Count	0
54022694	Undefined_Atom_Stereo_Count	1
54378261	Hydrogen_Bond_Donor_Count	0
290223	Defined_Atom_Stereo_Count	0
445468	Rotatable_Bond_Count	39
810	Structure_Complexity	1450
72111	Isotope_Atom_Count	0
19868	Isotope_Atom_Count	0
14742703	Exact_Mass	349.16779360
13652	Hydrogen_Bond_Donor_Count	0
62672	Non-hydrogen_Atom_Count	10
10707	Total_Formal_Charge	0
534012	XLogP3-AA	0.9
91558991	Mono_Isotopic_Weight	110.109550447
13972130	Undefined_Bond_Stereo_Count	0
136891	Structure_Complexity	127
7990	Structure_Complexity	93.2
34549	Covalent_Unit_Count	1
90462	Structure_Complexity	244
146157455	Total_Formal_Charge	0
68036	Defined_Atom_Stereo_Count	0
6386307	Hydrogen_Bond_Acceptor_Count	9
201538	Covalent_Unit_Count	2
115237	Isotope_Atom_Count	0
7936	Covalent_Unit_Count	1
95361	TPSA	55.8
2550	Defined_Bond_Stereo_Count	0
6128	Undefined_Bond_Stereo_Count	0
53741494	TPSA	9.2
10021783	Molecular_Weight	366.3
13546	Defined_Bond_Stereo_Count	0
5843	Hydrogen_Bond_Acceptor_Count	3
4591	Hydrogen_Bond_Donor_Count	5
91976487	Undefined_Bond_Stereo_Count	0
16683101	Total_Formal_Charge	0
2236	Exact_Mass	341.05355169
5388962	Defined_Bond_Stereo_Count	0
6450813	XLogP3	2.3
61179	Total_Formal_Charge	0
7387	Non-hydrogen_Atom_Count	13
139080230	Molecular_Weight	446.4
188653	Exact_Mass	274.193280068
86566	Mono_Isotopic_Weight	282.328651340
25246317	Defined_Atom_Stereo_Count	12
22172474	Defined_Bond_Stereo_Count	0
143647928	Covalent_Unit_Count	1
54572303	Non-hydrogen_Atom_Count	8
455798	Undefined_Atom_Stereo_Count	0
123959	Non-hydrogen_Atom_Count	69
59693872	Isotope_Atom_Count	0
44299	Non-hydrogen_Atom_Count	30
71584055	TPSA	96.6
11617	Undefined_Atom_Stereo_Count	0
9825084	Hydrogen_Bond_Donor_Count	0
121249	XLogP3	4.5
3035467	Structure_Complexity	136
53245646	XLogP3-AA	3.1
101905	Molecular_Weight	412.6
23652731	Non-hydrogen_Atom_Count	29
101254309	Defined_Bond_Stereo_Count	0
27712	Covalent_Unit_Count	1
13362585	Exact_Mass	112.100048391
31255	Tautomer_Count	1
99963	Non-hydrogen_Atom_Count	7
93251	Hydrogen_Bond_Donor_Count	0
23663539	Exact_Mass	287.825997
7274	Hydrogen_Bond_Acceptor_Count	2
59755734	XLogP3-AA	0.5
68871182	Rotatable_Bond_Count	1
7061	XLogP3	3.3
145706074	Defined_Atom_Stereo_Count	1
68186	Isotope_Atom_Count	0
12574	Non-hydrogen_Atom_Count	10
20111	Isotope_Atom_Count	0
5289514	Covalent_Unit_Count	1
5360516	Molecular_Weight	355.4
59729233	Covalent_Unit_Count	1
6050	Mono_Isotopic_Weight	302.17293854
393806	Hydrogen_Bond_Donor_Count	2
71454287	Hydrogen_Bond_Donor_Count	2
59893068	Rotatable_Bond_Count	0
60374	Defined_Bond_Stereo_Count	0
5284579	Isotope_Atom_Count	0
102	Structure_Complexity	83
11944	Undefined_Atom_Stereo_Count	0
5325504	Mono_Isotopic_Weight	151.9431847
2414	Non-hydrogen_Atom_Count	23
94915	Defined_Bond_Stereo_Count	0
49798507	Defined_Atom_Stereo_Count	0
8107	Defined_Atom_Stereo_Count	0
136516	Isotope_Atom_Count	0
9543082	Non-hydrogen_Atom_Count	11
6554	Hydrogen_Bond_Acceptor_Count	0
24800211	Covalent_Unit_Count	2
516356	Structure_Complexity	904
3789	Isotope_Atom_Count	0
44406	Covalent_Unit_Count	2
75283	Structure_Complexity	177
6064	Isotope_Atom_Count	0
11088	Exact_Mass	549.98658
47649	Molecular_Weight	160.3
625277	Covalent_Unit_Count	1
2274	Mono_Isotopic_Weight	435.05185486
62672	Covalent_Unit_Count	6
129722163	Defined_Atom_Stereo_Count	0
90942710	Undefined_Atom_Stereo_Count	0
11643926	Defined_Atom_Stereo_Count	0
521226	Isotope_Atom_Count	0
220705	Isotope_Atom_Count	0
14535399	Exact_Mass	106.9899821
129606990	TPSA	239
12309519	Mono_Isotopic_Weight	324.183778013
19768890	Defined_Bond_Stereo_Count	0
11973	Structure_Complexity	543
53811889	Non-hydrogen_Atom_Count	8
4306127	Defined_Bond_Stereo_Count	0
11137239	XLogP3-AA	2.1
8502	Molecular_Weight	185.56
5802	Exact_Mass	189.93779
10564696	Isotope_Atom_Count	0
14264	Undefined_Bond_Stereo_Count	0
45381801	Isotope_Atom_Count	0
16132429	Defined_Bond_Stereo_Count	0
123337583	TPSA	9.2
439739	Isotope_Atom_Count	0
71008	Tautomer_Count	1
4651115	Covalent_Unit_Count	4
86187	XLogP3-AA	2
30959	Exact_Mass	250.168127949
59296109	Total_Formal_Charge	0
9921294	Total_Formal_Charge	0
24721103	Rotatable_Bond_Count	6
2724505	Structure_Complexity	164
67532	Mono_Isotopic_Weight	336.89492
361733	Undefined_Bond_Stereo_Count	0
57681561	Undefined_Atom_Stereo_Count	0
16683023	Rotatable_Bond_Count	4
21703153	Hydrogen_Bond_Donor_Count	1
66855878	Non-hydrogen_Atom_Count	8
82763	Molecular_Weight	206.24
99564	Defined_Bond_Stereo_Count	0
52568	Total_Formal_Charge	0
60575	Exact_Mass	370.20565627
150762	Total_Formal_Charge	0
65217	Hydrogen_Bond_Acceptor_Count	5
1211	XLogP3-AA	6
157355	Undefined_Atom_Stereo_Count	0
12057264	Total_Formal_Charge	0
4611060	TPSA	69.2
17040	Covalent_Unit_Count	1
8368	Undefined_Atom_Stereo_Count	0
1429	Structure_Complexity	316
443870	Defined_Bond_Stereo_Count	0
32226	Hydrogen_Bond_Donor_Count	0
11235729	Molecular_Weight	315.4
12648195	Defined_Atom_Stereo_Count	0
6708685	Defined_Atom_Stereo_Count	2
14502695	Structure_Complexity	109
6710	XLogP3	3.2
2384	Hydrogen_Bond_Acceptor_Count	4
72571	TPSA	117
130021	Isotope_Atom_Count	0
16073670	Defined_Bond_Stereo_Count	0
130124330	Isotope_Atom_Count	0
38072	Structure_Complexity	356
136382971	Covalent_Unit_Count	1
87280117	Structure_Complexity	94.4
2761494	Tautomer_Count	5
5929	Isotope_Atom_Count	0
23248	Non-hydrogen_Atom_Count	17
44392105	Exact_Mass	460.2281414
25227462	Structure_Complexity	747
85491	Covalent_Unit_Count	1
22020761	Exact_Mass	116.083729621
12318923	Covalent_Unit_Count	1
71759	Defined_Atom_Stereo_Count	0
64824	Defined_Bond_Stereo_Count	0
12328896	TPSA	136
134715447	Rotatable_Bond_Count	15
12301	Tautomer_Count	1
71587831	Defined_Atom_Stereo_Count	39
340026	Hydrogen_Bond_Acceptor_Count	6
57077234	Total_Formal_Charge	0
77998	Hydrogen_Bond_Donor_Count	3
202792	Exact_Mass	212.06981089
11289	Defined_Bond_Stereo_Count	0
28615	Defined_Atom_Stereo_Count	0
21816393	XLogP3-AA	0.4
67108485	Defined_Bond_Stereo_Count	0
86007746	TPSA	46.6
443003	Defined_Atom_Stereo_Count	2
91740	Non-hydrogen_Atom_Count	18
1068	XLogP3-AA	0.9
36863	Covalent_Unit_Count	1
20912	Mono_Isotopic_Weight	81.057849228
21998212	Non-hydrogen_Atom_Count	7
22120522	Molecular_Weight	102.14
888457	Exact_Mass	341.0488569
70695759	Structure_Complexity	527
446871	Exact_Mass	466.01407238
3827	Mono_Isotopic_Weight	309.11873540
18065	Hydrogen_Bond_Acceptor_Count	4
25423	XLogP3-AA	0.1
135436526	Undefined_Bond_Stereo_Count	0
7568485	Tautomer_Count	1
337310	Undefined_Bond_Stereo_Count	0
90035	XLogP3-AA	0
123936	Total_Formal_Charge	0
8099	Molecular_Weight	240.17
145712239	TPSA	304
430245	TPSA	61.7
7048611	Undefined_Atom_Stereo_Count	0
73554303	Defined_Atom_Stereo_Count	0
5970	Hydrogen_Bond_Donor_Count	2
16906	Tautomer_Count	10
94413	Hydrogen_Bond_Acceptor_Count	3
74574	Total_Formal_Charge	0
159739	Covalent_Unit_Count	5
11407637	Defined_Atom_Stereo_Count	0
18506421	Molecular_Weight	116.11
147740	Defined_Atom_Stereo_Count	15
245729	Defined_Bond_Stereo_Count	0
76922	Hydrogen_Bond_Donor_Count	0
121834	Molecular_Weight	308.35
23683747	Structure_Complexity	299
447076	Non-hydrogen_Atom_Count	29
63420	Hydrogen_Bond_Acceptor_Count	3
59918	Undefined_Atom_Stereo_Count	0
14957	XLogP3-AA	5.3
3383476	Hydrogen_Bond_Donor_Count	1
55288485	TPSA	52.9
5488638	Defined_Atom_Stereo_Count	5
16274	Mono_Isotopic_Weight	353.0270760
1549237	Hydrogen_Bond_Acceptor_Count	2
8018	Mono_Isotopic_Weight	75.068413911
78037	Tautomer_Count	1
65792	Molecular_Weight	830.0
54567078	Undefined_Bond_Stereo_Count	0
49505	Defined_Atom_Stereo_Count	0
2337	Defined_Atom_Stereo_Count	0
519200	Exact_Mass	100.052429494
45073437	Exact_Mass	310.936458
4019563	Molecular_Weight	420.4
54718618	Undefined_Bond_Stereo_Count	0
157920	Defined_Atom_Stereo_Count	4
4770	Isotope_Atom_Count	0
86677009	Structure_Complexity	146
131744	XLogP3-AA	0
134826475	Defined_Atom_Stereo_Count	4
76958	Rotatable_Bond_Count	19
168365	Defined_Atom_Stereo_Count	0
6918939	Hydrogen_Bond_Donor_Count	2
439782	Undefined_Atom_Stereo_Count	1
22201	Undefined_Atom_Stereo_Count	0
23063442	Defined_Atom_Stereo_Count	0
8788	Structure_Complexity	219
5329056	Covalent_Unit_Count	1
448009	Total_Formal_Charge	0
4581	Rotatable_Bond_Count	2
3941	Rotatable_Bond_Count	2
72114	Rotatable_Bond_Count	4
32091	Structure_Complexity	537
134767951	Undefined_Bond_Stereo_Count	0
151173	Hydrogen_Bond_Donor_Count	2
10090208	Structure_Complexity	530
9806063	Rotatable_Bond_Count	0
10130220	Structure_Complexity	151
126480242	Undefined_Atom_Stereo_Count	0
131839562	XLogP3-AA	3.4
20299	Defined_Atom_Stereo_Count	0
91865076	Undefined_Bond_Stereo_Count	0
136506065	Exact_Mass	111.032028402
3418770	Structure_Complexity	437
73672523	Exact_Mass	1495.70103050
1028	Covalent_Unit_Count	1
41967	Undefined_Atom_Stereo_Count	2
85056	Undefined_Atom_Stereo_Count	0
137784	XLogP3-AA	5.2
5281878	Undefined_Bond_Stereo_Count	0
53999929	Molecular_Weight	113.07
101222073	Exact_Mass	646.28903092
31117	Molecular_Weight	283.4
4428	Hydrogen_Bond_Acceptor_Count	5
3966	Mono_Isotopic_Weight	234.209598838
50317	Rotatable_Bond_Count	2
13662	Total_Formal_Charge	0
10472	Rotatable_Bond_Count	22
135413554	Isotope_Atom_Count	0
19601937	XLogP3-AA	14.6
18954292	Rotatable_Bond_Count	1
11405	XLogP3	1.9
70023156	Structure_Complexity	140
53486260	Molecular_Weight	360.5
140342802	Hydrogen_Bond_Acceptor_Count	2
25077533	Defined_Atom_Stereo_Count	9
6472	Mono_Isotopic_Weight	289.204179104
15561473	Non-hydrogen_Atom_Count	8
34296	Mono_Isotopic_Weight	112.03467143
27465	Total_Formal_Charge	0
12209629	Defined_Bond_Stereo_Count	0
287755	Rotatable_Bond_Count	0
3126	Covalent_Unit_Count	1
91788	Isotope_Atom_Count	0
6918107	Exact_Mass	319.168462302
429095	Structure_Complexity	198
18867	Molecular_Weight	224.26
2211	Molecular_Weight	262.4
338812	Isotope_Atom_Count	0
21935075	Defined_Bond_Stereo_Count	0
14988402	Mono_Isotopic_Weight	99.104799419
139062655	Hydrogen_Bond_Donor_Count	5
3243871	Hydrogen_Bond_Donor_Count	1
135445761	Rotatable_Bond_Count	1
72060	Non-hydrogen_Atom_Count	15
706326	Mono_Isotopic_Weight	212.02197570
20384488	Non-hydrogen_Atom_Count	8
129870262	Defined_Bond_Stereo_Count	0
114129	Rotatable_Bond_Count	4
535480	Rotatable_Bond_Count	2
137228490	Isotope_Atom_Count	0
135544142	Hydrogen_Bond_Acceptor_Count	7
23630065	Defined_Atom_Stereo_Count	0
11208839	Undefined_Bond_Stereo_Count	0
2736527	Total_Formal_Charge	0
2311	Exact_Mass	424.19982200
96583	TPSA	73
118209838	Structure_Complexity	92.5
44423	Defined_Bond_Stereo_Count	0
25982	Hydrogen_Bond_Acceptor_Count	3
137849	TPSA	17.1
57399796	Covalent_Unit_Count	1
265652	Molecular_Weight	106.15
91657	Hydrogen_Bond_Acceptor_Count	6
51951	Tautomer_Count	1
22416599	Undefined_Bond_Stereo_Count	0
121329665	TPSA	190
9842616	Undefined_Atom_Stereo_Count	2
409301	Tautomer_Count	1
165892084	Defined_Bond_Stereo_Count	0
118052411	Defined_Bond_Stereo_Count	0
617614	Hydrogen_Bond_Donor_Count	1
10219402	Structure_Complexity	136
31593	Total_Formal_Charge	0
261501	Defined_Atom_Stereo_Count	0
70191	Exact_Mass	123.03539970
71305060	Hydrogen_Bond_Donor_Count	2
101742	Tautomer_Count	2
57057056	TPSA	32.8
11122050	Exact_Mass	364.09468823
105427022	Molecular_Weight	114.10
88632692	Hydrogen_Bond_Donor_Count	3
66381	TPSA	80.7
80017	Defined_Bond_Stereo_Count	0
75879	Molecular_Weight	356.4
6000	Molecular_Weight	609.7
82170	Undefined_Bond_Stereo_Count	0
3045402	Rotatable_Bond_Count	0
99338	Non-hydrogen_Atom_Count	6
73952881	Isotope_Atom_Count	0
11982778	Defined_Bond_Stereo_Count	3
1549098	Covalent_Unit_Count	1
527	Undefined_Bond_Stereo_Count	0
92174	XLogP3-AA	1.6
90750	Covalent_Unit_Count	1
19	Molecular_Weight	154.12
22978371	Undefined_Bond_Stereo_Count	0
6901	Defined_Atom_Stereo_Count	0
689816	Defined_Atom_Stereo_Count	0
139059144	Non-hydrogen_Atom_Count	19
53664307	Covalent_Unit_Count	1
102109	Tautomer_Count	1
12579408	Covalent_Unit_Count	1
4004	Defined_Atom_Stereo_Count	0
21826	Isotope_Atom_Count	0
86076207	Structure_Complexity	325
12387212	Covalent_Unit_Count	1
129711468	Exact_Mass	454.34469533
45085069	Hydrogen_Bond_Donor_Count	0
23712863	Hydrogen_Bond_Donor_Count	0
12284	XLogP3	0.1
7252	Rotatable_Bond_Count	0
80065	Covalent_Unit_Count	1
142551	Tautomer_Count	1
45480375	Isotope_Atom_Count	0
5083	Covalent_Unit_Count	1
61749380	Structure_Complexity	98.2
65596	Structure_Complexity	128
3002120	Mono_Isotopic_Weight	702.29817356
164513759	Defined_Atom_Stereo_Count	0
42963	Isotope_Atom_Count	0
13413379	XLogP3-AA	0.3
11594966	Defined_Atom_Stereo_Count	0
22661055	Undefined_Bond_Stereo_Count	0
25306	Isotope_Atom_Count	0
51605	Molecular_Weight	301.34
135882	Mono_Isotopic_Weight	249.209264485
100698	Molecular_Weight	93.08
143403310	Total_Formal_Charge	0
52945793	Mono_Isotopic_Weight	415.15076138
58646761	Undefined_Atom_Stereo_Count	0
25245437	Rotatable_Bond_Count	10
18323	Structure_Complexity	371
12394845	Rotatable_Bond_Count	0
3041255	Isotope_Atom_Count	0
155804760	Covalent_Unit_Count	1
16048558	Exact_Mass	230.094294304
12999933	Exact_Mass	109.063997236
13150069	Rotatable_Bond_Count	0
8140	Mono_Isotopic_Weight	192.05136
398595	Covalent_Unit_Count	2
19042038	Total_Formal_Charge	0
156816292	Covalent_Unit_Count	1
7435	Defined_Atom_Stereo_Count	0
52943962	Exact_Mass	274.168127949
87139265	Rotatable_Bond_Count	2
28107	Total_Formal_Charge	0
11205717	Covalent_Unit_Count	1
70499	Exact_Mass	143.131014166
15920952	Hydrogen_Bond_Donor_Count	1
57400694	Undefined_Bond_Stereo_Count	0
101194	XLogP3-AA	0.2
62902	Undefined_Bond_Stereo_Count	0
12304067	Non-hydrogen_Atom_Count	25
12835056	Defined_Bond_Stereo_Count	0
394128	Structure_Complexity	563
68745835	Undefined_Bond_Stereo_Count	0
231931	Mono_Isotopic_Weight	114.104465066
101584	Defined_Bond_Stereo_Count	0
9815559	Covalent_Unit_Count	1
7963	Structure_Complexity	46.1
11023	Rotatable_Bond_Count	4
71584162	Total_Formal_Charge	0
12591596	Defined_Bond_Stereo_Count	0
19437571	Mono_Isotopic_Weight	112.088815002
21939031	Undefined_Atom_Stereo_Count	0
21703153	Covalent_Unit_Count	1
3086257	TPSA	152
20348168	XLogP3-AA	0.2
24568	Molecular_Weight	458.3
70039	Non-hydrogen_Atom_Count	16
972025	Non-hydrogen_Atom_Count	20
24916897	Mono_Isotopic_Weight	508.24160744
76964745	Hydrogen_Bond_Donor_Count	1
854150	Undefined_Atom_Stereo_Count	0
20298629	TPSA	52.2
35056	Molecular_Weight	208.05
10239608	Hydrogen_Bond_Donor_Count	4
66913	Total_Formal_Charge	0
12985	Total_Formal_Charge	0
53388310	Covalent_Unit_Count	1
162883450	TPSA	272
69828	Exact_Mass	57.057849228
4423	Mono_Isotopic_Weight	311.15214353
556485	Exact_Mass	112.088815002
787	Defined_Bond_Stereo_Count	0
72999858	Hydrogen_Bond_Acceptor_Count	5
24848341	TPSA	33
820	Structure_Complexity	3410
313444	Undefined_Bond_Stereo_Count	0
56658717	Total_Formal_Charge	0
14047947	Isotope_Atom_Count	0
58265153	Molecular_Weight	180.16
68846936	Defined_Bond_Stereo_Count	0
9906028	Defined_Atom_Stereo_Count	1
3798	Rotatable_Bond_Count	4
424354	Defined_Bond_Stereo_Count	0
4141306	TPSA	133
89728	Non-hydrogen_Atom_Count	7
5365327	Non-hydrogen_Atom_Count	7
5783	Defined_Atom_Stereo_Count	0
15942892	Non-hydrogen_Atom_Count	22
736715	Defined_Atom_Stereo_Count	0
30959	Defined_Atom_Stereo_Count	0
86632359	Hydrogen_Bond_Donor_Count	0
701808	Hydrogen_Bond_Acceptor_Count	3
11492381	Exact_Mass	234.10381361
56846240	Undefined_Bond_Stereo_Count	0
10058	TPSA	121
154081039	Defined_Atom_Stereo_Count	0
117563748	Defined_Bond_Stereo_Count	0
20082	Exact_Mass	112.125200510
5070	Rotatable_Bond_Count	1
74864	Molecular_Weight	184.21
5486182	Rotatable_Bond_Count	10
18615	Structure_Complexity	62.7
153805791	Isotope_Atom_Count	0
9115	Undefined_Atom_Stereo_Count	0
69088	Structure_Complexity	232
67975127	Undefined_Bond_Stereo_Count	0
579338	Molecular_Weight	123.15
30065	Exact_Mass	261.172878976
2640	Hydrogen_Bond_Donor_Count	3
23666105	Non-hydrogen_Atom_Count	40
7375	Hydrogen_Bond_Donor_Count	1
71713950	Defined_Bond_Stereo_Count	0
71771808	Structure_Complexity	382
9952396	Defined_Bond_Stereo_Count	0
119095542	Hydrogen_Bond_Donor_Count	2
820936	Undefined_Atom_Stereo_Count	0
71713951	TPSA	106
543247	Undefined_Bond_Stereo_Count	0
70014	Exact_Mass	189.00380189
662452	Exact_Mass	448.21442669
2325	Structure_Complexity	374
15457	Hydrogen_Bond_Donor_Count	0
14897272	Total_Formal_Charge	0
10034991	Exact_Mass	168.078644241
21684469	Hydrogen_Bond_Acceptor_Count	3
5365055	Total_Formal_Charge	0
99033	Hydrogen_Bond_Acceptor_Count	5
82337	TPSA	18.5
74764517	Defined_Atom_Stereo_Count	0
17902	Mono_Isotopic_Weight	112.088815002
8076	Covalent_Unit_Count	1
154474669	Mono_Isotopic_Weight	99.068413911
442294	Total_Formal_Charge	0
2741	Molecular_Weight	190.15
6196	XLogP3	2.4
44590403	Defined_Atom_Stereo_Count	0
76956224	Molecular_Weight	449.5
12669582	Total_Formal_Charge	0
70065832	Exact_Mass	99.068413911
92339	Hydrogen_Bond_Acceptor_Count	1
22157803	Total_Formal_Charge	0
5371993	Undefined_Atom_Stereo_Count	6
9255	XLogP3	0.1
156410	Mono_Isotopic_Weight	293.177964357
135193	Rotatable_Bond_Count	7
268370	Hydrogen_Bond_Acceptor_Count	6
123840004	Isotope_Atom_Count	0
23683747	Molecular_Weight	201.24
34591	Hydrogen_Bond_Donor_Count	0
5281071	XLogP3	1.5
12268623	Defined_Atom_Stereo_Count	0
5353627	Structure_Complexity	590
135447151	Undefined_Atom_Stereo_Count	0
9794126	Structure_Complexity	249
23265	Hydrogen_Bond_Donor_Count	1
12195	Structure_Complexity	72.8
57190391	Non-hydrogen_Atom_Count	6
148202	Undefined_Atom_Stereo_Count	0
5463	Defined_Atom_Stereo_Count	0
66064	Total_Formal_Charge	0
56668818	Defined_Bond_Stereo_Count	0
54391876	Hydrogen_Bond_Donor_Count	1
1553	Undefined_Bond_Stereo_Count	0
21984850	Undefined_Atom_Stereo_Count	1
202225	Hydrogen_Bond_Donor_Count	0
155893624	Exact_Mass	109.052763847
135398633	Covalent_Unit_Count	1
121493082	Hydrogen_Bond_Donor_Count	47
85296	Exact_Mass	147.08301860
3494	Undefined_Bond_Stereo_Count	0
90475888	Tautomer_Count	3
101874073	Defined_Bond_Stereo_Count	0
68865	Defined_Atom_Stereo_Count	0
124524515	Molecular_Weight	342.30
5142487	XLogP3-AA	0.6
131850547	Defined_Atom_Stereo_Count	0
12242	Isotope_Atom_Count	0
9919170	Structure_Complexity	1380
5289320	Mono_Isotopic_Weight	387.17289623
11705141	Non-hydrogen_Atom_Count	33
3038501	Hydrogen_Bond_Acceptor_Count	6
19004	Undefined_Atom_Stereo_Count	1
75064	Molecular_Weight	154.12
999	Mono_Isotopic_Weight	136.052429494
53	Total_Formal_Charge	0
54122457	Rotatable_Bond_Count	2
5283324	Mono_Isotopic_Weight	126.104465066
13985	Total_Formal_Charge	0
11776	Undefined_Bond_Stereo_Count	0
7752	Covalent_Unit_Count	1
58420727	Hydrogen_Bond_Acceptor_Count	3
14494973	Undefined_Atom_Stereo_Count	0
2761399	Total_Formal_Charge	0
57345410	Total_Formal_Charge	0
71733	Structure_Complexity	287
122599920	Rotatable_Bond_Count	1
11029769	Undefined_Atom_Stereo_Count	0
448903	Defined_Bond_Stereo_Count	0
8432	Undefined_Bond_Stereo_Count	0
5281650	TPSA	96.2
9802865	XLogP3	1.9
9708	XLogP3	2.1
53388942	XLogP3-AA	4.4
10866282	Undefined_Bond_Stereo_Count	0
80518	Undefined_Atom_Stereo_Count	0
129840260	Undefined_Bond_Stereo_Count	0
135412725	TPSA	129
138540	Tautomer_Count	8
57656833	Non-hydrogen_Atom_Count	28
717	Rotatable_Bond_Count	4
67174361	Covalent_Unit_Count	2
13036911	Isotope_Atom_Count	0
110640	Covalent_Unit_Count	1
123894108	Exact_Mass	101.084063974
68486699	Total_Formal_Charge	0
163925	Hydrogen_Bond_Acceptor_Count	6
54445	Structure_Complexity	201
36687804	Non-hydrogen_Atom_Count	28
6918788	Structure_Complexity	966
691409	Exact_Mass	319.06267708
876	TPSA	88.6
2734996	Covalent_Unit_Count	3
24858870	Defined_Bond_Stereo_Count	0
118574	Covalent_Unit_Count	1
9793773	Defined_Bond_Stereo_Count	0
11503827	Mono_Isotopic_Weight	474.1710204
5460570	Mono_Isotopic_Weight	63.96190041
3782034	Isotope_Atom_Count	0
107166	Covalent_Unit_Count	1
79656	Defined_Bond_Stereo_Count	0
14982	XLogP3-AA	3.7
20528704	TPSA	43.1
76564	Total_Formal_Charge	0
2733336	Molecular_Weight	48.02
15041624	Total_Formal_Charge	0
4017	Undefined_Atom_Stereo_Count	15
457302	TPSA	91.6
90479783	Non-hydrogen_Atom_Count	29
57040555	Structure_Complexity	96.4
6435782	Rotatable_Bond_Count	7
5329016	Undefined_Atom_Stereo_Count	0
5283381	Defined_Atom_Stereo_Count	0
331531	Undefined_Atom_Stereo_Count	1
56590975	Structure_Complexity	451
8375	XLogP3	1.9
32681	XLogP3-AA	4.5
85178	Structure_Complexity	281
53436961	TPSA	0
6426741	XLogP3	3.1
5805243	Isotope_Atom_Count	0
136657690	Total_Formal_Charge	0
137218006	Non-hydrogen_Atom_Count	28
10258195	Mono_Isotopic_Weight	611.25260310
18329111	XLogP3-AA	3.8
202225	Molecular_Weight	814.0
4616292	Undefined_Atom_Stereo_Count	5
21047	Rotatable_Bond_Count	10
420	Isotope_Atom_Count	0
695341	Structure_Complexity	218
46853632	Structure_Complexity	806
13401996	Undefined_Atom_Stereo_Count	0
53799855	Hydrogen_Bond_Acceptor_Count	3
938021	Undefined_Atom_Stereo_Count	0
194383	Non-hydrogen_Atom_Count	43
10877051	Covalent_Unit_Count	1
16843	Defined_Atom_Stereo_Count	0
12536733	Isotope_Atom_Count	0
90227	Total_Formal_Charge	0
2763788	Exact_Mass	227.05171847
5963	Undefined_Atom_Stereo_Count	0
3339	TPSA	52.6
140956	Molecular_Weight	199.59
143009217	Mono_Isotopic_Weight	111.068413911
13437377	Exact_Mass	110.084398327
15748	Hydrogen_Bond_Acceptor_Count	2
6441264	Undefined_Bond_Stereo_Count	0
12609623	Defined_Bond_Stereo_Count	0
13915315	TPSA	32.8
10975431	TPSA	20.2
22141912	Structure_Complexity	126
91497205	TPSA	42.2
2812075	Covalent_Unit_Count	1
86054107	Hydrogen_Bond_Donor_Count	0
21625894	Exact_Mass	842.51400504
261591	Total_Formal_Charge	0
85025	TPSA	3.9
8657	Mono_Isotopic_Weight	134.109550447
661938	Undefined_Atom_Stereo_Count	1
101707	Undefined_Atom_Stereo_Count	1
109094	Non-hydrogen_Atom_Count	12
58806244	Structure_Complexity	76.2
121733	Rotatable_Bond_Count	3
40854	Undefined_Atom_Stereo_Count	1
170362	Exact_Mass	361.12738533
68718	Undefined_Atom_Stereo_Count	0
71992	Non-hydrogen_Atom_Count	28
740525	Defined_Atom_Stereo_Count	1
6926437	Hydrogen_Bond_Acceptor_Count	3
559009	Molecular_Weight	100.16
132302	Tautomer_Count	1
136585	TPSA	0
23994	Hydrogen_Bond_Donor_Count	0
57303	Undefined_Atom_Stereo_Count	1
170750	Rotatable_Bond_Count	5
57255046	Molecular_Weight	114.14
25917	Mono_Isotopic_Weight	127.063328530
134032	Structure_Complexity	605
70281073	Total_Formal_Charge	0
116842112	Undefined_Bond_Stereo_Count	0
12561970	XLogP3-AA	1.2
16211333	Isotope_Atom_Count	0
12124007	Molecular_Weight	113.11
41092	TPSA	17.1
8164	Molecular_Weight	172.26
61384	Non-hydrogen_Atom_Count	16
8534	Tautomer_Count	25
520744	Undefined_Atom_Stereo_Count	0
5359271	Defined_Bond_Stereo_Count	0
441406	Defined_Bond_Stereo_Count	0
54373	Undefined_Atom_Stereo_Count	8
71300726	Isotope_Atom_Count	0
3464	Rotatable_Bond_Count	7
3676	Mono_Isotopic_Weight	234.173213330
10111	Defined_Bond_Stereo_Count	0
52949613	Total_Formal_Charge	0
105427003	Hydrogen_Bond_Acceptor_Count	2
4609	Structure_Complexity	191
20931	Mono_Isotopic_Weight	118.099379685
73152393	Rotatable_Bond_Count	17
60943	Molecular_Weight	620.5
164563	Undefined_Atom_Stereo_Count	0
80283	Defined_Bond_Stereo_Count	0
10975442	Rotatable_Bond_Count	0
35912	Exact_Mass	248.152477885
36687804	Rotatable_Bond_Count	4
41317	Undefined_Atom_Stereo_Count	0
5500	Tautomer_Count	1
24705318	Exact_Mass	113.084063974
57031835	Hydrogen_Bond_Acceptor_Count	1
519642	TPSA	28.2
69333769	Undefined_Bond_Stereo_Count	0
8470	Hydrogen_Bond_Acceptor_Count	3
12791421	Non-hydrogen_Atom_Count	8
5983	Hydrogen_Bond_Donor_Count	1
54173839	Mono_Isotopic_Weight	94.078250319
1060	Mono_Isotopic_Weight	88.016043985
3418	Total_Formal_Charge	0
739	TPSA	116
3413668	TPSA	40.5
1365	Mono_Isotopic_Weight	376.08414080
18769554	Undefined_Bond_Stereo_Count	0
13361618	Covalent_Unit_Count	1
93032	TPSA	78.6
6440792	Defined_Bond_Stereo_Count	1
52731	Total_Formal_Charge	0
4679699	Molecular_Weight	188.57
65536	Defined_Bond_Stereo_Count	0
13562	TPSA	63.3
27304	Undefined_Bond_Stereo_Count	0
44595707	Covalent_Unit_Count	1
753053	Defined_Bond_Stereo_Count	0
10181729	Undefined_Bond_Stereo_Count	0
45085092	Structure_Complexity	97.8
80373	Defined_Atom_Stereo_Count	0
6327114	Tautomer_Count	1
1969	Structure_Complexity	248
135016365	Covalent_Unit_Count	1
442113	Defined_Bond_Stereo_Count	0
53319813	Non-hydrogen_Atom_Count	23
6182	TPSA	38
3034368	TPSA	181
6061	Defined_Bond_Stereo_Count	0
16710	Rotatable_Bond_Count	7
10335364	Undefined_Bond_Stereo_Count	0
20784557	Non-hydrogen_Atom_Count	8
160368576	TPSA	99.6
78738	Hydrogen_Bond_Acceptor_Count	3
13521790	Mono_Isotopic_Weight	116.083729621
23663409	Structure_Complexity	372
72200038	Isotope_Atom_Count	0
142210	Tautomer_Count	1
23663979	Molecular_Weight	371.4
54545143	Hydrogen_Bond_Acceptor_Count	1
60196330	Isotope_Atom_Count	0
119212	Defined_Bond_Stereo_Count	0
18208	Undefined_Atom_Stereo_Count	0
54472110	Isotope_Atom_Count	0
6763	Defined_Atom_Stereo_Count	0
71776101	Exact_Mass	345.966361
11477442	Total_Formal_Charge	0
24764418	Molecular_Weight	609.5
22266611	Defined_Bond_Stereo_Count	0
14671581	Non-hydrogen_Atom_Count	8
76007601	Total_Formal_Charge	0
2734161	Hydrogen_Bond_Donor_Count	0
70686981	Covalent_Unit_Count	1
97043	Isotope_Atom_Count	0
108675	TPSA	0
88948	Hydrogen_Bond_Acceptor_Count	4
83669972	Hydrogen_Bond_Acceptor_Count	2
11284883	Rotatable_Bond_Count	0
20146588	Defined_Atom_Stereo_Count	0
548989	Defined_Atom_Stereo_Count	0
9938326	Mono_Isotopic_Weight	586.21917529
5484438	Tautomer_Count	3
3033856	Non-hydrogen_Atom_Count	22
67273	Rotatable_Bond_Count	2
7628	Defined_Atom_Stereo_Count	0
21869002	TPSA	49.7
7877	TPSA	29.1
108026	Non-hydrogen_Atom_Count	20
521928	Structure_Complexity	635
19823902	Isotope_Atom_Count	0
135422442	Total_Formal_Charge	0
521998	Defined_Bond_Stereo_Count	0
4250936	Undefined_Atom_Stereo_Count	2
3788074	Structure_Complexity	792
3001386	Total_Formal_Charge	0
12873460	Tautomer_Count	28
8742	Rotatable_Bond_Count	1
53765848	Hydrogen_Bond_Donor_Count	0
8361	Structure_Complexity	233
1553	TPSA	157
11510567	XLogP3-AA	3.7
43961	Isotope_Atom_Count	0
132779642	Total_Formal_Charge	0
41552	Mono_Isotopic_Weight	204.115029749
288541	Isotope_Atom_Count	0
637927	Isotope_Atom_Count	0
10704	Total_Formal_Charge	0
73082918	Total_Formal_Charge	0
68384915	Total_Formal_Charge	0
24883439	Defined_Atom_Stereo_Count	0
599	Defined_Bond_Stereo_Count	0
67505	Undefined_Bond_Stereo_Count	0
5365247	Hydrogen_Bond_Donor_Count	0
38255	Covalent_Unit_Count	1
556684	Hydrogen_Bond_Acceptor_Count	3
754695	Mono_Isotopic_Weight	293.1043378
71541289	Defined_Bond_Stereo_Count	0
135444779	Isotope_Atom_Count	0
53309	Hydrogen_Bond_Acceptor_Count	3
11074101	Undefined_Atom_Stereo_Count	0
13518101	Hydrogen_Bond_Acceptor_Count	6
754695	Hydrogen_Bond_Donor_Count	2
18355900	Defined_Atom_Stereo_Count	0
56931136	Molecular_Weight	462.9
82650926	Defined_Atom_Stereo_Count	0
3000926	Undefined_Bond_Stereo_Count	0
3035842	Molecular_Weight	165.24
6390	Mono_Isotopic_Weight	149.886454
7110	Defined_Atom_Stereo_Count	0
60904070	Undefined_Bond_Stereo_Count	0
11505	Hydrogen_Bond_Acceptor_Count	1
18506396	Undefined_Atom_Stereo_Count	3
31143	Covalent_Unit_Count	1
5458497	Defined_Bond_Stereo_Count	1
21443942	Structure_Complexity	68.3
71415	Exact_Mass	410.19048031
83859	Structure_Complexity	503
60155458	Isotope_Atom_Count	0
87280032	Exact_Mass	113.022526347
23328892	Isotope_Atom_Count	0
522606	Isotope_Atom_Count	0
12502855	Total_Formal_Charge	0
77266	XLogP3-AA	7.4
90827926	Defined_Bond_Stereo_Count	0
146159661	TPSA	23.5
99271	XLogP3-AA	1.9
3879	Undefined_Atom_Stereo_Count	26
164509	Rotatable_Bond_Count	1
93833	Exact_Mass	515.72168
445344	Defined_Bond_Stereo_Count	0
46780152	Hydrogen_Bond_Acceptor_Count	3
7844	Undefined_Atom_Stereo_Count	0
444021	Isotope_Atom_Count	0
10991161	Defined_Bond_Stereo_Count	0
248934	XLogP3-AA	1.1
22353151	Molecular_Weight	432.4
497377	Undefined_Bond_Stereo_Count	0
10909501	Tautomer_Count	1
144998307	Undefined_Atom_Stereo_Count	0
115011064	Undefined_Atom_Stereo_Count	0
11077077	Mono_Isotopic_Weight	288.1141743
101534	Mono_Isotopic_Weight	240.14739250
12421370	Mono_Isotopic_Weight	71.086075351
6992041	Isotope_Atom_Count	0
208832	Rotatable_Bond_Count	7
21130160	Rotatable_Bond_Count	2
524266	Structure_Complexity	101
11443029	Defined_Bond_Stereo_Count	0
7626	Hydrogen_Bond_Acceptor_Count	2
121553483	Molecular_Weight	114.14
10302451	Hydrogen_Bond_Acceptor_Count	10
13196775	Rotatable_Bond_Count	2
7841	Exact_Mass	119.95746
56637807	Rotatable_Bond_Count	0
9687	Structure_Complexity	759
3613700	Exact_Mass	203.0017026
19708414	Total_Formal_Charge	0
44392167	Undefined_Atom_Stereo_Count	0
716315	Mono_Isotopic_Weight	183.06955672
73895	Defined_Atom_Stereo_Count	0
146701269	Total_Formal_Charge	0
54405	Exact_Mass	441.02840
696858	Mono_Isotopic_Weight	334.14297583
126963444	Undefined_Atom_Stereo_Count	0
57401684	Isotope_Atom_Count	0
6977	Exact_Mass	190.9540837
67374621	Isotope_Atom_Count	0
72921	Hydrogen_Bond_Acceptor_Count	2
16113378	Hydrogen_Bond_Donor_Count	1
559740	Defined_Bond_Stereo_Count	0
162344865	Molecular_Weight	532.6
91264731	Mono_Isotopic_Weight	94.078250319
31762	Structure_Complexity	522
15327061	TPSA	40.5
6452300	Hydrogen_Bond_Acceptor_Count	3
70278898	Defined_Bond_Stereo_Count	0
70484261	Rotatable_Bond_Count	0
11243536	TPSA	32.3
36980	XLogP3	5.2
22625312	Rotatable_Bond_Count	0
25019940	Covalent_Unit_Count	1
6503	Hydrogen_Bond_Donor_Count	4
442941	Isotope_Atom_Count	0
10996	XLogP3-AA	1.3
715	Exact_Mass	776.27523133
60960	Non-hydrogen_Atom_Count	8
5375785	Hydrogen_Bond_Donor_Count	0
9846588	Mono_Isotopic_Weight	450.23660143
137642	XLogP3-AA	1
50711	Exact_Mass	292.215078140
15055958	Hydrogen_Bond_Acceptor_Count	2
86811257	Exact_Mass	114.068079557
627923	Molecular_Weight	307.35
134715513	Undefined_Bond_Stereo_Count	0
12285861	Exact_Mass	182.07161235
5391	Defined_Bond_Stereo_Count	0
3229	Defined_Bond_Stereo_Count	0
15166013	Non-hydrogen_Atom_Count	8
10899282	Undefined_Bond_Stereo_Count	0
180624	Total_Formal_Charge	0
2744921	Non-hydrogen_Atom_Count	23
32698	Molecular_Weight	411.9
968645	Molecular_Weight	247.33
164135990	Undefined_Bond_Stereo_Count	0
42725	TPSA	81.1
160692	Mono_Isotopic_Weight	251.094628657
24807494	Undefined_Bond_Stereo_Count	0
347477	Hydrogen_Bond_Donor_Count	1
20055342	Hydrogen_Bond_Acceptor_Count	14
9809002	Non-hydrogen_Atom_Count	44
5362708	Tautomer_Count	4
5274428	Hydrogen_Bond_Donor_Count	2
77912	TPSA	83
9284	Hydrogen_Bond_Acceptor_Count	2
15595455	Rotatable_Bond_Count	0
22352755	Isotope_Atom_Count	0
73952881	Covalent_Unit_Count	2
75358112	Total_Formal_Charge	0
162807	TPSA	68.2
10558590	Mono_Isotopic_Weight	113.084063974
59568024	TPSA	38.1
10132189	TPSA	61
862	Exact_Mass	1404.85396239
24769	Defined_Atom_Stereo_Count	0
18639728	Hydrogen_Bond_Donor_Count	1
3611392	Defined_Atom_Stereo_Count	0
25379	Rotatable_Bond_Count	4
524217	TPSA	9.2
123963	Exact_Mass	204.089877630
447994	Mono_Isotopic_Weight	413.09108001
400189	Covalent_Unit_Count	1
424	Covalent_Unit_Count	1
83975	Hydrogen_Bond_Acceptor_Count	4
439518	Rotatable_Bond_Count	14
7336	Tautomer_Count	1
17358	TPSA	1
16683704	Hydrogen_Bond_Acceptor_Count	3
25875	Total_Formal_Charge	0
63075	Hydrogen_Bond_Acceptor_Count	0
10132	Defined_Bond_Stereo_Count	0
22206	Undefined_Atom_Stereo_Count	0
24721103	Exact_Mass	545.23667825
7862	Defined_Atom_Stereo_Count	0
198061	Defined_Atom_Stereo_Count	0
20439251	Rotatable_Bond_Count	3
2251	Isotope_Atom_Count	0
11251522	Hydrogen_Bond_Acceptor_Count	12
67374621	Exact_Mass	398.17427596
2800612	Defined_Atom_Stereo_Count	0
68494	Exact_Mass	286.05897142
5709759	Structure_Complexity	474
29249	Mono_Isotopic_Weight	326.19156599
3074943	Structure_Complexity	282
5359367	Undefined_Atom_Stereo_Count	0
65211	Rotatable_Bond_Count	7
124605129	Covalent_Unit_Count	1
53387026	Total_Formal_Charge	0
51174	Hydrogen_Bond_Acceptor_Count	5
24901348	Exact_Mass	531.1150183
60878	TPSA	183
2723601	Rotatable_Bond_Count	0
135589409	TPSA	48.3
60795	TPSA	44.8
22643	Rotatable_Bond_Count	2
9926054	Tautomer_Count	5
6305	Hydrogen_Bond_Acceptor_Count	3
11715743	Molecular_Weight	247.25
5280445	Undefined_Atom_Stereo_Count	0
10306	Isotope_Atom_Count	0
61029	Defined_Atom_Stereo_Count	0
638793	Defined_Atom_Stereo_Count	8
91523740	Total_Formal_Charge	0
1317	Defined_Atom_Stereo_Count	0
542606	Undefined_Atom_Stereo_Count	3
57410	Molecular_Weight	436.14
57647726	Exact_Mass	324.183778013
5282192	Non-hydrogen_Atom_Count	20
135430970	Exact_Mass	532.19827947
117214253	Defined_Bond_Stereo_Count	0
6443047	Structure_Complexity	67
17754220	TPSA	132
22082840	Undefined_Bond_Stereo_Count	0
2465	Non-hydrogen_Atom_Count	23
7589	Molecular_Weight	220.35
12395209	Structure_Complexity	202
562796	Undefined_Bond_Stereo_Count	0
56623977	Rotatable_Bond_Count	2
461003	Hydrogen_Bond_Acceptor_Count	4
18521191	Exact_Mass	97.089149355
12443366	Undefined_Atom_Stereo_Count	0
23940	Defined_Atom_Stereo_Count	0
71359012	Isotope_Atom_Count	0
68530	Molecular_Weight	156.55
80454	Hydrogen_Bond_Acceptor_Count	3
90894106	Undefined_Atom_Stereo_Count	0
5287494	Hydrogen_Bond_Acceptor_Count	3
20264925	Molecular_Weight	100.12
18283	Rotatable_Bond_Count	2
85237	Undefined_Atom_Stereo_Count	0
69340938	TPSA	51.2
25654	Hydrogen_Bond_Donor_Count	4
20541332	Non-hydrogen_Atom_Count	18
71462631	Molecular_Weight	470.4
15529	Isotope_Atom_Count	0
9707	Mono_Isotopic_Weight	112.032442941
12768628	Defined_Atom_Stereo_Count	0
59050128	Isotope_Atom_Count	0
88402732	Non-hydrogen_Atom_Count	8
6488	Isotope_Atom_Count	0
44412343	Structure_Complexity	484
161215	Hydrogen_Bond_Donor_Count	0
54757520	Mono_Isotopic_Weight	475.20419636
23409	TPSA	67.8
89264894	Hydrogen_Bond_Acceptor_Count	2
265810	Defined_Atom_Stereo_Count	0
54765	Molecular_Weight	403.9
21585658	Undefined_Bond_Stereo_Count	0
12313981	Structure_Complexity	870
96132	TPSA	67.5
1003	Rotatable_Bond_Count	0
63622	Undefined_Bond_Stereo_Count	0
101800463	TPSA	19
40428945	Undefined_Atom_Stereo_Count	0
84590	Undefined_Atom_Stereo_Count	0
18626415	Structure_Complexity	63.1
70949	TPSA	57.5
54758585	Hydrogen_Bond_Donor_Count	5
85364156	Non-hydrogen_Atom_Count	57
10907	Mono_Isotopic_Weight	114.140850574
106824140	Hydrogen_Bond_Acceptor_Count	3
12819963	Hydrogen_Bond_Acceptor_Count	1
90146729	Mono_Isotopic_Weight	106.041864811
16305	Molecular_Weight	328.00
9885626	Covalent_Unit_Count	1
304265	Mono_Isotopic_Weight	108.068748264
446276	Exact_Mass	371.13036271
98279	Mono_Isotopic_Weight	98.073164938
77781	Hydrogen_Bond_Acceptor_Count	5
70726	Hydrogen_Bond_Acceptor_Count	2
16760189	Defined_Bond_Stereo_Count	0
138037	Mono_Isotopic_Weight	110.109550447
77442	Mono_Isotopic_Weight	650.9773240
22058225	Isotope_Atom_Count	0
7956	Molecular_Weight	129.07
12940701	Undefined_Bond_Stereo_Count	0
56828	Exact_Mass	363.1601214
29675	Structure_Complexity	591
2823078	Undefined_Bond_Stereo_Count	0
28080	Rotatable_Bond_Count	9
10772936	Undefined_Bond_Stereo_Count	0
5366352	XLogP3-AA	2.6
90997839	Exact_Mass	904.44565070
44392096	Non-hydrogen_Atom_Count	37
4093	Molecular_Weight	86.09
112029	Isotope_Atom_Count	0
10559	XLogP3-AA	2.8
12228	Structure_Complexity	44
59777381	Exact_Mass	107.048347172
123591	Exact_Mass	720
683253	Rotatable_Bond_Count	1
3165	Structure_Complexity	364
443363	Hydrogen_Bond_Donor_Count	7
134694648	Rotatable_Bond_Count	9
878	Covalent_Unit_Count	1
23422	Hydrogen_Bond_Donor_Count	8
87592747	Structure_Complexity	91.9
23283001	Total_Formal_Charge	0
3103	Undefined_Bond_Stereo_Count	0
53885557	Structure_Complexity	98.6
522446	Molecular_Weight	110.15
14184	Molecular_Weight	345.9
124159	Defined_Bond_Stereo_Count	0
5167	Undefined_Atom_Stereo_Count	1
78475	Hydrogen_Bond_Donor_Count	1
3872	Isotope_Atom_Count	0
121710	Non-hydrogen_Atom_Count	8
11271730	Molecular_Weight	388.6
6426	Hydrogen_Bond_Acceptor_Count	2
442070	Tautomer_Count	3
27826	Tautomer_Count	1
65130	Undefined_Bond_Stereo_Count	0
1194	TPSA	49.7
2724	Non-hydrogen_Atom_Count	16
65576866	Undefined_Bond_Stereo_Count	0
12089	Covalent_Unit_Count	1
38855	Undefined_Atom_Stereo_Count	1
22103887	Defined_Atom_Stereo_Count	0
30544	Isotope_Atom_Count	0
60207729	Molecular_Weight	113.08
17439	Defined_Atom_Stereo_Count	0
71684552	Covalent_Unit_Count	1
70545463	Non-hydrogen_Atom_Count	7
10636633	Isotope_Atom_Count	0
73984	Defined_Atom_Stereo_Count	0
142798	Hydrogen_Bond_Acceptor_Count	0
90390	Rotatable_Bond_Count	2
97959	Non-hydrogen_Atom_Count	9
79956	Hydrogen_Bond_Acceptor_Count	7
107045	Hydrogen_Bond_Acceptor_Count	4
24510	Covalent_Unit_Count	1
54684286	Tautomer_Count	3
145454105	Exact_Mass	358.14884905
193956	Undefined_Atom_Stereo_Count	0
135974	Undefined_Atom_Stereo_Count	0
84693	Defined_Bond_Stereo_Count	0
75836	Exact_Mass	214.193280068
115098	Undefined_Atom_Stereo_Count	0
163201191	TPSA	21.6
23568701	Undefined_Atom_Stereo_Count	0
12298391	Defined_Atom_Stereo_Count	0
52355	Defined_Bond_Stereo_Count	0
58158	Tautomer_Count	1
141260926	Rotatable_Bond_Count	0
133021	Exact_Mass	379.1339066
7401	Structure_Complexity	224
70413	Defined_Bond_Stereo_Count	0
77574	Covalent_Unit_Count	1
12302651	Isotope_Atom_Count	0
10399535	TPSA	48.1
129657393	Covalent_Unit_Count	1
128907	Hydrogen_Bond_Donor_Count	2
6321330	Covalent_Unit_Count	1
31954	Mono_Isotopic_Weight	194.094294304
10920463	Defined_Bond_Stereo_Count	0
72568	Hydrogen_Bond_Acceptor_Count	4
21319	Hydrogen_Bond_Acceptor_Count	8
9993573	Isotope_Atom_Count	0
1483	Undefined_Bond_Stereo_Count	0
137430	Total_Formal_Charge	0
16628	Total_Formal_Charge	0
637542	Mono_Isotopic_Weight	164.047344113
76830	Hydrogen_Bond_Donor_Count	1
20395	Rotatable_Bond_Count	8
37425	Structure_Complexity	161
75614	Structure_Complexity	432
11317439	Undefined_Bond_Stereo_Count	0
71449805	Hydrogen_Bond_Donor_Count	1
520668	Tautomer_Count	1
91526	Non-hydrogen_Atom_Count	10
95428	Rotatable_Bond_Count	3
11862	Total_Formal_Charge	0
21030991	Covalent_Unit_Count	1
57784275	Total_Formal_Charge	0
232446	Structure_Complexity	269
71406	Hydrogen_Bond_Donor_Count	1
9930049	Defined_Atom_Stereo_Count	3
1483	Exact_Mass	329.77135
15325996	Hydrogen_Bond_Donor_Count	1
11073365	Mono_Isotopic_Weight	108.068748264
54187438	Mono_Isotopic_Weight	99.104799419
11908449	TPSA	190
12008703	Undefined_Atom_Stereo_Count	0
45488109	TPSA	67.9
22170205	Molecular_Weight	357.8
118210659	Undefined_Atom_Stereo_Count	0
88867195	Hydrogen_Bond_Acceptor_Count	1
71459762	Isotope_Atom_Count	0
3025961	Defined_Atom_Stereo_Count	0
58952	XLogP3-AA	2.9
6922965	Exact_Mass	166.123189134
5281650	Defined_Bond_Stereo_Count	0
20710	Tautomer_Count	1
13042689	Isotope_Atom_Count	0
31233	XLogP3	2.9
135398495	Defined_Bond_Stereo_Count	0
123539309	Non-hydrogen_Atom_Count	8
1474141	XLogP3-AA	1.3
57353643	Total_Formal_Charge	0
4191617	Rotatable_Bond_Count	0
9855455	Structure_Complexity	91.7
408	TPSA	33.2
5507	Total_Formal_Charge	0
6014	Non-hydrogen_Atom_Count	21
7327	Mono_Isotopic_Weight	301.9571207
213	Structure_Complexity	459
16547	Hydrogen_Bond_Acceptor_Count	5
7015	Structure_Complexity	149
45375808	Molecular_Weight	529.5
62669683	Isotope_Atom_Count	0
317940	Mono_Isotopic_Weight	239.105862047
68553	TPSA	93.1
133264	Total_Formal_Charge	0
5311010	Tautomer_Count	1001
24728635	Hydrogen_Bond_Donor_Count	1
9257	Structure_Complexity	28.1
9840851	Hydrogen_Bond_Acceptor_Count	6
4103	XLogP3	1.2
53643991	Hydrogen_Bond_Donor_Count	2
68289	Rotatable_Bond_Count	0
23668817	Tautomer_Count	1
59295968	Isotope_Atom_Count	0
20479971	Undefined_Bond_Stereo_Count	0
164575802	Covalent_Unit_Count	2
68374	Defined_Atom_Stereo_Count	0
139024314	Covalent_Unit_Count	1
16687076	Exact_Mass	110.109550447
54392998	TPSA	38.3
8661	Hydrogen_Bond_Donor_Count	2
2248	Defined_Bond_Stereo_Count	0
72758	Tautomer_Count	2
3296738	XLogP3-AA	2.4
123237074	Hydrogen_Bond_Acceptor_Count	1
4167	Hydrogen_Bond_Acceptor_Count	2
12480949	Structure_Complexity	94.4
60569	Tautomer_Count	1
11154544	Defined_Atom_Stereo_Count	2
551296	Exact_Mass	114.104465066
4369414	Hydrogen_Bond_Donor_Count	1
60150535	Hydrogen_Bond_Acceptor_Count	6
8194	Hydrogen_Bond_Acceptor_Count	1
33934	Hydrogen_Bond_Donor_Count	0
521020	Tautomer_Count	1
24730	Exact_Mass	191.15214353
656678	Hydrogen_Bond_Donor_Count	5
129854350	Isotope_Atom_Count	0
706992	Hydrogen_Bond_Donor_Count	0
138106567	Exact_Mass	1322.0938467
28961	Covalent_Unit_Count	1
272282	Molecular_Weight	250.29
3644637	XLogP3-AA	3.8
37464	Undefined_Bond_Stereo_Count	0
91505	Tautomer_Count	1
547400	TPSA	12.5
88489585	Exact_Mass	118.062994177
629365	Undefined_Atom_Stereo_Count	0
4904	Non-hydrogen_Atom_Count	22
7259	Exact_Mass	121.089149355
18205	Covalent_Unit_Count	2
8800	Exact_Mass	198.0559907
69168745	Undefined_Atom_Stereo_Count	0
6992039	Tautomer_Count	1
31877	Covalent_Unit_Count	1
162642814	Hydrogen_Bond_Acceptor_Count	6
3597	Exact_Mass	488.31378912
7048538	Isotope_Atom_Count	0
57164040	Exact_Mass	645.23224432
22260381	Hydrogen_Bond_Acceptor_Count	3
91694	Defined_Atom_Stereo_Count	0
144915389	Covalent_Unit_Count	1
13205	Molecular_Weight	122.17
5484444	Rotatable_Bond_Count	4
519726	Defined_Atom_Stereo_Count	0
57396887	Hydrogen_Bond_Donor_Count	3
135430996	Defined_Bond_Stereo_Count	0
279819	TPSA	276
57463	Structure_Complexity	143
11469158	Undefined_Atom_Stereo_Count	0
58992	Defined_Atom_Stereo_Count	1
543107	Rotatable_Bond_Count	1
44407737	Structure_Complexity	571
33038	Rotatable_Bond_Count	17
6433573	Exact_Mass	299.09060590
23680530	Tautomer_Count	6
90884886	Isotope_Atom_Count	0
6419108	Covalent_Unit_Count	1
6603822	Exact_Mass	301.298079487
19818651	Molecular_Weight	102.09
41020	TPSA	49.2
44516953	TPSA	128
33032	Non-hydrogen_Atom_Count	10
60196286	Isotope_Atom_Count	0
60946	Covalent_Unit_Count	3
68847	Molecular_Weight	376.5
16130957	Total_Formal_Charge	0
20689	Exact_Mass	190.12656044
82479	TPSA	59.8
11419335	Total_Formal_Charge	0
16399	Mono_Isotopic_Weight	100.088815002
14791281	Mono_Isotopic_Weight	180.115029749
5287540	Undefined_Bond_Stereo_Count	0
29976	Total_Formal_Charge	0
46206296	Undefined_Atom_Stereo_Count	1
12698	Isotope_Atom_Count	0
70346812	Defined_Bond_Stereo_Count	0
42648	Hydrogen_Bond_Acceptor_Count	6
17215	Undefined_Atom_Stereo_Count	0
23689980	Undefined_Bond_Stereo_Count	0
243521	Rotatable_Bond_Count	2
453359	Undefined_Atom_Stereo_Count	0
12376	Undefined_Bond_Stereo_Count	0
11306073	Undefined_Atom_Stereo_Count	0
49867926	Undefined_Atom_Stereo_Count	0
71622657	Structure_Complexity	345
127757	Undefined_Atom_Stereo_Count	0
87815038	Defined_Atom_Stereo_Count	0
36186	Rotatable_Bond_Count	1
54541930	Non-hydrogen_Atom_Count	8
7707	Defined_Atom_Stereo_Count	0
524667	XLogP3-AA	3.8
412736	Rotatable_Bond_Count	6
69216	Defined_Bond_Stereo_Count	0
134694073	Non-hydrogen_Atom_Count	30
26560	Hydrogen_Bond_Donor_Count	0
37153	Isotope_Atom_Count	0
138195	Mono_Isotopic_Weight	126.068079557
58097518	Exact_Mass	98.036779430
50905713	Total_Formal_Charge	0
67944	Defined_Atom_Stereo_Count	0
7371	Structure_Complexity	184
282518	Molecular_Weight	311.29
2317	Undefined_Atom_Stereo_Count	0
26618	Mono_Isotopic_Weight	354.0441058
13087266	Hydrogen_Bond_Donor_Count	1
22227703	Isotope_Atom_Count	0
79577129	TPSA	46.5
62309	Isotope_Atom_Count	0
79117672	Covalent_Unit_Count	1
77981	Exact_Mass	164.062600255
6430518	Covalent_Unit_Count	1
3110	Hydrogen_Bond_Donor_Count	0
78892	Undefined_Bond_Stereo_Count	0
22053930	Covalent_Unit_Count	1
29075	Structure_Complexity	159
62278	Structure_Complexity	422
75024	Mono_Isotopic_Weight	118.062994177
197942	Molecular_Weight	206.63
11655069	Mono_Isotopic_Weight	438.1016207
25375	Covalent_Unit_Count	1
5311281	Undefined_Bond_Stereo_Count	0
163640634	Isotope_Atom_Count	0
20055424	XLogP3-AA	2.7
5392	Molecular_Weight	466.5
60149	Covalent_Unit_Count	1
5274	Isotope_Atom_Count	0
495	Covalent_Unit_Count	1
1605	Structure_Complexity	969
75421	Undefined_Bond_Stereo_Count	0
86585	Undefined_Bond_Stereo_Count	1
35625	Total_Formal_Charge	0
11864	Hydrogen_Bond_Acceptor_Count	3
9826744	Covalent_Unit_Count	1
47364	Undefined_Bond_Stereo_Count	0
75252	Hydrogen_Bond_Acceptor_Count	2
4855	Undefined_Bond_Stereo_Count	0
20605239	Exact_Mass	85.052763847
477	Non-hydrogen_Atom_Count	28
52941677	Hydrogen_Bond_Donor_Count	1
6432238	Structure_Complexity	2.8
146776289	Structure_Complexity	146
11417567	Total_Formal_Charge	0
69671	Total_Formal_Charge	0
7809	Rotatable_Bond_Count	0
851045	Structure_Complexity	402
165413019	Molecular_Weight	268.23
16733194	Covalent_Unit_Count	1
37015	Covalent_Unit_Count	1
71311252	Molecular_Weight	299.41
14057	Non-hydrogen_Atom_Count	8
20172	Structure_Complexity	756
291529	Non-hydrogen_Atom_Count	17
64644	Rotatable_Bond_Count	6
287983	Undefined_Bond_Stereo_Count	0
5324054	Structure_Complexity	133
68489225	Exact_Mass	399.16952493
5354022	Total_Formal_Charge	0
61124202	Mono_Isotopic_Weight	113.058911855
41368	Rotatable_Bond_Count	5
20475566	TPSA	9.2
543207	Total_Formal_Charge	0
64624	Tautomer_Count	1
57281	Mono_Isotopic_Weight	401.246712621
3992	Rotatable_Bond_Count	8
7767	Exact_Mass	119.094628657
11744314	Mono_Isotopic_Weight	446.1608497
64992	Exact_Mass	235.07053917
323701	Total_Formal_Charge	0
403661	Defined_Atom_Stereo_Count	0
21934012	Undefined_Atom_Stereo_Count	0
73513	TPSA	95.9
76172179	XLogP3-AA	3.1
524655	Non-hydrogen_Atom_Count	7
21672	XLogP3	5.5
21185399	Rotatable_Bond_Count	1
65217	Non-hydrogen_Atom_Count	27
12233	Hydrogen_Bond_Donor_Count	1
8192	Hydrogen_Bond_Donor_Count	0
17406	Mono_Isotopic_Weight	142.146998583
164509	XLogP3-AA	2.7
23724801	Mono_Isotopic_Weight	375.1601214
834999	Molecular_Weight	285.23
72898	Hydrogen_Bond_Donor_Count	1
55603	Undefined_Bond_Stereo_Count	0
72137	Isotope_Atom_Count	0
32346	Defined_Bond_Stereo_Count	0
9874591	Hydrogen_Bond_Acceptor_Count	12
131699179	Hydrogen_Bond_Donor_Count	5
7516	Defined_Bond_Stereo_Count	0
36294	Covalent_Unit_Count	1
15098	Molecular_Weight	347.2
66603	Exact_Mass	247.877940
54150876	Hydrogen_Bond_Acceptor_Count	3
107870	Hydrogen_Bond_Donor_Count	3
9926586	Total_Formal_Charge	0
71750	Rotatable_Bond_Count	0
41958	Exact_Mass	132.078644241
4136	Rotatable_Bond_Count	4
9650	Undefined_Bond_Stereo_Count	0
160280695	Hydrogen_Bond_Donor_Count	0
7186	Hydrogen_Bond_Acceptor_Count	3
5288173	Exact_Mass	327.256214676
9690	Structure_Complexity	382
630689	Defined_Atom_Stereo_Count	0
16683004	Exact_Mass	1052.40908
11564467	Molecular_Weight	101.10
129722163	Covalent_Unit_Count	3
154437	Structure_Complexity	1250
139291782	Exact_Mass	922.36702371
98174	Exact_Mass	263.131014166
7667	Undefined_Bond_Stereo_Count	1
8366	Exact_Mass	248.152477885
2763134	Mono_Isotopic_Weight	114.068079557
49866023	Defined_Atom_Stereo_Count	2
82611	Total_Formal_Charge	0
73211	Undefined_Bond_Stereo_Count	0
85774373	Defined_Atom_Stereo_Count	0
9865514	XLogP3-AA	3
15439201	Total_Formal_Charge	0
39709	Defined_Bond_Stereo_Count	0
9800285	Defined_Atom_Stereo_Count	1
34526	Hydrogen_Bond_Donor_Count	0
1125887	Undefined_Atom_Stereo_Count	0
81629	Undefined_Atom_Stereo_Count	0
5357258	Hydrogen_Bond_Acceptor_Count	0
8970	Total_Formal_Charge	0
75674	Hydrogen_Bond_Donor_Count	0
54521625	Hydrogen_Bond_Donor_Count	1
7623	XLogP3-AA	3.8
66489873	Undefined_Atom_Stereo_Count	0
5281701	XLogP3	1
78860	Total_Formal_Charge	0
5488631	Hydrogen_Bond_Donor_Count	1
140359629	Defined_Atom_Stereo_Count	0
16028	Molecular_Weight	242.46
68343	Defined_Bond_Stereo_Count	0
57394211	Defined_Bond_Stereo_Count	0
164330	Defined_Bond_Stereo_Count	0
134693234	Total_Formal_Charge	0
39176	Undefined_Atom_Stereo_Count	2
10758	Hydrogen_Bond_Acceptor_Count	2
86218	Undefined_Atom_Stereo_Count	1
6436057	Structure_Complexity	548
754780	TPSA	68.5
7842	Rotatable_Bond_Count	0
137699165	Covalent_Unit_Count	1
54324490	Non-hydrogen_Atom_Count	7
9808998	Exact_Mass	608.17545772
6918524	Total_Formal_Charge	0
72704673	Mono_Isotopic_Weight	348.23005950
25160	Covalent_Unit_Count	1
3080646	Hydrogen_Bond_Donor_Count	2
5173	Total_Formal_Charge	0
222536	Structure_Complexity	125
83960	Rotatable_Bond_Count	8
3799953	Rotatable_Bond_Count	1
4528	Rotatable_Bond_Count	1
447569	Defined_Atom_Stereo_Count	2
23163355	Hydrogen_Bond_Acceptor_Count	3
13388323	Exact_Mass	112.03851076
23350	Undefined_Bond_Stereo_Count	0
47466	Molecular_Weight	207.27
153976605	Defined_Bond_Stereo_Count	0
12531	XLogP3	6.7
46127	Hydrogen_Bond_Donor_Count	1
96287	Non-hydrogen_Atom_Count	25
139080466	Defined_Atom_Stereo_Count	2
44394119	Defined_Atom_Stereo_Count	2
69288	Isotope_Atom_Count	0
124249048	Mono_Isotopic_Weight	107.073499291
163548545	Non-hydrogen_Atom_Count	8
59232326	Molecular_Weight	501.6
54595803	Defined_Bond_Stereo_Count	0
3083702	XLogP3-AA	0.2
4707	Undefined_Bond_Stereo_Count	0
14017772	TPSA	72.6
31639	Non-hydrogen_Atom_Count	14
440018	Total_Formal_Charge	0
20849290	Undefined_Bond_Stereo_Count	0
10833710	Total_Formal_Charge	0
7914	Hydrogen_Bond_Donor_Count	0
129629634	Rotatable_Bond_Count	0
34306	Exact_Mass	204.11840105
85760873	Defined_Atom_Stereo_Count	0
20378083	Undefined_Bond_Stereo_Count	0
145644354	TPSA	41.5
12888377	Non-hydrogen_Atom_Count	8
22313112	Mono_Isotopic_Weight	352.03419
10632495	Rotatable_Bond_Count	4
4829	Total_Formal_Charge	0
1471380	Hydrogen_Bond_Acceptor_Count	5
10715	Hydrogen_Bond_Donor_Count	2
107750	Exact_Mass	403.1662694
439284	Isotope_Atom_Count	0
637996	Hydrogen_Bond_Donor_Count	0
9901617	Non-hydrogen_Atom_Count	20
11007917	Exact_Mass	128.083729621
135920954	Hydrogen_Bond_Acceptor_Count	7
12773795	TPSA	27
57396213	Hydrogen_Bond_Donor_Count	2
604519	Covalent_Unit_Count	1
87323	Undefined_Bond_Stereo_Count	0
6992563	Exact_Mass	287.19573968
75564	Hydrogen_Bond_Donor_Count	1
5281006	Total_Formal_Charge	0
3983	Undefined_Atom_Stereo_Count	1
940066	Defined_Atom_Stereo_Count	0
2737289	XLogP3	0.8
68066	Structure_Complexity	564
119432	Hydrogen_Bond_Acceptor_Count	1
23282891	Structure_Complexity	298
3661	Defined_Bond_Stereo_Count	0
17748670	Hydrogen_Bond_Donor_Count	24
10921	Isotope_Atom_Count	0
235738	Undefined_Bond_Stereo_Count	0
67641738	Defined_Bond_Stereo_Count	0
121891	Molecular_Weight	315.4
3083444	Rotatable_Bond_Count	26
66071945	Total_Formal_Charge	0
62341	Defined_Atom_Stereo_Count	0
14262	Structure_Complexity	47.1
64934	TPSA	221
60165517	XLogP3-AA	3.8
721436	Defined_Atom_Stereo_Count	1
44310721	Isotope_Atom_Count	0
567743	Hydrogen_Bond_Acceptor_Count	3
565251	Isotope_Atom_Count	0
56972736	Isotope_Atom_Count	0
13658	Total_Formal_Charge	0
90803	Isotope_Atom_Count	0
62887	Total_Formal_Charge	2
173058	Rotatable_Bond_Count	3
45266540	Structure_Complexity	1470
31256	Tautomer_Count	6
131749560	Exact_Mass	164.139901825
89580	Molecular_Weight	88.11
70177	Defined_Atom_Stereo_Count	0
165717	Exact_Mass	100.052429494
4160	Covalent_Unit_Count	1
63418	Molecular_Weight	345.8
12266719	Undefined_Bond_Stereo_Count	0
71124	Isotope_Atom_Count	0
61163	TPSA	32.7
7289	Isotope_Atom_Count	0
163613625	Non-hydrogen_Atom_Count	7
136655	Exact_Mass	159.079647300
572616	XLogP3-AA	0.6
12741658	Exact_Mass	100.052429494
8449	Isotope_Atom_Count	0
10241	Hydrogen_Bond_Donor_Count	0
17579	Tautomer_Count	1
3955	Hydrogen_Bond_Acceptor_Count	3
137224318	Undefined_Atom_Stereo_Count	0
69994	Undefined_Bond_Stereo_Count	0
70333	Undefined_Atom_Stereo_Count	0
16049090	XLogP3-AA	2.6
129627386	Molecular_Weight	447.4
135398570	Defined_Atom_Stereo_Count	4
805	Hydrogen_Bond_Acceptor_Count	12
76448	Exact_Mass	310.07588133
85421	Mono_Isotopic_Weight	505.208512955
23675242	Tautomer_Count	1
137944176	Mono_Isotopic_Weight	99.068413911
57395978	Isotope_Atom_Count	0
6419942	Tautomer_Count	1
3083943	Tautomer_Count	1
72765870	TPSA	37.4
49808	Undefined_Bond_Stereo_Count	0
68028	Mono_Isotopic_Weight	112.01359920
71200	Mono_Isotopic_Weight	292.215078140
18327808	Undefined_Bond_Stereo_Count	0
3379942	Molecular_Weight	510.5
5281607	Undefined_Atom_Stereo_Count	0
11503417	Structure_Complexity	644
242912	Undefined_Bond_Stereo_Count	0
22286946	Undefined_Atom_Stereo_Count	1
7340	Defined_Atom_Stereo_Count	0
24794350	Undefined_Bond_Stereo_Count	0
135621753	Mono_Isotopic_Weight	107.048347172
234475	Defined_Bond_Stereo_Count	0
135403829	Hydrogen_Bond_Acceptor_Count	3
89582531	Mono_Isotopic_Weight	113.022526347
22731	XLogP3-AA	1.5
23488	Hydrogen_Bond_Donor_Count	1
9956	Hydrogen_Bond_Donor_Count	2
96373	Undefined_Atom_Stereo_Count	0
120269	Total_Formal_Charge	0
85296	Defined_Bond_Stereo_Count	0
9514	Total_Formal_Charge	0
71463896	Structure_Complexity	1060
18407200	Undefined_Atom_Stereo_Count	0
78201192	Defined_Atom_Stereo_Count	0
5462306	Undefined_Bond_Stereo_Count	0
123672484	TPSA	21.6
5284533	Covalent_Unit_Count	1
76989	Undefined_Atom_Stereo_Count	0
94037	Non-hydrogen_Atom_Count	25
89572	Mono_Isotopic_Weight	214.0396719
21996	Undefined_Atom_Stereo_Count	1
61511	Hydrogen_Bond_Donor_Count	0
25244017	Isotope_Atom_Count	0
825784	Covalent_Unit_Count	1
9826034	Molecular_Weight	471.5
19768091	Hydrogen_Bond_Donor_Count	0
13531445	Undefined_Bond_Stereo_Count	0
122198135	Defined_Bond_Stereo_Count	0
68109743	Non-hydrogen_Atom_Count	29
347748	Hydrogen_Bond_Donor_Count	1
11962267	Non-hydrogen_Atom_Count	7
23630026	Undefined_Atom_Stereo_Count	0
136898365	Isotope_Atom_Count	1
88553883	Molecular_Weight	100.07
9171	Mono_Isotopic_Weight	228.093900383
529264	TPSA	29.5
736858	Covalent_Unit_Count	1
22024864	Structure_Complexity	97.1
13800357	Covalent_Unit_Count	1
2826713	Isotope_Atom_Count	0
56842037	Hydrogen_Bond_Acceptor_Count	70
1221	Covalent_Unit_Count	1
2884	Molecular_Weight	1062.3
135763205	Exact_Mass	384.04160728
13363	Covalent_Unit_Count	2
118984396	Defined_Atom_Stereo_Count	2
15614042	Defined_Bond_Stereo_Count	0
105093	Molecular_Weight	196.96657
19349372	Exact_Mass	85.089149355
10407120	Mono_Isotopic_Weight	375.15829154
13331	Structure_Complexity	410
23665411	Undefined_Bond_Stereo_Count	0
40467008	Defined_Bond_Stereo_Count	0
2778574	Total_Formal_Charge	0
9811834	Mono_Isotopic_Weight	411.20457303
23394557	TPSA	93.2
102119819	Non-hydrogen_Atom_Count	19
123934238	Undefined_Atom_Stereo_Count	3
9821547	TPSA	77.4
44525553	Molecular_Weight	370.4
112230	Defined_Atom_Stereo_Count	0
76442017	Isotope_Atom_Count	0
2736256	Isotope_Atom_Count	0
6918493	Undefined_Atom_Stereo_Count	0
16212481	Exact_Mass	422.07686844
65914	Total_Formal_Charge	0
45356876	Hydrogen_Bond_Acceptor_Count	8
56033	Tautomer_Count	5
87282052	TPSA	107
11469055	Undefined_Bond_Stereo_Count	0
5377571	TPSA	107
35360	Non-hydrogen_Atom_Count	12
21248212	Hydrogen_Bond_Donor_Count	0
22082547	Hydrogen_Bond_Donor_Count	0
3093785	Covalent_Unit_Count	1
984821	Mono_Isotopic_Weight	395.13688739
3054741	Isotope_Atom_Count	0
82502376	Structure_Complexity	77.7
54445182	Defined_Bond_Stereo_Count	0
66053	Defined_Bond_Stereo_Count	0
1438038	Defined_Bond_Stereo_Count	0
11865410	Undefined_Bond_Stereo_Count	0
73343	Mono_Isotopic_Weight	164.04419074
546717	Defined_Atom_Stereo_Count	0
11250647	Undefined_Bond_Stereo_Count	0
16154396	Hydrogen_Bond_Acceptor_Count	22
103528	Total_Formal_Charge	0
10240772	Defined_Atom_Stereo_Count	0
91468	Hydrogen_Bond_Donor_Count	0
107280	Hydrogen_Bond_Acceptor_Count	6
121396	Defined_Atom_Stereo_Count	1
8408	Defined_Bond_Stereo_Count	0
55472	Molecular_Weight	837.0
2203	Undefined_Atom_Stereo_Count	3
792027	Hydrogen_Bond_Donor_Count	1
20662793	Isotope_Atom_Count	0
53240376	Mono_Isotopic_Weight	726.07603
44389437	Total_Formal_Charge	0
52912189	Structure_Complexity	665
453958	Hydrogen_Bond_Acceptor_Count	3
45085092	Isotope_Atom_Count	0
3731	Defined_Bond_Stereo_Count	0
3195	Defined_Atom_Stereo_Count	0
6919078	Non-hydrogen_Atom_Count	12
2273	Non-hydrogen_Atom_Count	23
3653077	Structure_Complexity	432
2763078	Hydrogen_Bond_Donor_Count	1
53483390	Defined_Atom_Stereo_Count	5
69488652	Covalent_Unit_Count	1
58291777	Rotatable_Bond_Count	2
6604378	Isotope_Atom_Count	0
11407412	Total_Formal_Charge	0
383414	Hydrogen_Bond_Acceptor_Count	14
5368396	Tautomer_Count	1
71462389	Total_Formal_Charge	0
558359	TPSA	49.3
449293	Isotope_Atom_Count	0
111332	Defined_Bond_Stereo_Count	0
11182600	Molecular_Weight	117.15
6279	Covalent_Unit_Count	1
99338	Covalent_Unit_Count	1
2132	Hydrogen_Bond_Donor_Count	3
18822	Isotope_Atom_Count	0
46934729	Undefined_Atom_Stereo_Count	0
22385738	Total_Formal_Charge	0
66908	Defined_Atom_Stereo_Count	0
32675	Covalent_Unit_Count	2
71300726	Non-hydrogen_Atom_Count	225
15679	Non-hydrogen_Atom_Count	19
25271873	Mono_Isotopic_Weight	251.175952981
6419921	Tautomer_Count	1
444718	Isotope_Atom_Count	0
12594991	Hydrogen_Bond_Acceptor_Count	1
134129703	Defined_Bond_Stereo_Count	2
88454	TPSA	26.3
91200785	Undefined_Atom_Stereo_Count	0
67371	Total_Formal_Charge	0
159199	Non-hydrogen_Atom_Count	9
60154328	Undefined_Atom_Stereo_Count	0
6437877	Defined_Bond_Stereo_Count	2
5702293	Hydrogen_Bond_Donor_Count	4
661938	Non-hydrogen_Atom_Count	31
73887162	Total_Formal_Charge	0
11768539	Tautomer_Count	1
12186	TPSA	20.2
68129	Molecular_Weight	112.08
5026	Non-hydrogen_Atom_Count	26
88012	Non-hydrogen_Atom_Count	10
68683	Covalent_Unit_Count	1
520744	Molecular_Weight	142.24
13521	Hydrogen_Bond_Acceptor_Count	4
15424	Isotope_Atom_Count	0
18381089	Undefined_Bond_Stereo_Count	0
6439276	Covalent_Unit_Count	2
10311306	Hydrogen_Bond_Acceptor_Count	9
66571	Non-hydrogen_Atom_Count	21
14112079	TPSA	40.5
51397022	Non-hydrogen_Atom_Count	31
11957721	Hydrogen_Bond_Acceptor_Count	9
447029	Defined_Bond_Stereo_Count	0
51402807	Non-hydrogen_Atom_Count	33
139593379	Non-hydrogen_Atom_Count	46
482604	Mono_Isotopic_Weight	284.08575825
192711	Non-hydrogen_Atom_Count	22
21067	Hydrogen_Bond_Acceptor_Count	3
494123	XLogP3-AA	4.8
868	Rotatable_Bond_Count	2
49783923	Undefined_Atom_Stereo_Count	0
39688	Hydrogen_Bond_Acceptor_Count	6
6331630	XLogP3-AA	1.1
25127713	Undefined_Bond_Stereo_Count	0
2723866	Molecular_Weight	215.63
3738	Hydrogen_Bond_Donor_Count	16
54307	Undefined_Atom_Stereo_Count	0
10867	Isotope_Atom_Count	0
12835187	XLogP3-AA	0.2
135565623	Exact_Mass	1325.35377640
559	Rotatable_Bond_Count	4
6294	Undefined_Bond_Stereo_Count	0
101944071	Non-hydrogen_Atom_Count	22
2762838	Tautomer_Count	1
114834	Total_Formal_Charge	0
148837658	Total_Formal_Charge	0
16221343	Hydrogen_Bond_Acceptor_Count	10
82335	Defined_Atom_Stereo_Count	1
10331863	Exact_Mass	240.10627659
5371728	Molecular_Weight	369.6
12609613	TPSA	20.2
161780	Molecular_Weight	526.2
37888405	Undefined_Bond_Stereo_Count	0
34327	Undefined_Atom_Stereo_Count	0
20334570	Mono_Isotopic_Weight	116.083729621
65079	Covalent_Unit_Count	1
75633	XLogP3-AA	0.5
6852147	Hydrogen_Bond_Acceptor_Count	7
692135	Isotope_Atom_Count	0
93143	Hydrogen_Bond_Acceptor_Count	6
2833	Exact_Mass	399.16818752
837	Total_Formal_Charge	0
65092	Exact_Mass	90.01393598
153929434	Defined_Bond_Stereo_Count	0
92876	Mono_Isotopic_Weight	291.1156697
73706	Non-hydrogen_Atom_Count	13
66475	Hydrogen_Bond_Acceptor_Count	4
42768	Exact_Mass	520.22725974
398148	Defined_Bond_Stereo_Count	0
7364	Covalent_Unit_Count	1
8441	Defined_Bond_Stereo_Count	0
566828	Molecular_Weight	98.11
61101	Mono_Isotopic_Weight	208.06953611
24883429	Structure_Complexity	819
23676755	Total_Formal_Charge	0
252372	Defined_Bond_Stereo_Count	0
13401996	Non-hydrogen_Atom_Count	6
87754	Molecular_Weight	215.04
65417277	Covalent_Unit_Count	1
86209	Structure_Complexity	174
183812	Exact_Mass	464.14396435
79723	Hydrogen_Bond_Acceptor_Count	8
87853465	Undefined_Bond_Stereo_Count	0
23625548	Hydrogen_Bond_Donor_Count	1
60196340	XLogP3-AA	1.8
3803614	XLogP3-AA	0.6
45410	Non-hydrogen_Atom_Count	19
12296	Molecular_Weight	102.17
89390979	Rotatable_Bond_Count	0
638047	Rotatable_Bond_Count	2
123200332	Defined_Atom_Stereo_Count	0
1570	Isotope_Atom_Count	0
84106846	Exact_Mass	114.104465066
214348	Total_Formal_Charge	0
63801	Non-hydrogen_Atom_Count	37
5744890	Mono_Isotopic_Weight	357.2434571
531	Mono_Isotopic_Weight	852.16797410
8294	Hydrogen_Bond_Acceptor_Count	2
3326	TPSA	26.8
29809	Rotatable_Bond_Count	8
59456120	Hydrogen_Bond_Acceptor_Count	8
45117213	XLogP3	1.7
22224184	Hydrogen_Bond_Acceptor_Count	0
65786	Tautomer_Count	2
4407718	Structure_Complexity	1790
18323753	Total_Formal_Charge	0
8323	Tautomer_Count	12
53317617	Hydrogen_Bond_Acceptor_Count	9
11498	Undefined_Atom_Stereo_Count	0
12383043	Structure_Complexity	64
8809	Hydrogen_Bond_Acceptor_Count	5
25015107	Molecular_Weight	490.6
3083542	Molecular_Weight	400.5
9812710	Undefined_Atom_Stereo_Count	0
1	Hydrogen_Bond_Acceptor_Count	4
9844194	XLogP3-AA	3
85760873	XLogP3-AA	2.2
75358112	Hydrogen_Bond_Donor_Count	6
11638	Tautomer_Count	1
19871	Hydrogen_Bond_Donor_Count	1
57674785	Exact_Mass	111.068413911
41958	Covalent_Unit_Count	1
268488	Hydrogen_Bond_Donor_Count	3
44144456	Undefined_Bond_Stereo_Count	0
82153	Isotope_Atom_Count	0
14681325	Isotope_Atom_Count	0
54677756	XLogP3-AA	2.3
71035	Defined_Bond_Stereo_Count	0
25091037	Undefined_Bond_Stereo_Count	0
40697	Molecular_Weight	321.5
93798	Defined_Bond_Stereo_Count	0
106705	Undefined_Bond_Stereo_Count	0
83952	Hydrogen_Bond_Acceptor_Count	14
132274082	Exact_Mass	1201.84136802
8437	Total_Formal_Charge	0
693507	Structure_Complexity	435
154731141	Defined_Bond_Stereo_Count	0
443405	Defined_Atom_Stereo_Count	3
6419966	TPSA	244
153127831	Hydrogen_Bond_Acceptor_Count	1
12787246	Defined_Bond_Stereo_Count	0
104735	Hydrogen_Bond_Donor_Count	1
94744	Molecular_Weight	117.15
91612585	Molecular_Weight	112.17
6255	Molecular_Weight	342.30
44571147	TPSA	74.5
5353355	Mono_Isotopic_Weight	318.21949481
136316	TPSA	0
22280261	Rotatable_Bond_Count	1
55245	TPSA	40.5
9808828	Hydrogen_Bond_Acceptor_Count	5
222757	Undefined_Atom_Stereo_Count	0
1614	Hydrogen_Bond_Donor_Count	1
149026	Undefined_Atom_Stereo_Count	0
70685868	Defined_Bond_Stereo_Count	0
21563	TPSA	32.5
86593	Isotope_Atom_Count	0
1501	Undefined_Atom_Stereo_Count	1
17179	Molecular_Weight	332.2
24847884	Rotatable_Bond_Count	0
5533	Rotatable_Bond_Count	5
14946	Defined_Atom_Stereo_Count	2
21927749	Structure_Complexity	98.6
5311055	Non-hydrogen_Atom_Count	27
123208701	Molecular_Weight	99.17
66261	Structure_Complexity	257
6435801	Mono_Isotopic_Weight	250.07185858
10888022	Isotope_Atom_Count	0
65859	Defined_Bond_Stereo_Count	0
7029	Rotatable_Bond_Count	5
23674746	Exact_Mass	555.03657441
73608879	Undefined_Bond_Stereo_Count	0
53906657	Hydrogen_Bond_Acceptor_Count	2
178565	TPSA	67.4
10788	Covalent_Unit_Count	1
903168	Mono_Isotopic_Weight	329.0059467
10347501	Exact_Mass	549.16353150
29029	Defined_Atom_Stereo_Count	7
9804743	XLogP3-AA	3
129726370	Mono_Isotopic_Weight	266.224580195
31013	Defined_Atom_Stereo_Count	0
440202	Covalent_Unit_Count	1
6210	Structure_Complexity	63.1
62705690	Structure_Complexity	709
119095034	XLogP3-AA	0.9
10303030	Defined_Bond_Stereo_Count	0
3058737	Rotatable_Bond_Count	8
79882	Exact_Mass	87.104799419
41505	Undefined_Atom_Stereo_Count	0
73707487	Defined_Bond_Stereo_Count	0
230076	Hydrogen_Bond_Donor_Count	11
12309462	Structure_Complexity	470
139902903	Covalent_Unit_Count	1
17806	Defined_Bond_Stereo_Count	0
70014	Defined_Bond_Stereo_Count	0
5526	Covalent_Unit_Count	1
17963141	TPSA	87.3
86599	Defined_Atom_Stereo_Count	0
12497562	Total_Formal_Charge	0
12374	Hydrogen_Bond_Acceptor_Count	2
10176589	Isotope_Atom_Count	0
18710462	Isotope_Atom_Count	0
61181	Structure_Complexity	25.5
195432	TPSA	118
87212	Undefined_Bond_Stereo_Count	0
4449	Defined_Atom_Stereo_Count	0
2318546	Defined_Atom_Stereo_Count	0
14782182	Undefined_Atom_Stereo_Count	0
5648	Rotatable_Bond_Count	10
27868	Isotope_Atom_Count	0
7020	Defined_Atom_Stereo_Count	0
65093	Undefined_Atom_Stereo_Count	0
6918267	Mono_Isotopic_Weight	755.48197664
88153938	Rotatable_Bond_Count	1
53956290	TPSA	117
5553	Isotope_Atom_Count	0
95508	Hydrogen_Bond_Acceptor_Count	3
6400441	Isotope_Atom_Count	0
10255142	Undefined_Atom_Stereo_Count	0
8981	XLogP3-AA	2.8
7181	XLogP3	1
115368	Molecular_Weight	426.6
8050	Covalent_Unit_Count	1
164748	Exact_Mass	155.9909149
8470	Rotatable_Bond_Count	3
22166430	Non-hydrogen_Atom_Count	7
972505	Non-hydrogen_Atom_Count	22
2118	Exact_Mass	308.0828741
97065	Molecular_Weight	226.4
39860873	Defined_Atom_Stereo_Count	0
3123	Undefined_Atom_Stereo_Count	1
124112720	Defined_Bond_Stereo_Count	0
10219373	Isotope_Atom_Count	0
43103	Rotatable_Bond_Count	5
12018	XLogP3-AA	0.8
10031812	Undefined_Bond_Stereo_Count	0
15657508	Mono_Isotopic_Weight	100.052429494
194953	Exact_Mass	202.09535693
136325	XLogP3-AA	2.6
16211214	Defined_Bond_Stereo_Count	0
41934	Defined_Bond_Stereo_Count	0
3037918	Structure_Complexity	352
24875318	Defined_Bond_Stereo_Count	0
66624196	Defined_Atom_Stereo_Count	0
32803	Defined_Bond_Stereo_Count	0
2724248	Molecular_Weight	260.29
131869249	Molecular_Weight	203.41
11232421	Rotatable_Bond_Count	5
44310513	Total_Formal_Charge	0
4870	Defined_Atom_Stereo_Count	0
5078908	Defined_Atom_Stereo_Count	0
90714454	TPSA	29.5
135424953	Non-hydrogen_Atom_Count	18
3001055	Defined_Bond_Stereo_Count	1
85945952	Hydrogen_Bond_Acceptor_Count	2
205953	Undefined_Atom_Stereo_Count	2
5355219	TPSA	53.1
13653621	Undefined_Atom_Stereo_Count	2
437721	Structure_Complexity	91.7
58084	XLogP3-AA	2.6
60196414	Isotope_Atom_Count	0
589863	Rotatable_Bond_Count	0
3300	Molecular_Weight	290.36
7762	Hydrogen_Bond_Donor_Count	0
3038481	TPSA	118
81320	TPSA	52.6
115236	Molecular_Weight	315.39
14667	Rotatable_Bond_Count	4
7059596	TPSA	23.5
13574480	Rotatable_Bond_Count	2
21058	Mono_Isotopic_Weight	309.993027
139254656	Covalent_Unit_Count	1
382	Defined_Atom_Stereo_Count	0
79998	Tautomer_Count	1
40973	Rotatable_Bond_Count	2
13543311	Defined_Atom_Stereo_Count	0
5282226	Hydrogen_Bond_Acceptor_Count	9
961	Isotope_Atom_Count	0
39534	Tautomer_Count	1
57286108	Rotatable_Bond_Count	2
32756	TPSA	273
16132269	Undefined_Atom_Stereo_Count	0
3033226	Exact_Mass	289.07726451
54496696	Non-hydrogen_Atom_Count	7
6711153	XLogP3-AA	7.5
70695640	Undefined_Atom_Stereo_Count	1
12299881	Covalent_Unit_Count	1
151476	Mono_Isotopic_Weight	235.98105
92877	Mono_Isotopic_Weight	276.245315640
14611919	Undefined_Bond_Stereo_Count	0
6427110	Covalent_Unit_Count	1
5364714	Rotatable_Bond_Count	13
5281877	Undefined_Atom_Stereo_Count	0
118499237	Rotatable_Bond_Count	3
156212	XLogP3	5.5
6940	Defined_Atom_Stereo_Count	0
27561	Hydrogen_Bond_Acceptor_Count	2
2578	Structure_Complexity	156
327216	Non-hydrogen_Atom_Count	7
66915701	Non-hydrogen_Atom_Count	15
71724	Mono_Isotopic_Weight	359.11510657
9576912	Molecular_Weight	391.4
13218779	Isotope_Atom_Count	0
55515	Structure_Complexity	350
8113	Rotatable_Bond_Count	4
20220682	Exact_Mass	116.083729621
16752772	Defined_Atom_Stereo_Count	0
548545	Covalent_Unit_Count	1
90078	Tautomer_Count	3
23721821	Non-hydrogen_Atom_Count	34
135596593	Undefined_Atom_Stereo_Count	1
3828	Rotatable_Bond_Count	2
3081077	Mono_Isotopic_Weight	392.118897
5367222	Undefined_Atom_Stereo_Count	0
39860	Structure_Complexity	524
184934	Defined_Atom_Stereo_Count	0
68066	Total_Formal_Charge	0
10887879	Hydrogen_Bond_Acceptor_Count	2
12837	Structure_Complexity	185
6237	Exact_Mass	517.88759
5702285	Mono_Isotopic_Weight	263.0843696
149519	Non-hydrogen_Atom_Count	26
146681110	Structure_Complexity	2010
6918332	Non-hydrogen_Atom_Count	27
8126	Tautomer_Count	1
9843089	TPSA	86.4
14238	Defined_Atom_Stereo_Count	0
64972	Rotatable_Bond_Count	2
3840	Undefined_Atom_Stereo_Count	0
89767	Undefined_Bond_Stereo_Count	0
16154789	Molecular_Weight	1198.9
18924037	Covalent_Unit_Count	1
132281660	Molecular_Weight	213.24
193270	Rotatable_Bond_Count	4
11480420	Mono_Isotopic_Weight	112.063662883
9568700	Hydrogen_Bond_Acceptor_Count	5
1752534	Rotatable_Bond_Count	3
786624	Mono_Isotopic_Weight	330.993362
72728884	Isotope_Atom_Count	0
84221363	Mono_Isotopic_Weight	98.048012819
11703255	Mono_Isotopic_Weight	361.0550851
11156438	Total_Formal_Charge	0
292184	Non-hydrogen_Atom_Count	12
84531	Exact_Mass	152.120115130
14060968	Mono_Isotopic_Weight	98.036779430
44550483	Isotope_Atom_Count	0
37840	Isotope_Atom_Count	0
132277953	Non-hydrogen_Atom_Count	20
176870	Exact_Mass	393.16885622
58855663	Non-hydrogen_Atom_Count	1
2734232	Defined_Bond_Stereo_Count	0
64972	Isotope_Atom_Count	0
12472902	Non-hydrogen_Atom_Count	18
29356	Rotatable_Bond_Count	6
53924282	Hydrogen_Bond_Acceptor_Count	2
6473882	Structure_Complexity	1540
20118	Defined_Atom_Stereo_Count	0
101978361	Isotope_Atom_Count	0
11208	Mono_Isotopic_Weight	72.057514874
46853873	Non-hydrogen_Atom_Count	93
70662752	Molecular_Weight	112.17
25127621	Molecular_Weight	395.4
5311071	Undefined_Atom_Stereo_Count	0
23730858	Undefined_Bond_Stereo_Count	0
123481823	Rotatable_Bond_Count	0
18779169	Exact_Mass	112.063662883
23957	Mono_Isotopic_Weight	96.90636
6328648	Covalent_Unit_Count	1
11597697	Rotatable_Bond_Count	8
179336	Defined_Bond_Stereo_Count	0
53635139	Total_Formal_Charge	0
71157	Hydrogen_Bond_Donor_Count	1
129654248	Undefined_Bond_Stereo_Count	0
12421370	Defined_Atom_Stereo_Count	0
22491624	Total_Formal_Charge	0
70106	Exact_Mass	98.073164938
592915	TPSA	72.9
189460	Molecular_Weight	125.13
12697524	Molecular_Weight	370.4
136081	Mono_Isotopic_Weight	134.01902136
9719	Non-hydrogen_Atom_Count	22
72703790	Isotope_Atom_Count	0
543879	XLogP3-AA	1.4
11958189	Hydrogen_Bond_Donor_Count	2
3014084	Structure_Complexity	119
21168	Undefined_Atom_Stereo_Count	0
5708528	Hydrogen_Bond_Donor_Count	0
22609888	Hydrogen_Bond_Donor_Count	0
6603820	TPSA	52.5
129830713	Molecular_Weight	201.26
131510180	Isotope_Atom_Count	0
19830271	Defined_Atom_Stereo_Count	0
59952	Defined_Bond_Stereo_Count	0
46173365	Undefined_Atom_Stereo_Count	0
44561	Rotatable_Bond_Count	0
8183	Undefined_Atom_Stereo_Count	0
115017	Hydrogen_Bond_Acceptor_Count	0
17739	Non-hydrogen_Atom_Count	12
130122059	Total_Formal_Charge	0
16219856	Molecular_Weight	483.5
9818903	Undefined_Bond_Stereo_Count	0
96805	Molecular_Weight	245.28
70689447	Exact_Mass	472.12224
5288266	TPSA	57.5
19871	Covalent_Unit_Count	1
9817550	Undefined_Bond_Stereo_Count	0
3024	Hydrogen_Bond_Donor_Count	0
6441606	Non-hydrogen_Atom_Count	29
42000	Non-hydrogen_Atom_Count	18
12415	Defined_Bond_Stereo_Count	0
4148881	Hydrogen_Bond_Acceptor_Count	1
11040651	Mono_Isotopic_Weight	110.073164938
1594567	Non-hydrogen_Atom_Count	29
135430945	Covalent_Unit_Count	2
13530	Mono_Isotopic_Weight	159.924948
82993	Non-hydrogen_Atom_Count	4
86210061	Structure_Complexity	267
11522448	Mono_Isotopic_Weight	310.1369878
18542107	Defined_Atom_Stereo_Count	0
6918837	Exact_Mass	349.17902698
136673	Defined_Bond_Stereo_Count	0
817967	Hydrogen_Bond_Donor_Count	1
9380	Total_Formal_Charge	0
135398670	Hydrogen_Bond_Acceptor_Count	5
5440	Total_Formal_Charge	0
9849616	Hydrogen_Bond_Acceptor_Count	3
7155	Molecular_Weight	191.23
131130	Hydrogen_Bond_Donor_Count	4
85963	Covalent_Unit_Count	1
6099	Defined_Atom_Stereo_Count	0
87815038	Hydrogen_Bond_Donor_Count	1
12634653	Exact_Mass	80.062600255
10184529	Mono_Isotopic_Weight	483.15764009
145744	Tautomer_Count	2
69227465	Undefined_Bond_Stereo_Count	0
7015	Defined_Atom_Stereo_Count	0
20113	Tautomer_Count	1
34591	Defined_Bond_Stereo_Count	0
145391309	Non-hydrogen_Atom_Count	7
351622	Structure_Complexity	103
40466887	Structure_Complexity	614
180559	TPSA	84.6
51357128	Defined_Atom_Stereo_Count	1
9742	Hydrogen_Bond_Acceptor_Count	2
19001	Tautomer_Count	1
64421	Defined_Bond_Stereo_Count	0
5311505	Molecular_Weight	449.6
67375395	Molecular_Weight	411.5
124021	Tautomer_Count	14
3641960	Rotatable_Bond_Count	1
21866342	Undefined_Bond_Stereo_Count	0
6439276	Hydrogen_Bond_Acceptor_Count	12
11256720	Covalent_Unit_Count	1
40894	Defined_Atom_Stereo_Count	0
16049024	Rotatable_Bond_Count	13
24963	Tautomer_Count	1
161988362	XLogP3-AA	1.6
10887866	Hydrogen_Bond_Acceptor_Count	2
9913968	Mono_Isotopic_Weight	502.11112613
637429	Total_Formal_Charge	0
9929799	Defined_Atom_Stereo_Count	0
694743	Undefined_Bond_Stereo_Count	0
6917852	Mono_Isotopic_Weight	662.0800515
45266646	Defined_Atom_Stereo_Count	8
54258195	Non-hydrogen_Atom_Count	7
72271	Total_Formal_Charge	0
11173	Isotope_Atom_Count	0
14191393	Defined_Bond_Stereo_Count	0
36027	Defined_Bond_Stereo_Count	0
21391884	Hydrogen_Bond_Donor_Count	1
6328648	TPSA	0
87457638	TPSA	86
71946	Hydrogen_Bond_Acceptor_Count	6
8916	Tautomer_Count	1
400	Hydrogen_Bond_Donor_Count	1
226205	Isotope_Atom_Count	0
88533	Hydrogen_Bond_Acceptor_Count	2
23540330	Hydrogen_Bond_Donor_Count	1
146461	Hydrogen_Bond_Donor_Count	1
176870	TPSA	74.7
134694876	Defined_Bond_Stereo_Count	0
46470	Tautomer_Count	2
123612613	Total_Formal_Charge	0
10498206	Total_Formal_Charge	0
775	Molecular_Weight	139.16
57593	Rotatable_Bond_Count	4
7567277	Non-hydrogen_Atom_Count	11
51921893	TPSA	190
44392176	Rotatable_Bond_Count	10
134688015	Hydrogen_Bond_Acceptor_Count	0
241902	Defined_Atom_Stereo_Count	9
99207	Non-hydrogen_Atom_Count	31
20472522	Non-hydrogen_Atom_Count	7
6330188	Undefined_Atom_Stereo_Count	0
124486	Undefined_Bond_Stereo_Count	0
95713	TPSA	26.8
2774635	Tautomer_Count	1
76235	Exact_Mass	489.963710
5257090	Non-hydrogen_Atom_Count	20
92238	TPSA	52.6
5354325	Total_Formal_Charge	0
71742521	Covalent_Unit_Count	1
12759	Hydrogen_Bond_Acceptor_Count	1
19764725	Covalent_Unit_Count	1
52344	Defined_Atom_Stereo_Count	0
3056	XLogP3	3
6858240	Hydrogen_Bond_Acceptor_Count	10
94021	Hydrogen_Bond_Donor_Count	0
15561185	XLogP3-AA	8.8
79476	Structure_Complexity	242
30487	Isotope_Atom_Count	0
22833307	Rotatable_Bond_Count	6
72121	Mono_Isotopic_Weight	308.17494466
47750	Undefined_Atom_Stereo_Count	0
62209	Rotatable_Bond_Count	8
6017	Mono_Isotopic_Weight	501.95313
62421	Covalent_Unit_Count	1
10657742	Structure_Complexity	315
9887053	Non-hydrogen_Atom_Count	15
17078	Mono_Isotopic_Weight	263.87854
23151396	Molecular_Weight	100.08
15654220	Molecular_Weight	112.13
26229	Hydrogen_Bond_Donor_Count	1
59771	Total_Formal_Charge	0
13018409	Undefined_Atom_Stereo_Count	0
135398687	Undefined_Atom_Stereo_Count	0
8370	Defined_Bond_Stereo_Count	0
411828	TPSA	12.5
67782238	Defined_Bond_Stereo_Count	0
53385491	Mono_Isotopic_Weight	1582.6453481
12561969	Non-hydrogen_Atom_Count	8
6751	Defined_Atom_Stereo_Count	0
11174789	Hydrogen_Bond_Acceptor_Count	3
46204763	Undefined_Atom_Stereo_Count	0
19188	Isotope_Atom_Count	0
3035405	Molecular_Weight	1213.4
22125	Defined_Bond_Stereo_Count	0
3267139	Covalent_Unit_Count	1
107983	Molecular_Weight	144.12
18599	Isotope_Atom_Count	0
135484551	Hydrogen_Bond_Donor_Count	4
5460188	Mono_Isotopic_Weight	304.276615768
71306415	Hydrogen_Bond_Donor_Count	5
338733	Total_Formal_Charge	0
139081837	Molecular_Weight	367.4
5371578	Tautomer_Count	1
91264731	Total_Formal_Charge	0
22082536	XLogP3-AA	1.2
134694638	Covalent_Unit_Count	1
16218600	Hydrogen_Bond_Acceptor_Count	6
87645235	Non-hydrogen_Atom_Count	8
20206342	Undefined_Atom_Stereo_Count	0
25124826	Molecular_Weight	444.5
12378	Total_Formal_Charge	0
54108432	Hydrogen_Bond_Acceptor_Count	3
519642	Hydrogen_Bond_Donor_Count	0
4208	Hydrogen_Bond_Donor_Count	4
45168044	XLogP3-AA	4.4
114743	Undefined_Atom_Stereo_Count	0
21962760	Structure_Complexity	57.7
9817550	Molecular_Weight	293.28
165906266	Defined_Bond_Stereo_Count	0
15690	Molecular_Weight	217.9
565593	Total_Formal_Charge	0
50925625	Defined_Bond_Stereo_Count	0
25056	Structure_Complexity	235
2367	XLogP3	0.1
121489349	Hydrogen_Bond_Donor_Count	25
7959	Rotatable_Bond_Count	4
139590844	Defined_Bond_Stereo_Count	0
9577585	Tautomer_Count	5
10072851	Hydrogen_Bond_Donor_Count	2
53846436	TPSA	60.7
44513473	Hydrogen_Bond_Acceptor_Count	6
68290287	Molecular_Weight	114.10
2741000	Covalent_Unit_Count	1
5205	Tautomer_Count	1
119	TPSA	63.3
519103	Hydrogen_Bond_Donor_Count	2
140905	TPSA	9.2
137268	Mono_Isotopic_Weight	103.042199164
22749	Tautomer_Count	1
6444186	Exact_Mass	1022.41395
53401340	Total_Formal_Charge	0
13253262	Isotope_Atom_Count	0
138593	Defined_Atom_Stereo_Count	0
54580	Mono_Isotopic_Weight	500.18442974
96289	Structure_Complexity	133
457035	Exact_Mass	309.11650692
114864	Tautomer_Count	13
1512518	Tautomer_Count	1
53462828	Undefined_Atom_Stereo_Count	2
179512	Undefined_Bond_Stereo_Count	0
9837124	TPSA	132
35763	Defined_Atom_Stereo_Count	0
80428	Total_Formal_Charge	0
4794	Molecular_Weight	181.13
133728	Hydrogen_Bond_Donor_Count	2
49865733	Structure_Complexity	449
19621	Total_Formal_Charge	0
66257	Hydrogen_Bond_Donor_Count	2
33843	Isotope_Atom_Count	0
4343483	TPSA	0
705145	Molecular_Weight	349.4
10219406	XLogP3-AA	1.2
53678373	Non-hydrogen_Atom_Count	8
12236939	Structure_Complexity	74.1
6431301	Defined_Atom_Stereo_Count	2
44603531	Defined_Bond_Stereo_Count	0
7413	Exact_Mass	128.083729621
18942519	Rotatable_Bond_Count	5
94459	Exact_Mass	163.110947427
6291886	Defined_Bond_Stereo_Count	1
17317	Molecular_Weight	236.34
7241	Rotatable_Bond_Count	0
49843517	XLogP3-AA	7.7
2761815	Rotatable_Bond_Count	4
76225402	Total_Formal_Charge	0
524674	Defined_Atom_Stereo_Count	0
7047	Hydrogen_Bond_Donor_Count	0
10038849	TPSA	23.5
135445723	Hydrogen_Bond_Donor_Count	6
689000	Covalent_Unit_Count	1
56673014	Isotope_Atom_Count	0
78220	Hydrogen_Bond_Donor_Count	1
25561	Hydrogen_Bond_Acceptor_Count	4
14539800	Hydrogen_Bond_Donor_Count	5
7961	TPSA	0
4357	Undefined_Atom_Stereo_Count	0
62553	Exact_Mass	178.099379685
78747	Defined_Atom_Stereo_Count	0
14221	Hydrogen_Bond_Acceptor_Count	1
2106909	Rotatable_Bond_Count	2
535110	Mono_Isotopic_Weight	98.073164938
19041912	Mono_Isotopic_Weight	113.047678466
57029485	Covalent_Unit_Count	1
82295	Molecular_Weight	388.27
118161592	Covalent_Unit_Count	1
68741938	Total_Formal_Charge	0
642100	Rotatable_Bond_Count	2
3084338	Molecular_Weight	284.4
16154490	Structure_Complexity	3940
54456063	Rotatable_Bond_Count	2
351791	Covalent_Unit_Count	1
2753	Isotope_Atom_Count	0
22719613	XLogP3-AA	0.9
6722	Isotope_Atom_Count	0
5282435	Isotope_Atom_Count	0
164739	Molecular_Weight	183.20
52946950	Total_Formal_Charge	0
9795056	Hydrogen_Bond_Donor_Count	2
13009	Defined_Bond_Stereo_Count	0
87863	Molecular_Weight	341.4
42928	Undefined_Bond_Stereo_Count	1
442530	Molecular_Weight	403.8
7470	Non-hydrogen_Atom_Count	10
90375453	Defined_Bond_Stereo_Count	0
23255624	Structure_Complexity	338
140799438	Molecular_Weight	97.16
68343	Hydrogen_Bond_Donor_Count	2
87535084	Covalent_Unit_Count	1
23667548	Molecular_Weight	198.11
15450	Non-hydrogen_Atom_Count	9
242364	Structure_Complexity	209
116842112	Undefined_Atom_Stereo_Count	2
15786916	Undefined_Bond_Stereo_Count	0
8412	Defined_Atom_Stereo_Count	0
12995	Total_Formal_Charge	0
12413939	Rotatable_Bond_Count	2
80900	Mono_Isotopic_Weight	244.17869263
3025067	Exact_Mass	256.0978555
11137	Defined_Atom_Stereo_Count	0
96341	Defined_Atom_Stereo_Count	0
299	Molecular_Weight	490.6
163591174	Undefined_Bond_Stereo_Count	0
13157914	Molecular_Weight	120.15
5321948	TPSA	87
16069302	Mono_Isotopic_Weight	439.20082506
23695767	Molecular_Weight	372.3
12632903	Isotope_Atom_Count	0
18736933	Molecular_Weight	129.16
24636	Undefined_Atom_Stereo_Count	0
9571037	Defined_Atom_Stereo_Count	0
51464	Hydrogen_Bond_Donor_Count	0
189563	Structure_Complexity	483
720895	Rotatable_Bond_Count	2
75373	Tautomer_Count	1
11080	Hydrogen_Bond_Acceptor_Count	2
31738	Total_Formal_Charge	0
16058881	Undefined_Atom_Stereo_Count	1
5702237	Hydrogen_Bond_Donor_Count	7
86160	Mono_Isotopic_Weight	297.266779359
30971	Undefined_Bond_Stereo_Count	0
71681166	Isotope_Atom_Count	0
12787245	Molecular_Weight	97.12
71900	Hydrogen_Bond_Acceptor_Count	5
142809	Isotope_Atom_Count	0
12643154	Isotope_Atom_Count	0
346	Non-hydrogen_Atom_Count	19
15278170	Hydrogen_Bond_Donor_Count	1
71300750	TPSA	224
18924154	Covalent_Unit_Count	1
10953453	Non-hydrogen_Atom_Count	8
53316418	Hydrogen_Bond_Acceptor_Count	11
5466139	Rotatable_Bond_Count	1
65974	Covalent_Unit_Count	1
14117201	Defined_Bond_Stereo_Count	0
68722	Exact_Mass	370.1084202
117717938	Structure_Complexity	382
129636405	Non-hydrogen_Atom_Count	156
845646	Hydrogen_Bond_Acceptor_Count	5
5713976	Defined_Bond_Stereo_Count	1
637429	Structure_Complexity	571
4583	TPSA	73.3
129696858	Hydrogen_Bond_Acceptor_Count	8
354	Structure_Complexity	228
29435	Structure_Complexity	132
147205698	TPSA	31.2
5966	Non-hydrogen_Atom_Count	40
65630	Molecular_Weight	231.29
22138511	Tautomer_Count	1
22061626	Undefined_Bond_Stereo_Count	0
643976	Exact_Mass	456.10461526
22238266	Non-hydrogen_Atom_Count	7
91886115	Covalent_Unit_Count	1
8093	TPSA	17.1
4532218	Molecular_Weight	106.19
4874	Total_Formal_Charge	0
87815038	Covalent_Unit_Count	1
53356659	Structure_Complexity	1580
6834	Structure_Complexity	249
25381	Covalent_Unit_Count	2
13932052	Isotope_Atom_Count	0
65667	TPSA	118
57493771	Defined_Bond_Stereo_Count	0
41969	Total_Formal_Charge	0
403016	Undefined_Atom_Stereo_Count	1
53394037	Undefined_Bond_Stereo_Count	1
90169	Hydrogen_Bond_Acceptor_Count	6
68992666	Total_Formal_Charge	0
14968895	Rotatable_Bond_Count	3
220936	Defined_Atom_Stereo_Count	0
10034060	Isotope_Atom_Count	0
5702546	Defined_Atom_Stereo_Count	8
72076	Isotope_Atom_Count	0
15437	Hydrogen_Bond_Acceptor_Count	5
84072909	Rotatable_Bond_Count	1
21989066	Rotatable_Bond_Count	0
70810	Undefined_Bond_Stereo_Count	0
8986	XLogP3-AA	3.3
115366	Mono_Isotopic_Weight	419.0264073
108043	Total_Formal_Charge	0
53442911	Total_Formal_Charge	0
6084	Mono_Isotopic_Weight	375.1237359
14872190	Hydrogen_Bond_Donor_Count	1
6235	Undefined_Bond_Stereo_Count	0
137782	TPSA	0
194519	Hydrogen_Bond_Donor_Count	0
1664	XLogP3-AA	8.4
12452564	Defined_Bond_Stereo_Count	0
13487685	Non-hydrogen_Atom_Count	7
133562737	Hydrogen_Bond_Donor_Count	4
46936435	Undefined_Atom_Stereo_Count	0
247704	TPSA	72.7
44183569	Undefined_Atom_Stereo_Count	0
13247016	Structure_Complexity	44.8
2999	Structure_Complexity	648
5486971	Covalent_Unit_Count	1
69335004	Defined_Bond_Stereo_Count	0
16834	Defined_Bond_Stereo_Count	0
6942	Isotope_Atom_Count	0
44324941	Undefined_Atom_Stereo_Count	0
23667627	Hydrogen_Bond_Donor_Count	1
10130524	Covalent_Unit_Count	1
5363527	Structure_Complexity	185
11469158	Hydrogen_Bond_Acceptor_Count	3
24873435	Isotope_Atom_Count	0
9888	Undefined_Atom_Stereo_Count	0
74049	TPSA	20.3
23571381	Mono_Isotopic_Weight	105.057849228
41308	Defined_Bond_Stereo_Count	0
79693	Undefined_Bond_Stereo_Count	0
79345	Isotope_Atom_Count	0
94317	TPSA	17.1
41043	Total_Formal_Charge	0
21711104	Structure_Complexity	92.4
75606	Molecular_Weight	103.08
560193	Covalent_Unit_Count	1
5311130	Total_Formal_Charge	0
11253	Hydrogen_Bond_Donor_Count	0
9797661	Hydrogen_Bond_Donor_Count	0
18616819	XLogP3-AA	1
28532	Isotope_Atom_Count	0
12592	Molecular_Weight	338.7
876172	TPSA	68
62238	Structure_Complexity	267
54392998	Isotope_Atom_Count	0
57394389	Defined_Bond_Stereo_Count	0
129885959	Structure_Complexity	1120
10909430	Defined_Bond_Stereo_Count	0
46937085	Isotope_Atom_Count	0
4118151	Defined_Atom_Stereo_Count	0
12867691	Hydrogen_Bond_Donor_Count	0
6453497	Rotatable_Bond_Count	1
11377	Structure_Complexity	136
20157043	Hydrogen_Bond_Donor_Count	1
402045	Structure_Complexity	719
9808	Undefined_Atom_Stereo_Count	0
517296	TPSA	404
6654	Non-hydrogen_Atom_Count	10
84063996	Hydrogen_Bond_Donor_Count	1
11263488	Undefined_Bond_Stereo_Count	0
44422866	Defined_Atom_Stereo_Count	6
10979337	Structure_Complexity	345
1450	Non-hydrogen_Atom_Count	28
14241402	Mono_Isotopic_Weight	114.079312947
129395999	Undefined_Bond_Stereo_Count	0
58323974	Undefined_Bond_Stereo_Count	0
24257	Rotatable_Bond_Count	6
10914	Hydrogen_Bond_Donor_Count	0
5102	Molecular_Weight	394.4
2736	Molecular_Weight	412.6
5484	Undefined_Atom_Stereo_Count	0
72149	Isotope_Atom_Count	0
33503	XLogP3-AA	5.3
7610	Mono_Isotopic_Weight	137.084063974
163988282	Rotatable_Bond_Count	1
543237	XLogP3-AA	1.5
11105655	Hydrogen_Bond_Donor_Count	0
23238238	Defined_Bond_Stereo_Count	0
11899	Defined_Bond_Stereo_Count	0
12476687	XLogP3-AA	0.4
12502857	Undefined_Atom_Stereo_Count	0
10176113	Hydrogen_Bond_Donor_Count	0
57131886	Covalent_Unit_Count	1
59792626	Structure_Complexity	19.2
39212	Rotatable_Bond_Count	9
3034372	Total_Formal_Charge	0
56842037	Total_Formal_Charge	0
4900	Rotatable_Bond_Count	2
15209693	Hydrogen_Bond_Acceptor_Count	3
12636246	Hydrogen_Bond_Acceptor_Count	2
240119	Defined_Atom_Stereo_Count	0
299643	TPSA	42
53708	Hydrogen_Bond_Donor_Count	2
161209	Undefined_Atom_Stereo_Count	1
104181	Hydrogen_Bond_Donor_Count	1
136510	Non-hydrogen_Atom_Count	8
95292	Tautomer_Count	9
4997	Molecular_Weight	247.33
66906036	Undefined_Bond_Stereo_Count	0
124202907	Undefined_Bond_Stereo_Count	0
10456134	Mono_Isotopic_Weight	444.25118886
551592	Undefined_Bond_Stereo_Count	0
2724054	Tautomer_Count	5
7855	Defined_Atom_Stereo_Count	0
12812295	TPSA	40.9
20784557	Undefined_Atom_Stereo_Count	0
130232326	Non-hydrogen_Atom_Count	38
70400351	Hydrogen_Bond_Acceptor_Count	2
68023710	Undefined_Atom_Stereo_Count	6
102601163	Structure_Complexity	541
22154890	Total_Formal_Charge	0
156156900	Defined_Bond_Stereo_Count	0
1206	XLogP3	2.1
2306	Rotatable_Bond_Count	6
45112562	Defined_Atom_Stereo_Count	0
4274588	TPSA	69.6
3000	Rotatable_Bond_Count	2
13659	Defined_Bond_Stereo_Count	0
163317	Hydrogen_Bond_Donor_Count	2
638340	Mono_Isotopic_Weight	303.14705815
71978	Total_Formal_Charge	0
570603	Exact_Mass	106.053098200
24451	Hydrogen_Bond_Donor_Count	2
79012	Tautomer_Count	1
58505	TPSA	86.9
70257	Defined_Bond_Stereo_Count	0
94176	Molecular_Weight	120.10
5314562	Exact_Mass	100.052429494
921599	Exact_Mass	229.121512110
12695916	TPSA	17.1
4274	Undefined_Bond_Stereo_Count	0
9913968	Hydrogen_Bond_Acceptor_Count	12
12434709	XLogP3-AA	1.1
4122814	Undefined_Atom_Stereo_Count	4
101977	Rotatable_Bond_Count	5
2472	Molecular_Weight	373.4
21835032	Defined_Atom_Stereo_Count	0
237413	Non-hydrogen_Atom_Count	12
32091	Undefined_Bond_Stereo_Count	0
10286159	Hydrogen_Bond_Donor_Count	2
6671	Non-hydrogen_Atom_Count	11
67375395	Mono_Isotopic_Weight	411.16952493
12305763	Hydrogen_Bond_Acceptor_Count	9
13426660	Isotope_Atom_Count	0
35330	Total_Formal_Charge	0
13982269	Undefined_Bond_Stereo_Count	0
129396765	Undefined_Atom_Stereo_Count	0
154081039	Hydrogen_Bond_Donor_Count	0
46782362	Hydrogen_Bond_Acceptor_Count	7
94154	Defined_Atom_Stereo_Count	2
117890905	Defined_Bond_Stereo_Count	0
658645	Hydrogen_Bond_Donor_Count	2
135297777	Structure_Complexity	733
45120354	Exact_Mass	114.068079557
3080818	Structure_Complexity	373
87491756	Non-hydrogen_Atom_Count	8
50962	Tautomer_Count	5
11164	Structure_Complexity	35.9
6327846	Defined_Atom_Stereo_Count	0
57452	TPSA	32.3
54434340	Undefined_Atom_Stereo_Count	0
3716971	Defined_Atom_Stereo_Count	0
153767626	Exact_Mass	112.052429494
66248	Exact_Mass	354.20691876
32416	Exact_Mass	418.99219805
135950975	Covalent_Unit_Count	1
48783	Defined_Bond_Stereo_Count	0
69160	Rotatable_Bond_Count	0
20607223	Undefined_Bond_Stereo_Count	0
1233	Defined_Bond_Stereo_Count	0
62530	Exact_Mass	206.167065321
47896	Exact_Mass	597.0568692
33311	Covalent_Unit_Count	1
67151	TPSA	46.9
5324	Rotatable_Bond_Count	2
4992	Hydrogen_Bond_Donor_Count	0
105166	Mono_Isotopic_Weight	194.964794
57484	Total_Formal_Charge	0
20782632	Mono_Isotopic_Weight	114.104465066
552549	Covalent_Unit_Count	1
15533288	Covalent_Unit_Count	1
129744665	Non-hydrogen_Atom_Count	8
10937610	Isotope_Atom_Count	0
31390	Defined_Atom_Stereo_Count	0
2175	Rotatable_Bond_Count	9
1377	Covalent_Unit_Count	1
137512	Total_Formal_Charge	0
18506434	Hydrogen_Bond_Donor_Count	2
18369938	Undefined_Bond_Stereo_Count	0
11961423	Exact_Mass	112.063662883
132846	Total_Formal_Charge	0
9098	Mono_Isotopic_Weight	172.09218630
344793	TPSA	38.7
44352968	Non-hydrogen_Atom_Count	23
2788	XLogP3	3.5
25683	Isotope_Atom_Count	0
88153938	Structure_Complexity	93.1
86213522	Defined_Atom_Stereo_Count	0
5460326	XLogP3-AA	2.3
53345582	TPSA	69.6
71081	XLogP3-AA	1
13087010	Mono_Isotopic_Weight	332.23514488
4631	Non-hydrogen_Atom_Count	19
3711576	Exact_Mass	293.17865558
46240	Undefined_Bond_Stereo_Count	0
112230	Hydrogen_Bond_Donor_Count	3
25023847	XLogP3-AA	3
11039	Mono_Isotopic_Weight	102.068079557
56678998	TPSA	89.4
6335499	Molecular_Weight	85.911167
29179	TPSA	9.2
6537498	Structure_Complexity	188
306211	Isotope_Atom_Count	0
71736	Hydrogen_Bond_Acceptor_Count	11
40761	Hydrogen_Bond_Acceptor_Count	1
72665	Covalent_Unit_Count	1
8982	Rotatable_Bond_Count	5
9800068	Covalent_Unit_Count	2
2484	TPSA	3.2
37723	Defined_Atom_Stereo_Count	35
4156	Mono_Isotopic_Weight	110.00376522
172306	Rotatable_Bond_Count	7
3033521	Total_Formal_Charge	0
5918	Undefined_Bond_Stereo_Count	0
16666638	Rotatable_Bond_Count	3
6419912	Defined_Atom_Stereo_Count	30
21798	Undefined_Atom_Stereo_Count	0
15284	Undefined_Bond_Stereo_Count	0
88490	Defined_Bond_Stereo_Count	0
13019	Defined_Atom_Stereo_Count	0
67448671	Molecular_Weight	235.28
44563327	Molecular_Weight	518.4
89422816	Hydrogen_Bond_Donor_Count	1
13008	Undefined_Atom_Stereo_Count	0
11189402	Isotope_Atom_Count	0
68156	Defined_Bond_Stereo_Count	0
2494	Covalent_Unit_Count	1
23681233	TPSA	89.5
97770	Molecular_Weight	115.17
12096001	Covalent_Unit_Count	1
4250936	XLogP3-AA	1
66692781	Undefined_Atom_Stereo_Count	0
90937445	Molecular_Weight	905.0
12590282	Hydrogen_Bond_Donor_Count	0
91482	Isotope_Atom_Count	0
8551	Rotatable_Bond_Count	1
23729877	Defined_Bond_Stereo_Count	0
15116	TPSA	45.3
133562785	Defined_Atom_Stereo_Count	22
13351	Undefined_Bond_Stereo_Count	0
86620451	Undefined_Atom_Stereo_Count	0
71094775	Hydrogen_Bond_Donor_Count	8
23674215	Hydrogen_Bond_Donor_Count	1
6356	Mono_Isotopic_Weight	68.0045147
11304	Total_Formal_Charge	0
7192	Rotatable_Bond_Count	2
1549109	Rotatable_Bond_Count	7
154342062	Undefined_Atom_Stereo_Count	2
7845	Mono_Isotopic_Weight	54.0469501914
162349	Rotatable_Bond_Count	6
5826113	Isotope_Atom_Count	0
15038	Isotope_Atom_Count	0
43601	Undefined_Atom_Stereo_Count	0
4866	Covalent_Unit_Count	1
5328793	Tautomer_Count	16
11508600	Hydrogen_Bond_Donor_Count	3
4993182	Hydrogen_Bond_Donor_Count	3
9877608	Total_Formal_Charge	0
57869404	Defined_Atom_Stereo_Count	0
207292	Undefined_Bond_Stereo_Count	0
3086514	Tautomer_Count	1
146019693	Mono_Isotopic_Weight	757.007251
52944535	Molecular_Weight	414.9
98026	Defined_Atom_Stereo_Count	0
18290	Rotatable_Bond_Count	2
6432418	Non-hydrogen_Atom_Count	3
108018	Defined_Bond_Stereo_Count	0
8819	Hydrogen_Bond_Acceptor_Count	6
3865578	Structure_Complexity	178
53893636	Isotope_Atom_Count	0
5242433	Covalent_Unit_Count	1
5318537	Total_Formal_Charge	0
11113597	Hydrogen_Bond_Acceptor_Count	15
13031981	Covalent_Unit_Count	1
3083	Non-hydrogen_Atom_Count	37
5284631	Undefined_Bond_Stereo_Count	0
137895	Covalent_Unit_Count	1
15951505	Non-hydrogen_Atom_Count	39
28280	Structure_Complexity	246
53378550	Undefined_Atom_Stereo_Count	0
16719	Total_Formal_Charge	0
10654175	TPSA	44
38017	XLogP3	7
10043211	Total_Formal_Charge	0
2155	Hydrogen_Bond_Donor_Count	1
12336279	Hydrogen_Bond_Donor_Count	1
20542700	Structure_Complexity	112
18755330	Exact_Mass	102.068079557
18373078	Molecular_Weight	97.07
67821	Total_Formal_Charge	0
146018879	Non-hydrogen_Atom_Count	44
24848382	Undefined_Atom_Stereo_Count	0
122173799	XLogP3-AA	2.5
23557886	Total_Formal_Charge	0
10214	Undefined_Bond_Stereo_Count	0
4479912	Hydrogen_Bond_Acceptor_Count	13
1249	Undefined_Atom_Stereo_Count	2
10018576	Mono_Isotopic_Weight	315.13313942
12695	Covalent_Unit_Count	1
141343693	Covalent_Unit_Count	1
151092	Covalent_Unit_Count	1
1548900	Covalent_Unit_Count	1
140152869	Undefined_Bond_Stereo_Count	1
456204	XLogP3-AA	1.9
65157	Structure_Complexity	739
6918029	Covalent_Unit_Count	2
121489236	Defined_Bond_Stereo_Count	0
23270355	Undefined_Atom_Stereo_Count	0
30006	Isotope_Atom_Count	0
19599071	Undefined_Atom_Stereo_Count	0
59703148	Non-hydrogen_Atom_Count	8
9823293	Isotope_Atom_Count	0
6857536	Hydrogen_Bond_Donor_Count	0
68846	Undefined_Atom_Stereo_Count	0
58840878	Rotatable_Bond_Count	1
4617	Undefined_Bond_Stereo_Count	0
2296	XLogP3	4.2
628397	Non-hydrogen_Atom_Count	21
59827440	Structure_Complexity	403
6326719	Defined_Atom_Stereo_Count	5
44295739	Undefined_Atom_Stereo_Count	0
90685529	TPSA	23.8
28561	Defined_Atom_Stereo_Count	0
12406682	Hydrogen_Bond_Acceptor_Count	1
16737690	Exact_Mass	646.18213833
44629543	Covalent_Unit_Count	1
423438	Isotope_Atom_Count	0
38988322	Total_Formal_Charge	0
10100083	Molecular_Weight	598.8
2755260	Exact_Mass	270.104465066
48362	Covalent_Unit_Count	1
162342152	Non-hydrogen_Atom_Count	8
134669	Exact_Mass	179.06161445
41114	Molecular_Weight	516.0
6623	Mono_Isotopic_Weight	228.115029749
19375416	Undefined_Atom_Stereo_Count	2
137704806	Mono_Isotopic_Weight	627.23157562
13003788	TPSA	20.2
15938972	Structure_Complexity	1270
9305	Isotope_Atom_Count	0
11673	Structure_Complexity	85.4
18175	XLogP3-AA	2
62398693	Total_Formal_Charge	0
408770	TPSA	74.7
36274	Isotope_Atom_Count	0
7474	Exact_Mass	156.9930561
6433620	Mono_Isotopic_Weight	388.215078140
20277173	Undefined_Atom_Stereo_Count	0
168088	Structure_Complexity	442
129676242	Defined_Atom_Stereo_Count	0
71355988	Mono_Isotopic_Weight	110.073164938
11170867	Tautomer_Count	1000
20132002	Covalent_Unit_Count	1
144247394	Mono_Isotopic_Weight	99.068413911
9985155	Hydrogen_Bond_Donor_Count	0
13758360	XLogP3-AA	0.9
69605	Defined_Atom_Stereo_Count	0
5312153	Exact_Mass	465.18212350
148350	Hydrogen_Bond_Donor_Count	0
38881	Total_Formal_Charge	0
3081349	Defined_Atom_Stereo_Count	0
133662561	Molecular_Weight	182.14
701741	Exact_Mass	274.13174244
93147	Hydrogen_Bond_Acceptor_Count	2
589615	Hydrogen_Bond_Donor_Count	0
59174488	Hydrogen_Bond_Donor_Count	3
55289700	Molecular_Weight	114.15
520326	Tautomer_Count	1
64113	Mono_Isotopic_Weight	541.2496051
10483134	Undefined_Atom_Stereo_Count	0
44548149	Undefined_Bond_Stereo_Count	0
83967	Defined_Atom_Stereo_Count	1
59968312	Hydrogen_Bond_Donor_Count	0
21934012	Structure_Complexity	335
23704143	Tautomer_Count	4
145945090	Covalent_Unit_Count	5
439352	TPSA	42.5
44521016	Defined_Atom_Stereo_Count	0
53424628	Mono_Isotopic_Weight	110.048012819
19309	Total_Formal_Charge	0
629965	Defined_Atom_Stereo_Count	0
145946920	TPSA	224
101605498	Non-hydrogen_Atom_Count	44
13979010	Hydrogen_Bond_Donor_Count	1
44395101	Covalent_Unit_Count	1
54676715	Rotatable_Bond_Count	9
54582822	Undefined_Bond_Stereo_Count	0
3566770	Structure_Complexity	54.3
20565024	Undefined_Atom_Stereo_Count	0
5311498	Covalent_Unit_Count	3
12358373	XLogP3-AA	0.9
36231	TPSA	0
409438	Non-hydrogen_Atom_Count	12
6881	XLogP3	4
20470622	Structure_Complexity	145
135538685	TPSA	106
68986097	Mono_Isotopic_Weight	766.33349644
179547	Molecular_Weight	144.09
6918123	Molecular_Weight	331.15
776222	Total_Formal_Charge	0
8482	Mono_Isotopic_Weight	214.04121336
522266	Undefined_Atom_Stereo_Count	5
20339874	Defined_Bond_Stereo_Count	0
9927058	Undefined_Bond_Stereo_Count	0
16183	Non-hydrogen_Atom_Count	11
270010	Mono_Isotopic_Weight	162.02516937
69705	Tautomer_Count	1
221071	Defined_Bond_Stereo_Count	0
16180	Structure_Complexity	189
66072	Undefined_Atom_Stereo_Count	0
2734672	Rotatable_Bond_Count	1
11758093	Defined_Bond_Stereo_Count	0
13224	Defined_Atom_Stereo_Count	0
72388	Covalent_Unit_Count	1
23182368	Molecular_Weight	100.08
10737	Rotatable_Bond_Count	3
27145	Molecular_Weight	264.36
14833	Molecular_Weight	159.69
3696	Molecular_Weight	280.4
154489025	Structure_Complexity	119
6442928	Defined_Bond_Stereo_Count	2
11416126	Structure_Complexity	391
22678982	Structure_Complexity	365
65240	Molecular_Weight	569.6
183811	TPSA	138
31247	TPSA	26.3
1820	Hydrogen_Bond_Acceptor_Count	3
817	Structure_Complexity	252
13871872	Structure_Complexity	113
13391464	Exact_Mass	229.06987046
166653	Undefined_Atom_Stereo_Count	0
134694981	Undefined_Bond_Stereo_Count	1
24866515	Exact_Mass	471.1361121
66602	Undefined_Bond_Stereo_Count	0
28037	Molecular_Weight	266.3
53752	Total_Formal_Charge	0
135424354	Tautomer_Count	17
472202	Exact_Mass	268.11715500
447905	Non-hydrogen_Atom_Count	41
10201696	Undefined_Bond_Stereo_Count	0
87898	TPSA	125
24180717	Mono_Isotopic_Weight	412.17869263
3003791	Hydrogen_Bond_Acceptor_Count	2
16008685	XLogP3-AA	2.7
21895922	Rotatable_Bond_Count	0
4510	Undefined_Bond_Stereo_Count	0
95542	XLogP3-AA	2.2
11126188	Isotope_Atom_Count	0
138122	Covalent_Unit_Count	1
21127119	TPSA	53.2
46418	Exact_Mass	211.0530695
5407	Defined_Bond_Stereo_Count	0
11971580	Defined_Atom_Stereo_Count	0
60195904	TPSA	89
694876	Undefined_Bond_Stereo_Count	0
57401683	Defined_Bond_Stereo_Count	0
53885557	Rotatable_Bond_Count	2
11434915	Total_Formal_Charge	0
19791624	Exact_Mass	98.048012819
5364901	Defined_Bond_Stereo_Count	0
24848341	Hydrogen_Bond_Acceptor_Count	2
78962	Isotope_Atom_Count	0
85909569	Defined_Bond_Stereo_Count	0
5224	Mono_Isotopic_Weight	447.26929854
125702	Undefined_Bond_Stereo_Count	0
11354606	Covalent_Unit_Count	1
70691270	Undefined_Bond_Stereo_Count	0
10452732	XLogP3-AA	1.1
20696068	Molecular_Weight	102.18
119082413	Isotope_Atom_Count	0
9844194	Isotope_Atom_Count	0
9548637	Defined_Bond_Stereo_Count	1
27422	Defined_Atom_Stereo_Count	0
177120	Covalent_Unit_Count	1
18393	Covalent_Unit_Count	1
71441408	Undefined_Atom_Stereo_Count	1
83478501	Exact_Mass	101.084063974
74615	Molecular_Weight	100.12
715513	XLogP3-AA	4.4
11383075	Hydrogen_Bond_Acceptor_Count	6
1489495	TPSA	63.6
47824	Defined_Atom_Stereo_Count	0
59082722	Structure_Complexity	161
133268468	Exact_Mass	419.34787550
71451390	Isotope_Atom_Count	0
130608736	Rotatable_Bond_Count	0
9474	Structure_Complexity	90.3
22016574	Mono_Isotopic_Weight	99.068413911
163050678	Defined_Atom_Stereo_Count	8
6537201	Hydrogen_Bond_Donor_Count	1
54708748	XLogP3-AA	3.1
19918535	Molecular_Weight	97.12
64074	Exact_Mass	588.89519
785	Hydrogen_Bond_Acceptor_Count	2
142243302	Hydrogen_Bond_Acceptor_Count	4
21019405	Non-hydrogen_Atom_Count	8
7077	Defined_Bond_Stereo_Count	0
754780	Defined_Atom_Stereo_Count	0
10564696	Defined_Bond_Stereo_Count	0
11291	Non-hydrogen_Atom_Count	20
135598760	Molecular_Weight	254.08
54296709	Structure_Complexity	134
14671573	Structure_Complexity	70.8
121734	XLogP3-AA	2.3
8908	Defined_Bond_Stereo_Count	0
23677963	Covalent_Unit_Count	2
10758	Tautomer_Count	1
433604	Structure_Complexity	142
71916	Hydrogen_Bond_Acceptor_Count	4
21751982	Molecular_Weight	117.15
101815863	Hydrogen_Bond_Donor_Count	2
20055414	Defined_Atom_Stereo_Count	2
9570076	Molecular_Weight	290.19
10379	Mono_Isotopic_Weight	199.063328530
969462	Isotope_Atom_Count	0
10236037	Tautomer_Count	1
49800054	Mono_Isotopic_Weight	324.14739250
57394708	Undefined_Bond_Stereo_Count	0
298391	Undefined_Bond_Stereo_Count	0
71844	Defined_Bond_Stereo_Count	0
11443	Mono_Isotopic_Weight	174.042927438
70995	Tautomer_Count	1
18355900	Hydrogen_Bond_Donor_Count	0
534439	TPSA	9.2
71837	Tautomer_Count	2
730093	Rotatable_Bond_Count	1
6539297	Hydrogen_Bond_Acceptor_Count	8
91746625	Mono_Isotopic_Weight	386.264106985
90427261	Non-hydrogen_Atom_Count	8
57336523	Tautomer_Count	48
60156	Non-hydrogen_Atom_Count	20
826479	Isotope_Atom_Count	0
90993	Undefined_Bond_Stereo_Count	0
141429324	Rotatable_Bond_Count	0
13610	Undefined_Bond_Stereo_Count	0
11541153	TPSA	170
199539	Defined_Bond_Stereo_Count	0
5486806	Hydrogen_Bond_Acceptor_Count	9
23706211	Defined_Bond_Stereo_Count	0
75755	Structure_Complexity	78.7
637520	Defined_Bond_Stereo_Count	1
72032	Undefined_Bond_Stereo_Count	0
520381	Exact_Mass	206.203450829
123868	Total_Formal_Charge	0
15190665	Rotatable_Bond_Count	0
12367843	Rotatable_Bond_Count	0
76228	Molecular_Weight	149.19
25232708	Exact_Mass	505.1451573
53595	TPSA	160
16329	Defined_Atom_Stereo_Count	0
179697	Isotope_Atom_Count	0
54255838	Total_Formal_Charge	0
644077	Undefined_Bond_Stereo_Count	0
101916	Rotatable_Bond_Count	0
89445694	XLogP3-AA	0.4
2577	Molecular_Weight	257.26
126737575	Hydrogen_Bond_Acceptor_Count	2
11285588	XLogP3-AA	3.3
853490	Exact_Mass	301.0618043
94973	Total_Formal_Charge	0
12546243	Non-hydrogen_Atom_Count	6
24878	Hydrogen_Bond_Acceptor_Count	2
12500939	Undefined_Atom_Stereo_Count	2
76609483	TPSA	41.8
18424759	Undefined_Atom_Stereo_Count	0
11593706	Undefined_Bond_Stereo_Count	0
90472752	Exact_Mass	181.06674293
10887840	Hydrogen_Bond_Donor_Count	1
447407	Non-hydrogen_Atom_Count	16
58385	Rotatable_Bond_Count	9
60810	Structure_Complexity	650
65275	Exact_Mass	165.06505986
699	Defined_Atom_Stereo_Count	0
10465263	Total_Formal_Charge	0
6317	Defined_Bond_Stereo_Count	0
10171348	Defined_Atom_Stereo_Count	0
503737	Undefined_Bond_Stereo_Count	0
70751	Molecular_Weight	141.13
164106781	Total_Formal_Charge	0
33112	Mono_Isotopic_Weight	224.1291556
33929	Covalent_Unit_Count	1
5377323	Rotatable_Bond_Count	3
16732168	Structure_Complexity	774
7368	Hydrogen_Bond_Acceptor_Count	3
139592645	Exact_Mass	298.04773803
142059572	Defined_Bond_Stereo_Count	0
15981895	Isotope_Atom_Count	0
136838	XLogP3-AA	3
5513	Non-hydrogen_Atom_Count	72
1951	XLogP3	4.5
68909	Molecular_Weight	367.3
6051	TPSA	50.7
9903930	XLogP3-AA	2.1
16073666	Molecular_Weight	650.8
45116667	XLogP3-AA	0.4
141478347	Rotatable_Bond_Count	1
7460	Tautomer_Count	1
7413	Hydrogen_Bond_Acceptor_Count	2
5094381	Mono_Isotopic_Weight	112.063662883
42761	XLogP3	3.7
13651872	Hydrogen_Bond_Acceptor_Count	2
39468	TPSA	58.6
88564905	Hydrogen_Bond_Donor_Count	2
7026090	Molecular_Weight	110.11
9231	XLogP3	3.2
15130831	Covalent_Unit_Count	1
6436138	Hydrogen_Bond_Donor_Count	3
12397138	Rotatable_Bond_Count	0
12268623	TPSA	39.6
11048104	Structure_Complexity	467
13349554	Molecular_Weight	110.20
6951525	Structure_Complexity	55.1
5289205	Defined_Atom_Stereo_Count	5
2724144	Structure_Complexity	10
138125	Defined_Atom_Stereo_Count	0
1319	Defined_Atom_Stereo_Count	0
105010	Undefined_Bond_Stereo_Count	0
225936	Hydrogen_Bond_Acceptor_Count	2
12329	Defined_Bond_Stereo_Count	0
27979	Total_Formal_Charge	0
16687131	Mono_Isotopic_Weight	110.109550447
46233311	Rotatable_Bond_Count	8
21041051	Covalent_Unit_Count	1
168299	Covalent_Unit_Count	3
135445165	Defined_Atom_Stereo_Count	0
9884439	Defined_Atom_Stereo_Count	10
12095226	Non-hydrogen_Atom_Count	23
15123310	Hydrogen_Bond_Acceptor_Count	3
588151	Tautomer_Count	2
20553	Structure_Complexity	70.9
18504387	Isotope_Atom_Count	0
694856	Rotatable_Bond_Count	1
73185506	TPSA	9.2
2801	Non-hydrogen_Atom_Count	22
40771	Rotatable_Bond_Count	6
164511668	Undefined_Atom_Stereo_Count	0
135476784	Undefined_Atom_Stereo_Count	3
25271860	Structure_Complexity	337
3385	Mono_Isotopic_Weight	130.01785550
2723730	TPSA	72.6
86811394	Mono_Isotopic_Weight	373.97117
56846240	TPSA	290
30373	Rotatable_Bond_Count	5
57403867	Hydrogen_Bond_Acceptor_Count	10
21655019	Rotatable_Bond_Count	0
51039030	Tautomer_Count	6
5353830	Hydrogen_Bond_Acceptor_Count	6
14222	Hydrogen_Bond_Donor_Count	0
87716431	Rotatable_Bond_Count	16
23018825	Rotatable_Bond_Count	1
87468122	Rotatable_Bond_Count	3
46936967	Mono_Isotopic_Weight	359.966246
19665	Rotatable_Bond_Count	7
77956	Tautomer_Count	1
54152819	Molecular_Weight	109.09
135659024	Hydrogen_Bond_Acceptor_Count	15
10979337	Non-hydrogen_Atom_Count	22
551630	Undefined_Atom_Stereo_Count	1
12047567	Exact_Mass	1150.44734
12754038	Structure_Complexity	111
52945780	Undefined_Bond_Stereo_Count	0
2723872	Hydrogen_Bond_Acceptor_Count	6
25137956	Covalent_Unit_Count	1
44589090	Undefined_Bond_Stereo_Count	0
15942716	Undefined_Atom_Stereo_Count	0
285106	Undefined_Bond_Stereo_Count	0
65825	TPSA	6.5
5284585	Hydrogen_Bond_Acceptor_Count	5
14677	Exact_Mass	296.13471982
60172	Structure_Complexity	327
12604	Non-hydrogen_Atom_Count	26
82507	Hydrogen_Bond_Donor_Count	0
22203	Exact_Mass	324.14739250
49654	Hydrogen_Bond_Acceptor_Count	2
6917663	Covalent_Unit_Count	1
443984	Non-hydrogen_Atom_Count	29
104805	Isotope_Atom_Count	0
2435	Undefined_Bond_Stereo_Count	0
58801077	Undefined_Bond_Stereo_Count	0
34719	TPSA	29.5
83572	Non-hydrogen_Atom_Count	8
286827	Defined_Atom_Stereo_Count	0
75982	Structure_Complexity	28.9
398731	Covalent_Unit_Count	1
5374	Non-hydrogen_Atom_Count	14
310360	TPSA	110
548945	Hydrogen_Bond_Donor_Count	0
163872486	Defined_Atom_Stereo_Count	11
34127	Isotope_Atom_Count	0
144459	Total_Formal_Charge	0
55284719	Undefined_Atom_Stereo_Count	1
81531	Rotatable_Bond_Count	3
11656753	Hydrogen_Bond_Donor_Count	2
6273	Molecular_Weight	226.23
398727	Molecular_Weight	264.37
64085466	Hydrogen_Bond_Acceptor_Count	1
219608	Defined_Atom_Stereo_Count	0
23691996	Tautomer_Count	1
2999413	Non-hydrogen_Atom_Count	23
8499	Undefined_Bond_Stereo_Count	0
440728	Undefined_Bond_Stereo_Count	0
45267632	Hydrogen_Bond_Donor_Count	2
44429	Defined_Bond_Stereo_Count	0
24900942	Structure_Complexity	656
53796209	Defined_Bond_Stereo_Count	0
72493	XLogP3-AA	2.6
68576	Structure_Complexity	645
14453685	Undefined_Atom_Stereo_Count	2
56841019	Hydrogen_Bond_Acceptor_Count	3
101001463	Isotope_Atom_Count	6
44631912	Molecular_Weight	434.5
102428	Rotatable_Bond_Count	4
361739	TPSA	34.1
58513815	Defined_Atom_Stereo_Count	0
78138	Non-hydrogen_Atom_Count	15
59665343	Isotope_Atom_Count	0
14257662	Hydrogen_Bond_Donor_Count	12
2713	Hydrogen_Bond_Acceptor_Count	2
25654	TPSA	131
138621	Total_Formal_Charge	0
9930448	Defined_Bond_Stereo_Count	0
445	Defined_Atom_Stereo_Count	0
138107	Rotatable_Bond_Count	0
24654	Total_Formal_Charge	0
155290	Undefined_Bond_Stereo_Count	0
248	Isotope_Atom_Count	0
60155274	XLogP3-AA	1.8
23533306	Structure_Complexity	773
10072851	Rotatable_Bond_Count	5
9708	Covalent_Unit_Count	1
148241675	Isotope_Atom_Count	0
4108	Covalent_Unit_Count	1
17992338	Mono_Isotopic_Weight	100.063662883
15	Mono_Isotopic_Weight	290.224580195
71433469	Rotatable_Bond_Count	0
23947600	Non-hydrogen_Atom_Count	64
67409138	Defined_Bond_Stereo_Count	0
68108	Defined_Bond_Stereo_Count	0
160538	Rotatable_Bond_Count	4
53318420	Mono_Isotopic_Weight	434.11227030
10414810	Non-hydrogen_Atom_Count	37
11412863	Defined_Bond_Stereo_Count	0
2674	TPSA	152
39902	Hydrogen_Bond_Acceptor_Count	2
83390	Exact_Mass	111.104799419
2895	Undefined_Bond_Stereo_Count	0
21162821	Undefined_Bond_Stereo_Count	0
4420	Hydrogen_Bond_Acceptor_Count	4
84986	Isotope_Atom_Count	0
129211	Undefined_Atom_Stereo_Count	0
16050641	Covalent_Unit_Count	1
99474	TPSA	38.7
91465979	Isotope_Atom_Count	0
75674	Defined_Atom_Stereo_Count	0
11344002	Defined_Atom_Stereo_Count	0
10197656	Hydrogen_Bond_Acceptor_Count	3
5354284	Undefined_Bond_Stereo_Count	0
408	Undefined_Atom_Stereo_Count	1
18726560	Isotope_Atom_Count	0
11228026	Undefined_Atom_Stereo_Count	0
10471931	Structure_Complexity	530
131954763	Structure_Complexity	494
10930	Exact_Mass	101.084063974
5514	Rotatable_Bond_Count	3
13158	Molecular_Weight	339
307877	Defined_Atom_Stereo_Count	0
9813985	Total_Formal_Charge	0
2285	Undefined_Bond_Stereo_Count	0
19283	Non-hydrogen_Atom_Count	34
6950353	Defined_Atom_Stereo_Count	1
10343454	Non-hydrogen_Atom_Count	30
417753	Non-hydrogen_Atom_Count	32
84647707	Structure_Complexity	103
12510	Tautomer_Count	1
529268	Defined_Bond_Stereo_Count	0
124224930	Undefined_Bond_Stereo_Count	0
72207351	Non-hydrogen_Atom_Count	7
6770	Total_Formal_Charge	0
68678	Rotatable_Bond_Count	3
154247752	Structure_Complexity	32.9
68022407	Undefined_Bond_Stereo_Count	0
46911863	Undefined_Atom_Stereo_Count	0
20324725	Undefined_Bond_Stereo_Count	0
1551246	Isotope_Atom_Count	0
13083763	XLogP3-AA	1.4
34481	Mono_Isotopic_Weight	292.08479225
5460263	TPSA	66.2
121267708	Covalent_Unit_Count	1
162642814	Exact_Mass	192.13870905
650960	Mono_Isotopic_Weight	458.24302422
11247	Covalent_Unit_Count	2
70308	XLogP3	3
24763202	Undefined_Atom_Stereo_Count	0
5491930	Covalent_Unit_Count	1
44630107	Hydrogen_Bond_Acceptor_Count	1
44404716	Hydrogen_Bond_Donor_Count	0
444097	Exact_Mass	616.177291
26010	Structure_Complexity	8
11480417	XLogP3-AA	0.5
25113190	Molecular_Weight	763.5
23603	Hydrogen_Bond_Donor_Count	1
60195811	Structure_Complexity	449
15289	Undefined_Atom_Stereo_Count	1
19859	Non-hydrogen_Atom_Count	9
67669	Hydrogen_Bond_Donor_Count	0
11073348	Isotope_Atom_Count	0
5372879	TPSA	55
533707	Total_Formal_Charge	0
447076	Hydrogen_Bond_Donor_Count	2
75357	Hydrogen_Bond_Acceptor_Count	4
198790	Mono_Isotopic_Weight	371.94327
9547096	Rotatable_Bond_Count	44
12358970	XLogP3	2.4
528	Rotatable_Bond_Count	5
3437285	Defined_Atom_Stereo_Count	0
103333	Covalent_Unit_Count	1
89055	Isotope_Atom_Count	0
36082	Hydrogen_Bond_Acceptor_Count	1
57396473	Undefined_Atom_Stereo_Count	0
72187569	Covalent_Unit_Count	1
1899	Structure_Complexity	396
3722461	Total_Formal_Charge	0
13570060	Covalent_Unit_Count	1
5324720	Undefined_Atom_Stereo_Count	0
11049	Isotope_Atom_Count	0
54239389	Undefined_Atom_Stereo_Count	0
9841	Molecular_Weight	120.12
123168	Structure_Complexity	51.3
279	Undefined_Atom_Stereo_Count	1
135398508	Tautomer_Count	9
23617863	Covalent_Unit_Count	1
14057	Structure_Complexity	89.2
23158108	Structure_Complexity	51.9
86287519	Defined_Bond_Stereo_Count	1
5448	Structure_Complexity	143
60196371	Covalent_Unit_Count	1
66359	Undefined_Atom_Stereo_Count	0
5515	Mono_Isotopic_Weight	421.16377084
59961798	XLogP3-AA	3
15877745	Defined_Atom_Stereo_Count	0
46174453	Undefined_Atom_Stereo_Count	0
24825264	Total_Formal_Charge	0
44123551	Hydrogen_Bond_Donor_Count	2
5364495	Undefined_Atom_Stereo_Count	0
78328	Hydrogen_Bond_Acceptor_Count	3
44457029	TPSA	73.2
46878477	Structure_Complexity	395
542172	Defined_Atom_Stereo_Count	0
20083	Defined_Atom_Stereo_Count	0
123779724	Mono_Isotopic_Weight	112.088815002
14378821	Exact_Mass	100.052429494
53393583	Hydrogen_Bond_Acceptor_Count	0
153816117	Isotope_Atom_Count	0
21578704	Rotatable_Bond_Count	4
41088	XLogP3-AA	1
49288	Mono_Isotopic_Weight	258.10381361
5280450	Molecular_Weight	280.4
9903944	Defined_Atom_Stereo_Count	0
908	Covalent_Unit_Count	1
27648	Defined_Atom_Stereo_Count	0
12302693	Mono_Isotopic_Weight	342.11621151
158032	Undefined_Bond_Stereo_Count	0
5459845	Structure_Complexity	191
66828839	Hydrogen_Bond_Donor_Count	3
44410953	Structure_Complexity	617
45380694	Non-hydrogen_Atom_Count	34
6437392	Covalent_Unit_Count	1
969014	TPSA	114
70724	Hydrogen_Bond_Acceptor_Count	1
154256	Tautomer_Count	15
57558295	TPSA	12.2
2999	Defined_Bond_Stereo_Count	0
12337	Hydrogen_Bond_Acceptor_Count	0
5543	Non-hydrogen_Atom_Count	16
11294	Undefined_Atom_Stereo_Count	0
131451243	Hydrogen_Bond_Donor_Count	1
12397138	Exact_Mass	98.073164938
7343	Exact_Mass	114.068079557
6917674	Covalent_Unit_Count	1
12382883	Total_Formal_Charge	0
148201	Mono_Isotopic_Weight	646.27913494
31140	Mono_Isotopic_Weight	126.104465066
5283078	Defined_Atom_Stereo_Count	5
90736069	Total_Formal_Charge	0
667476	Isotope_Atom_Count	0
44916	Mono_Isotopic_Weight	243.1753775
91302186	Rotatable_Bond_Count	0
17961316	Hydrogen_Bond_Acceptor_Count	2
70390	TPSA	41.1
637531	Molecular_Weight	196.29
22591521	Hydrogen_Bond_Acceptor_Count	3
69362	Hydrogen_Bond_Donor_Count	2
88890027	Total_Formal_Charge	0
87659838	Defined_Atom_Stereo_Count	0
95259	Defined_Bond_Stereo_Count	0
12282	Rotatable_Bond_Count	0
21658180	Total_Formal_Charge	0
135398748	Hydrogen_Bond_Acceptor_Count	5
15983966	Molecular_Weight	543.6
45356872	Defined_Bond_Stereo_Count	0
57148	Hydrogen_Bond_Acceptor_Count	6
67435079	Defined_Bond_Stereo_Count	0
89220373	Exact_Mass	1201.84136802
500979	Undefined_Atom_Stereo_Count	1
62882	Defined_Atom_Stereo_Count	0
704328	Molecular_Weight	340.5
64017	Structure_Complexity	412
2723613	Isotope_Atom_Count	0
4091	Covalent_Unit_Count	1
13635	Covalent_Unit_Count	1
56835143	Defined_Bond_Stereo_Count	0
572	Total_Formal_Charge	0
139338	Defined_Bond_Stereo_Count	0
23662389	Undefined_Atom_Stereo_Count	0
129816	Mono_Isotopic_Weight	387.14705815
66970	Covalent_Unit_Count	1
423438	Covalent_Unit_Count	2
10986146	Molecular_Weight	38.024
643587	Defined_Bond_Stereo_Count	0
73813	Rotatable_Bond_Count	0
155713	Total_Formal_Charge	0
453131	Exact_Mass	343.14197277
22160808	Rotatable_Bond_Count	2
13973072	Covalent_Unit_Count	1
5460284	Molecular_Weight	148.07
68736	Hydrogen_Bond_Donor_Count	4
267493	Covalent_Unit_Count	1
11194318	Mono_Isotopic_Weight	116.083729621
4871804	Defined_Atom_Stereo_Count	0
70255	Defined_Bond_Stereo_Count	0
21766867	Hydrogen_Bond_Donor_Count	0
36283	Undefined_Bond_Stereo_Count	0
7522	Hydrogen_Bond_Donor_Count	0
400182	Structure_Complexity	1330
71623221	Undefined_Bond_Stereo_Count	0
57486971	Exact_Mass	109.089149355
3675	Hydrogen_Bond_Acceptor_Count	2
11727234	Undefined_Atom_Stereo_Count	0
5702011	Exact_Mass	405.16099414
24965990	Structure_Complexity	664
123298319	Non-hydrogen_Atom_Count	7
23599502	Mono_Isotopic_Weight	312.12963444
94811	Undefined_Bond_Stereo_Count	0
14690973	TPSA	26.3
21574	Undefined_Bond_Stereo_Count	0
160368576	Defined_Atom_Stereo_Count	0
37541	Mono_Isotopic_Weight	332.07726208
8901	Molecular_Weight	96.13
221227	Covalent_Unit_Count	1
582708	Defined_Bond_Stereo_Count	0
1214	Tautomer_Count	2
66874662	Rotatable_Bond_Count	0
2783176	Mono_Isotopic_Weight	115.02335542
11291932	Molecular_Weight	380.4
346327	Covalent_Unit_Count	1
11934	Isotope_Atom_Count	0
587128	Structure_Complexity	145
5462311	Hydrogen_Bond_Donor_Count	0
14580	Defined_Atom_Stereo_Count	0
5222465	Total_Formal_Charge	0
7771	Tautomer_Count	3
71304	Isotope_Atom_Count	0
21823	Exact_Mass	217.110278721
142186967	Mono_Isotopic_Weight	416.32904526
3086637	Hydrogen_Bond_Acceptor_Count	10
44154280	Structure_Complexity	587
9474	Defined_Bond_Stereo_Count	0
8024	Covalent_Unit_Count	1
846	Isotope_Atom_Count	0
43184	Structure_Complexity	190
139283	Rotatable_Bond_Count	0
411817	Undefined_Bond_Stereo_Count	0
51683	Isotope_Atom_Count	0
89789591	Exact_Mass	100.063662883
132469488	Undefined_Atom_Stereo_Count	9
75355757	Isotope_Atom_Count	0
842	Molecular_Weight	250.27
673	TPSA	40.5
5281068	Rotatable_Bond_Count	7
4825	Undefined_Atom_Stereo_Count	0
91177201	Total_Formal_Charge	0
57215030	Hydrogen_Bond_Acceptor_Count	1
67639	Hydrogen_Bond_Donor_Count	1
20713453	Structure_Complexity	118
59021	TPSA	107
8948	Non-hydrogen_Atom_Count	5
9690105	Rotatable_Bond_Count	8
1855	Non-hydrogen_Atom_Count	15
65955	Tautomer_Count	6
102131130	Covalent_Unit_Count	1
102334657	Non-hydrogen_Atom_Count	33
143403310	Covalent_Unit_Count	1
124298532	Undefined_Atom_Stereo_Count	0
7143	Hydrogen_Bond_Donor_Count	1
19073515	Undefined_Bond_Stereo_Count	0
13313	Rotatable_Bond_Count	1
16767284	XLogP3-AA	1
2002	Structure_Complexity	332
76171	Hydrogen_Bond_Donor_Count	1
12787245	Non-hydrogen_Atom_Count	7
16219856	TPSA	138
94570	Molecular_Weight	215.00
5195	Undefined_Atom_Stereo_Count	1
5363355	Defined_Atom_Stereo_Count	0
54066875	Structure_Complexity	110
644169	Tautomer_Count	3
18950	Tautomer_Count	1
11319223	Structure_Complexity	691
9445	Structure_Complexity	186
24096961	Defined_Bond_Stereo_Count	0
86147436	TPSA	29.1
72679314	Molecular_Weight	378.5
23284	Non-hydrogen_Atom_Count	20
60196378	Undefined_Bond_Stereo_Count	0
87653	Molecular_Weight	128.20
74236	Mono_Isotopic_Weight	321.20311
23662403	Exact_Mass	348.17351024
21584057	Defined_Atom_Stereo_Count	0
145994872	Covalent_Unit_Count	2
197	Defined_Bond_Stereo_Count	0
86322	Total_Formal_Charge	0
17904790	Rotatable_Bond_Count	1
75674	Mono_Isotopic_Weight	271.09356
67570	Total_Formal_Charge	0
96402	Hydrogen_Bond_Acceptor_Count	0
90427261	Undefined_Atom_Stereo_Count	1
941915	Covalent_Unit_Count	1
10403199	Covalent_Unit_Count	1
2608576	Total_Formal_Charge	0
6426740	Defined_Atom_Stereo_Count	3
70390	Structure_Complexity	277
53325875	Mono_Isotopic_Weight	412.0606145
145813	Defined_Bond_Stereo_Count	0
20933	Covalent_Unit_Count	3
8588	Non-hydrogen_Atom_Count	16
16659682	Rotatable_Bond_Count	6
16836	Rotatable_Bond_Count	4
20219	Undefined_Atom_Stereo_Count	0
67322	Exact_Mass	236.17360725
9518	Undefined_Atom_Stereo_Count	0
7098617	Structure_Complexity	382
2762874	Defined_Atom_Stereo_Count	0
67278	Non-hydrogen_Atom_Count	14
53924211	Molecular_Weight	112.09
11396600	Covalent_Unit_Count	1
3073763	Total_Formal_Charge	0
53317121	Defined_Atom_Stereo_Count	0
19539	Total_Formal_Charge	0
118011485	Hydrogen_Bond_Donor_Count	1
19089031	Non-hydrogen_Atom_Count	7
133520	Molecular_Weight	111.10
21939031	Rotatable_Bond_Count	0
57429842	Molecular_Weight	114.14
9547215	Exact_Mass	386.24570956
89206022	Hydrogen_Bond_Donor_Count	4
15359	Defined_Bond_Stereo_Count	0
2044	Covalent_Unit_Count	1
10589	Mono_Isotopic_Weight	143.914594
44149909	Undefined_Bond_Stereo_Count	0
3564	Hydrogen_Bond_Donor_Count	1
74136	Mono_Isotopic_Weight	371.09225967
6538995	Isotope_Atom_Count	0
7163	Tautomer_Count	1
70686822	TPSA	127
127243400	Exact_Mass	733.52411623
71309	Non-hydrogen_Atom_Count	34
4228493	Defined_Bond_Stereo_Count	0
59648875	Structure_Complexity	113
165664742	Structure_Complexity	124
57303454	Non-hydrogen_Atom_Count	7
129865974	Molecular_Weight	496.8
866400	Exact_Mass	312.10225383
54548956	Hydrogen_Bond_Donor_Count	1
5882188	Undefined_Atom_Stereo_Count	0
62015	Molecular_Weight	407.6
34060	Isotope_Atom_Count	0
14816327	TPSA	21.6
67078449	Covalent_Unit_Count	1
21057	Undefined_Bond_Stereo_Count	0
25835	XLogP3-AA	7.5
55290981	Defined_Atom_Stereo_Count	0
45488121	TPSA	80.8
712265	Covalent_Unit_Count	1
9931954	TPSA	56.9
87079617	Rotatable_Bond_Count	3
149798	Total_Formal_Charge	0
656846	Non-hydrogen_Atom_Count	86
5484736	Mono_Isotopic_Weight	389.04503815
13397	Defined_Bond_Stereo_Count	0
3029012	Mono_Isotopic_Weight	181.07389321
123134032	Structure_Complexity	953
65564	Undefined_Atom_Stereo_Count	0
8205	Rotatable_Bond_Count	12
36382	Total_Formal_Charge	0
5101	Undefined_Atom_Stereo_Count	5
10486805	Molecular_Weight	100.12
70555429	Defined_Atom_Stereo_Count	0
11534927	Covalent_Unit_Count	1
5288631	Undefined_Atom_Stereo_Count	0
22348641	Total_Formal_Charge	0
79691	Non-hydrogen_Atom_Count	13
15070	XLogP3	0.2
54675830	Hydrogen_Bond_Acceptor_Count	3
72199624	Mono_Isotopic_Weight	488.1635470
44570765	XLogP3-AA	1.6
5369129	Hydrogen_Bond_Donor_Count	0
9409	Mono_Isotopic_Weight	959.9824113
1808	Hydrogen_Bond_Donor_Count	1
3033984	Total_Formal_Charge	0
140535901	Total_Formal_Charge	0
733511	Mono_Isotopic_Weight	319.157228913
805	Undefined_Atom_Stereo_Count	4
439524	Rotatable_Bond_Count	3
126456023	Hydrogen_Bond_Donor_Count	3
73977860	TPSA	33
2127	Covalent_Unit_Count	1
45359047	Mono_Isotopic_Weight	372.24922409
17190	Undefined_Bond_Stereo_Count	0
137547	Undefined_Atom_Stereo_Count	0
6920143	Defined_Atom_Stereo_Count	1
554363	Defined_Bond_Stereo_Count	0
12346042	Undefined_Atom_Stereo_Count	1
2521	Molecular_Weight	622.5
11239	Hydrogen_Bond_Donor_Count	0
18694330	Isotope_Atom_Count	0
6957672	Covalent_Unit_Count	1
4103	Mono_Isotopic_Weight	380.10420754
14968486	Exact_Mass	114.068079557
11538592	Rotatable_Bond_Count	4
59347	Tautomer_Count	1
16211283	Molecular_Weight	396.9
3081387	Undefined_Atom_Stereo_Count	0
74570	Isotope_Atom_Count	0
28230148	Structure_Complexity	515
83679654	Hydrogen_Bond_Acceptor_Count	3
12465658	Undefined_Bond_Stereo_Count	0
90997437	TPSA	60.7
10270986	Hydrogen_Bond_Acceptor_Count	8
22631092	Isotope_Atom_Count	0
2733848	Total_Formal_Charge	0
184653	Hydrogen_Bond_Acceptor_Count	1
54515893	Defined_Atom_Stereo_Count	0
12669582	Covalent_Unit_Count	1
17816433	Hydrogen_Bond_Acceptor_Count	1
437721	Non-hydrogen_Atom_Count	7
77918	Non-hydrogen_Atom_Count	12
10342	Molecular_Weight	88.11
325385	Structure_Complexity	70.1
23675341	Structure_Complexity	839
91867648	Isotope_Atom_Count	1
519726	Exact_Mass	111.079647300
2723730	Exact_Mass	155.0349209
56438	Hydrogen_Bond_Acceptor_Count	4
1216	Molecular_Weight	197.13
20686	Exact_Mass	108.068748264
13350797	Exact_Mass	97.052763847
79425	Mono_Isotopic_Weight	215.976764
2557	Undefined_Bond_Stereo_Count	0
135011791	Undefined_Bond_Stereo_Count	0
135414248	Hydrogen_Bond_Acceptor_Count	5
34005	Structure_Complexity	56
6451149	Rotatable_Bond_Count	5
69251960	Isotope_Atom_Count	0
6473878	Tautomer_Count	3
68789	Undefined_Atom_Stereo_Count	1
2527	Molecular_Weight	233.26
153816117	Mono_Isotopic_Weight	113.047678466
31238	Exact_Mass	260.250401021
11650	TPSA	209
7106	Covalent_Unit_Count	1
2139	Exact_Mass	792.16460280
56769	Tautomer_Count	1
38668	Defined_Atom_Stereo_Count	0
480785	Rotatable_Bond_Count	5
3744660	Structure_Complexity	220
86350	Hydrogen_Bond_Donor_Count	0
22836365	Exact_Mass	181.06674293
38945	XLogP3	0.8
101656013	TPSA	170
6545	Molecular_Weight	290.44
1549107	Covalent_Unit_Count	1
10026	Defined_Atom_Stereo_Count	0
53853926	TPSA	42.2
7761	Covalent_Unit_Count	1
44560574	Defined_Atom_Stereo_Count	1
4523964	Covalent_Unit_Count	1
71228	Total_Formal_Charge	0
14670	Exact_Mass	285.12996879
87355672	Non-hydrogen_Atom_Count	8
11198850	Structure_Complexity	523
11531537	Exact_Mass	404.26750763
53717135	XLogP3-AA	2.1
442530	Defined_Bond_Stereo_Count	0
6419898	TPSA	195
34173590	Covalent_Unit_Count	1
186094	Defined_Atom_Stereo_Count	0
71751937	TPSA	45.6
31253	Rotatable_Bond_Count	4
57394708	Molecular_Weight	459.5
90728	Exact_Mass	116.047344113
41088	Undefined_Bond_Stereo_Count	0
77530	Hydrogen_Bond_Donor_Count	0
18413907	Mono_Isotopic_Weight	95.073499291
7216	Defined_Atom_Stereo_Count	0
101924284	Total_Formal_Charge	0
11976366	Hydrogen_Bond_Donor_Count	1
15133384	Non-hydrogen_Atom_Count	31
111037	Undefined_Bond_Stereo_Count	0
24020	Undefined_Atom_Stereo_Count	1
155138	Total_Formal_Charge	0
14288779	Defined_Bond_Stereo_Count	0
449346	Total_Formal_Charge	0
6803597	Non-hydrogen_Atom_Count	26
64049	Total_Formal_Charge	0
9604653	Undefined_Atom_Stereo_Count	0
13529145	Isotope_Atom_Count	0
9908268	Covalent_Unit_Count	1
58391580	Undefined_Atom_Stereo_Count	6
6420013	Mono_Isotopic_Weight	343.1550360
49862768	XLogP3-AA	4.7
37384	Total_Formal_Charge	0
242722	TPSA	12.9
140180	Isotope_Atom_Count	0
29373	Undefined_Atom_Stereo_Count	0
139852	Mono_Isotopic_Weight	93.057849228
129627923	Exact_Mass	271.99333348
156619387	TPSA	449
135926580	Hydrogen_Bond_Acceptor_Count	16
5350	Total_Formal_Charge	0
4876	Covalent_Unit_Count	1
162291	Defined_Atom_Stereo_Count	0
97597	Total_Formal_Charge	0
66316	Structure_Complexity	260
51341966	Molecular_Weight	265.98
8108	Hydrogen_Bond_Acceptor_Count	1
10442928	Undefined_Bond_Stereo_Count	0
6433110	Hydrogen_Bond_Donor_Count	2
446845	Hydrogen_Bond_Acceptor_Count	5
23669619	Undefined_Bond_Stereo_Count	0
5761	Exact_Mass	323.199762429
104774	Undefined_Atom_Stereo_Count	0
11194307	Molecular_Weight	111.18
24857	Exact_Mass	222.01758
10314851	Hydrogen_Bond_Acceptor_Count	2
12211561	Isotope_Atom_Count	0
4345	Non-hydrogen_Atom_Count	26
966	TPSA	389
95705	TPSA	75.3
23293	Covalent_Unit_Count	1
66191	Non-hydrogen_Atom_Count	9
15627	Defined_Atom_Stereo_Count	0
12837274	Undefined_Atom_Stereo_Count	1
14417887	Undefined_Bond_Stereo_Count	0
12397	Exact_Mass	228.245315640
16653	Mono_Isotopic_Weight	187.10308534
57229116	Mono_Isotopic_Weight	114.068079557
3437	Undefined_Atom_Stereo_Count	0
155295051	Undefined_Bond_Stereo_Count	0
5362772	Defined_Atom_Stereo_Count	0
129786694	Exact_Mass	99.032028402
57398259	Exact_Mass	446.23516213
22242539	Defined_Bond_Stereo_Count	0
25563891	TPSA	49.3
163872486	TPSA	279
87187677	XLogP3-AA	1.2
6436059	Defined_Bond_Stereo_Count	2
82593536	Mono_Isotopic_Weight	102.068079557
88191	Rotatable_Bond_Count	14
137348324	Total_Formal_Charge	0
145386	Defined_Bond_Stereo_Count	0
5262	Defined_Atom_Stereo_Count	0
16051969	Undefined_Atom_Stereo_Count	0
12367598	Rotatable_Bond_Count	4
5251826	Exact_Mass	190.121846464
219224	Exact_Mass	113.047678466
101796201	Structure_Complexity	151
3298	Molecular_Weight	330.5
20784557	Structure_Complexity	80.5
363357	Mono_Isotopic_Weight	326.235813585
61453	Covalent_Unit_Count	1
5284371	Rotatable_Bond_Count	1
19101067	XLogP3-AA	0.9
413505	Non-hydrogen_Atom_Count	13
30209	Defined_Atom_Stereo_Count	0
8138	XLogP3	4.2
59087	Non-hydrogen_Atom_Count	22
6992032	Hydrogen_Bond_Donor_Count	2
521993	Exact_Mass	102.068079557
502272	Exact_Mass	346.14884905
71893	Mono_Isotopic_Weight	139.063328530
5744	Molecular_Weight	404.5
69089	Defined_Atom_Stereo_Count	0
274412	TPSA	40.5
85538	Hydrogen_Bond_Donor_Count	2
3264	Total_Formal_Charge	0
554	Non-hydrogen_Atom_Count	10
5335	Structure_Complexity	451
11957621	Structure_Complexity	130
123776311	Total_Formal_Charge	0
25915	Isotope_Atom_Count	0
2723610	Undefined_Atom_Stereo_Count	4
3082460	Molecular_Weight	360.31
129696925	Total_Formal_Charge	0
133550157	TPSA	195
67247924	Isotope_Atom_Count	0
5943039	Defined_Atom_Stereo_Count	0
45484851	XLogP3-AA	5.1
220272	Hydrogen_Bond_Donor_Count	2
51356843	Defined_Bond_Stereo_Count	0
42626880	Rotatable_Bond_Count	8
3088997	XLogP3-AA	1.7
535857	Structure_Complexity	68.8
126962001	Non-hydrogen_Atom_Count	55
46228506	Rotatable_Bond_Count	2
843179	Hydrogen_Bond_Acceptor_Count	4
7787	Non-hydrogen_Atom_Count	32
45008	Isotope_Atom_Count	0
54405	Defined_Atom_Stereo_Count	2
24947	Molecular_Weight	183.32
441244	Mono_Isotopic_Weight	355.94971
168707	Covalent_Unit_Count	1
538736	Hydrogen_Bond_Donor_Count	1
89408	XLogP3-AA	3.3
118855589	XLogP3-AA	5.1
141315	Non-hydrogen_Atom_Count	8
396765	Mono_Isotopic_Weight	654.53758147
11619519	Mono_Isotopic_Weight	458.0968101
73877	TPSA	20.2
6918286	Non-hydrogen_Atom_Count	26
95258	Covalent_Unit_Count	1
91202	Covalent_Unit_Count	1
11297955	Hydrogen_Bond_Donor_Count	0
135430970	Defined_Bond_Stereo_Count	0
8216	Hydrogen_Bond_Acceptor_Count	2
185617	Tautomer_Count	19
704233	TPSA	69.6
5273569	Defined_Atom_Stereo_Count	0
10887985	Exact_Mass	138.140850574
17954	Structure_Complexity	294
28430	Isotope_Atom_Count	0
154578334	Non-hydrogen_Atom_Count	24
71258	Exact_Mass	314.17427596
547790	Undefined_Atom_Stereo_Count	2
77930	Defined_Bond_Stereo_Count	0
628447	Undefined_Atom_Stereo_Count	1
9798098	Undefined_Atom_Stereo_Count	0
124081896	Hydrogen_Bond_Donor_Count	0
88898	Defined_Bond_Stereo_Count	0
216295	Molecular_Weight	484.6
71560537	Undefined_Bond_Stereo_Count	0
62867	Undefined_Bond_Stereo_Count	0
163090690	Hydrogen_Bond_Donor_Count	4
69338	Hydrogen_Bond_Donor_Count	1
12950121	Mono_Isotopic_Weight	96.093900383
643790	Defined_Bond_Stereo_Count	1
4284331	TPSA	189
91855653	Isotope_Atom_Count	0
89145326	Undefined_Bond_Stereo_Count	0
3658056	Structure_Complexity	738
66638	Molecular_Weight	254.26
110964	Defined_Bond_Stereo_Count	0
53326689	Hydrogen_Bond_Acceptor_Count	5
7081	Covalent_Unit_Count	1
57369411	Exact_Mass	845.53283528
13438404	XLogP3-AA	0.2
38089	Non-hydrogen_Atom_Count	21
16772299	Hydrogen_Bond_Acceptor_Count	1
18616487	Covalent_Unit_Count	1
9548714	Total_Formal_Charge	0
9415	Non-hydrogen_Atom_Count	23
21251781	Exact_Mass	113.047678466
4340561	Hydrogen_Bond_Donor_Count	1
69803	Non-hydrogen_Atom_Count	12
3692772	Structure_Complexity	171
4118	Hydrogen_Bond_Donor_Count	1
2971	Mono_Isotopic_Weight	322.21440943
54585640	Hydrogen_Bond_Donor_Count	1
5830	Exact_Mass	178.05984080
15301053	Defined_Bond_Stereo_Count	0
444779	Hydrogen_Bond_Acceptor_Count	7
11412346	Exact_Mass	97.089149355
171296	Mono_Isotopic_Weight	291.1138399
43260	Defined_Atom_Stereo_Count	0
66192	Total_Formal_Charge	0
57397289	Defined_Bond_Stereo_Count	0
70677962	Structure_Complexity	629
3609	Undefined_Bond_Stereo_Count	0
436542	Rotatable_Bond_Count	1
44571915	Non-hydrogen_Atom_Count	30
11451	Molecular_Weight	174.18
11271730	Covalent_Unit_Count	1
44560806	TPSA	150
70695665	Structure_Complexity	432
10126081	Exact_Mass	354.18939187
61444	Hydrogen_Bond_Acceptor_Count	11
21875354	Exact_Mass	159.102119336
62779	Rotatable_Bond_Count	1
5365369	Rotatable_Bond_Count	19
21438817	Defined_Atom_Stereo_Count	0
115011062	Mono_Isotopic_Weight	114.068079557
12305037	Defined_Atom_Stereo_Count	1
13463247	Defined_Atom_Stereo_Count	0
10028615	Mono_Isotopic_Weight	492.24243570
292	Mono_Isotopic_Weight	565.07100571
86356	TPSA	35
173799	Undefined_Bond_Stereo_Count	0
740	Covalent_Unit_Count	1
9796154	Exact_Mass	294.19434270
118460906	Total_Formal_Charge	0
10401972	Total_Formal_Charge	0
13244490	Undefined_Atom_Stereo_Count	0
604	Tautomer_Count	1
87212	Hydrogen_Bond_Acceptor_Count	6
5284592	Exact_Mass	372.26644501
57507	Rotatable_Bond_Count	3
10334	Mono_Isotopic_Weight	156.00674260
2174	Covalent_Unit_Count	1
5702096	Defined_Atom_Stereo_Count	3
8479	Isotope_Atom_Count	0
3973	Undefined_Atom_Stereo_Count	0
12591942	Rotatable_Bond_Count	1
83969	Undefined_Atom_Stereo_Count	1
54376298	Total_Formal_Charge	0
439577	Molecular_Weight	384.6
12102501	Undefined_Atom_Stereo_Count	0
3084667	Tautomer_Count	1
9837916	Hydrogen_Bond_Donor_Count	1
25079425	Tautomer_Count	996
705672	Mono_Isotopic_Weight	348.13615911
8994	Exact_Mass	396.0643624
153929434	Structure_Complexity	99.9
20341223	Total_Formal_Charge	0
3760923	Undefined_Atom_Stereo_Count	0
57445154	Rotatable_Bond_Count	2
54605501	Rotatable_Bond_Count	7
705487	Structure_Complexity	512
90908	TPSA	32.3
3034043	Undefined_Bond_Stereo_Count	0
22660626	TPSA	57.5
4630253	Molecular_Weight	408.9
13220	Covalent_Unit_Count	1
101307877	Total_Formal_Charge	0
32607	Non-hydrogen_Atom_Count	17
19735771	Mono_Isotopic_Weight	112.063662883
24066	Hydrogen_Bond_Donor_Count	2
124225	Undefined_Atom_Stereo_Count	1
165687912	Hydrogen_Bond_Donor_Count	0
259751	Hydrogen_Bond_Acceptor_Count	4
26462	Defined_Bond_Stereo_Count	0
636384	Isotope_Atom_Count	0
12175949	Non-hydrogen_Atom_Count	29
13520	Isotope_Atom_Count	0
68090055	Mono_Isotopic_Weight	111.068413911
69777	Molecular_Weight	284.23
237873	Defined_Atom_Stereo_Count	0
5282483	Non-hydrogen_Atom_Count	32
88314154	XLogP3-AA	0.4
11553983	Total_Formal_Charge	0
54003766	Isotope_Atom_Count	0
6917778	TPSA	46.3
44225660	XLogP3-AA	7.5
5373773	Covalent_Unit_Count	1
79244	Total_Formal_Charge	0
86592	TPSA	17.1
129627812	Defined_Bond_Stereo_Count	0
4735	Non-hydrogen_Atom_Count	25
101063142	Undefined_Atom_Stereo_Count	0
363121	Exact_Mass	236.07970687
45266503	Undefined_Bond_Stereo_Count	0
4453511	Structure_Complexity	417
16322	Undefined_Bond_Stereo_Count	0
10772946	Total_Formal_Charge	0
19143	TPSA	23.5
5282350	Covalent_Unit_Count	1
9810601	Tautomer_Count	2
6994776	Defined_Atom_Stereo_Count	0
6568	Hydrogen_Bond_Donor_Count	1
688311	Exact_Mass	243.95352
22598190	Molecular_Weight	96.17
53950495	Molecular_Weight	116.16
26421	Tautomer_Count	1
3437714	Total_Formal_Charge	0
66992268	Undefined_Atom_Stereo_Count	0
13420638	Hydrogen_Bond_Donor_Count	0
779179	Hydrogen_Bond_Acceptor_Count	5
548185	Defined_Atom_Stereo_Count	0
18183443	Undefined_Atom_Stereo_Count	1
90272	Molecular_Weight	262.69
6624	Mono_Isotopic_Weight	266.0265204
54475034	XLogP3-AA	0.1
10476437	Total_Formal_Charge	0
43493	Isotope_Atom_Count	0
10219396	Isotope_Atom_Count	0
831313	Isotope_Atom_Count	0
5359464	Defined_Bond_Stereo_Count	0
29352	Covalent_Unit_Count	1
7854	Isotope_Atom_Count	0
143917	Molecular_Weight	92.14
12594656	Covalent_Unit_Count	1
839	TPSA	121
102016704	Molecular_Weight	324.4
43216	Undefined_Bond_Stereo_Count	0
1615208	Structure_Complexity	62.7
2413	Exact_Mass	281.08743528
4418048	Structure_Complexity	93.1
44251425	Mono_Isotopic_Weight	743.54650544
92139	Hydrogen_Bond_Donor_Count	0
18779032	Hydrogen_Bond_Donor_Count	4
68322079	Molecular_Weight	353.4
12491241	Molecular_Weight	114.10
71345	Non-hydrogen_Atom_Count	27
51030054	Covalent_Unit_Count	1
24838350	Isotope_Atom_Count	0
5384200	Undefined_Bond_Stereo_Count	0
31398	Total_Formal_Charge	0
85299214	Defined_Bond_Stereo_Count	0
44367502	Total_Formal_Charge	0
129806	Hydrogen_Bond_Acceptor_Count	10
139590517	Undefined_Bond_Stereo_Count	0
89753	Rotatable_Bond_Count	8
17168	Covalent_Unit_Count	1
38853	Rotatable_Bond_Count	3
77022	Undefined_Bond_Stereo_Count	0
10971	Non-hydrogen_Atom_Count	8
15806	Covalent_Unit_Count	1
556051	Mono_Isotopic_Weight	106.041864811
403804	Isotope_Atom_Count	0
85891258	Defined_Bond_Stereo_Count	0
6436924	Molecular_Weight	360.75
24870	Undefined_Atom_Stereo_Count	0
2435	Rotatable_Bond_Count	2
78320408	Molecular_Weight	518.6
15728264	Hydrogen_Bond_Acceptor_Count	4
20485709	Mono_Isotopic_Weight	109.052763847
32336	Undefined_Atom_Stereo_Count	3
19828862	Undefined_Atom_Stereo_Count	0
15301053	Defined_Atom_Stereo_Count	0
4582877	Structure_Complexity	172
6476	Total_Formal_Charge	0
23978	Undefined_Atom_Stereo_Count	0
91805	Total_Formal_Charge	0
7311	Structure_Complexity	206
11355437	Molecular_Weight	78.071
5470	Defined_Atom_Stereo_Count	0
59768	TPSA	67.8
24208	XLogP3-AA	3.5
78012803	Rotatable_Bond_Count	3
21947198	Mono_Isotopic_Weight	195.06604493
21943184	Total_Formal_Charge	0
13086	Covalent_Unit_Count	1
3000706	Structure_Complexity	1910
221050	Structure_Complexity	52
47491	Defined_Bond_Stereo_Count	0
44404642	TPSA	95.2
4510	Molecular_Weight	227.09
358641	Hydrogen_Bond_Acceptor_Count	13
9834129	Non-hydrogen_Atom_Count	12
48448	Total_Formal_Charge	0
177739	Undefined_Atom_Stereo_Count	0
19665	Total_Formal_Charge	0
4587	Isotope_Atom_Count	0
73462	Mono_Isotopic_Weight	684.2018590
44310707	TPSA	73.3
534471	Hydrogen_Bond_Acceptor_Count	2
108144	Hydrogen_Bond_Donor_Count	2
4219136	XLogP3-AA	1
56842993	TPSA	75.3
24825758	Mono_Isotopic_Weight	1168.76557731
129709636	Covalent_Unit_Count	1
137254	Hydrogen_Bond_Acceptor_Count	2
19933060	Hydrogen_Bond_Donor_Count	0
54744	Exact_Mass	288.14739250
7098630	Total_Formal_Charge	0
158524	Hydrogen_Bond_Donor_Count	0
12979476	Mono_Isotopic_Weight	41.026549100
7280	Hydrogen_Bond_Acceptor_Count	0
6453100	Hydrogen_Bond_Acceptor_Count	4
163091	Non-hydrogen_Atom_Count	20
13627570	Rotatable_Bond_Count	3
17960143	Structure_Complexity	70
71717	Covalent_Unit_Count	1
88558	Exact_Mass	155.058243149
89723675	TPSA	76.5
11446361	Covalent_Unit_Count	1
3126	Hydrogen_Bond_Donor_Count	3
56471	XLogP3	0.9
23653	Rotatable_Bond_Count	11
59295968	Defined_Bond_Stereo_Count	0
9980241	Tautomer_Count	6
5375199	Hydrogen_Bond_Acceptor_Count	4
439639	Isotope_Atom_Count	0
135020	Undefined_Atom_Stereo_Count	0
879	Defined_Atom_Stereo_Count	0
2509	Hydrogen_Bond_Acceptor_Count	3
10664	Defined_Bond_Stereo_Count	0
5803	Hydrogen_Bond_Donor_Count	2
12136798	Total_Formal_Charge	0
53735	Undefined_Atom_Stereo_Count	0
444182	Total_Formal_Charge	0
135465079	Mono_Isotopic_Weight	194.105527694
443151	Non-hydrogen_Atom_Count	30
4296	Exact_Mass	230.10308291
122130	Molecular_Weight	516.6
67522784	Total_Formal_Charge	0
5282428	Mono_Isotopic_Weight	398.20932405
681186	Defined_Atom_Stereo_Count	0
1967	Rotatable_Bond_Count	6
57589	Undefined_Bond_Stereo_Count	0
62531	Defined_Bond_Stereo_Count	0
4173	Isotope_Atom_Count	0
535535	Undefined_Bond_Stereo_Count	0
9419	Rotatable_Bond_Count	3
68068812	Hydrogen_Bond_Acceptor_Count	2
171548	Total_Formal_Charge	0
9860946	Hydrogen_Bond_Donor_Count	1
71456995	Structure_Complexity	1930
18372143	Defined_Bond_Stereo_Count	0
9964	TPSA	26
369373	Hydrogen_Bond_Donor_Count	4
43860	Rotatable_Bond_Count	4
6669	Mono_Isotopic_Weight	294.12157168
65110	Tautomer_Count	5
46840007	Structure_Complexity	42.8
12217	Defined_Atom_Stereo_Count	0
7567	Hydrogen_Bond_Donor_Count	0
72683639	Defined_Atom_Stereo_Count	0
146157955	TPSA	241
60946	Hydrogen_Bond_Acceptor_Count	8
5459784	Tautomer_Count	1
61071	XLogP3-AA	3.4
11084068	Hydrogen_Bond_Donor_Count	1
87402170	Rotatable_Bond_Count	2
11018812	Molecular_Weight	98.14
137815	Isotope_Atom_Count	0
24822135	Structure_Complexity	555
21564107	Total_Formal_Charge	0
6913	Hydrogen_Bond_Acceptor_Count	1
5385074	Molecular_Weight	416.4
24892775	TPSA	228
7047	Defined_Atom_Stereo_Count	0
16718576	Defined_Bond_Stereo_Count	0
464	Undefined_Bond_Stereo_Count	0
11788264	Isotope_Atom_Count	0
60196286	Defined_Bond_Stereo_Count	0
85576	Rotatable_Bond_Count	9
46936560	TPSA	44.4
1268107	Covalent_Unit_Count	1
6957965	TPSA	85.6
101882533	Structure_Complexity	735
16076883	TPSA	191
115000	Covalent_Unit_Count	2
101883476	TPSA	65
71365	TPSA	137
27428	Hydrogen_Bond_Donor_Count	0
44237094	Non-hydrogen_Atom_Count	22
439263	Non-hydrogen_Atom_Count	11
71571522	Total_Formal_Charge	0
5611	Non-hydrogen_Atom_Count	22
147594753	Covalent_Unit_Count	1
20060494	Undefined_Atom_Stereo_Count	1
5845	Hydrogen_Bond_Donor_Count	0
659840	TPSA	23.5
56296	TPSA	165
5284607	Defined_Atom_Stereo_Count	2
29739	Undefined_Bond_Stereo_Count	0
79608	Rotatable_Bond_Count	0
14010333	Rotatable_Bond_Count	7
234808	Covalent_Unit_Count	1
5462442	Hydrogen_Bond_Donor_Count	2
66587064	Covalent_Unit_Count	2
14463	Hydrogen_Bond_Acceptor_Count	6
17001	Rotatable_Bond_Count	6
118451841	Non-hydrogen_Atom_Count	20
12096001	Defined_Bond_Stereo_Count	2
86278438	Rotatable_Bond_Count	5
65600	Defined_Bond_Stereo_Count	0
70106	TPSA	17.1
4054588	Exact_Mass	85.052763847
3486729	Total_Formal_Charge	0
54688261	Structure_Complexity	502
398592	XLogP3-AA	1.2
31209	Rotatable_Bond_Count	6
20590622	Defined_Bond_Stereo_Count	0
16989	Total_Formal_Charge	0
135472946	XLogP3-AA	3.7
11789135	Defined_Bond_Stereo_Count	0
184821	Mono_Isotopic_Weight	377.1757714
31528	Isotope_Atom_Count	0
53756508	Defined_Atom_Stereo_Count	0
9570290	TPSA	95.9
44563177	Hydrogen_Bond_Acceptor_Count	7
1348	Defined_Bond_Stereo_Count	0
78475	Defined_Atom_Stereo_Count	0
3811100	Tautomer_Count	2
123626	Defined_Atom_Stereo_Count	0
123448160	Isotope_Atom_Count	0
443130	Isotope_Atom_Count	0
4496	Hydrogen_Bond_Acceptor_Count	4
5196	Rotatable_Bond_Count	0
66251	Covalent_Unit_Count	2
12219859	Non-hydrogen_Atom_Count	8
2766744	Hydrogen_Bond_Acceptor_Count	5
10891	Non-hydrogen_Atom_Count	9
92879	Exact_Mass	378.12494298
91170688	TPSA	60.7
56679001	Isotope_Atom_Count	0
3605	Defined_Atom_Stereo_Count	0
13258395	Undefined_Bond_Stereo_Count	0
140152057	Non-hydrogen_Atom_Count	48
85916	Total_Formal_Charge	0
73364	Undefined_Bond_Stereo_Count	0
5818	Structure_Complexity	64.7
58630	Undefined_Bond_Stereo_Count	0
8063	XLogP3-AA	1.1
4026	Covalent_Unit_Count	1
134767951	Exact_Mass	303.14705815
941915	Exact_Mass	325.15387487
12870232	Undefined_Atom_Stereo_Count	0
134692791	Isotope_Atom_Count	0
89261068	Molecular_Weight	114.15
43247500	TPSA	27
6432238	Covalent_Unit_Count	1
200164	Hydrogen_Bond_Acceptor_Count	4
53768737	Defined_Atom_Stereo_Count	0
59248882	Mono_Isotopic_Weight	631.24807216
162639137	Total_Formal_Charge	0
26859	Rotatable_Bond_Count	4
270010	Undefined_Atom_Stereo_Count	0
62484	Isotope_Atom_Count	0
12705044	Exact_Mass	104.062600255
23667630	Covalent_Unit_Count	2
12284866	Total_Formal_Charge	0
228430	Undefined_Bond_Stereo_Count	0
92838	Molecular_Weight	132.16
2760115	Isotope_Atom_Count	0
22459	Rotatable_Bond_Count	0
43454	Non-hydrogen_Atom_Count	19
13177014	Undefined_Atom_Stereo_Count	0
44472635	Exact_Mass	444.21614077
134688154	Exact_Mass	394.21440943
96273	Non-hydrogen_Atom_Count	9
5355751	Undefined_Bond_Stereo_Count	0
38037	Structure_Complexity	197
984411	TPSA	113
19027501	Rotatable_Bond_Count	3
6030	Exact_Mass	324.03586699
20141875	Hydrogen_Bond_Donor_Count	1
139088080	Non-hydrogen_Atom_Count	21
75090	Tautomer_Count	15
135413545	Non-hydrogen_Atom_Count	38
6055	Rotatable_Bond_Count	4
12953697	Mono_Isotopic_Weight	85.089149355
136219151	Exact_Mass	404.1767745
10624	Hydrogen_Bond_Acceptor_Count	5
10930	Total_Formal_Charge	0
67296898	Exact_Mass	114.068079557
16050931	Isotope_Atom_Count	0
5288811	Total_Formal_Charge	0
4841	TPSA	46.5
24883	TPSA	0
20885	Undefined_Atom_Stereo_Count	0
543030	Exact_Mass	106.053098200
54236	Covalent_Unit_Count	1
15910	Rotatable_Bond_Count	0
10781	Exact_Mass	297.1495567
66535	Total_Formal_Charge	0
124921376	Hydrogen_Bond_Acceptor_Count	14
3826198	Rotatable_Bond_Count	0
14260	Isotope_Atom_Count	0
154474669	Hydrogen_Bond_Donor_Count	2
12452048	Total_Formal_Charge	0
5242420	Structure_Complexity	297
51030053	Total_Formal_Charge	0
3317081	XLogP3-AA	3.2
98850	Isotope_Atom_Count	0
7422	Total_Formal_Charge	0
140956	Rotatable_Bond_Count	2
82727	Non-hydrogen_Atom_Count	7
59296010	Exact_Mass	490.1174606
18924037	Exact_Mass	113.047678466
107950	Mono_Isotopic_Weight	278.07793079
135738851	Hydrogen_Bond_Donor_Count	7
44629600	XLogP3-AA	4.5
102452877	Total_Formal_Charge	0
98266	Rotatable_Bond_Count	3
25126798	Total_Formal_Charge	0
25526	XLogP3-AA	4.2
26117	TPSA	66
14537426	Non-hydrogen_Atom_Count	7
158815	Exact_Mass	165.115364102
42040	Hydrogen_Bond_Donor_Count	0
53364510	Undefined_Atom_Stereo_Count	1
11988	Total_Formal_Charge	0
56659838	Undefined_Atom_Stereo_Count	0
642108	Molecular_Weight	107.11
10701	Mono_Isotopic_Weight	113.022526347
7177	Non-hydrogen_Atom_Count	20
24518	Hydrogen_Bond_Donor_Count	0
138753053	Undefined_Atom_Stereo_Count	0
18314545	Defined_Atom_Stereo_Count	0
172288	Hydrogen_Bond_Donor_Count	0
23729769	Covalent_Unit_Count	1
86277	Molecular_Weight	304.73
193972	Rotatable_Bond_Count	7
10125830	Defined_Bond_Stereo_Count	1
299801	Defined_Atom_Stereo_Count	0
10909908	Rotatable_Bond_Count	4
66254	Rotatable_Bond_Count	4
13570060	Hydrogen_Bond_Donor_Count	0
139759	Defined_Bond_Stereo_Count	0
451068	Total_Formal_Charge	0
5702609	Undefined_Bond_Stereo_Count	0
19217	Defined_Atom_Stereo_Count	0
143466591	Defined_Atom_Stereo_Count	0
139829	TPSA	0
13891150	Molecular_Weight	115.13
3081078	Undefined_Bond_Stereo_Count	0
606430	Covalent_Unit_Count	1
21585056	Hydrogen_Bond_Donor_Count	1
91490309	Covalent_Unit_Count	1
17004	Covalent_Unit_Count	1
11862	Covalent_Unit_Count	1
692159	Structure_Complexity	368
82751	Undefined_Atom_Stereo_Count	0
9851505	XLogP3	1.7
58420421	Isotope_Atom_Count	0
159027	XLogP3-AA	0.6
17457	Structure_Complexity	374
160368576	Hydrogen_Bond_Donor_Count	1
59966628	Defined_Atom_Stereo_Count	2
3489	Covalent_Unit_Count	1
9957479	Undefined_Bond_Stereo_Count	0
73720	Undefined_Atom_Stereo_Count	0
70111	Tautomer_Count	1
134688371	Undefined_Atom_Stereo_Count	0
519271	Hydrogen_Bond_Acceptor_Count	1
146158974	Hydrogen_Bond_Acceptor_Count	5
162955685	Rotatable_Bond_Count	4
14791281	Covalent_Unit_Count	1
692450	Total_Formal_Charge	0
10434	Defined_Bond_Stereo_Count	0
9805776	Exact_Mass	494.16239112
12146767	Hydrogen_Bond_Acceptor_Count	1
8920	Defined_Atom_Stereo_Count	0
12746	XLogP3-AA	1.8
193001	Isotope_Atom_Count	0
17989307	Exact_Mass	98.073164938
168263	Mono_Isotopic_Weight	114.068079557
219608	Covalent_Unit_Count	1
6100	Exact_Mass	413.06603
44267026	Structure_Complexity	177
2002	Defined_Atom_Stereo_Count	0
67510	Mono_Isotopic_Weight	82.078250319
153088	Hydrogen_Bond_Acceptor_Count	5
145946920	Molecular_Weight	796.9
150257	Molecular_Weight	267.31
10161315	XLogP3-AA	4.5
3226	Undefined_Atom_Stereo_Count	1
5321950	Hydrogen_Bond_Donor_Count	0
143159723	XLogP3-AA	1
135608329	Molecular_Weight	114.08
11935	Total_Formal_Charge	0
71271629	Rotatable_Bond_Count	4
144416139	Rotatable_Bond_Count	1
12830097	Rotatable_Bond_Count	4
35969	TPSA	154
12513438	XLogP3	4.7
3968	Total_Formal_Charge	0
23173	Total_Formal_Charge	0
1282	Undefined_Bond_Stereo_Count	0
14494974	Non-hydrogen_Atom_Count	7
447297	Exact_Mass	327.10414797
51030053	Mono_Isotopic_Weight	396.19098865
145188444	Structure_Complexity	107
680036	Covalent_Unit_Count	1
89422816	Structure_Complexity	67.4
71439018	Structure_Complexity	87.9
68464	XLogP3-AA	3.5
10528103	Hydrogen_Bond_Donor_Count	3
16759596	Hydrogen_Bond_Donor_Count	8
20392120	Defined_Atom_Stereo_Count	0
11346811	Rotatable_Bond_Count	10
101381993	Structure_Complexity	298
5311309	Undefined_Bond_Stereo_Count	0
34719	Undefined_Bond_Stereo_Count	0
3658056	Isotope_Atom_Count	0
12991988	Exact_Mass	396.06121838
164075219	Exact_Mass	106.078250319
71698	Rotatable_Bond_Count	6
14947257	Rotatable_Bond_Count	2
42796	Isotope_Atom_Count	0
118360420	Undefined_Atom_Stereo_Count	6
12302695	Isotope_Atom_Count	0
10882	Total_Formal_Charge	0
26969	Hydrogen_Bond_Acceptor_Count	1
71583378	XLogP3-AA	3.4
137699683	Non-hydrogen_Atom_Count	47
5352974	Exact_Mass	184.146329876
3035267	Rotatable_Bond_Count	13
57351929	Total_Formal_Charge	0
54445182	Defined_Atom_Stereo_Count	2
43513	Undefined_Atom_Stereo_Count	0
8332	Rotatable_Bond_Count	3
54066	Molecular_Weight	250.34
20690188	XLogP3-AA	2
67242545	Undefined_Atom_Stereo_Count	1
54419	Hydrogen_Bond_Donor_Count	2
16130957	Covalent_Unit_Count	1
68364859	Non-hydrogen_Atom_Count	8
3824520	Defined_Atom_Stereo_Count	0
52007	Total_Formal_Charge	0
46902102	Covalent_Unit_Count	2
31953	Undefined_Bond_Stereo_Count	0
23566493	Total_Formal_Charge	0
23704140	Structure_Complexity	880
134828	Mono_Isotopic_Weight	298.09535693
71463825	TPSA	279
5367417	Undefined_Atom_Stereo_Count	0
14016	Isotope_Atom_Count	0
6604042	Mono_Isotopic_Weight	254.04186
3688	TPSA	66.6
65876	Undefined_Bond_Stereo_Count	0
5702063	Covalent_Unit_Count	1
68015385	Defined_Atom_Stereo_Count	4
94355	Defined_Atom_Stereo_Count	0
13065	Undefined_Bond_Stereo_Count	0
131750205	Non-hydrogen_Atom_Count	80
53898601	Molecular_Weight	116.16
71729958	Undefined_Atom_Stereo_Count	0
6435500	Hydrogen_Bond_Acceptor_Count	7
10931378	Hydrogen_Bond_Donor_Count	2
14517	Rotatable_Bond_Count	0
260707	XLogP3-AA	1.3
37767	TPSA	104
6917900	Hydrogen_Bond_Acceptor_Count	5
10248	Hydrogen_Bond_Donor_Count	0
57395978	Defined_Bond_Stereo_Count	0
56069	Isotope_Atom_Count	0
543014	Total_Formal_Charge	0
163501159	Undefined_Atom_Stereo_Count	0
12278364	Total_Formal_Charge	0
7272	TPSA	52.6
9547261	Rotatable_Bond_Count	5
40897	Non-hydrogen_Atom_Count	8
20084	Tautomer_Count	2
11084068	Covalent_Unit_Count	1
6364620	Undefined_Atom_Stereo_Count	5
25660	Hydrogen_Bond_Acceptor_Count	2
3567233	Exact_Mass	211.123523487
14907580	XLogP3-AA	0.6
118209817	Covalent_Unit_Count	1
7351	Total_Formal_Charge	0
16668	Exact_Mass	158.073164938
11676981	Total_Formal_Charge	0
12434511	Hydrogen_Bond_Donor_Count	0
87480477	Defined_Atom_Stereo_Count	0
139079243	Rotatable_Bond_Count	2
123835510	Undefined_Atom_Stereo_Count	3
146158693	Defined_Atom_Stereo_Count	2
54679076	Undefined_Atom_Stereo_Count	0
129991	Isotope_Atom_Count	0
619446	Exact_Mass	278.11583301
14265921	Total_Formal_Charge	0
101744	XLogP3	2.7
126704391	Non-hydrogen_Atom_Count	12
91575456	Non-hydrogen_Atom_Count	7
16653	Non-hydrogen_Atom_Count	12
92366	Covalent_Unit_Count	1
13696436	Rotatable_Bond_Count	2
80349	Rotatable_Bond_Count	2
16212182	Total_Formal_Charge	0
21917899	Undefined_Atom_Stereo_Count	0
141168949	Rotatable_Bond_Count	1
18995710	Rotatable_Bond_Count	0
15278170	XLogP3-AA	0.2
76672	Structure_Complexity	222
1150567	Covalent_Unit_Count	1
156599239	Hydrogen_Bond_Acceptor_Count	3
87495646	Total_Formal_Charge	0
80085	Isotope_Atom_Count	0
54266316	Undefined_Bond_Stereo_Count	0
887830	Rotatable_Bond_Count	3
86912	Molecular_Weight	392.89
68060125	XLogP3-AA	4.8
22185810	Structure_Complexity	55.1
1252759	Hydrogen_Bond_Donor_Count	0
82291	Mono_Isotopic_Weight	93.0345270
3045375	Defined_Atom_Stereo_Count	1
165295	Defined_Bond_Stereo_Count	0
166744	Rotatable_Bond_Count	11
3246495	Molecular_Weight	320.30
12385068	Hydrogen_Bond_Donor_Count	0
91169276	XLogP3-AA	0.1
11700696	Defined_Atom_Stereo_Count	0
60710317	Undefined_Atom_Stereo_Count	0
76772	Undefined_Bond_Stereo_Count	0
4826	Rotatable_Bond_Count	5
6477186	TPSA	104
54175	Covalent_Unit_Count	2
12241264	Isotope_Atom_Count	0
11115032	Defined_Bond_Stereo_Count	0
18029	Covalent_Unit_Count	1
94411	Structure_Complexity	180
12328	Hydrogen_Bond_Donor_Count	1
562176	TPSA	35.5
82161	TPSA	66.8
147556052	Mono_Isotopic_Weight	111.104799419
95434	Exact_Mass	114.104465066
130149197	Hydrogen_Bond_Donor_Count	1
88323	TPSA	64.9
5934	Mono_Isotopic_Weight	239.142247555
3045381	TPSA	60.5
236566	Hydrogen_Bond_Acceptor_Count	3
88077632	Mono_Isotopic_Weight	155.142041939
85610	Isotope_Atom_Count	0
101399329	Molecular_Weight	112.13
137151	Hydrogen_Bond_Acceptor_Count	1
453974	Rotatable_Bond_Count	0
11786594	Mono_Isotopic_Weight	583.23522170
435360	Undefined_Atom_Stereo_Count	0
22986754	Mono_Isotopic_Weight	112.088815002
54682930	Total_Formal_Charge	0
10297818	XLogP3-AA	4.3
16051038	Isotope_Atom_Count	0
20524	Exact_Mass	118.099379685
72187528	Defined_Bond_Stereo_Count	0
5815211	Undefined_Bond_Stereo_Count	0
160753	TPSA	43.4
129754695	Hydrogen_Bond_Donor_Count	0
9578	Exact_Mass	245.91035
17814354	Covalent_Unit_Count	1
34005	Hydrogen_Bond_Acceptor_Count	2
8924	Structure_Complexity	95
13785328	Rotatable_Bond_Count	7
78931	Rotatable_Bond_Count	0
60196401	Hydrogen_Bond_Acceptor_Count	8
256019	Non-hydrogen_Atom_Count	14
14282406	Molecular_Weight	294.4
40467895	Structure_Complexity	857
861	Structure_Complexity	402
54682463	Covalent_Unit_Count	1
34799	Exact_Mass	205.146664230
14743	Exact_Mass	420.26644501
18712663	Tautomer_Count	1
101627	Hydrogen_Bond_Acceptor_Count	5
17277	Undefined_Atom_Stereo_Count	0
16115747	Rotatable_Bond_Count	6
61013	Total_Formal_Charge	0
11521070	Hydrogen_Bond_Donor_Count	1
8985	Covalent_Unit_Count	1
31411	Non-hydrogen_Atom_Count	30
18622348	Undefined_Atom_Stereo_Count	0
14796866	Defined_Atom_Stereo_Count	0
18923031	Rotatable_Bond_Count	0
267	TPSA	573
166775	Exact_Mass	666.22185834
83093	TPSA	9.2
23665874	Molecular_Weight	578.84
261000	Tautomer_Count	13
90016	Undefined_Atom_Stereo_Count	0
18728219	Hydrogen_Bond_Acceptor_Count	1
11181	Mono_Isotopic_Weight	100.063662883
11826859	Covalent_Unit_Count	1
122172547	Non-hydrogen_Atom_Count	85
132541087	Molecular_Weight	260.33
154511	Total_Formal_Charge	0
53324426	Rotatable_Bond_Count	7
78638	Hydrogen_Bond_Donor_Count	0
11007862	Molecular_Weight	114.14
5778	Isotope_Atom_Count	0
5230729	Structure_Complexity	262
9230	Molecular_Weight	117.15
31326	Undefined_Bond_Stereo_Count	0
78293	Defined_Atom_Stereo_Count	0
5328126	Hydrogen_Bond_Donor_Count	2
2714	Hydrogen_Bond_Donor_Count	0
9815576	TPSA	132
246476	Total_Formal_Charge	0
13265823	Defined_Atom_Stereo_Count	0
197883	Tautomer_Count	1
124220089	XLogP3-AA	5.1
6444353	Structure_Complexity	460
24972597	XLogP3-AA	0.2
10853	Total_Formal_Charge	0
16957	Defined_Atom_Stereo_Count	0
7067	Molecular_Weight	179.26
801132	Molecular_Weight	331.4
90654313	Total_Formal_Charge	0
60155273	Total_Formal_Charge	0
167195	Defined_Bond_Stereo_Count	0
404422	Exact_Mass	434.0512198
26398	Undefined_Atom_Stereo_Count	0
10046	Molecular_Weight	297.73
52346	TPSA	66.9
31201	Defined_Bond_Stereo_Count	0
54757209	TPSA	107
11228776	Molecular_Weight	112.13
12585787	Hydrogen_Bond_Acceptor_Count	1
121749	Tautomer_Count	5
81595	Structure_Complexity	119
11552773	Rotatable_Bond_Count	5
6999971	Mono_Isotopic_Weight	114.02924926
180576	Rotatable_Bond_Count	3
4243	Undefined_Atom_Stereo_Count	17
67416	Rotatable_Bond_Count	8
9985155	Defined_Atom_Stereo_Count	0
144798	Structure_Complexity	37.5
147513	Defined_Bond_Stereo_Count	0
10258659	Hydrogen_Bond_Acceptor_Count	6
92886	Defined_Bond_Stereo_Count	0
5684	Defined_Atom_Stereo_Count	0
19705594	Defined_Bond_Stereo_Count	0
86118188	Molecular_Weight	114.14
75084	Structure_Complexity	187
11539751	Covalent_Unit_Count	1
6376436	Rotatable_Bond_Count	11
11378469	Molecular_Weight	114.15
5140	Molecular_Weight	392.5
5205	Undefined_Bond_Stereo_Count	0
274082	Rotatable_Bond_Count	10
43184	Defined_Atom_Stereo_Count	0
67274	TPSA	58.6
6438345	Exact_Mass	476.12283498
1980	Total_Formal_Charge	0
135391135	Hydrogen_Bond_Donor_Count	2
2734054	Undefined_Atom_Stereo_Count	0
5707	Tautomer_Count	8
46205737	TPSA	146
14282994	Rotatable_Bond_Count	2
94830	Structure_Complexity	155
12537312	Covalent_Unit_Count	1
96338	Undefined_Bond_Stereo_Count	0
11582651	Mono_Isotopic_Weight	424.1796670
84696	Mono_Isotopic_Weight	509.37250772
6252	Structure_Complexity	383
14917	Defined_Bond_Stereo_Count	0
127151	Defined_Bond_Stereo_Count	0
1551	Defined_Atom_Stereo_Count	0
3239235	Hydrogen_Bond_Donor_Count	2
5361462	Mono_Isotopic_Weight	489.976916
15383909	Total_Formal_Charge	0
20632752	TPSA	24.1
3083540	Molecular_Weight	385.7
67629	Undefined_Bond_Stereo_Count	0
125889	Undefined_Bond_Stereo_Count	0
51030811	Defined_Atom_Stereo_Count	0
12046	Isotope_Atom_Count	0
52366	Structure_Complexity	164
5198	XLogP3	3.3
21131860	Defined_Atom_Stereo_Count	0
26923	Hydrogen_Bond_Acceptor_Count	4
64418	Defined_Bond_Stereo_Count	0
5282437	Non-hydrogen_Atom_Count	40
51947	Defined_Atom_Stereo_Count	0
97536	Undefined_Atom_Stereo_Count	0
137808	Hydrogen_Bond_Acceptor_Count	1
69677	Undefined_Atom_Stereo_Count	0
135398570	Structure_Complexity	616
10275777	Rotatable_Bond_Count	7
129847163	Structure_Complexity	382
55290394	Covalent_Unit_Count	1
1426	Undefined_Atom_Stereo_Count	1
75714	Exact_Mass	115.063328530
6918925	Undefined_Bond_Stereo_Count	0
161094261	Rotatable_Bond_Count	0
21118312	Defined_Atom_Stereo_Count	7
72854	Hydrogen_Bond_Acceptor_Count	2
12984	Covalent_Unit_Count	1
9870009	Undefined_Atom_Stereo_Count	0
18683475	Hydrogen_Bond_Donor_Count	1
69340843	Total_Formal_Charge	0
91217727	Defined_Atom_Stereo_Count	0
65070	Tautomer_Count	3
11159325	Hydrogen_Bond_Acceptor_Count	3
52865	Rotatable_Bond_Count	7
124389585	Rotatable_Bond_Count	7
57750418	Exact_Mass	382.19173754
11519741	Undefined_Atom_Stereo_Count	0
431097	Undefined_Bond_Stereo_Count	0
14078850	XLogP3-AA	4
447966	Total_Formal_Charge	0
79146	Tautomer_Count	1
53325875	Covalent_Unit_Count	1
344693	Mono_Isotopic_Weight	226.099379685
7154	Hydrogen_Bond_Acceptor_Count	2
99050	Undefined_Atom_Stereo_Count	3
3086308	Isotope_Atom_Count	0
72886	Structure_Complexity	214
158796	Rotatable_Bond_Count	7
23687810	Tautomer_Count	1
449224	Isotope_Atom_Count	0
6161490	Isotope_Atom_Count	0
439655	Molecular_Weight	150.09
81832	Hydrogen_Bond_Donor_Count	3
71661882	Hydrogen_Bond_Donor_Count	1
22033763	Non-hydrogen_Atom_Count	7
169109	Defined_Atom_Stereo_Count	0
57048209	Defined_Atom_Stereo_Count	0
14681325	Defined_Bond_Stereo_Count	0
44336199	Molecular_Weight	292.19
81349	TPSA	32.5
5238474	Exact_Mass	262.121846464
55287301	TPSA	12
11249084	Hydrogen_Bond_Acceptor_Count	5
20626690	Total_Formal_Charge	0
15817841	Exact_Mass	100.027277375
50993725	Covalent_Unit_Count	1
968688	XLogP3	3.5
439661	Mono_Isotopic_Weight	172.13241115
689013	Isotope_Atom_Count	0
22833341	Total_Formal_Charge	0
214398	Undefined_Bond_Stereo_Count	0
135412778	TPSA	92.7
23663969	Covalent_Unit_Count	2
74353448	XLogP3-AA	2.9
69963	Isotope_Atom_Count	0
220861	Mono_Isotopic_Weight	710.35135639
165457	Molecular_Weight	361.4
124012131	Defined_Bond_Stereo_Count	0
42948	Rotatable_Bond_Count	1
142422	Covalent_Unit_Count	1
43558816	Structure_Complexity	123
58468319	Molecular_Weight	114.19
146156970	Exact_Mass	1346.574890
5230729	Hydrogen_Bond_Acceptor_Count	1
5311399	Hydrogen_Bond_Acceptor_Count	5
71785	Mono_Isotopic_Weight	313.215412493
75598	Exact_Mass	151.063328530
3322	Non-hydrogen_Atom_Count	18
20149888	Undefined_Atom_Stereo_Count	0
19828393	Mono_Isotopic_Weight	135.079647300
71215	Exact_Mass	475.909940
3014294	XLogP3-AA	1.5
95069	Hydrogen_Bond_Acceptor_Count	4
5282386	Defined_Bond_Stereo_Count	0
71680685	Undefined_Atom_Stereo_Count	1
409452	Mono_Isotopic_Weight	324.256549029
9911138	Hydrogen_Bond_Acceptor_Count	3
10307851	Covalent_Unit_Count	1
71341	XLogP3-AA	0
6337	Undefined_Atom_Stereo_Count	0
34624	Undefined_Atom_Stereo_Count	0
2372	Mono_Isotopic_Weight	345.19400834
44408	Structure_Complexity	346
9075	TPSA	26
3769881	Rotatable_Bond_Count	3
23238	Rotatable_Bond_Count	2
3086257	Hydrogen_Bond_Donor_Count	5
65246	Non-hydrogen_Atom_Count	16
102115685	Hydrogen_Bond_Acceptor_Count	3
12150354	Defined_Atom_Stereo_Count	0
23520950	Non-hydrogen_Atom_Count	8
10439034	Mono_Isotopic_Weight	632.26332572
3276	Defined_Bond_Stereo_Count	0
22047	Molecular_Weight	323.5
49862574	Non-hydrogen_Atom_Count	30
21591456	Molecular_Weight	222.37
71455277	Hydrogen_Bond_Acceptor_Count	6
162678	Undefined_Atom_Stereo_Count	0
160230029	TPSA	48.2
154552978	Defined_Atom_Stereo_Count	0
16051931	Molecular_Weight	452.6
9820034	Non-hydrogen_Atom_Count	26
11771234	Hydrogen_Bond_Donor_Count	2
13084	Hydrogen_Bond_Donor_Count	2
52427	TPSA	133
3000391	TPSA	196
11608786	Undefined_Atom_Stereo_Count	0
67273	Isotope_Atom_Count	0
146158340	TPSA	157
54066	TPSA	64.4
14818493	XLogP3-AA	0.9
70627	Structure_Complexity	236
10895019	Isotope_Atom_Count	1
3827	TPSA	48.6
12040508	Structure_Complexity	457
6992101	TPSA	67.8
6918494	Covalent_Unit_Count	1
128872	Hydrogen_Bond_Donor_Count	1
399895	Undefined_Atom_Stereo_Count	4
23103	Undefined_Atom_Stereo_Count	0
34213	Molecular_Weight	346.8
69109362	Hydrogen_Bond_Acceptor_Count	3
68321815	Rotatable_Bond_Count	3
9639	Structure_Complexity	319
11084586	Undefined_Bond_Stereo_Count	0
39379	Covalent_Unit_Count	2
56988963	Exact_Mass	102.079312947
9064	Hydrogen_Bond_Acceptor_Count	6
441451	Total_Formal_Charge	0
53442201	XLogP3-AA	2.6
6584	Isotope_Atom_Count	0
16106	Rotatable_Bond_Count	1
67901	Hydrogen_Bond_Donor_Count	2
39799	Mono_Isotopic_Weight	483.779990
6643	Exact_Mass	164.120115130
101711052	Defined_Atom_Stereo_Count	5
12495	Hydrogen_Bond_Donor_Count	0
31635	XLogP3	4
5287792	Total_Formal_Charge	0
231162	Defined_Atom_Stereo_Count	0
8098	Mono_Isotopic_Weight	234.11033829
9793703	Defined_Atom_Stereo_Count	0
94396	Isotope_Atom_Count	0
9552071	Molecular_Weight	272.39
60606	TPSA	57.8
5184540	Structure_Complexity	114
80416	Undefined_Atom_Stereo_Count	0
5359967	Mono_Isotopic_Weight	114.9038788
69521	XLogP3-AA	0.4
16038399	Hydrogen_Bond_Acceptor_Count	5
17873276	Structure_Complexity	48.1
20265292	Undefined_Bond_Stereo_Count	0
13611091	Rotatable_Bond_Count	0
11122	Molecular_Weight	122.12
14032966	Non-hydrogen_Atom_Count	43
106757	Defined_Bond_Stereo_Count	0
19687	Tautomer_Count	1
12425324	Non-hydrogen_Atom_Count	9
12201322	Exact_Mass	78.042927438
71346048	Hydrogen_Bond_Donor_Count	0
57279669	TPSA	43.1
16129759	Undefined_Atom_Stereo_Count	20
74361	Non-hydrogen_Atom_Count	13
188350	Undefined_Bond_Stereo_Count	0
448837	Defined_Atom_Stereo_Count	8
44279790	Mono_Isotopic_Weight	465.1830623
12302671	TPSA	190
35329	TPSA	148
11467403	Structure_Complexity	683
17835	Structure_Complexity	66.4
7561	Rotatable_Bond_Count	3
71517528	TPSA	142
522266	Isotope_Atom_Count	0
76971016	Rotatable_Bond_Count	6
57258462	Total_Formal_Charge	0
86010	Mono_Isotopic_Weight	212.0369090
40466988	Rotatable_Bond_Count	11
704528	XLogP3-AA	1.5
11980076	Tautomer_Count	1000
75908	Undefined_Bond_Stereo_Count	0
3378440	TPSA	166
295258	XLogP3	3
45256107	Defined_Atom_Stereo_Count	0
13465027	Total_Formal_Charge	0
5380	Total_Formal_Charge	0
955	Undefined_Atom_Stereo_Count	0
85895007	Molecular_Weight	110.15
2351	Structure_Complexity	382
2724054	Hydrogen_Bond_Donor_Count	1
19727	Non-hydrogen_Atom_Count	19
62209	Undefined_Atom_Stereo_Count	0
5323976	Defined_Atom_Stereo_Count	0
13618050	Defined_Bond_Stereo_Count	0
160765	Mono_Isotopic_Weight	120.02450067
416	Exact_Mass	368.12196560
61363	Structure_Complexity	1610
70683090	Undefined_Bond_Stereo_Count	0
2367	Molecular_Weight	472.4
551174	Undefined_Atom_Stereo_Count	0
8757	Hydrogen_Bond_Donor_Count	0
44630107	Undefined_Atom_Stereo_Count	1
63420	Structure_Complexity	471
5353453	Undefined_Atom_Stereo_Count	0
64156	Exact_Mass	239.188529040
6781	Defined_Bond_Stereo_Count	0
18075	Molecular_Weight	210.23
21824034	TPSA	64.7
10250769	Hydrogen_Bond_Acceptor_Count	7
4169160	Undefined_Atom_Stereo_Count	1
70689444	Hydrogen_Bond_Donor_Count	3
102491	Molecular_Weight	158.24
8811	Mono_Isotopic_Weight	264.137496527
53672079	Hydrogen_Bond_Donor_Count	0
84002	Tautomer_Count	2
135456190	XLogP3-AA	4.1
451156	XLogP3	3.9
19907834	Defined_Atom_Stereo_Count	0
92626	XLogP3-AA	3.7
5353356	XLogP3	0.2
11477652	Isotope_Atom_Count	0
7431	Isotope_Atom_Count	0
25263055	Mono_Isotopic_Weight	237.10010796
5460324	Isotope_Atom_Count	0
19951	Mono_Isotopic_Weight	98.109550447
5314	Mono_Isotopic_Weight	290.22055744
118689592	Total_Formal_Charge	0
11668	Defined_Bond_Stereo_Count	0
36034	Isotope_Atom_Count	0
16211189	Hydrogen_Bond_Donor_Count	0
86836	Defined_Bond_Stereo_Count	0
99295	Tautomer_Count	1
223866	Defined_Atom_Stereo_Count	0
39715	Hydrogen_Bond_Acceptor_Count	4
23574312	Hydrogen_Bond_Acceptor_Count	1
3035842	Structure_Complexity	132
88830354	Undefined_Atom_Stereo_Count	0
91754484	Non-hydrogen_Atom_Count	26
763244	Total_Formal_Charge	0
5354043	Exact_Mass	286.229665576
57110036	Hydrogen_Bond_Donor_Count	1
444742	Undefined_Bond_Stereo_Count	0
6327	Hydrogen_Bond_Acceptor_Count	0
76415	Isotope_Atom_Count	0
22848362	Exact_Mass	361.0328700
7157007	Structure_Complexity	151
60195904	Isotope_Atom_Count	0
14222	Defined_Atom_Stereo_Count	0
15558640	Undefined_Bond_Stereo_Count	0
4850	Covalent_Unit_Count	1
8496	Rotatable_Bond_Count	2
50537	Exact_Mass	423.1037849
44562492	Molecular_Weight	389.5
90708518	Undefined_Atom_Stereo_Count	0
2741	Defined_Bond_Stereo_Count	0
156592059	Hydrogen_Bond_Donor_Count	8
14536436	Hydrogen_Bond_Donor_Count	1
11440492	Structure_Complexity	441
6384	Exact_Mass	147.91355
12346975	Rotatable_Bond_Count	2
163201191	Rotatable_Bond_Count	0
28417	Tautomer_Count	1
11270783	Defined_Bond_Stereo_Count	0
25074887	Tautomer_Count	996
24824	Hydrogen_Bond_Donor_Count	0
73851	Non-hydrogen_Atom_Count	16
82507	Defined_Atom_Stereo_Count	0
24946103	Hydrogen_Bond_Donor_Count	2
21872909	Mono_Isotopic_Weight	648.29413356
10930422	Total_Formal_Charge	0
44395045	Total_Formal_Charge	0
81618	Hydrogen_Bond_Acceptor_Count	3
21187507	Undefined_Bond_Stereo_Count	0
8201	Covalent_Unit_Count	1
4048	Defined_Bond_Stereo_Count	0
5361462	Tautomer_Count	2
57131110	Hydrogen_Bond_Acceptor_Count	1
12400910	Isotope_Atom_Count	0
153970	Undefined_Bond_Stereo_Count	0
441244	Hydrogen_Bond_Acceptor_Count	6
285033	Isotope_Atom_Count	0
11560224	Undefined_Atom_Stereo_Count	0
60196394	Defined_Bond_Stereo_Count	0
138395106	Molecular_Weight	1213.4
447405	Defined_Atom_Stereo_Count	3
36965	Defined_Atom_Stereo_Count	0
20465	Tautomer_Count	3
24765256	Hydrogen_Bond_Acceptor_Count	9
38307	Structure_Complexity	87.2
21872002	Rotatable_Bond_Count	3
170249	Undefined_Bond_Stereo_Count	0
9536	Non-hydrogen_Atom_Count	12
32169	Rotatable_Bond_Count	7
19602	Defined_Atom_Stereo_Count	0
40510	Isotope_Atom_Count	0
135476770	Exact_Mass	257.11240398
6436063	Total_Formal_Charge	0
16122612	Structure_Complexity	395
7211	TPSA	40.5
44550483	Defined_Bond_Stereo_Count	0
58516110	XLogP3-AA	3.2
3127	XLogP3	2.4
10526	Defined_Atom_Stereo_Count	5
41017	Undefined_Atom_Stereo_Count	0
22917	Exact_Mass	293.08004122
91175918	Structure_Complexity	114
107949	Isotope_Atom_Count	0
65111	Total_Formal_Charge	0
225147	Rotatable_Bond_Count	2
11346	Molecular_Weight	165.15
430245	Isotope_Atom_Count	0
29761	Molecular_Weight	329.4
94021	Mono_Isotopic_Weight	212.14124450
55004	Structure_Complexity	63.3
3294	Structure_Complexity	450
11815	Undefined_Atom_Stereo_Count	0
33721	Hydrogen_Bond_Donor_Count	1
73376	Non-hydrogen_Atom_Count	12
220401	Undefined_Atom_Stereo_Count	0
53808	Undefined_Bond_Stereo_Count	0
201412	Hydrogen_Bond_Donor_Count	6
71533242	Structure_Complexity	753
135402338	Isotope_Atom_Count	0
3303	Isotope_Atom_Count	0
3141	TPSA	72.7
12428018	Rotatable_Bond_Count	1
20373272	TPSA	9.2
75197	Hydrogen_Bond_Acceptor_Count	4
14388239	Total_Formal_Charge	0
117064644	Covalent_Unit_Count	1
12219387	XLogP3-AA	1.7
9577230	Non-hydrogen_Atom_Count	67
4125	Exact_Mass	370.24369555
5283339	Isotope_Atom_Count	0
12661862	Rotatable_Bond_Count	3
22212137	Total_Formal_Charge	0
45933886	Rotatable_Bond_Count	1
75274	Rotatable_Bond_Count	6
79050	XLogP3	5.2
12291486	Hydrogen_Bond_Donor_Count	0
59882246	XLogP3-AA	0.2
86749	Hydrogen_Bond_Acceptor_Count	1
26660	Non-hydrogen_Atom_Count	13
54475	Hydrogen_Bond_Acceptor_Count	1
5362858	Exact_Mass	101.084063974
155290	TPSA	12.5
89118	Hydrogen_Bond_Acceptor_Count	4
4662	Molecular_Weight	833.4
10291132	Isotope_Atom_Count	1
107970	Undefined_Atom_Stereo_Count	0
11457673	Hydrogen_Bond_Acceptor_Count	1
5702198	Tautomer_Count	1
85872	Undefined_Atom_Stereo_Count	1
1993	Isotope_Atom_Count	0
21391554	Total_Formal_Charge	0
21264915	Structure_Complexity	137
66968933	Covalent_Unit_Count	1
4875	Hydrogen_Bond_Acceptor_Count	1
538333	TPSA	26.3
59296010	XLogP3-AA	3.3
566597	Rotatable_Bond_Count	0
140287425	Hydrogen_Bond_Acceptor_Count	1
128563	Undefined_Atom_Stereo_Count	0
6321412	XLogP3	0.2
28204	Non-hydrogen_Atom_Count	23
14026391	Hydrogen_Bond_Donor_Count	0
37037	Molecular_Weight	395.3
49836020	Undefined_Bond_Stereo_Count	0
91701304	Non-hydrogen_Atom_Count	7
52943334	Defined_Atom_Stereo_Count	1
23691029	Non-hydrogen_Atom_Count	16
5846454	Hydrogen_Bond_Donor_Count	0
54007	XLogP3	2.7
133655777	Isotope_Atom_Count	0
614048	TPSA	92.3
13795006	Undefined_Bond_Stereo_Count	0
9073	Rotatable_Bond_Count	5
34457	Defined_Atom_Stereo_Count	7
10313106	Isotope_Atom_Count	0
60155097	Undefined_Bond_Stereo_Count	0
143342009	Molecular_Weight	95.14
118388035	Hydrogen_Bond_Donor_Count	2
11571555	Mono_Isotopic_Weight	434.06202320
70403801	Covalent_Unit_Count	1
33166	Total_Formal_Charge	0
83059	Molecular_Weight	103.12
77342	Rotatable_Bond_Count	0
88589623	Total_Formal_Charge	0
89576915	Structure_Complexity	120
9818306	XLogP3	2.8
134129846	Undefined_Atom_Stereo_Count	1
450503	Tautomer_Count	1
98044763	Defined_Bond_Stereo_Count	0
53626	Tautomer_Count	1
24180686	Total_Formal_Charge	0
11979961	Undefined_Atom_Stereo_Count	0
6827	XLogP3-AA	6
10269	Defined_Atom_Stereo_Count	0
81530	Non-hydrogen_Atom_Count	9
43966	Rotatable_Bond_Count	4
10221	Molecular_Weight	188.18
24838	Hydrogen_Bond_Donor_Count	0
5359353	Covalent_Unit_Count	1
12353957	Structure_Complexity	84.2
31136	Defined_Bond_Stereo_Count	0
16726873	Molecular_Weight	517.0
447342	Covalent_Unit_Count	1
17855362	Undefined_Atom_Stereo_Count	0
33013	Covalent_Unit_Count	2
10901524	Undefined_Bond_Stereo_Count	0
165870	TPSA	57.5
23262897	Isotope_Atom_Count	0
92163	Total_Formal_Charge	0
21415595	TPSA	9.2
7055	Mono_Isotopic_Weight	142.078250319
139059561	Structure_Complexity	160
74809	Total_Formal_Charge	0
9953630	Undefined_Atom_Stereo_Count	0
139336513	Mono_Isotopic_Weight	112.088815002
15020	Non-hydrogen_Atom_Count	22
118917438	Non-hydrogen_Atom_Count	8
26731	Hydrogen_Bond_Acceptor_Count	2
61900360	Hydrogen_Bond_Donor_Count	1
1024	Total_Formal_Charge	0
70250408	Tautomer_Count	2
142106	TPSA	37.3
19906389	Molecular_Weight	115.17
600269	Isotope_Atom_Count	0
11831	Undefined_Atom_Stereo_Count	0
10108847	Isotope_Atom_Count	0
16130571	Hydrogen_Bond_Donor_Count	49
9934678	Mono_Isotopic_Weight	474.99499
166918	TPSA	6
154461366	Non-hydrogen_Atom_Count	8
85896	Undefined_Bond_Stereo_Count	0
19375416	Mono_Isotopic_Weight	110.073164938
10461508	XLogP3-AA	4.6
129396765	TPSA	180
25778	Structure_Complexity	314
42580058	Total_Formal_Charge	0
134399	Undefined_Bond_Stereo_Count	0
80265	Undefined_Bond_Stereo_Count	0
85792	Non-hydrogen_Atom_Count	14
21209	Undefined_Atom_Stereo_Count	0
21777	Molecular_Weight	211.73
331501	Exact_Mass	112.063662883
5311052	Molecular_Weight	410.9
5374527	XLogP3-AA	3.5
86062	Total_Formal_Charge	0
537025	Undefined_Bond_Stereo_Count	0
573598	Undefined_Atom_Stereo_Count	0
54418364	Isotope_Atom_Count	0
637758	XLogP3	3
15983988	Covalent_Unit_Count	1
5284614	Hydrogen_Bond_Donor_Count	0
3029326	Covalent_Unit_Count	1
74325	Defined_Bond_Stereo_Count	0
10115	Exact_Mass	412.406901659
9867812	Undefined_Atom_Stereo_Count	0
3548422	Defined_Atom_Stereo_Count	0
705935	Total_Formal_Charge	0
90853172	Mono_Isotopic_Weight	112.125200510
44115	Exact_Mass	334.0884336
12905357	Hydrogen_Bond_Donor_Count	9
42504	Defined_Bond_Stereo_Count	0
16211286	Hydrogen_Bond_Acceptor_Count	11
7551	Defined_Atom_Stereo_Count	0
102306506	Defined_Atom_Stereo_Count	4
139042762	Defined_Bond_Stereo_Count	0
26929	Hydrogen_Bond_Acceptor_Count	4
639420	Undefined_Atom_Stereo_Count	0
53822827	Defined_Atom_Stereo_Count	0
67768	Structure_Complexity	159
79056	Defined_Bond_Stereo_Count	0
543	Structure_Complexity	304
400	Defined_Bond_Stereo_Count	0
22856734	Rotatable_Bond_Count	7
107921	Rotatable_Bond_Count	2
14865900	XLogP3-AA	0.2
15739357	Isotope_Atom_Count	0
12200749	Covalent_Unit_Count	1
35781	Molecular_Weight	192.21
6333901	Defined_Bond_Stereo_Count	0
6852400	Molecular_Weight	398.0
4992033	Isotope_Atom_Count	0
23362724	Molecular_Weight	113.12
11268547	Hydrogen_Bond_Donor_Count	2
22753620	Exact_Mass	108.068748264
13123	Molecular_Weight	457.4
3034424	Exact_Mass	196.146329876
10734	Structure_Complexity	154
65109	Isotope_Atom_Count	0
129735833	Non-hydrogen_Atom_Count	11
7979	Isotope_Atom_Count	0
54132691	Hydrogen_Bond_Acceptor_Count	0
586083	Non-hydrogen_Atom_Count	16
636908	Undefined_Atom_Stereo_Count	0
39859	Structure_Complexity	309
15664	Molecular_Weight	184.24
21917310	Undefined_Bond_Stereo_Count	0
123867503	TPSA	0
103439991	Total_Formal_Charge	0
1549107	Defined_Bond_Stereo_Count	2
69684	Exact_Mass	142.110613074
81601	Tautomer_Count	1
4233	Hydrogen_Bond_Donor_Count	0
133562630	Mono_Isotopic_Weight	815.44559113
87279973	Exact_Mass	111.032028402
21242473	Total_Formal_Charge	0
2219	Undefined_Atom_Stereo_Count	3
20387216	Hydrogen_Bond_Donor_Count	0
135413553	Non-hydrogen_Atom_Count	21
10900	Defined_Bond_Stereo_Count	0
813505	TPSA	91.3
12705073	Non-hydrogen_Atom_Count	8
21930509	Hydrogen_Bond_Donor_Count	1
5353627	XLogP3-AA	3.5
57261612	Mono_Isotopic_Weight	109.063997236
23665706	Undefined_Bond_Stereo_Count	0
21333560	Total_Formal_Charge	0
6477186	Covalent_Unit_Count	1
5208	Exact_Mass	288.09977361
10775424	Covalent_Unit_Count	1
68942	Mono_Isotopic_Weight	240.05865769
5477380	Undefined_Atom_Stereo_Count	0
59185552	TPSA	37.4
4358655	Hydrogen_Bond_Acceptor_Count	3
77064	Mono_Isotopic_Weight	88.100048391
3009010	Rotatable_Bond_Count	12
65575106	TPSA	12
117853562	Total_Formal_Charge	0
40657	Rotatable_Bond_Count	11
71066	Defined_Atom_Stereo_Count	0
801	Structure_Complexity	200
15267570	Defined_Bond_Stereo_Count	0
134688044	Isotope_Atom_Count	0
75785	Non-hydrogen_Atom_Count	14
59713	Exact_Mass	332.225248902
54602908	Mono_Isotopic_Weight	426.139632
464	Non-hydrogen_Atom_Count	13
23663989	Tautomer_Count	2
66684386	Hydrogen_Bond_Donor_Count	1
5281042	Molecular_Weight	1029.3
24848177	Defined_Bond_Stereo_Count	1
3034022	Mono_Isotopic_Weight	770.26687344
65287	TPSA	26.3
29307	Defined_Atom_Stereo_Count	0
71945	Tautomer_Count	1
10308720	TPSA	89.6
6186	Molecular_Weight	397.4
10579	Undefined_Atom_Stereo_Count	0
23268890	Mono_Isotopic_Weight	98.036779430
201734	Rotatable_Bond_Count	1
6183479	XLogP3	0.3
130114929	Molecular_Weight	82.10
3082393	Isotope_Atom_Count	0
661093	Hydrogen_Bond_Acceptor_Count	5
70695343	Isotope_Atom_Count	0
66255	XLogP3-AA	3.8
156620984	Non-hydrogen_Atom_Count	28
162807	Covalent_Unit_Count	1
68953	Rotatable_Bond_Count	1
206876	Undefined_Atom_Stereo_Count	0
543885	Molecular_Weight	112.21
11169170	Covalent_Unit_Count	1
33515	TPSA	12.9
639391	Hydrogen_Bond_Acceptor_Count	3
25114553	Defined_Bond_Stereo_Count	0
6587	Hydrogen_Bond_Donor_Count	0
4205037	Hydrogen_Bond_Acceptor_Count	4
89844	Molecular_Weight	558.0
11249	Exact_Mass	84.093900383
8472	Molecular_Weight	124.08
13568	XLogP3-AA	2.3
44201343	Total_Formal_Charge	0
24341	Mono_Isotopic_Weight	51.9715923
6432591	Undefined_Atom_Stereo_Count	0
29396	Undefined_Bond_Stereo_Count	0
36559	Mono_Isotopic_Weight	236.156500638
629281	Structure_Complexity	658
2683	Undefined_Atom_Stereo_Count	0
132399083	XLogP3-AA	2.1
23616669	TPSA	72
9914506	Hydrogen_Bond_Acceptor_Count	6
28187	Total_Formal_Charge	0
8805	Structure_Complexity	222
138125	Hydrogen_Bond_Donor_Count	0
9571009	Non-hydrogen_Atom_Count	14
40703	Undefined_Bond_Stereo_Count	0
108037	Rotatable_Bond_Count	5
8551	Exact_Mass	310.99901381
15940193	Non-hydrogen_Atom_Count	22
6539017	XLogP3-AA	3
1712	Covalent_Unit_Count	1
16212950	Defined_Bond_Stereo_Count	0
4011971	Undefined_Atom_Stereo_Count	0
6540262	Non-hydrogen_Atom_Count	7
85339	TPSA	37.3
150994	Defined_Atom_Stereo_Count	0
32266	Rotatable_Bond_Count	4
19871	XLogP3-AA	2.2
418247	Total_Formal_Charge	0
9543050	Defined_Bond_Stereo_Count	1
139670117	Total_Formal_Charge	0
7838	Non-hydrogen_Atom_Count	8
44246724	Total_Formal_Charge	0
97971	Mono_Isotopic_Weight	233.9850495
29921593	Isotope_Atom_Count	0
104902	Hydrogen_Bond_Donor_Count	1
21026	Non-hydrogen_Atom_Count	11
9568	Mono_Isotopic_Weight	305.1546421
44627	Hydrogen_Bond_Acceptor_Count	3
16760374	Isotope_Atom_Count	0
9912992	Defined_Atom_Stereo_Count	0
130153178	Undefined_Bond_Stereo_Count	0
46964	Isotope_Atom_Count	0
140560	Molecular_Weight	79.10
40467242	Hydrogen_Bond_Acceptor_Count	4
1473879	Rotatable_Bond_Count	3
15209693	Undefined_Atom_Stereo_Count	0
22897807	Hydrogen_Bond_Donor_Count	0
3158	Hydrogen_Bond_Acceptor_Count	2
16437056	Undefined_Bond_Stereo_Count	0
4627783	TPSA	17.1
20194949	Covalent_Unit_Count	1
21706433	Molecular_Weight	99.13
16678045	TPSA	112
44419235	Defined_Bond_Stereo_Count	0
5077	Defined_Bond_Stereo_Count	0
124201453	Molecular_Weight	811.9
6464	Rotatable_Bond_Count	3
289539	Undefined_Bond_Stereo_Count	0
13925935	Covalent_Unit_Count	1
90927	Isotope_Atom_Count	0
71335300	Undefined_Bond_Stereo_Count	0
11387409	Defined_Bond_Stereo_Count	0
16219293	Mono_Isotopic_Weight	337.05488871
71382907	Rotatable_Bond_Count	0
16682993	Defined_Atom_Stereo_Count	0
20749	TPSA	0
19774	Undefined_Bond_Stereo_Count	0
24723	XLogP3	2.3
13659638	Mono_Isotopic_Weight	113.047678466
52918380	Isotope_Atom_Count	0
84647706	Total_Formal_Charge	0
529266	Defined_Bond_Stereo_Count	0
68718	TPSA	193
16052038	Mono_Isotopic_Weight	698.3862143
7140	Undefined_Bond_Stereo_Count	0
8228	Undefined_Bond_Stereo_Count	0
98051218	Undefined_Atom_Stereo_Count	0
200424	Non-hydrogen_Atom_Count	8
298	Isotope_Atom_Count	0
7006711	XLogP3	0.1
10453870	Hydrogen_Bond_Donor_Count	4
5352974	Non-hydrogen_Atom_Count	13
6392641	Structure_Complexity	697
118024074	Molecular_Weight	101.15
208916	Structure_Complexity	153
47319	Tautomer_Count	1
129865974	XLogP3-AA	10.1
63099	TPSA	0
72207871	Covalent_Unit_Count	1
7840	Covalent_Unit_Count	1
70581867	Total_Formal_Charge	0
57397461	Exact_Mass	409.0209280
70677962	Undefined_Bond_Stereo_Count	0
26197	Hydrogen_Bond_Donor_Count	0
153667070	Structure_Complexity	70.5
13898	XLogP3-AA	2.7
26369	Rotatable_Bond_Count	2
161765303	Defined_Bond_Stereo_Count	0
19800669	Defined_Bond_Stereo_Count	0
33557	Defined_Bond_Stereo_Count	0
10498206	Covalent_Unit_Count	1
21824035	Hydrogen_Bond_Acceptor_Count	3
9253	Structure_Complexity	11.6
15783596	Non-hydrogen_Atom_Count	11
216293	Molecular_Weight	812.4
64627	Mono_Isotopic_Weight	356.22122615
9500	TPSA	82
23687713	Molecular_Weight	231.20
156024996	Defined_Bond_Stereo_Count	0
58420421	Exact_Mass	110.084398327
98017	TPSA	55.8
44144	Hydrogen_Bond_Acceptor_Count	5
3155	Structure_Complexity	363
443943	Undefined_Atom_Stereo_Count	0
105035	Defined_Bond_Stereo_Count	0
145971	Isotope_Atom_Count	0
277953	TPSA	38.3
3339	Structure_Complexity	458
6440842	Undefined_Atom_Stereo_Count	1
91942	XLogP3-AA	1.6
1890	XLogP3-AA	2.5
611967	Total_Formal_Charge	0
57394330	XLogP3-AA	2.9
71587831	Isotope_Atom_Count	0
11675054	XLogP3-AA	2.3
91224654	Hydrogen_Bond_Acceptor_Count	0
2775940	Tautomer_Count	1
46620	TPSA	29.5
6440842	Tautomer_Count	2
104798	Isotope_Atom_Count	0
480785	Defined_Bond_Stereo_Count	0
117616350	Defined_Atom_Stereo_Count	6
616172	Defined_Bond_Stereo_Count	0
5880	Defined_Bond_Stereo_Count	0
333942	TPSA	91.8
9549168	TPSA	552
67296898	Structure_Complexity	107
5380976	Undefined_Bond_Stereo_Count	0
73828	Rotatable_Bond_Count	2
1358	Mono_Isotopic_Weight	687.39556167
123134032	Undefined_Bond_Stereo_Count	0
5378708	Non-hydrogen_Atom_Count	42
71464488	Undefined_Bond_Stereo_Count	0
70690637	TPSA	120
70912	Structure_Complexity	177
83827	TPSA	46.6
125353406	Structure_Complexity	151
9948102	Defined_Bond_Stereo_Count	0
91053206	Mono_Isotopic_Weight	1201.84136802
78031	Mono_Isotopic_Weight	229.99456046
88808	Defined_Atom_Stereo_Count	0
10666310	Defined_Atom_Stereo_Count	5
155144825	Total_Formal_Charge	0
11623676	Hydrogen_Bond_Acceptor_Count	2
23649427	XLogP3-AA	2.2
136070	Mono_Isotopic_Weight	130.053098200
9843750	TPSA	98.7
59154494	Hydrogen_Bond_Donor_Count	3
76771	Rotatable_Bond_Count	1
61349	Undefined_Bond_Stereo_Count	0
96335	Defined_Atom_Stereo_Count	0
71459864	Hydrogen_Bond_Acceptor_Count	15
91264731	Covalent_Unit_Count	1
16679	Undefined_Bond_Stereo_Count	0
13795008	Undefined_Atom_Stereo_Count	0
25023855	Covalent_Unit_Count	1
127382	Isotope_Atom_Count	0
213056	Hydrogen_Bond_Acceptor_Count	5
23730803	Hydrogen_Bond_Donor_Count	2
121938	Hydrogen_Bond_Donor_Count	1
13166770	Non-hydrogen_Atom_Count	8
8023	XLogP3	1
2756808	Rotatable_Bond_Count	2
5264	Exact_Mass	465.34573470
135565932	Isotope_Atom_Count	0
165157	Defined_Bond_Stereo_Count	0
76126	Structure_Complexity	160
642157	Rotatable_Bond_Count	0
135992859	Isotope_Atom_Count	0
3034023	Hydrogen_Bond_Donor_Count	1
15222	Total_Formal_Charge	0
94191	Isotope_Atom_Count	0
102119819	Covalent_Unit_Count	1
31279	Mono_Isotopic_Weight	97.089149355
57504266	Total_Formal_Charge	0
14872190	Defined_Bond_Stereo_Count	0
92128	Isotope_Atom_Count	0
11452716	TPSA	150
70686373	Covalent_Unit_Count	1
73196	Exact_Mass	159.068413911
2724640	Defined_Bond_Stereo_Count	0
3333	Defined_Bond_Stereo_Count	0
21670825	Exact_Mass	258.234750957
33311	Defined_Atom_Stereo_Count	0
12877	Hydrogen_Bond_Acceptor_Count	0
91493	Non-hydrogen_Atom_Count	17
70722	Defined_Bond_Stereo_Count	0
59567216	Defined_Bond_Stereo_Count	0
132504339	Hydrogen_Bond_Acceptor_Count	6
70481	Defined_Bond_Stereo_Count	0
95402	Hydrogen_Bond_Acceptor_Count	2
58488970	Exact_Mass	110.109550447
112230	Defined_Bond_Stereo_Count	0
1377	Defined_Atom_Stereo_Count	0
22084	Molecular_Weight	143.23
6424	Defined_Bond_Stereo_Count	0
12357509	Molecular_Weight	102.14
10219	XLogP3-AA	4.7
12550	Hydrogen_Bond_Donor_Count	3
20551532	Molecular_Weight	109.13
10621272	Hydrogen_Bond_Donor_Count	4
6918446	Structure_Complexity	560
1550884	Covalent_Unit_Count	1
137701808	Exact_Mass	639.37711765
53388310	Structure_Complexity	559
53786	Exact_Mass	370.18566972
38455	Non-hydrogen_Atom_Count	21
642110	XLogP3	1.2
57535	Hydrogen_Bond_Acceptor_Count	4
216287	Total_Formal_Charge	0
59372	Molecular_Weight	376.4
54285963	Molecular_Weight	244.29
54502555	Undefined_Atom_Stereo_Count	1
24742076	Structure_Complexity	642
73425066	XLogP3-AA	0
11256664	Non-hydrogen_Atom_Count	26
5903	Structure_Complexity	752
10103877	TPSA	59.4
11332416	TPSA	0
72402	Structure_Complexity	775
9395	Covalent_Unit_Count	1
156285535	Non-hydrogen_Atom_Count	47
124770287	Hydrogen_Bond_Donor_Count	7
11281011	Undefined_Bond_Stereo_Count	0
25137678	Tautomer_Count	1
8748	Covalent_Unit_Count	1
14706	Non-hydrogen_Atom_Count	25
7520	Undefined_Bond_Stereo_Count	0
317062	TPSA	68.8
1548992	Tautomer_Count	6
9446	Defined_Bond_Stereo_Count	0
11158353	Covalent_Unit_Count	1
22630677	Mono_Isotopic_Weight	107.048347172
45139106	TPSA	153
81451	Defined_Bond_Stereo_Count	0
68682560	TPSA	128
1390	TPSA	17.8
21778241	Covalent_Unit_Count	1
12727651	Defined_Atom_Stereo_Count	0
19830152	XLogP3-AA	0
131452193	Molecular_Weight	94.11
8553	Undefined_Bond_Stereo_Count	0
37393	Isotope_Atom_Count	0
246724	Hydrogen_Bond_Donor_Count	0
70119	Structure_Complexity	77
10240775	Exact_Mass	103.063328530
6787	Undefined_Bond_Stereo_Count	0
23092834	Undefined_Bond_Stereo_Count	0
131999	Exact_Mass	326.96354
1482	Total_Formal_Charge	0
135391135	Non-hydrogen_Atom_Count	29
5775	Exact_Mass	281.152812238
186148	Rotatable_Bond_Count	0
18934227	Defined_Atom_Stereo_Count	0
62449	Defined_Bond_Stereo_Count	0
3034394	Exact_Mass	290.260965704
66908	Defined_Bond_Stereo_Count	0
90485	Mono_Isotopic_Weight	206.094294304
84661	Total_Formal_Charge	0
16217535	Defined_Bond_Stereo_Count	0
10964418	Mono_Isotopic_Weight	97.052763847
10240769	Rotatable_Bond_Count	3
964856	Mono_Isotopic_Weight	275.094628657
59119	Mono_Isotopic_Weight	330.10544872
90567	Hydrogen_Bond_Acceptor_Count	1
12271341	Defined_Atom_Stereo_Count	0
69341007	Hydrogen_Bond_Acceptor_Count	2
518700	Hydrogen_Bond_Donor_Count	0
135423375	XLogP3-AA	2.6
21578704	Undefined_Bond_Stereo_Count	0
14852454	Total_Formal_Charge	0
59177	Undefined_Atom_Stereo_Count	1
15632248	Covalent_Unit_Count	1
219408	Structure_Complexity	147
53737226	Hydrogen_Bond_Acceptor_Count	1
41839	Mono_Isotopic_Weight	359.0746777
14966433	Undefined_Atom_Stereo_Count	0
5922	Molecular_Weight	123.11
76196	Molecular_Weight	238.3
138991760	Structure_Complexity	938
45120378	Mono_Isotopic_Weight	111.068413911
854	Exact_Mass	150.05282342
9930121	Molecular_Weight	271.31
138579	Covalent_Unit_Count	1
59317190	XLogP3-AA	2.9
208930	Mono_Isotopic_Weight	290.178298710
154013151	Molecular_Weight	116.11
111206	Undefined_Bond_Stereo_Count	1
429456	Molecular_Weight	106.16
53384918	Isotope_Atom_Count	0
5309581	TPSA	104
547738	Structure_Complexity	76.2
10073773	Rotatable_Bond_Count	5
23618707	Undefined_Bond_Stereo_Count	0
145188444	Molecular_Weight	114.15
1350	Rotatable_Bond_Count	4
68805	Isotope_Atom_Count	0
139057938	Undefined_Bond_Stereo_Count	0
6716	Structure_Complexity	362
629095	XLogP3-AA	4.5
23681059	Rotatable_Bond_Count	3
9820073	Total_Formal_Charge	0
11648276	Structure_Complexity	636
16667736	Defined_Bond_Stereo_Count	2
73216	Non-hydrogen_Atom_Count	11
129821500	Isotope_Atom_Count	0
7295	Mono_Isotopic_Weight	107.9978071
3541	Defined_Bond_Stereo_Count	0
369401	Molecular_Weight	248.28
123964614	Hydrogen_Bond_Acceptor_Count	0
71986	Total_Formal_Charge	0
71645	TPSA	46.5
119747	Rotatable_Bond_Count	11
636857	TPSA	121
41870	Hydrogen_Bond_Donor_Count	1
99868	Hydrogen_Bond_Acceptor_Count	1
99143	Molecular_Weight	210.3
825877	Rotatable_Bond_Count	2
59693921	Mono_Isotopic_Weight	111.043261792
67546	Defined_Atom_Stereo_Count	0
17818	Hydrogen_Bond_Donor_Count	2
19386566	Isotope_Atom_Count	0
12244	Covalent_Unit_Count	1
5251083	TPSA	37.3
5460299	Mono_Isotopic_Weight	146.04533274
69672	Isotope_Atom_Count	0
92145	Covalent_Unit_Count	1
22015566	TPSA	59.2
25079036	Tautomer_Count	996
5962	Tautomer_Count	4
102348331	Hydrogen_Bond_Acceptor_Count	2
142624898	Non-hydrogen_Atom_Count	7
3325225	Hydrogen_Bond_Donor_Count	5
16073659	Hydrogen_Bond_Donor_Count	0
3032571	Exact_Mass	287.886175
551	Hydrogen_Bond_Acceptor_Count	5
10221470	Non-hydrogen_Atom_Count	20
13806	Defined_Bond_Stereo_Count	0
5372922	Covalent_Unit_Count	1
20535601	Undefined_Atom_Stereo_Count	0
5486209	Undefined_Bond_Stereo_Count	0
8254	XLogP3-AA	0.1
6400264	Covalent_Unit_Count	1
149164152	Defined_Bond_Stereo_Count	0
132252	TPSA	67.8
227112	Defined_Bond_Stereo_Count	0
1164	Mono_Isotopic_Weight	566.05502130
6918026	Defined_Atom_Stereo_Count	8
4952	Molecular_Weight	336.5
12676503	Rotatable_Bond_Count	1
84141	Defined_Bond_Stereo_Count	0
73426	TPSA	49.8
94948	Exact_Mass	253.03750770
5353758	Tautomer_Count	4
5497143	Defined_Bond_Stereo_Count	1
21844441	Isotope_Atom_Count	0
87060437	Structure_Complexity	688
22385729	Defined_Atom_Stereo_Count	0
11829372	Total_Formal_Charge	0
5062	Undefined_Atom_Stereo_Count	5
25008767	Undefined_Atom_Stereo_Count	0
5282474	Total_Formal_Charge	0
53235510	TPSA	95.1
44623071	Exact_Mass	19.042879212
160889158	Mono_Isotopic_Weight	113.058911855
58137137	Rotatable_Bond_Count	5
15301	Isotope_Atom_Count	0
71242808	Total_Formal_Charge	0
419176	Defined_Atom_Stereo_Count	0
20309174	Defined_Bond_Stereo_Count	0
18769554	Isotope_Atom_Count	0
47670	Exact_Mass	325.17902698
3862646	Mono_Isotopic_Weight	612.7618
314195	Exact_Mass	110.073164938
154342	Tautomer_Count	3
596688	Mono_Isotopic_Weight	195.100776666
41124	Structure_Complexity	138
23681382	Rotatable_Bond_Count	1
50299	Mono_Isotopic_Weight	432.16314001
78949	Rotatable_Bond_Count	1
2898	Undefined_Atom_Stereo_Count	0
5460482	XLogP3-AA	0.9
133667882	Undefined_Bond_Stereo_Count	0
11316094	Undefined_Atom_Stereo_Count	0
483998	Total_Formal_Charge	0
165340026	Undefined_Bond_Stereo_Count	0
84063996	Defined_Atom_Stereo_Count	0
6992027	Hydrogen_Bond_Acceptor_Count	7
6424	TPSA	20.2
12000240	Tautomer_Count	24
9823775	Mono_Isotopic_Weight	426.17908655
76619	Hydrogen_Bond_Acceptor_Count	2
3938668	Rotatable_Bond_Count	15
90773	Defined_Atom_Stereo_Count	0
19988	Structure_Complexity	462
91420197	TPSA	58.3
140181	Undefined_Bond_Stereo_Count	0
73272	Hydrogen_Bond_Donor_Count	2
34359	TPSA	116
52865	Total_Formal_Charge	0
62398693	Hydrogen_Bond_Donor_Count	1
54385	Isotope_Atom_Count	0
10460376	Defined_Bond_Stereo_Count	0
56720	Undefined_Bond_Stereo_Count	0
8101	Defined_Bond_Stereo_Count	0
2539	Undefined_Atom_Stereo_Count	6
89143843	Total_Formal_Charge	0
159736	Total_Formal_Charge	0
19754593	Defined_Bond_Stereo_Count	0
10578	Defined_Atom_Stereo_Count	0
100957201	Isotope_Atom_Count	0
686807	Isotope_Atom_Count	0
97297	Tautomer_Count	4
159603	Isotope_Atom_Count	0
135415868	Structure_Complexity	865
156963480	XLogP3-AA	1.8
56473	Hydrogen_Bond_Donor_Count	0
21766329	Non-hydrogen_Atom_Count	8
3000926	Exact_Mass	335.0746777
61285	Hydrogen_Bond_Acceptor_Count	3
83242	XLogP3	2.4
9912	Structure_Complexity	548
62232962	Exact_Mass	112.052429494
14912114	Undefined_Bond_Stereo_Count	0
9942657	Defined_Atom_Stereo_Count	0
556685	Structure_Complexity	76.2
10201696	TPSA	88.5
2604	Molecular_Weight	268.31
250716	Rotatable_Bond_Count	2
14959372	Exact_Mass	215.094628657
25185	Structure_Complexity	170
688492	Hydrogen_Bond_Donor_Count	1
45006167	Exact_Mass	376.20498756
104181	Defined_Atom_Stereo_Count	0
81749	Total_Formal_Charge	0
6080476	Undefined_Atom_Stereo_Count	1
5311341	Mono_Isotopic_Weight	547.0056167
90243427	Isotope_Atom_Count	0
21879940	Molecular_Weight	214.35
31237	Hydrogen_Bond_Donor_Count	0
254598	Molecular_Weight	422.5
136504	Molecular_Weight	97.09
23332	Structure_Complexity	604
57258849	Defined_Atom_Stereo_Count	0
67517	Rotatable_Bond_Count	0
6433164	Hydrogen_Bond_Donor_Count	0
89129456	Molecular_Weight	115.13
798232	Undefined_Bond_Stereo_Count	0
166581	Tautomer_Count	44
11921	Defined_Bond_Stereo_Count	0
84647714	Defined_Atom_Stereo_Count	0
14118154	Defined_Atom_Stereo_Count	0
23690996	Non-hydrogen_Atom_Count	8
735091	Non-hydrogen_Atom_Count	16
108850	Rotatable_Bond_Count	1
9888618	Hydrogen_Bond_Acceptor_Count	6
15947217	Undefined_Atom_Stereo_Count	0
91017818	Structure_Complexity	75.6
2735122	Hydrogen_Bond_Donor_Count	0
34452	Molecular_Weight	344.43
6604334	Defined_Atom_Stereo_Count	19
821645	Defined_Bond_Stereo_Count	1
534235	Exact_Mass	100.088815002
60904070	Isotope_Atom_Count	0
73648	Defined_Bond_Stereo_Count	0
662452	TPSA	132
12452068	Molecular_Weight	108.14
87279974	Structure_Complexity	96
71777705	Covalent_Unit_Count	1
138442	Defined_Bond_Stereo_Count	0
12085	TPSA	37.3
107975	Undefined_Bond_Stereo_Count	2
28145931	Structure_Complexity	437
163468867	Total_Formal_Charge	0
545093	Hydrogen_Bond_Acceptor_Count	1
12777	Undefined_Atom_Stereo_Count	1
87323	Defined_Bond_Stereo_Count	0
133741	Molecular_Weight	276.37
32283	Hydrogen_Bond_Acceptor_Count	2
24191118	Exact_Mass	296.939948
12594991	Non-hydrogen_Atom_Count	6
719018	Exact_Mass	200.9748192
68075820	Defined_Atom_Stereo_Count	0
6175	Total_Formal_Charge	0
9837916	Defined_Atom_Stereo_Count	1
18541939	Hydrogen_Bond_Acceptor_Count	2
11858	Defined_Bond_Stereo_Count	0
2762874	Hydrogen_Bond_Donor_Count	0
9820186	Total_Formal_Charge	0
21998683	Total_Formal_Charge	0
16667743	Undefined_Atom_Stereo_Count	0
4475481	Defined_Bond_Stereo_Count	0
4830	Isotope_Atom_Count	0
10034577	Isotope_Atom_Count	0
132281459	Covalent_Unit_Count	2
7439	Isotope_Atom_Count	0
371256	Isotope_Atom_Count	0
67431	Defined_Atom_Stereo_Count	0
80603	Rotatable_Bond_Count	1
153977505	Undefined_Bond_Stereo_Count	0
16363	Isotope_Atom_Count	0
20129993	Rotatable_Bond_Count	3
5388957	Structure_Complexity	962
118374185	Mono_Isotopic_Weight	100.100048391
15559312	Isotope_Atom_Count	0
19601937	Defined_Bond_Stereo_Count	0
10011883	Isotope_Atom_Count	0
6004	TPSA	72
85826247	Exact_Mass	114.068079557
628949	Tautomer_Count	3
53485229	Undefined_Atom_Stereo_Count	0
80165	Exact_Mass	184.182715385
130023	Molecular_Weight	207.25
10965866	Hydrogen_Bond_Donor_Count	0
55299847	Defined_Bond_Stereo_Count	0
24746982	Defined_Bond_Stereo_Count	0
13611188	Exact_Mass	108.093900383
21800	Non-hydrogen_Atom_Count	36
445715	Non-hydrogen_Atom_Count	10
2844	Molecular_Weight	612.7
9798547	Covalent_Unit_Count	1
91670	XLogP3	4.2
5281004	Defined_Atom_Stereo_Count	8
182391	Hydrogen_Bond_Acceptor_Count	3
71517531	TPSA	114
14257662	Defined_Bond_Stereo_Count	0
91687	Exact_Mass	367.0232505
15681557	TPSA	106
67970	Hydrogen_Bond_Acceptor_Count	2
3000226	Isotope_Atom_Count	0
817470	Total_Formal_Charge	0
75406495	Mono_Isotopic_Weight	112.052429494
53701761	Defined_Bond_Stereo_Count	0
20838085	Covalent_Unit_Count	2
22603659	Mono_Isotopic_Weight	109.052763847
5667	Isotope_Atom_Count	0
162461	Mono_Isotopic_Weight	213.115364102
123561814	Defined_Bond_Stereo_Count	0
67668	Structure_Complexity	231
6989253	Undefined_Bond_Stereo_Count	0
21786118	TPSA	83.2
408763	Defined_Bond_Stereo_Count	0
36572	Hydrogen_Bond_Donor_Count	0
12642	Undefined_Atom_Stereo_Count	1
11239	XLogP3-AA	2.2
44392111	Exact_Mass	485.26784199
16741878	Defined_Bond_Stereo_Count	1
60153262	Structure_Complexity	440
16644	Defined_Bond_Stereo_Count	0
12285868	Structure_Complexity	151
124013	Molecular_Weight	319.18
9568628	Covalent_Unit_Count	1
10351670	Defined_Atom_Stereo_Count	0
20371324	Mono_Isotopic_Weight	116.058577502
6439420	Mono_Isotopic_Weight	428.14396435
85025	Total_Formal_Charge	0
135491830	Defined_Bond_Stereo_Count	1
18377249	Rotatable_Bond_Count	2
8015	Mono_Isotopic_Weight	68.037448136
102533943	Hydrogen_Bond_Donor_Count	2
53846427	Covalent_Unit_Count	1
10572530	Rotatable_Bond_Count	4
21584622	Non-hydrogen_Atom_Count	47
161760	Undefined_Atom_Stereo_Count	1
75821	Total_Formal_Charge	0
42153	Rotatable_Bond_Count	3
448400	Molecular_Weight	248.11
57401205	Undefined_Atom_Stereo_Count	1
15812317	Structure_Complexity	96.4
65327	Mono_Isotopic_Weight	302.1549764
4652	Non-hydrogen_Atom_Count	13
92043424	Structure_Complexity	3290
6434217	Undefined_Atom_Stereo_Count	2
566433	TPSA	26.3
3115	Defined_Bond_Stereo_Count	0
444863	TPSA	90.2
24867529	Defined_Atom_Stereo_Count	8
135449327	Defined_Bond_Stereo_Count	0
19223	Covalent_Unit_Count	1
5329106	Defined_Atom_Stereo_Count	0
535535	Exact_Mass	120.95271
23674215	Defined_Atom_Stereo_Count	0
2776381	XLogP3	0.5
29566	TPSA	116
12339648	Non-hydrogen_Atom_Count	11
146156970	Rotatable_Bond_Count	26
129695690	Undefined_Atom_Stereo_Count	2
134695356	XLogP3-AA	4.8
12205	Hydrogen_Bond_Donor_Count	4
64992	Structure_Complexity	467
107561	Tautomer_Count	8
9847241	Covalent_Unit_Count	2
441853	Defined_Atom_Stereo_Count	12
13373005	Molecular_Weight	434.4
67175581	Defined_Atom_Stereo_Count	0
71153	Structure_Complexity	370
46244259	Defined_Bond_Stereo_Count	0
22719613	Undefined_Bond_Stereo_Count	0
656628	Defined_Atom_Stereo_Count	1
49853967	Non-hydrogen_Atom_Count	26
60196386	Mono_Isotopic_Weight	287.12375561
383414	Mono_Isotopic_Weight	1018.44048069
10176670	Rotatable_Bond_Count	1
135686255	Structure_Complexity	342
156465	Tautomer_Count	423
77568	Covalent_Unit_Count	1
14388559	Exact_Mass	113.058911855
18944758	Undefined_Bond_Stereo_Count	0
25008765	Undefined_Atom_Stereo_Count	0
5320621	Isotope_Atom_Count	0
12336279	Defined_Atom_Stereo_Count	0
5702236	Defined_Atom_Stereo_Count	0
70510	Tautomer_Count	7
36462	Defined_Atom_Stereo_Count	10
11294	Rotatable_Bond_Count	3
91766	Rotatable_Bond_Count	4
16049158	Structure_Complexity	549
73181638	Exact_Mass	402.20423867
25114553	Mono_Isotopic_Weight	492.25973691
1130	Isotope_Atom_Count	0
69674285	Hydrogen_Bond_Acceptor_Count	1
6437356	Molecular_Weight	250.19
528405	Defined_Atom_Stereo_Count	0
176960	Total_Formal_Charge	0
5460544	Undefined_Atom_Stereo_Count	0
21885	XLogP3	1.6
184934	Defined_Bond_Stereo_Count	0
79510	Mono_Isotopic_Weight	156.02834000
135424770	TPSA	50.7
87905888	Rotatable_Bond_Count	2
824060	Hydrogen_Bond_Acceptor_Count	7
15775	Tautomer_Count	1
106824195	Undefined_Bond_Stereo_Count	0
7454	Undefined_Bond_Stereo_Count	0
14892	Covalent_Unit_Count	2
5289159	Total_Formal_Charge	1
14440697	Mono_Isotopic_Weight	364.10592162
30373	Isotope_Atom_Count	0
71759	TPSA	48.9
84640	Non-hydrogen_Atom_Count	8
16683704	Hydrogen_Bond_Donor_Count	1
98493	Non-hydrogen_Atom_Count	7
735833	Tautomer_Count	1
18000118	Molecular_Weight	101.15
76871762	Covalent_Unit_Count	2
9955820	Defined_Atom_Stereo_Count	0
67954811	Covalent_Unit_Count	1
60857	Isotope_Atom_Count	0
5362485	Exact_Mass	157.8433176
78160	Non-hydrogen_Atom_Count	9
415984	Isotope_Atom_Count	0
78368	Undefined_Atom_Stereo_Count	0
317543	Hydrogen_Bond_Acceptor_Count	1
2795425	Structure_Complexity	123
12394645	Defined_Atom_Stereo_Count	0
140511	Defined_Atom_Stereo_Count	0
15575619	Rotatable_Bond_Count	8
13027931	Covalent_Unit_Count	1
7644	Total_Formal_Charge	0
59519119	Total_Formal_Charge	0
101921	Isotope_Atom_Count	0
60196320	Exact_Mass	259.1339066
7216	Hydrogen_Bond_Donor_Count	0
11349505	Rotatable_Bond_Count	6
21921	Structure_Complexity	6
25222248	Non-hydrogen_Atom_Count	25
12545984	Defined_Atom_Stereo_Count	0
114523	XLogP3-AA	2.6
97832	Defined_Atom_Stereo_Count	0
101684738	Total_Formal_Charge	0
11915	Defined_Atom_Stereo_Count	0
12310947	Molecular_Weight	364.9
12257272	Defined_Bond_Stereo_Count	0
134693946	Total_Formal_Charge	0
5388936	Defined_Bond_Stereo_Count	0
136729	Structure_Complexity	66.4
47519	TPSA	18.5
105085	Covalent_Unit_Count	1
23677927	Tautomer_Count	1
12285890	Undefined_Atom_Stereo_Count	1
132274082	Undefined_Atom_Stereo_Count	2
17779928	Hydrogen_Bond_Acceptor_Count	0
68546	Defined_Atom_Stereo_Count	0
32593	Total_Formal_Charge	0
16215374	Undefined_Bond_Stereo_Count	0
750179	Undefined_Bond_Stereo_Count	0
59392023	Isotope_Atom_Count	0
60196399	TPSA	106
57871279	Covalent_Unit_Count	1
11255	Hydrogen_Bond_Donor_Count	0
53394122	XLogP3-AA	3.1
159324	Isotope_Atom_Count	0
14069104	Structure_Complexity	148
228289	Hydrogen_Bond_Donor_Count	0
1815	Mono_Isotopic_Weight	417.07372967
22718889	Defined_Atom_Stereo_Count	0
154132	TPSA	58.2
12362	Undefined_Atom_Stereo_Count	0
637796	Defined_Bond_Stereo_Count	1
8786	Isotope_Atom_Count	0
9942133	Covalent_Unit_Count	1
699683	Hydrogen_Bond_Donor_Count	0
2950966	Hydrogen_Bond_Acceptor_Count	3
3047809	TPSA	101
28280	Hydrogen_Bond_Donor_Count	6
23723	Mono_Isotopic_Weight	301.99822164
24206429	Tautomer_Count	1
223866	Hydrogen_Bond_Donor_Count	3
12004215	TPSA	487
7895	Hydrogen_Bond_Donor_Count	0
8381	XLogP3-AA	3.3
25181577	Isotope_Atom_Count	0
3507056	Mono_Isotopic_Weight	833.6394
316542	Hydrogen_Bond_Donor_Count	2
11567907	Non-hydrogen_Atom_Count	30
10017965	Covalent_Unit_Count	1
137704662	Mono_Isotopic_Weight	528.21078060
79875564	Molecular_Weight	97.16
137240	Hydrogen_Bond_Donor_Count	0
5963	Defined_Atom_Stereo_Count	0
6432459	Covalent_Unit_Count	1
6321414	Mono_Isotopic_Weight	557.12501980
2617	Isotope_Atom_Count	0
10964444	Exact_Mass	112.088815002
543151	Undefined_Atom_Stereo_Count	2
11418570	Mono_Isotopic_Weight	414.0859971
73185506	Undefined_Bond_Stereo_Count	1
62210	Undefined_Bond_Stereo_Count	0
42609805	Hydrogen_Bond_Acceptor_Count	14
520682	Covalent_Unit_Count	1
638132	Covalent_Unit_Count	1
11350701	Defined_Bond_Stereo_Count	0
11083834	Undefined_Bond_Stereo_Count	0
27428	Defined_Atom_Stereo_Count	0
92108	Covalent_Unit_Count	1
71587865	Molecular_Weight	380.9
6538	Isotope_Atom_Count	0
23692128	Non-hydrogen_Atom_Count	48
60196296	Mono_Isotopic_Weight	290.973295
65115	Defined_Bond_Stereo_Count	0
6436605	Undefined_Atom_Stereo_Count	1
3776755	Isotope_Atom_Count	0
6795	Molecular_Weight	184.24
57825223	Undefined_Bond_Stereo_Count	0
12021	Undefined_Atom_Stereo_Count	0
5281899	Isotope_Atom_Count	0
115098	Defined_Atom_Stereo_Count	4
23305495	Undefined_Atom_Stereo_Count	2
688303	Hydrogen_Bond_Donor_Count	0
148022	Structure_Complexity	119
13349550	Structure_Complexity	150
12540922	Rotatable_Bond_Count	0
72604488	Structure_Complexity	88.2
3762	Undefined_Bond_Stereo_Count	0
21242611	Rotatable_Bond_Count	14
72378	Isotope_Atom_Count	0
1584822	Isotope_Atom_Count	0
3009363	Covalent_Unit_Count	1
122195	Defined_Atom_Stereo_Count	6
10250607	Molecular_Weight	403.9
14251035	Covalent_Unit_Count	1
10040	Defined_Atom_Stereo_Count	0
8146	Undefined_Bond_Stereo_Count	0
9887867	Hydrogen_Bond_Acceptor_Count	2
243400	Undefined_Bond_Stereo_Count	0
657201	Total_Formal_Charge	0
134854766	Total_Formal_Charge	0
13848133	Hydrogen_Bond_Acceptor_Count	1
23928102	Defined_Bond_Stereo_Count	1
460917	Non-hydrogen_Atom_Count	21
1474	Mono_Isotopic_Weight	156.068748264
4323059	Exact_Mass	138.05932639
5318169	Covalent_Unit_Count	1
163677749	XLogP3-AA	0.7
7892	XLogP3-AA	3.2
657	Hydrogen_Bond_Donor_Count	7
159652940	Undefined_Atom_Stereo_Count	0
6027	Isotope_Atom_Count	0
98181812	Covalent_Unit_Count	1
10407120	Total_Formal_Charge	0
130027214	Molecular_Weight	109.13
15186998	Hydrogen_Bond_Acceptor_Count	1
5460765	Structure_Complexity	405
15123308	Undefined_Bond_Stereo_Count	0
8797	Non-hydrogen_Atom_Count	11
7394	Tautomer_Count	1
5251857	Rotatable_Bond_Count	2
101181995	XLogP3-AA	6.2
25110841	Molecular_Weight	552.4
3396	Total_Formal_Charge	0
59110799	Defined_Atom_Stereo_Count	0
32966	Defined_Atom_Stereo_Count	0
53319739	Covalent_Unit_Count	1
16406	Rotatable_Bond_Count	5
316745	TPSA	29.5
694358	Mono_Isotopic_Weight	320.0208685
88467	Exact_Mass	174.08920892
125461340	Molecular_Weight	665.7
72200930	Defined_Bond_Stereo_Count	0
52970	Total_Formal_Charge	0
15295	Exact_Mass	158.01328108
135509117	Exact_Mass	810.43027542
47116597	Total_Formal_Charge	0
37251	Non-hydrogen_Atom_Count	20
70699	Rotatable_Bond_Count	0
78157544	Total_Formal_Charge	0
5327159	Covalent_Unit_Count	1
3038517	Exact_Mass	667.20648198
657378	XLogP3	0.9
31244	Undefined_Atom_Stereo_Count	0
58606855	Hydrogen_Bond_Donor_Count	0
85530905	Structure_Complexity	106
34231	Isotope_Atom_Count	0
19607	Rotatable_Bond_Count	8
5288365	Covalent_Unit_Count	1
6433272	Undefined_Bond_Stereo_Count	0
19595920	Defined_Bond_Stereo_Count	0
14962	Defined_Bond_Stereo_Count	0
825744	XLogP3-AA	3.6
11815284	XLogP3-AA	0.7
40807	Undefined_Atom_Stereo_Count	0
14301363	Mono_Isotopic_Weight	408.28757437
5461103	Molecular_Weight	273.28
5311066	Non-hydrogen_Atom_Count	30
542	Isotope_Atom_Count	0
15691707	Undefined_Bond_Stereo_Count	0
2570	Rotatable_Bond_Count	2
688930	Non-hydrogen_Atom_Count	20
22805729	Hydrogen_Bond_Acceptor_Count	8
35	Exact_Mass	175.9876363
121267708	Defined_Atom_Stereo_Count	0
23680156	Defined_Atom_Stereo_Count	0
8121	XLogP3-AA	0
13548212	XLogP3-AA	0.6
11392	Mono_Isotopic_Weight	173.047678466
3349	Total_Formal_Charge	0
71311162	Structure_Complexity	385
24748573	Total_Formal_Charge	0
10755924	Total_Formal_Charge	0
21331354	Undefined_Atom_Stereo_Count	1
9859210	Defined_Bond_Stereo_Count	0
62823	Defined_Atom_Stereo_Count	0
4910	TPSA	29.5
71671	Structure_Complexity	255
189594	Undefined_Bond_Stereo_Count	0
2762	TPSA	88.4
54392263	Total_Formal_Charge	0
21328181	Hydrogen_Bond_Acceptor_Count	3
3132	Hydrogen_Bond_Acceptor_Count	4
13618	TPSA	20.2
13507601	Hydrogen_Bond_Donor_Count	1
13170124	Isotope_Atom_Count	0
13765439	Defined_Atom_Stereo_Count	0
95069	Non-hydrogen_Atom_Count	17
20393	Covalent_Unit_Count	1
6535	Covalent_Unit_Count	1
79316	Defined_Atom_Stereo_Count	0
2352	Undefined_Atom_Stereo_Count	6
123242204	Molecular_Weight	114.14
7819	XLogP3	2.2
2324	Hydrogen_Bond_Acceptor_Count	8
129893562	Mono_Isotopic_Weight	1347.582715
91582439	Defined_Bond_Stereo_Count	0
524894	Mono_Isotopic_Weight	90.068079557
447569	TPSA	75.8
79707	Non-hydrogen_Atom_Count	10
7566942	Structure_Complexity	382
16049374	Mono_Isotopic_Weight	481.1260618
25171662	Isotope_Atom_Count	0
342238	Structure_Complexity	105
633366	Molecular_Weight	382.2
3710	Molecular_Weight	380.4
60196372	Rotatable_Bond_Count	0
71335	Structure_Complexity	679
448285	Mono_Isotopic_Weight	359.1070404
97627	Structure_Complexity	398
50989756	Isotope_Atom_Count	0
13898	Rotatable_Bond_Count	0
69967	Covalent_Unit_Count	1
54487968	Mono_Isotopic_Weight	110.109550447
18717714	Defined_Bond_Stereo_Count	0
58390642	Non-hydrogen_Atom_Count	8
132939820	Mono_Isotopic_Weight	181.06674293
15311935	Non-hydrogen_Atom_Count	8
2225	Rotatable_Bond_Count	7
6912404	Undefined_Atom_Stereo_Count	0
19254	Molecular_Weight	262.30
51138321	Molecular_Weight	106.13
71470	Exact_Mass	518.26798174
71449859	Mono_Isotopic_Weight	600.2018590
4827	Mono_Isotopic_Weight	479.17835
81239	Undefined_Atom_Stereo_Count	0
223441	TPSA	54.5
89312617	Defined_Atom_Stereo_Count	0
13242839	Total_Formal_Charge	0
11829356	Structure_Complexity	67.9
10307909	Structure_Complexity	219
8048	Undefined_Bond_Stereo_Count	0
82953	Exact_Mass	268.019149
12736014	TPSA	88.1
10887840	Defined_Atom_Stereo_Count	0
16212360	Defined_Bond_Stereo_Count	0
102118	Exact_Mass	444.06926132
19159	Non-hydrogen_Atom_Count	21
2479	Undefined_Atom_Stereo_Count	1
2768	Defined_Bond_Stereo_Count	0
24883467	Tautomer_Count	1
21401558	Defined_Atom_Stereo_Count	0
90617	Undefined_Atom_Stereo_Count	0
801164	Non-hydrogen_Atom_Count	22
19905962	Molecular_Weight	114.14
66558664	Non-hydrogen_Atom_Count	42
56841862	Hydrogen_Bond_Donor_Count	3
92131209	Hydrogen_Bond_Donor_Count	6
124723	Hydrogen_Bond_Acceptor_Count	3
58040	Undefined_Atom_Stereo_Count	1
41980	Exact_Mass	232.109944368
520381	Undefined_Atom_Stereo_Count	6
27941	Non-hydrogen_Atom_Count	12
101348253	Undefined_Bond_Stereo_Count	0
49869312	Defined_Atom_Stereo_Count	0
11646829	Defined_Bond_Stereo_Count	0
134688691	Total_Formal_Charge	0
5494425	Defined_Atom_Stereo_Count	0
9934032	Defined_Bond_Stereo_Count	0
38768	Rotatable_Bond_Count	6
640096	Undefined_Atom_Stereo_Count	0
3714831	Total_Formal_Charge	0
442372	Undefined_Bond_Stereo_Count	0
8699	Defined_Atom_Stereo_Count	0
265370	TPSA	20.1
62466	Defined_Bond_Stereo_Count	0
3352	TPSA	104
6492	Isotope_Atom_Count	0
68260574	Undefined_Bond_Stereo_Count	0
15565287	Molecular_Weight	108.18
6436223	Hydrogen_Bond_Donor_Count	4
36231	Exact_Mass	359.841466
3985	Rotatable_Bond_Count	26
24748573	Exact_Mass	349.0618043
80873	Structure_Complexity	241
5289332	Hydrogen_Bond_Acceptor_Count	5
70480837	Mono_Isotopic_Weight	109.027611728
12872199	Exact_Mass	112.052429494
135421783	Total_Formal_Charge	1
71583377	Hydrogen_Bond_Donor_Count	3
2108	Molecular_Weight	194.18
317681	XLogP3-AA	1.5
5463134	Defined_Atom_Stereo_Count	0
21271257	Mono_Isotopic_Weight	108.032362755
24456	Hydrogen_Bond_Acceptor_Count	8
44310721	XLogP3-AA	1.3
439369	Isotope_Atom_Count	0
16221343	Total_Formal_Charge	0
6659	Defined_Atom_Stereo_Count	0
15942672	Isotope_Atom_Count	0
4168142	Defined_Atom_Stereo_Count	0
86076173	Undefined_Atom_Stereo_Count	0
5378597	Undefined_Bond_Stereo_Count	0
9927058	TPSA	92.2
77530	Mono_Isotopic_Weight	299.70085
547110	Hydrogen_Bond_Acceptor_Count	4
1549062	Defined_Atom_Stereo_Count	0
414244	Molecular_Weight	117.15
6950199	Undefined_Atom_Stereo_Count	0
3736298	Isotope_Atom_Count	0
157787142	TPSA	61.7
74041115	TPSA	0
57304287	Total_Formal_Charge	0
136716	Rotatable_Bond_Count	0
12370	Exact_Mass	110.109550447
73759973	Rotatable_Bond_Count	1
1444	Defined_Atom_Stereo_Count	0
449435	Exact_Mass	591.23157562
139079642	Hydrogen_Bond_Acceptor_Count	1
12360	Covalent_Unit_Count	1
65937	Tautomer_Count	2
12486215	Undefined_Atom_Stereo_Count	0
6947362	Mono_Isotopic_Weight	322.168127949
12373717	Undefined_Bond_Stereo_Count	0
24840945	Exact_Mass	127.099714038
53317120	Total_Formal_Charge	0
3662392	Undefined_Atom_Stereo_Count	0
1335	Hydrogen_Bond_Donor_Count	4
14543958	Covalent_Unit_Count	1
71209	Tautomer_Count	2
87428	TPSA	27.7
701	Undefined_Atom_Stereo_Count	1
30196	TPSA	57.5
845588	Defined_Bond_Stereo_Count	0
19793984	Undefined_Bond_Stereo_Count	0
3055174	Exact_Mass	468.23234512
54758035	Non-hydrogen_Atom_Count	35
66081	Tautomer_Count	1
290807	Exact_Mass	115.099714038
53480	Hydrogen_Bond_Acceptor_Count	1
74791	XLogP3	3.7
87363	Total_Formal_Charge	0
114948	Mono_Isotopic_Weight	577.32641949
129627867	Rotatable_Bond_Count	5
189821	Defined_Bond_Stereo_Count	0
16078	Non-hydrogen_Atom_Count	23
53627567	Hydrogen_Bond_Donor_Count	0
7751	Undefined_Bond_Stereo_Count	0
102993	Defined_Atom_Stereo_Count	0
86230	Covalent_Unit_Count	1
13216994	Defined_Bond_Stereo_Count	0
16757820	Non-hydrogen_Atom_Count	26
2733514	Covalent_Unit_Count	1
91027594	TPSA	0
1551553	XLogP3-AA	0.3
70724	Undefined_Atom_Stereo_Count	0
6047	Structure_Complexity	209
13401731	Total_Formal_Charge	0
5281794	Defined_Atom_Stereo_Count	0
10315	Non-hydrogen_Atom_Count	11
60796	XLogP3-AA	3.1
130125724	Non-hydrogen_Atom_Count	8
23545756	Total_Formal_Charge	0
3799953	Molecular_Weight	78.16
7346	Defined_Bond_Stereo_Count	0
106	Hydrogen_Bond_Acceptor_Count	7
21152	Tautomer_Count	1
67215	XLogP3	5.3
17833	Defined_Atom_Stereo_Count	0
54074602	XLogP3-AA	1.4
69862751	Exact_Mass	128.0545783
19212	Mono_Isotopic_Weight	464.31378912
44563144	Total_Formal_Charge	0
6914	Defined_Bond_Stereo_Count	0
16019977	Hydrogen_Bond_Acceptor_Count	0
24461	TPSA	80.3
533876	Isotope_Atom_Count	0
538757	Mono_Isotopic_Weight	144.04225873
15830	Hydrogen_Bond_Acceptor_Count	2
9933415	Isotope_Atom_Count	0
15038	Structure_Complexity	383
5289162	Defined_Atom_Stereo_Count	0
71545	Hydrogen_Bond_Donor_Count	0
5498	Defined_Atom_Stereo_Count	0
135565674	Total_Formal_Charge	0
107275	Undefined_Atom_Stereo_Count	2
1035	Rotatable_Bond_Count	12
71793	Hydrogen_Bond_Acceptor_Count	4
160508452	Defined_Bond_Stereo_Count	0
5311035	Covalent_Unit_Count	1
12934018	Covalent_Unit_Count	1
57586319	Undefined_Bond_Stereo_Count	0
12200971	Non-hydrogen_Atom_Count	8
10108847	Rotatable_Bond_Count	5
66903	Total_Formal_Charge	0
98282	Isotope_Atom_Count	0
88977	Exact_Mass	324.314063904
51935	Defined_Bond_Stereo_Count	0
120741	Hydrogen_Bond_Donor_Count	1
53346581	Undefined_Atom_Stereo_Count	0
89494913	Hydrogen_Bond_Acceptor_Count	2
53825954	TPSA	101
8491	Defined_Bond_Stereo_Count	0
6070	Undefined_Atom_Stereo_Count	0
12309460	Molecular_Weight	406.9
39622	Mono_Isotopic_Weight	337.11142153
22034820	Hydrogen_Bond_Acceptor_Count	2
13925935	Hydrogen_Bond_Donor_Count	0
12085	Undefined_Bond_Stereo_Count	0
22975832	Non-hydrogen_Atom_Count	7
8186	Isotope_Atom_Count	0
20226552	Exact_Mass	112.027277375
272626	Defined_Bond_Stereo_Count	0
140552347	XLogP3-AA	0.1
64560	Tautomer_Count	1
134715568	Undefined_Bond_Stereo_Count	0
75320	Total_Formal_Charge	0
62414	Hydrogen_Bond_Acceptor_Count	6
19390240	Undefined_Atom_Stereo_Count	0
34474	Isotope_Atom_Count	0
13200773	TPSA	20.2
9793926	Hydrogen_Bond_Donor_Count	1
4295	Defined_Atom_Stereo_Count	0
70696694	Isotope_Atom_Count	0
656823	Hydrogen_Bond_Acceptor_Count	8
39622	Defined_Atom_Stereo_Count	0
736331	Structure_Complexity	265
31304	Non-hydrogen_Atom_Count	43
7852	TPSA	26
7021156	Undefined_Atom_Stereo_Count	0
23677323	Covalent_Unit_Count	2
66586378	Covalent_Unit_Count	1
2762894	TPSA	38.9
31272	XLogP3	1.8
74523	Hydrogen_Bond_Donor_Count	2
14555267	Hydrogen_Bond_Donor_Count	1
44755151	Exact_Mass	368.01339457
601439	Rotatable_Bond_Count	2
7196	Tautomer_Count	1
19100334	Structure_Complexity	61.2
6539985	Covalent_Unit_Count	1
8554	Tautomer_Count	1
53786	Hydrogen_Bond_Acceptor_Count	4
11309506	Mono_Isotopic_Weight	86.084398327
660	Molecular_Weight	148.16
73557521	Defined_Bond_Stereo_Count	0
834146	Rotatable_Bond_Count	1
253602	TPSA	67.8
721137	Hydrogen_Bond_Acceptor_Count	4
12294	Undefined_Bond_Stereo_Count	0
67241466	Total_Formal_Charge	0
7751	Hydrogen_Bond_Acceptor_Count	2
53315588	Covalent_Unit_Count	1
741	TPSA	426
10680	Molecular_Weight	222.24
6361	Isotope_Atom_Count	0
738541	Covalent_Unit_Count	1
62105	Tautomer_Count	1
115205	Tautomer_Count	3
53480934	Defined_Atom_Stereo_Count	1
85760873	Structure_Complexity	118
9963430	Non-hydrogen_Atom_Count	79
91463	Total_Formal_Charge	0
506605	Molecular_Weight	205.24
88100859	Isotope_Atom_Count	0
10047141	Isotope_Atom_Count	0
188914	Isotope_Atom_Count	0
12397138	Covalent_Unit_Count	1
146558401	Hydrogen_Bond_Donor_Count	2
3549980	TPSA	40.1
91810695	Hydrogen_Bond_Acceptor_Count	16
71072057	Hydrogen_Bond_Donor_Count	1
71397	Mono_Isotopic_Weight	285.151749610
8413	Hydrogen_Bond_Acceptor_Count	2
7337	Molecular_Weight	168.15
22986609	Mono_Isotopic_Weight	113.047678466
799432	XLogP3-AA	3.8
3450	Mono_Isotopic_Weight	510.46346778
1548898	Rotatable_Bond_Count	1
10909550	Defined_Bond_Stereo_Count	0
722587	Rotatable_Bond_Count	7
85573568	Isotope_Atom_Count	0
10522	Defined_Atom_Stereo_Count	0
21713016	TPSA	61.3
21680710	Hydrogen_Bond_Donor_Count	2
60652	Defined_Atom_Stereo_Count	0
53734126	TPSA	55.1
10898648	Covalent_Unit_Count	1
2724640	Hydrogen_Bond_Donor_Count	2
3037070	Undefined_Atom_Stereo_Count	0
9934033	Undefined_Bond_Stereo_Count	0
7975	Molecular_Weight	93.13
24361	Undefined_Atom_Stereo_Count	0
3082460	Tautomer_Count	21
4596	Isotope_Atom_Count	0
3014827	Structure_Complexity	2.8
3310	Molecular_Weight	588.6
442374	Undefined_Bond_Stereo_Count	0
90470403	Exact_Mass	192.0454260
13931	XLogP3-AA	1.3
34340	Non-hydrogen_Atom_Count	14
10683	Hydrogen_Bond_Acceptor_Count	3
10291446	Rotatable_Bond_Count	3
2762280	Non-hydrogen_Atom_Count	21
10934636	Structure_Complexity	346
11170934	Hydrogen_Bond_Acceptor_Count	1
12933432	TPSA	50.8
21675633	Covalent_Unit_Count	1
4697	TPSA	82.6
134826477	Rotatable_Bond_Count	19
499988	Hydrogen_Bond_Donor_Count	2
136305444	Total_Formal_Charge	0
4421864	Total_Formal_Charge	0
44299	XLogP3-AA	6.3
19375411	Structure_Complexity	119
12386878	Defined_Bond_Stereo_Count	0
70694391	Total_Formal_Charge	0
43834223	Undefined_Bond_Stereo_Count	0
17390	XLogP3	2.8
34457	Molecular_Weight	646.6
119185	Hydrogen_Bond_Donor_Count	1
3192	Defined_Bond_Stereo_Count	0
76398	Covalent_Unit_Count	1
70297	Molecular_Weight	172.56
11159486	Total_Formal_Charge	0
28094582	Structure_Complexity	222
3246155	Non-hydrogen_Atom_Count	28
1052	Rotatable_Bond_Count	2
12132667	Structure_Complexity	90.7
13521831	XLogP3-AA	0.8
11065	Undefined_Atom_Stereo_Count	0
6602308	Rotatable_Bond_Count	11
66561	Undefined_Atom_Stereo_Count	0
9948588	Isotope_Atom_Count	0
21152819	Total_Formal_Charge	0
61523	Non-hydrogen_Atom_Count	12
96135	Undefined_Atom_Stereo_Count	0
71562042	Defined_Atom_Stereo_Count	0
3033968	Rotatable_Bond_Count	2
10199	Structure_Complexity	155
66248	Tautomer_Count	1
24883735	XLogP3-AA	3.6
839611	Hydrogen_Bond_Acceptor_Count	4
134694358	Isotope_Atom_Count	0
133090	Defined_Bond_Stereo_Count	0
53388310	XLogP3-AA	2.1
1139	Exact_Mass	322.05660244
17995832	Defined_Bond_Stereo_Count	0
23680530	Isotope_Atom_Count	0
90473211	Non-hydrogen_Atom_Count	24
123799979	Total_Formal_Charge	0
44416407	Defined_Bond_Stereo_Count	0
589692	TPSA	51.6
7098664	Mono_Isotopic_Weight	180.06338810
6914	TPSA	20.2
118654527	Mono_Isotopic_Weight	284.16237386
45120331	Molecular_Weight	112.17
53808174	Defined_Bond_Stereo_Count	0
7260	XLogP3	1.4
4055279	Molecular_Weight	136.21
148401	Structure_Complexity	34.8
289847	Defined_Atom_Stereo_Count	0
13531445	Isotope_Atom_Count	0
10215	Undefined_Atom_Stereo_Count	0
181977	Isotope_Atom_Count	0
56955933	Hydrogen_Bond_Donor_Count	0
69341841	Hydrogen_Bond_Acceptor_Count	2
9048976	Covalent_Unit_Count	1
154701542	Hydrogen_Bond_Donor_Count	5
23675349	Rotatable_Bond_Count	4
71128	Exact_Mass	325.204179104
24825264	Covalent_Unit_Count	1
86739056	XLogP3-AA	3
6922967	Mono_Isotopic_Weight	166.123189134
123659755	Isotope_Atom_Count	0
12942137	Non-hydrogen_Atom_Count	21
86688	Hydrogen_Bond_Acceptor_Count	1
1711921	Total_Formal_Charge	0
46841787	Hydrogen_Bond_Donor_Count	1
5245	Exact_Mass	283.00107569
8266	Structure_Complexity	487
164702	Molecular_Weight	100.12
57397776	Covalent_Unit_Count	1
58024825	Undefined_Atom_Stereo_Count	0
197162	Hydrogen_Bond_Donor_Count	15
139444	Hydrogen_Bond_Acceptor_Count	0
23676745	Rotatable_Bond_Count	2
18442762	Hydrogen_Bond_Acceptor_Count	2
45085029	Undefined_Atom_Stereo_Count	1
31227	Defined_Bond_Stereo_Count	0
10867835	Exact_Mass	221.09292838
163276613	Hydrogen_Bond_Acceptor_Count	2
6537505	Hydrogen_Bond_Acceptor_Count	3
5318591	Defined_Atom_Stereo_Count	5
10429215	Hydrogen_Bond_Acceptor_Count	4
11423566	Undefined_Atom_Stereo_Count	0
24759	Defined_Bond_Stereo_Count	0
520998	Total_Formal_Charge	0
9577585	Exact_Mass	303.0410689
637939	Molecular_Weight	98.14
311434	Undefined_Bond_Stereo_Count	0
69260079	Non-hydrogen_Atom_Count	31
79798	Total_Formal_Charge	0
6917778	Non-hydrogen_Atom_Count	19
57156265	Mono_Isotopic_Weight	108.057514874
695314	Defined_Atom_Stereo_Count	1
252139	TPSA	48.8
71172	Defined_Bond_Stereo_Count	0
5462508	TPSA	61.7
10176672	Total_Formal_Charge	0
6869	TPSA	121
46853873	Structure_Complexity	3150
124	Tautomer_Count	2
20198024	Rotatable_Bond_Count	0
220	Total_Formal_Charge	0
150	TPSA	143
123359989	Defined_Bond_Stereo_Count	0
375	Rotatable_Bond_Count	31
40846579	Hydrogen_Bond_Donor_Count	2
68216	Undefined_Bond_Stereo_Count	0
58969552	Undefined_Atom_Stereo_Count	3
38298	Isotope_Atom_Count	0
12875216	Non-hydrogen_Atom_Count	56
12698	Exact_Mass	104.083729621
22318809	Hydrogen_Bond_Acceptor_Count	3
23665765	Covalent_Unit_Count	2
19360868	Defined_Atom_Stereo_Count	0
8190	Exact_Mass	178.12050905
638340	Non-hydrogen_Atom_Count	22
3631	Non-hydrogen_Atom_Count	19
16850	Rotatable_Bond_Count	0
165154846	Structure_Complexity	139
25374	Undefined_Atom_Stereo_Count	0
304590	Exact_Mass	140.02219199
3662	Non-hydrogen_Atom_Count	39
5815	Isotope_Atom_Count	0
1808	Defined_Bond_Stereo_Count	0
12967	Defined_Bond_Stereo_Count	0
16486	Undefined_Atom_Stereo_Count	0
21720139	Isotope_Atom_Count	0
101835694	Defined_Atom_Stereo_Count	0
24901210	Total_Formal_Charge	0
4019563	TPSA	197
5283078	Exact_Mass	354.24062418
134692791	Mono_Isotopic_Weight	490.36582469
56962336	Exact_Mass	539.32200281
130026523	Structure_Complexity	121
99858	Hydrogen_Bond_Donor_Count	1
5280440	Total_Formal_Charge	0
91620	Exact_Mass	586.35056855
121881	Undefined_Bond_Stereo_Count	0
85585524	Undefined_Bond_Stereo_Count	0
16129620	TPSA	1470
78440	Defined_Atom_Stereo_Count	0
2734	Exact_Mass	184.9879707
5064	Undefined_Atom_Stereo_Count	4
285	Undefined_Atom_Stereo_Count	0
18428533	Undefined_Bond_Stereo_Count	0
542335	Isotope_Atom_Count	0
15983549	Exact_Mass	454.22162007
165345	Rotatable_Bond_Count	0
522621	Structure_Complexity	143
447153	Non-hydrogen_Atom_Count	10
6097043	Defined_Bond_Stereo_Count	0
3300	Isotope_Atom_Count	0
96522	Undefined_Bond_Stereo_Count	1
97035	Structure_Complexity	270
54692246	Hydrogen_Bond_Donor_Count	2
17779	Total_Formal_Charge	0
6917939	Hydrogen_Bond_Acceptor_Count	5
20631043	Defined_Bond_Stereo_Count	0
6438373	Total_Formal_Charge	0
79882	TPSA	26
160508452	Exact_Mass	527.23263824
88043987	Undefined_Atom_Stereo_Count	3
6917700	Defined_Bond_Stereo_Count	0
226	Total_Formal_Charge	0
86134	Undefined_Atom_Stereo_Count	1
7693	Tautomer_Count	1
11977753	Defined_Atom_Stereo_Count	0
24825261	Undefined_Atom_Stereo_Count	0
71853	Hydrogen_Bond_Acceptor_Count	47
3521	Defined_Bond_Stereo_Count	0
389	Isotope_Atom_Count	0
18503	Structure_Complexity	309
15466386	Isotope_Atom_Count	0
29339	Rotatable_Bond_Count	1
97065	Hydrogen_Bond_Donor_Count	0
87282052	Rotatable_Bond_Count	1
54897	Molecular_Weight	404.3
2064111	Molecular_Weight	106.13
445480	Non-hydrogen_Atom_Count	31
136266076	Mono_Isotopic_Weight	318.01162
30541	Defined_Bond_Stereo_Count	0
57401296	Mono_Isotopic_Weight	428.27874102
66502	TPSA	167
9504	Molecular_Weight	153.15
21379	Defined_Atom_Stereo_Count	0
521874	Mono_Isotopic_Weight	83.0137915
5282948	Undefined_Bond_Stereo_Count	0
70111	Undefined_Bond_Stereo_Count	0
67543	Undefined_Atom_Stereo_Count	0
132420	Hydrogen_Bond_Donor_Count	2
3086676	Defined_Atom_Stereo_Count	0
92850	Exact_Mass	404.3209791
292429	Structure_Complexity	590
53470	Defined_Bond_Stereo_Count	0
74861	Hydrogen_Bond_Acceptor_Count	0
737157	Structure_Complexity	248
23978	Tautomer_Count	9
67229	Tautomer_Count	1
2734239	Defined_Atom_Stereo_Count	0
690	Defined_Atom_Stereo_Count	0
17549	Isotope_Atom_Count	0
138062	TPSA	0
25273215	Exact_Mass	470.2322780
23427989	Structure_Complexity	1870
44246477	Structure_Complexity	382
9150	Structure_Complexity	282
21885122	Undefined_Bond_Stereo_Count	0
21866494	Exact_Mass	101.047678466
15043884	Covalent_Unit_Count	1
73292	Undefined_Atom_Stereo_Count	0
87853465	Isotope_Atom_Count	0
139033724	Non-hydrogen_Atom_Count	207
11867	Exact_Mass	173.99867984
779642	Rotatable_Bond_Count	6
135398729	Defined_Atom_Stereo_Count	0
41575	Defined_Atom_Stereo_Count	0
23989	Tautomer_Count	70
129869	Exact_Mass	336.350449412
54678504	Defined_Bond_Stereo_Count	0
87187801	TPSA	9.2
715456	Defined_Bond_Stereo_Count	0
20807398	Non-hydrogen_Atom_Count	43
19516	Isotope_Atom_Count	0
14723648	Isotope_Atom_Count	0
12669583	XLogP3-AA	1.2
11271730	Defined_Atom_Stereo_Count	0
60209624	Structure_Complexity	421
179212	Defined_Atom_Stereo_Count	0
4660280	Mono_Isotopic_Weight	169.03750770
18406174	Structure_Complexity	90.1
65241	Hydrogen_Bond_Acceptor_Count	4
100308	Exact_Mass	338.89287
423072	Isotope_Atom_Count	0
69340843	Mono_Isotopic_Weight	111.079647300
91468	Tautomer_Count	2
57396593	Hydrogen_Bond_Acceptor_Count	5
240109	Mono_Isotopic_Weight	113.058911855
4952	TPSA	74.6
544180	Exact_Mass	112.125200510
11199	Defined_Atom_Stereo_Count	0
24766297	Structure_Complexity	776
33242	Hydrogen_Bond_Acceptor_Count	3
39724	Hydrogen_Bond_Donor_Count	2
57394598	Covalent_Unit_Count	1
16220061	Rotatable_Bond_Count	12
79154	Hydrogen_Bond_Acceptor_Count	2
93290	Total_Formal_Charge	0
295763	Hydrogen_Bond_Acceptor_Count	3
20498	Total_Formal_Charge	0
34148	XLogP3-AA	6.1
9807600	Rotatable_Bond_Count	7
12290	TPSA	29.1
74789	TPSA	77.3
121135	Total_Formal_Charge	0
27375	XLogP3	2.4
20015	Total_Formal_Charge	0
440723	Defined_Bond_Stereo_Count	0
14197638	Covalent_Unit_Count	1
130142668	Structure_Complexity	81
6344	Undefined_Bond_Stereo_Count	0
76783	Covalent_Unit_Count	1
11029756	TPSA	12
53701	Undefined_Atom_Stereo_Count	0
258618	Defined_Bond_Stereo_Count	0
70314955	Rotatable_Bond_Count	1
53921772	Undefined_Atom_Stereo_Count	1
14214	Tautomer_Count	1
12148	Covalent_Unit_Count	1
4437320	Undefined_Bond_Stereo_Count	0
77117	Mono_Isotopic_Weight	153.99446384
24765256	Structure_Complexity	1550
1707	Structure_Complexity	794
73835	TPSA	45.5
21953621	Total_Formal_Charge	0
3792	Exact_Mass	358.18925731
12848392	Covalent_Unit_Count	1
54521625	XLogP3-AA	1.4
1639804	TPSA	46.5
14626857	Mono_Isotopic_Weight	559.21409234
9974756	Hydrogen_Bond_Acceptor_Count	7
18626415	Exact_Mass	102.068079557
6316	TPSA	78.1
71388	Non-hydrogen_Atom_Count	20
116047519	Mono_Isotopic_Weight	113.084063974
5353607	Non-hydrogen_Atom_Count	29
25203188	Rotatable_Bond_Count	6
6989	Non-hydrogen_Atom_Count	11
69862751	Rotatable_Bond_Count	0
89053261	Covalent_Unit_Count	1
6492	Structure_Complexity	212
136274	Tautomer_Count	1
13134933	Undefined_Atom_Stereo_Count	0
9596	Defined_Bond_Stereo_Count	0
6450522	Defined_Atom_Stereo_Count	0
70690637	Isotope_Atom_Count	0
5371102	Rotatable_Bond_Count	6
12603004	Undefined_Atom_Stereo_Count	0
76716	Undefined_Bond_Stereo_Count	0
123969077	Exact_Mass	114.104465066
65614	Tautomer_Count	4
545963	Rotatable_Bond_Count	53
73306	TPSA	63.3
3336	Structure_Complexity	303
71358384	Undefined_Atom_Stereo_Count	0
9570093	Rotatable_Bond_Count	4
23345862	Total_Formal_Charge	0
46173707	Tautomer_Count	1
8974	TPSA	140
66908038	Isotope_Atom_Count	0
5460044	Mono_Isotopic_Weight	182.07903816
12545984	Hydrogen_Bond_Donor_Count	1
8286	Hydrogen_Bond_Donor_Count	0
9782	Rotatable_Bond_Count	2
92600	Undefined_Atom_Stereo_Count	0
49985	Molecular_Weight	211.17
11186829	Undefined_Atom_Stereo_Count	0
447884	Exact_Mass	514.29305367
95431	Tautomer_Count	1
21531	Rotatable_Bond_Count	6
53262401	Defined_Bond_Stereo_Count	0
590596	Undefined_Bond_Stereo_Count	0
9964258	Non-hydrogen_Atom_Count	12
21749202	Mono_Isotopic_Weight	116.083729621
72187525	Undefined_Bond_Stereo_Count	0
41574	Hydrogen_Bond_Acceptor_Count	5
443239	Undefined_Atom_Stereo_Count	0
8069	TPSA	32.6
135398633	Molecular_Weight	523.18
57602863	Rotatable_Bond_Count	1
49869877	Structure_Complexity	683
31016	Defined_Bond_Stereo_Count	0
74724	Rotatable_Bond_Count	2
18506429	Covalent_Unit_Count	1
5684	Hydrogen_Bond_Donor_Count	0
46203882	Rotatable_Bond_Count	1
15004	Hydrogen_Bond_Acceptor_Count	5
81358402	Non-hydrogen_Atom_Count	8
69335094	Molecular_Weight	115.09
72028	Non-hydrogen_Atom_Count	25
5284361	XLogP3-AA	6.7
63045	Molecular_Weight	448.5
54572926	Non-hydrogen_Atom_Count	8
46936900	TPSA	169
11976366	Defined_Atom_Stereo_Count	0
9888347	Rotatable_Bond_Count	6
75406495	Non-hydrogen_Atom_Count	8
23674496	Rotatable_Bond_Count	6
15004	Isotope_Atom_Count	0
52112	Mono_Isotopic_Weight	383.01307
7652	Molecular_Weight	238.28
88318	Undefined_Atom_Stereo_Count	0
6724	Isotope_Atom_Count	0
139062656	Defined_Bond_Stereo_Count	0
153142415	Defined_Bond_Stereo_Count	0
12406682	Non-hydrogen_Atom_Count	6
4126	Undefined_Atom_Stereo_Count	4
13850985	Hydrogen_Bond_Donor_Count	1
18620262	Hydrogen_Bond_Acceptor_Count	2
59680984	Hydrogen_Bond_Acceptor_Count	1
15673	Defined_Atom_Stereo_Count	0
74110	Defined_Bond_Stereo_Count	0
1201546	Molecular_Weight	133.20
71272	XLogP3-AA	4.4
138074	Exact_Mass	98.109550447
10461508	Hydrogen_Bond_Donor_Count	2
42601552	Isotope_Atom_Count	0
3444	Hydrogen_Bond_Donor_Count	0
65934	XLogP3-AA	1.1
3172	XLogP3-AA	3.4
95197	XLogP3	5.6
27882	Defined_Atom_Stereo_Count	0
68321815	TPSA	77.2
9574960	XLogP3-AA	2.3
54130	Mono_Isotopic_Weight	260.152477885
519963	Covalent_Unit_Count	1
82418995	Hydrogen_Bond_Donor_Count	1
5311451	Molecular_Weight	685.9
7060524	Hydrogen_Bond_Acceptor_Count	2
10417847	Rotatable_Bond_Count	44
164084996	Mono_Isotopic_Weight	98.084398327
2097895	Undefined_Bond_Stereo_Count	0
71957	Defined_Bond_Stereo_Count	0
156513855	Non-hydrogen_Atom_Count	7
88359	Exact_Mass	112.063662883
34885	Hydrogen_Bond_Donor_Count	0
100016	Defined_Bond_Stereo_Count	0
10672195	Molecular_Weight	474.7
81466	Defined_Atom_Stereo_Count	0
9983746	Defined_Atom_Stereo_Count	0
3988	Defined_Atom_Stereo_Count	0
17455	Structure_Complexity	791
3191	Total_Formal_Charge	0
82728	Defined_Bond_Stereo_Count	0
656673	Total_Formal_Charge	0
6264	Covalent_Unit_Count	1
57190391	Hydrogen_Bond_Donor_Count	0
69	Undefined_Atom_Stereo_Count	0
15432	Exact_Mass	391.19546489
74944	Hydrogen_Bond_Donor_Count	0
23725051	Hydrogen_Bond_Acceptor_Count	2
25572	Defined_Bond_Stereo_Count	0
12536263	Covalent_Unit_Count	1
121942	Hydrogen_Bond_Donor_Count	7
7232	Rotatable_Bond_Count	3
10197842	Non-hydrogen_Atom_Count	10
6604557	Defined_Atom_Stereo_Count	2
5779	Molecular_Weight	150.13
127928	Total_Formal_Charge	0
16216349	Defined_Bond_Stereo_Count	0
5288700	TPSA	174
20563296	Defined_Bond_Stereo_Count	0
16129701	Total_Formal_Charge	0
54027648	Undefined_Atom_Stereo_Count	1
11638904	XLogP3-AA	2.5
24848325	Defined_Bond_Stereo_Count	0
5505	TPSA	83.6
17050	Total_Formal_Charge	0
9366	Molecular_Weight	177.03
94204	Non-hydrogen_Atom_Count	32
16073660	Undefined_Bond_Stereo_Count	0
439178	Total_Formal_Charge	0
515	Hydrogen_Bond_Acceptor_Count	7
56848	XLogP3-AA	4.2
11610423	XLogP3-AA	3.5
449	Defined_Atom_Stereo_Count	0
19238	Non-hydrogen_Atom_Count	30
10531	TPSA	118
54688694	Rotatable_Bond_Count	2
11597	Defined_Bond_Stereo_Count	0
25271892	Defined_Atom_Stereo_Count	0
524314	Non-hydrogen_Atom_Count	11
10197646	TPSA	49.6
24831714	Structure_Complexity	476
92588	Non-hydrogen_Atom_Count	8
12723336	Total_Formal_Charge	0
13707473	Covalent_Unit_Count	1
2796	XLogP3	3.3
11655069	Hydrogen_Bond_Acceptor_Count	7
5988	Structure_Complexity	395
12747521	Molecular_Weight	107.11
165542	Total_Formal_Charge	0
705228	Hydrogen_Bond_Donor_Count	1
12720	Hydrogen_Bond_Donor_Count	0
24780352	Hydrogen_Bond_Acceptor_Count	8
92044408	Hydrogen_Bond_Acceptor_Count	28
14539799	Mono_Isotopic_Weight	413.22743373
10482134	Defined_Atom_Stereo_Count	0
163962080	Hydrogen_Bond_Donor_Count	0
11531537	Isotope_Atom_Count	0
309266	Isotope_Atom_Count	0
5249	Rotatable_Bond_Count	12
9821217	Tautomer_Count	1
20145495	Rotatable_Bond_Count	2
91649	Undefined_Bond_Stereo_Count	0
25058411	Molecular_Weight	750.7
45375974	TPSA	128
6857485	Covalent_Unit_Count	1
49784002	Hydrogen_Bond_Acceptor_Count	5
544563	Non-hydrogen_Atom_Count	8
55399	Mono_Isotopic_Weight	622.34788321
16051971	Rotatable_Bond_Count	9
4179	TPSA	144
5289534	Isotope_Atom_Count	0
37366	Exact_Mass	221.03329170
69007	Defined_Atom_Stereo_Count	0
53394675	Isotope_Atom_Count	0
3973	Non-hydrogen_Atom_Count	23
32283	Rotatable_Bond_Count	2
5288598	Covalent_Unit_Count	1
123776311	Covalent_Unit_Count	1
90290377	Exact_Mass	101.047678466
68938028	XLogP3-AA	4.2
18500	Defined_Bond_Stereo_Count	0
40159	Exact_Mass	390.0789499
52942917	Defined_Atom_Stereo_Count	0
16407	Molecular_Weight	280.2
23419966	Hydrogen_Bond_Acceptor_Count	13
157857	Mono_Isotopic_Weight	280.92511883
9812772	Hydrogen_Bond_Acceptor_Count	2
2883813	Exact_Mass	299.11575802
3872	Hydrogen_Bond_Acceptor_Count	11
500	TPSA	102
56949517	Undefined_Bond_Stereo_Count	0
141429324	Non-hydrogen_Atom_Count	7
5280570	Undefined_Bond_Stereo_Count	0
159563	Total_Formal_Charge	0
15110788	Defined_Atom_Stereo_Count	0
22812625	Hydrogen_Bond_Donor_Count	4
74209	Hydrogen_Bond_Acceptor_Count	10
96264	TPSA	71.3
12705073	Structure_Complexity	116
59483386	Covalent_Unit_Count	1
165879	Undefined_Atom_Stereo_Count	0
101365706	Hydrogen_Bond_Acceptor_Count	2
2471	Hydrogen_Bond_Acceptor_Count	7
21801	TPSA	92.2
137699165	TPSA	132
637568	Rotatable_Bond_Count	4
124328164	Non-hydrogen_Atom_Count	38
86137	Exact_Mass	305.13755610
542420	Hydrogen_Bond_Acceptor_Count	2
11751549	Rotatable_Bond_Count	8
112446	Hydrogen_Bond_Donor_Count	0
25202592	Undefined_Bond_Stereo_Count	0
10953432	Mono_Isotopic_Weight	98.036779430
5281365	Exact_Mass	290.260965704
51993	Defined_Bond_Stereo_Count	0
44144477	Covalent_Unit_Count	5
6328657	Undefined_Atom_Stereo_Count	0
154730852	Structure_Complexity	1230
176166	Defined_Atom_Stereo_Count	0
6604889	Isotope_Atom_Count	0
1883	Hydrogen_Bond_Donor_Count	2
74193	Isotope_Atom_Count	0
25006	Non-hydrogen_Atom_Count	8
68437	Isotope_Atom_Count	0
2247	Rotatable_Bond_Count	8
3017	Non-hydrogen_Atom_Count	19
71356	Defined_Bond_Stereo_Count	0
6514	Structure_Complexity	52.8
9862634	Mono_Isotopic_Weight	221.120449483
59908032	XLogP3-AA	2.6
54757524	Isotope_Atom_Count	0
518234	Hydrogen_Bond_Acceptor_Count	1
571	Mono_Isotopic_Weight	307.09120050
73437631	Molecular_Weight	450.7
22123753	Defined_Atom_Stereo_Count	0
82322	Isotope_Atom_Count	0
5402	Isotope_Atom_Count	0
11621437	Hydrogen_Bond_Acceptor_Count	7
11527774	Covalent_Unit_Count	1
30072	Undefined_Atom_Stereo_Count	4
136106195	Non-hydrogen_Atom_Count	52
11697697	Tautomer_Count	5
20056828	Rotatable_Bond_Count	6
91465	Undefined_Bond_Stereo_Count	0
252163	XLogP3	0.8
79618	Structure_Complexity	163
184321	Covalent_Unit_Count	1
66053	Mono_Isotopic_Weight	88.100048391
10778228	Hydrogen_Bond_Acceptor_Count	3
12397138	Non-hydrogen_Atom_Count	7
22170247	Isotope_Atom_Count	0
37854	Hydrogen_Bond_Donor_Count	1
2723891	Defined_Atom_Stereo_Count	1
6436661	Defined_Bond_Stereo_Count	2
11510567	Total_Formal_Charge	0
43295	Non-hydrogen_Atom_Count	23
13925935	XLogP3-AA	0.2
71744109	Total_Formal_Charge	0
88314418	Rotatable_Bond_Count	8
3290	Hydrogen_Bond_Acceptor_Count	3
18408476	Mono_Isotopic_Weight	114.031694049
56672294	Defined_Atom_Stereo_Count	0
165339	Tautomer_Count	1
92974077	Structure_Complexity	688
140734	Defined_Bond_Stereo_Count	0
14036559	Molecular_Weight	440.7
12066	Mono_Isotopic_Weight	206.9489983
398593	Hydrogen_Bond_Donor_Count	2
13925600	Non-hydrogen_Atom_Count	8
55284046	Hydrogen_Bond_Acceptor_Count	2
29	Isotope_Atom_Count	0
89453139	Non-hydrogen_Atom_Count	8
280	Isotope_Atom_Count	0
20769	Undefined_Atom_Stereo_Count	0
54234	Defined_Bond_Stereo_Count	0
8091	Defined_Atom_Stereo_Count	0
140473289	Defined_Atom_Stereo_Count	12
2225	Total_Formal_Charge	0
15789550	Exact_Mass	101.084063974
76092	TPSA	63.3
815404	Isotope_Atom_Count	0
26690	Defined_Bond_Stereo_Count	0
44455010	XLogP3-AA	2.5
15739356	Total_Formal_Charge	0
98863	Structure_Complexity	464
5139	Mono_Isotopic_Weight	104.04081944
59750537	Defined_Atom_Stereo_Count	0
13764185	TPSA	28.7
62130	Hydrogen_Bond_Donor_Count	2
167250	Defined_Bond_Stereo_Count	0
71317095	Exact_Mass	186.08351711
101906815	Hydrogen_Bond_Donor_Count	0
68378847	Total_Formal_Charge	0
537396	Undefined_Atom_Stereo_Count	1
462919	Defined_Atom_Stereo_Count	0
5245766	Structure_Complexity	101
10373	Hydrogen_Bond_Acceptor_Count	3
21939031	Mono_Isotopic_Weight	97.027611728
141329202	Rotatable_Bond_Count	0
20797	Isotope_Atom_Count	0
12085802	Defined_Atom_Stereo_Count	5
15642161	Non-hydrogen_Atom_Count	8
5223	Undefined_Bond_Stereo_Count	4
66991180	Covalent_Unit_Count	1
13737991	Molecular_Weight	88.11
22211722	Non-hydrogen_Atom_Count	28
164826	Defined_Bond_Stereo_Count	0
541623	Defined_Atom_Stereo_Count	0
10209	Non-hydrogen_Atom_Count	13
748002	Covalent_Unit_Count	1
22021903	Exact_Mass	97.016378338
162014	Mono_Isotopic_Weight	237.1032752
44431182	TPSA	137
49867938	Isotope_Atom_Count	0
90657669	Structure_Complexity	1220
319771	Undefined_Bond_Stereo_Count	0
7292	Exact_Mass	87.068413911
347590	XLogP3	2.4
132451761	Non-hydrogen_Atom_Count	293
57681561	Hydrogen_Bond_Donor_Count	4
77946	Total_Formal_Charge	0
19063438	Total_Formal_Charge	0
688691	Non-hydrogen_Atom_Count	12
638088	Mono_Isotopic_Weight	180.093900383
89399997	Defined_Bond_Stereo_Count	0
176170	Undefined_Atom_Stereo_Count	0
6011	Isotope_Atom_Count	0
642240	Rotatable_Bond_Count	2
14438030	Exact_Mass	110.073164938
127748	Mono_Isotopic_Weight	386.09027155
5284369	Undefined_Bond_Stereo_Count	0
690730	Rotatable_Bond_Count	1
5313082	Defined_Bond_Stereo_Count	0
9812642	Mono_Isotopic_Weight	1511.4785360
87642220	Non-hydrogen_Atom_Count	23
14079	Undefined_Bond_Stereo_Count	0
2734179	TPSA	8.8
79491	Covalent_Unit_Count	1
22226235	Molecular_Weight	97.12
447076	TPSA	98.4
12774278	Covalent_Unit_Count	2
90476206	TPSA	157
6854	Tautomer_Count	1
443369	Undefined_Atom_Stereo_Count	8
929	Total_Formal_Charge	1
10376	TPSA	35.5
13149570	Non-hydrogen_Atom_Count	8
12740771	Exact_Mass	78.0469501914
10496	Exact_Mass	192.04225873
36744	Undefined_Atom_Stereo_Count	0
534439	Undefined_Bond_Stereo_Count	0
11027582	Defined_Bond_Stereo_Count	0
14260	Defined_Bond_Stereo_Count	0
19111	Covalent_Unit_Count	1
68374690	Total_Formal_Charge	0
51003123	Structure_Complexity	740
87017	Defined_Atom_Stereo_Count	0
10883	Non-hydrogen_Atom_Count	10
676486	Hydrogen_Bond_Acceptor_Count	4
803776	Rotatable_Bond_Count	4
22477757	XLogP3-AA	1.7
12302651	Defined_Atom_Stereo_Count	9
86153841	Non-hydrogen_Atom_Count	8
71782	Undefined_Bond_Stereo_Count	2
6412	Structure_Complexity	104
701808	Defined_Atom_Stereo_Count	1
76476	Undefined_Atom_Stereo_Count	0
123924	Isotope_Atom_Count	0
5932	Mono_Isotopic_Weight	213.0781231
351770	Tautomer_Count	2
200424	Undefined_Atom_Stereo_Count	0
151092	Exact_Mass	335.0689374
15981323	Undefined_Atom_Stereo_Count	0
15475335	Covalent_Unit_Count	1
21161643	Undefined_Bond_Stereo_Count	0
98502	Non-hydrogen_Atom_Count	8
14940	Total_Formal_Charge	0
121326433	Hydrogen_Bond_Donor_Count	0
70691486	Undefined_Atom_Stereo_Count	0
5781	Undefined_Bond_Stereo_Count	0
90127741	Defined_Atom_Stereo_Count	0
87064	Mono_Isotopic_Weight	195.162314293
71438255	Defined_Bond_Stereo_Count	0
637932	Hydrogen_Bond_Acceptor_Count	1
5280490	Non-hydrogen_Atom_Count	21
24883486	Molecular_Weight	366.3
12362	Hydrogen_Bond_Acceptor_Count	3
22932	Molecular_Weight	390.6
153963013	Defined_Atom_Stereo_Count	0
56746	Hydrogen_Bond_Acceptor_Count	4
56598471	Defined_Atom_Stereo_Count	0
12668	Rotatable_Bond_Count	0
643981	Isotope_Atom_Count	0
14459508	Hydrogen_Bond_Donor_Count	1
9913088	Structure_Complexity	785
57484773	TPSA	0
49993	Hydrogen_Bond_Donor_Count	0
21120209	Hydrogen_Bond_Donor_Count	1
105424	Non-hydrogen_Atom_Count	9
14388559	Defined_Bond_Stereo_Count	0
53992423	Hydrogen_Bond_Acceptor_Count	2
14189996	Mono_Isotopic_Weight	232.0654927
86711	XLogP3-AA	4.9
10941	Mono_Isotopic_Weight	180.0221037
152057	Isotope_Atom_Count	0
377	Exact_Mass	547.19474967
22617391	Undefined_Bond_Stereo_Count	0
135920954	Total_Formal_Charge	0
191841	Structure_Complexity	581
135398635	TPSA	155
32343	Covalent_Unit_Count	3
10022229	Covalent_Unit_Count	1
10267	Rotatable_Bond_Count	6
3011729	Covalent_Unit_Count	1
79798	Structure_Complexity	323
841083	Non-hydrogen_Atom_Count	17
12681	Undefined_Atom_Stereo_Count	0
129913833	Undefined_Bond_Stereo_Count	0
248934	Isotope_Atom_Count	0
143670559	Exact_Mass	97.052763847
70697656	Undefined_Bond_Stereo_Count	0
9543443	Isotope_Atom_Count	0
69253625	Defined_Atom_Stereo_Count	0
141691	Isotope_Atom_Count	0
11534837	Undefined_Bond_Stereo_Count	0
15179483	Total_Formal_Charge	0
59048761	Mono_Isotopic_Weight	342.11621151
5678496	Hydrogen_Bond_Donor_Count	0
7487	Hydrogen_Bond_Donor_Count	0
5280440	Defined_Bond_Stereo_Count	2
152946	Undefined_Atom_Stereo_Count	0
11319053	Tautomer_Count	12
23978	Rotatable_Bond_Count	0
13661819	Hydrogen_Bond_Donor_Count	1
170295	Structure_Complexity	342
21914506	Undefined_Atom_Stereo_Count	2
12252	Structure_Complexity	47.2
12248932	Hydrogen_Bond_Acceptor_Count	3
53894233	Hydrogen_Bond_Donor_Count	0
15942890	Structure_Complexity	721
132980	XLogP3-AA	3.3
129659218	Molecular_Weight	120.19
5460570	Undefined_Bond_Stereo_Count	0
317846	Undefined_Bond_Stereo_Count	0
9543090	Structure_Complexity	309
9810771	Non-hydrogen_Atom_Count	49
7594067	Defined_Atom_Stereo_Count	0
44629682	Undefined_Bond_Stereo_Count	0
135724	TPSA	32.8
18924	Non-hydrogen_Atom_Count	29
20063796	Mono_Isotopic_Weight	115.063328530
136219231	XLogP3-AA	5
14081	Molecular_Weight	110.16
5281517	Exact_Mass	204.187800766
4356	Hydrogen_Bond_Acceptor_Count	6
8489	Hydrogen_Bond_Acceptor_Count	2
41596	Isotope_Atom_Count	0
135409471	Rotatable_Bond_Count	2
139352	Total_Formal_Charge	0
164023899	Undefined_Atom_Stereo_Count	4
533728	Hydrogen_Bond_Acceptor_Count	2
121540648	TPSA	158
44560668	Hydrogen_Bond_Donor_Count	5
11283	Undefined_Atom_Stereo_Count	0
46783795	Undefined_Bond_Stereo_Count	0
12634655	Structure_Complexity	109
522251	Defined_Bond_Stereo_Count	0
54576693	Rotatable_Bond_Count	3
16760285	Defined_Bond_Stereo_Count	0
14251035	Structure_Complexity	53.6
5281515	Mono_Isotopic_Weight	204.187800766
24941254	Defined_Bond_Stereo_Count	0
4599	Undefined_Bond_Stereo_Count	0
72114	Isotope_Atom_Count	0
135608329	Defined_Atom_Stereo_Count	0
46930998	Undefined_Bond_Stereo_Count	0
5942099	Undefined_Bond_Stereo_Count	0
12262509	Isotope_Atom_Count	0
716121	Undefined_Atom_Stereo_Count	0
21466942	Hydrogen_Bond_Donor_Count	3
15853200	Rotatable_Bond_Count	2
53395198	Defined_Bond_Stereo_Count	0
16219580	Structure_Complexity	151
21145408	Structure_Complexity	596
87359450	Isotope_Atom_Count	0
142739236	Hydrogen_Bond_Donor_Count	1
68026923	Structure_Complexity	130
134399	Structure_Complexity	86.9
91514136	Exact_Mass	100.052429494
5386	Defined_Bond_Stereo_Count	0
10558590	Exact_Mass	113.084063974
258030	Isotope_Atom_Count	0
56972049	Hydrogen_Bond_Donor_Count	3
11737	Structure_Complexity	59.8
167980	Rotatable_Bond_Count	7
638011	Covalent_Unit_Count	1
16215374	Exact_Mass	154.1165099
57281	Isotope_Atom_Count	0
3038512	Mono_Isotopic_Weight	380.19607403
16063805	TPSA	35.5
677	Structure_Complexity	118
11091168	Undefined_Bond_Stereo_Count	0
20387241	Defined_Atom_Stereo_Count	0
7464	XLogP3	2.2
2777312	Hydrogen_Bond_Acceptor_Count	1
19938019	Isotope_Atom_Count	0
12086	Total_Formal_Charge	0
68613	Covalent_Unit_Count	1
76223940	Undefined_Bond_Stereo_Count	0
98282	XLogP3-AA	1.8
15001198	Exact_Mass	235.84260
75796	Non-hydrogen_Atom_Count	28
12498	Exact_Mass	289.0861010
6197820	Undefined_Atom_Stereo_Count	0
3297	Defined_Bond_Stereo_Count	0
42611099	Non-hydrogen_Atom_Count	23
131428459	Mono_Isotopic_Weight	97.052763847
53243273	Exact_Mass	115.063328530
25352	Total_Formal_Charge	0
12007083	Exact_Mass	420.20088463
30971	Isotope_Atom_Count	0
705935	Mono_Isotopic_Weight	339.14053348
15205080	TPSA	44
20320770	Hydrogen_Bond_Donor_Count	0
10535	TPSA	43.1
13115325	TPSA	0
6993205	Rotatable_Bond_Count	3
15793001	XLogP3-AA	0.2
87963836	Structure_Complexity	113
29435	Rotatable_Bond_Count	1
117933221	Mono_Isotopic_Weight	112.088815002
135410702	Hydrogen_Bond_Acceptor_Count	10
56890	Rotatable_Bond_Count	4
10008	Non-hydrogen_Atom_Count	7
91981561	Molecular_Weight	481.9
16219423	Undefined_Atom_Stereo_Count	0
9930	Undefined_Atom_Stereo_Count	0
6432437	XLogP3-AA	1.2
3000226	Mono_Isotopic_Weight	516.34508925
9841	Undefined_Bond_Stereo_Count	0
44520827	Molecular_Weight	314.8
131698450	Tautomer_Count	1
164946899	Hydrogen_Bond_Donor_Count	3
9952916	Undefined_Bond_Stereo_Count	0
15983550	Exact_Mass	467.21686904
688469	Isotope_Atom_Count	0
32443	Structure_Complexity	253
67711	Defined_Atom_Stereo_Count	0
104711138	Exact_Mass	100.063662883
12909725	Hydrogen_Bond_Donor_Count	0
6438372	Defined_Bond_Stereo_Count	2
519666	Structure_Complexity	135
46936995	Rotatable_Bond_Count	7
54698174	Covalent_Unit_Count	3
15650	Hydrogen_Bond_Donor_Count	0
9823	Undefined_Bond_Stereo_Count	0
12386899	Rotatable_Bond_Count	3
14494975	Structure_Complexity	138
8512	Molecular_Weight	224.21
7343	Rotatable_Bond_Count	3
140979598	Defined_Bond_Stereo_Count	0
11661757	Total_Formal_Charge	0
8893	Exact_Mass	158.0377538
109016492	Defined_Bond_Stereo_Count	0
1501	Mono_Isotopic_Weight	528.28488903
13126	Non-hydrogen_Atom_Count	30
52914324	Exact_Mass	650.33156444
223	Defined_Bond_Stereo_Count	0
6734	XLogP3	3.9
23238195	Defined_Bond_Stereo_Count	0
4378561	Hydrogen_Bond_Acceptor_Count	1
54303301	XLogP3-AA	2.7
139087298	Exact_Mass	255.10414797
56845432	Covalent_Unit_Count	1
664081	Structure_Complexity	399
562729	Molecular_Weight	192.21
20135774	Covalent_Unit_Count	1
601898	Isotope_Atom_Count	0
176595	TPSA	154
20387237	Structure_Complexity	62.6
13432442	Exact_Mass	103.099714038
85570	Rotatable_Bond_Count	0
53315139	Hydrogen_Bond_Acceptor_Count	24
12376	Rotatable_Bond_Count	5
62130	Covalent_Unit_Count	2
2733532	Hydrogen_Bond_Acceptor_Count	6
61119	Hydrogen_Bond_Donor_Count	0
12707110	Exact_Mass	85.052763847
3739682	TPSA	83.4
101103333	TPSA	0
7926	Total_Formal_Charge	0
22323434	Molecular_Weight	466.5
69301	TPSA	27.7
10531366	TPSA	125
72257	TPSA	78.9
4333	Molecular_Weight	304.4
6918606	Mono_Isotopic_Weight	717.24191874
15271454	Exact_Mass	95.037113783
145607000	Structure_Complexity	74.9
74034036	Non-hydrogen_Atom_Count	7
737375	Exact_Mass	166.05646950
84003	Undefined_Bond_Stereo_Count	0
3016390	Defined_Bond_Stereo_Count	0
60209583	Hydrogen_Bond_Donor_Count	1
9852201	Covalent_Unit_Count	1
93798	Molecular_Weight	475.3
6451285	Molecular_Weight	257.37
4596	XLogP3-AA	1.8
73219	Mono_Isotopic_Weight	234.161979940
13424661	Molecular_Weight	383.4
123835510	TPSA	49.7
21274620	Non-hydrogen_Atom_Count	7
9901	Covalent_Unit_Count	1
57384040	Defined_Atom_Stereo_Count	0
12634655	Isotope_Atom_Count	0
27234	Isotope_Atom_Count	0
57504473	Non-hydrogen_Atom_Count	35
164075219	Undefined_Bond_Stereo_Count	0
22947120	Defined_Bond_Stereo_Count	0
133126830	Covalent_Unit_Count	1
68321895	Non-hydrogen_Atom_Count	27
5057599	Hydrogen_Bond_Donor_Count	2
36690486	XLogP3	4.6
71530	Molecular_Weight	333.24
438424	Hydrogen_Bond_Donor_Count	0
14619651	Total_Formal_Charge	0
449087	Exact_Mass	291.137162174
7188	Covalent_Unit_Count	1
255680	Molecular_Weight	191.18
71946	XLogP3-AA	2.5
81217	Hydrogen_Bond_Donor_Count	4
70048	Non-hydrogen_Atom_Count	19
11857488	Defined_Atom_Stereo_Count	2
449223	Structure_Complexity	474
19001504	Undefined_Atom_Stereo_Count	0
1641	Isotope_Atom_Count	0
409409	Defined_Bond_Stereo_Count	0
17848742	Defined_Bond_Stereo_Count	0
44719848	Rotatable_Bond_Count	0
9830667	XLogP3-AA	5
135409453	Isotope_Atom_Count	0
72015	Mono_Isotopic_Weight	339.12527733
449169	Non-hydrogen_Atom_Count	44
69262871	Undefined_Atom_Stereo_Count	0
6999115	Undefined_Atom_Stereo_Count	0
124769750	Total_Formal_Charge	0
46181941	Undefined_Atom_Stereo_Count	1
5284649	Covalent_Unit_Count	1
17833	Covalent_Unit_Count	1
15385	Molecular_Weight	163.02
9933197	Hydrogen_Bond_Acceptor_Count	9
2367	Rotatable_Bond_Count	4
80786	Structure_Complexity	273
3009817	Isotope_Atom_Count	0
3047855	TPSA	295
16212610	Non-hydrogen_Atom_Count	40
77080	Covalent_Unit_Count	1
69132	TPSA	26.3
14527402	Molecular_Weight	114.19
4688	Molecular_Weight	159.23
18179173	XLogP3-AA	0.6
136630882	Mono_Isotopic_Weight	596.91004189
85217	Non-hydrogen_Atom_Count	14
3021	Exact_Mass	451.26421316
43601	Mono_Isotopic_Weight	97.052763847
1248527	Undefined_Atom_Stereo_Count	0
7018870	Undefined_Bond_Stereo_Count	0
10446567	Undefined_Atom_Stereo_Count	0
44338774	XLogP3-AA	3.2
21872909	TPSA	173
18644925	Covalent_Unit_Count	1
31237	Defined_Atom_Stereo_Count	0
21932259	Structure_Complexity	467
9844747	Rotatable_Bond_Count	6
121596705	Undefined_Atom_Stereo_Count	0
141938919	Rotatable_Bond_Count	0
157	Defined_Atom_Stereo_Count	0
340026	Covalent_Unit_Count	1
11519741	Structure_Complexity	647
5608	Undefined_Atom_Stereo_Count	15
25422	Defined_Atom_Stereo_Count	0
58806287	Total_Formal_Charge	0
9919942	Molecular_Weight	1166.1
20055397	XLogP3	4.3
44199317	Defined_Bond_Stereo_Count	0
5738	Hydrogen_Bond_Acceptor_Count	7
11618	Non-hydrogen_Atom_Count	7
68589	Covalent_Unit_Count	2
22327921	Hydrogen_Bond_Donor_Count	1
77507	Structure_Complexity	243
58536	Rotatable_Bond_Count	3
40512	Hydrogen_Bond_Donor_Count	0
31426	Mono_Isotopic_Weight	267.05315777
10061651	Total_Formal_Charge	0
31876	Undefined_Atom_Stereo_Count	0
11725	Undefined_Atom_Stereo_Count	0
62327	Tautomer_Count	5
123678021	Total_Formal_Charge	0
5311333	Defined_Atom_Stereo_Count	33
136115428	Molecular_Weight	111.11
2861016	Molecular_Weight	284.29
46782912	TPSA	62.3
59896759	Mono_Isotopic_Weight	225.0449137
57235	Undefined_Bond_Stereo_Count	0
76206	Mono_Isotopic_Weight	134.0134572
172307	Undefined_Bond_Stereo_Count	0
83864197	Defined_Atom_Stereo_Count	0
102514067	Exact_Mass	144.0705781
96428	Total_Formal_Charge	0
3400822	Undefined_Atom_Stereo_Count	0
7654	Hydrogen_Bond_Donor_Count	0
11669987	Total_Formal_Charge	0
5742590	Tautomer_Count	1
700865	TPSA	72.1
99807	XLogP3-AA	3.4
46843057	Hydrogen_Bond_Acceptor_Count	5
667490	Defined_Atom_Stereo_Count	0
76013	Total_Formal_Charge	0
72734319	Undefined_Atom_Stereo_Count	0
11527635	Hydrogen_Bond_Donor_Count	4
6538983	XLogP3-AA	4.9
14866	Molecular_Weight	223.27
84602	Non-hydrogen_Atom_Count	43
91353581	Rotatable_Bond_Count	1
18737573	Structure_Complexity	118
5310979	TPSA	138
11360614	Total_Formal_Charge	0
72390	Total_Formal_Charge	0
448965	Undefined_Atom_Stereo_Count	0
3001662	Defined_Bond_Stereo_Count	0
11063855	XLogP3	4.1
121395450	Total_Formal_Charge	0
13602	Undefined_Bond_Stereo_Count	0
15950518	Isotope_Atom_Count	0
534451	XLogP3	2.2
25113635	Hydrogen_Bond_Acceptor_Count	22
55289911	Defined_Atom_Stereo_Count	0
5283741	Mono_Isotopic_Weight	416.32904526
71457280	Tautomer_Count	32
317940	Exact_Mass	239.105862047
49865355	Hydrogen_Bond_Acceptor_Count	4
94176	Exact_Mass	120.04225873
382	Hydrogen_Bond_Acceptor_Count	23
27200	TPSA	112
82052	Hydrogen_Bond_Donor_Count	0
3239844	TPSA	40.9
136709	Hydrogen_Bond_Acceptor_Count	0
20298594	XLogP3-AA	0.3
122553	Mono_Isotopic_Weight	354.230728204
66702	TPSA	103
27435	Covalent_Unit_Count	1
56665390	Defined_Bond_Stereo_Count	0
15629	Hydrogen_Bond_Donor_Count	1
6070	Hydrogen_Bond_Acceptor_Count	3
263639	XLogP3-AA	1.2
129689385	Undefined_Atom_Stereo_Count	0
7971	TPSA	33.1
5702690	Covalent_Unit_Count	3
40509	Hydrogen_Bond_Donor_Count	1
57392872	Structure_Complexity	720
398646	Undefined_Bond_Stereo_Count	0
5281575	Covalent_Unit_Count	1
57505377	XLogP3	3.3
87412180	Undefined_Bond_Stereo_Count	0
133562737	Hydrogen_Bond_Acceptor_Count	11
115763542	Undefined_Bond_Stereo_Count	0
6992086	Total_Formal_Charge	0
135471308	Structure_Complexity	257
13736254	Covalent_Unit_Count	1
7108	Non-hydrogen_Atom_Count	14
10047141	Rotatable_Bond_Count	5
550922	Undefined_Bond_Stereo_Count	0
12278364	Covalent_Unit_Count	1
24450	Non-hydrogen_Atom_Count	7
123608	Covalent_Unit_Count	2
13302066	Rotatable_Bond_Count	3
103786	Defined_Atom_Stereo_Count	0
657298	Mono_Isotopic_Weight	170.05138412
676399	Defined_Atom_Stereo_Count	1
5311360	Undefined_Bond_Stereo_Count	0
131876601	Defined_Atom_Stereo_Count	19
11254	Hydrogen_Bond_Donor_Count	0
17414	Structure_Complexity	415
15778463	Undefined_Atom_Stereo_Count	0
16220172	Isotope_Atom_Count	0
171409	Rotatable_Bond_Count	15
121843	Non-hydrogen_Atom_Count	24
83433	Isotope_Atom_Count	0
60150609	Exact_Mass	477.10619911
38010	Covalent_Unit_Count	3
77456	Defined_Atom_Stereo_Count	0
72014	Covalent_Unit_Count	1
57396607	Undefined_Atom_Stereo_Count	1
18522	Defined_Bond_Stereo_Count	0
208	Molecular_Weight	260.14
448222	Hydrogen_Bond_Acceptor_Count	8
9848628	XLogP3-AA	0
5663	Isotope_Atom_Count	0
2656	Non-hydrogen_Atom_Count	36
10466908	Mono_Isotopic_Weight	242.105527694
23684896	Molecular_Weight	161.16
13582	Undefined_Bond_Stereo_Count	0
5953	Molecular_Weight	324.4
14219	Hydrogen_Bond_Donor_Count	4
12508	Undefined_Bond_Stereo_Count	0
48883	Exact_Mass	356.1283001
17994152	Mono_Isotopic_Weight	62.036779430
72941955	Total_Formal_Charge	0
763936	Rotatable_Bond_Count	1
8929	Covalent_Unit_Count	2
31388	Mono_Isotopic_Weight	204.9964274
457193	Tautomer_Count	1000
8823	Isotope_Atom_Count	0
24765714	Isotope_Atom_Count	0
10309899	Defined_Bond_Stereo_Count	0
69007	Hydrogen_Bond_Acceptor_Count	8
169	Hydrogen_Bond_Acceptor_Count	4
11488705	Mono_Isotopic_Weight	489.24277005
58831415	Hydrogen_Bond_Donor_Count	8
9935274	Structure_Complexity	624
74320	Rotatable_Bond_Count	2
49855364	Mono_Isotopic_Weight	567.23041111
21681979	Structure_Complexity	143
53818	Undefined_Bond_Stereo_Count	0
9852904	Structure_Complexity	1160
3951	Exact_Mass	408.19367399
44560808	Covalent_Unit_Count	1
16139342	Molecular_Weight	4858
4561	Covalent_Unit_Count	1
85838693	Structure_Complexity	79.7
56973549	Defined_Atom_Stereo_Count	0
38286	Exact_Mass	327.1237359
71661882	Defined_Bond_Stereo_Count	0
7451	Hydrogen_Bond_Acceptor_Count	2
14714336	Rotatable_Bond_Count	0
438	Isotope_Atom_Count	0
20623563	Mono_Isotopic_Weight	109.052763847
67641738	Hydrogen_Bond_Donor_Count	5
52948843	Non-hydrogen_Atom_Count	25
9061	Non-hydrogen_Atom_Count	13
17819	Tautomer_Count	13
135542606	Isotope_Atom_Count	0
39485	Isotope_Atom_Count	0
30856	Rotatable_Bond_Count	0
24808	Molecular_Weight	158.35
163962080	XLogP3-AA	0.2
5281034	Rotatable_Bond_Count	0
2723770	Rotatable_Bond_Count	0
14116441	Undefined_Atom_Stereo_Count	0
494023	Hydrogen_Bond_Donor_Count	8
25201794	XLogP3-AA	3.9
6916033	Undefined_Atom_Stereo_Count	0
80654	Undefined_Bond_Stereo_Count	0
208952	Isotope_Atom_Count	0
25023859	Non-hydrogen_Atom_Count	33
9366	Tautomer_Count	1
4224	Covalent_Unit_Count	1
4612	Exact_Mass	279.15829154
16767478	Mono_Isotopic_Weight	109.063997236
102692	Mono_Isotopic_Weight	116.120115130
23662384	Covalent_Unit_Count	3
1991	Undefined_Bond_Stereo_Count	0
14435658	Defined_Bond_Stereo_Count	0
139580	TPSA	0
656668	Total_Formal_Charge	0
74255	Tautomer_Count	1
51432351	Structure_Complexity	609
774262	Undefined_Atom_Stereo_Count	0
11355464	Undefined_Atom_Stereo_Count	1
11115809	TPSA	235
287	Undefined_Atom_Stereo_Count	2
32872	XLogP3	4.1
11936	TPSA	0
77342	XLogP3-AA	0
3060	Defined_Atom_Stereo_Count	0
129872	Undefined_Bond_Stereo_Count	0
15811016	Mono_Isotopic_Weight	182.018755
73461	TPSA	193
12193653	Rotatable_Bond_Count	1
498233	Undefined_Bond_Stereo_Count	0
89708952	Non-hydrogen_Atom_Count	8
69983	Tautomer_Count	1
154549233	Non-hydrogen_Atom_Count	7
156599244	XLogP3-AA	5.1
90691368	Covalent_Unit_Count	1
74823	Non-hydrogen_Atom_Count	17
410087	Hydrogen_Bond_Donor_Count	0
60006708	XLogP3-AA	1.3
6015	Defined_Atom_Stereo_Count	0
20392754	Covalent_Unit_Count	1
96400	Defined_Atom_Stereo_Count	0
13118	Exact_Mass	360.08183212
16219676	Tautomer_Count	6
10572530	TPSA	91.8
89399042	Mono_Isotopic_Weight	107.048347172
53881088	TPSA	57.9
2137	XLogP3	3
76968505	Molecular_Weight	325.9
11104792	Rotatable_Bond_Count	10
10215	Hydrogen_Bond_Acceptor_Count	3
6562	Isotope_Atom_Count	0
16682738	Undefined_Bond_Stereo_Count	0
3392711	Isotope_Atom_Count	0
7895	Defined_Atom_Stereo_Count	0
24020	Rotatable_Bond_Count	4
136121	Defined_Bond_Stereo_Count	0
1481733	Hydrogen_Bond_Donor_Count	2
78099560	Exact_Mass	462.1686514
64510	XLogP3-AA	1.8
67858481	XLogP3-AA	0
545127	Covalent_Unit_Count	1
12085	Molecular_Weight	248.02
156693	Undefined_Atom_Stereo_Count	0
441328	Undefined_Atom_Stereo_Count	0
60155273	Covalent_Unit_Count	1
61739	Covalent_Unit_Count	1
3467	Undefined_Atom_Stereo_Count	13
735833	Exact_Mass	166.04300762
12140167	Mono_Isotopic_Weight	110.03409409
7015191	TPSA	69.1
6914152	Molecular_Weight	448.4
10152654	Undefined_Bond_Stereo_Count	0
69332494	Isotope_Atom_Count	0
67412	Non-hydrogen_Atom_Count	10
933147	Structure_Complexity	360
13397	TPSA	20.2
6453608	Mono_Isotopic_Weight	361.240564612
24987	TPSA	38.8
17904650	TPSA	41.1
170833	Hydrogen_Bond_Donor_Count	1
13710569	Total_Formal_Charge	0
67419859	Rotatable_Bond_Count	11
143291	Total_Formal_Charge	0
22875828	Non-hydrogen_Atom_Count	28
136142	Covalent_Unit_Count	1
5288365	TPSA	177
11051583	Undefined_Atom_Stereo_Count	0
640753	Structure_Complexity	142
96373	Rotatable_Bond_Count	2
65565	Tautomer_Count	45
643327	Hydrogen_Bond_Donor_Count	2
54111025	Defined_Bond_Stereo_Count	0
21631	Undefined_Bond_Stereo_Count	0
52148	TPSA	75.6
445555	TPSA	183
55840	Undefined_Atom_Stereo_Count	0
7534	Structure_Complexity	363
135431094	Structure_Complexity	2510
16132350	Hydrogen_Bond_Donor_Count	63
23574312	Undefined_Atom_Stereo_Count	0
25171666	Non-hydrogen_Atom_Count	25
75606	TPSA	66.4
493082	Covalent_Unit_Count	1
6872	XLogP3	3.3
77072	XLogP3-AA	11.8
9576891	XLogP3-AA	2.2
5808	Molecular_Weight	211.26
62760	Tautomer_Count	1
6534	Covalent_Unit_Count	1
22718913	Total_Formal_Charge	0
85944	Non-hydrogen_Atom_Count	11
23335676	Isotope_Atom_Count	0
10152654	Hydrogen_Bond_Acceptor_Count	9
5367760	Molecular_Weight	154.25
75755	Defined_Atom_Stereo_Count	0
139626115	Total_Formal_Charge	0
67651264	Rotatable_Bond_Count	2
9941379	Tautomer_Count	1000
13545127	Defined_Atom_Stereo_Count	0
81472	XLogP3-AA	0.6
57401682	Structure_Complexity	677
21996040	TPSA	20.2
8207	TPSA	20.2
9603	Non-hydrogen_Atom_Count	8
13379	Exact_Mass	142.172150702
192160	Rotatable_Bond_Count	0
117736498	Total_Formal_Charge	0
134693124	Isotope_Atom_Count	0
8432	XLogP3-AA	2.5
56666742	TPSA	108
448979	Tautomer_Count	1
21642823	Molecular_Weight	120.15
72941969	Defined_Atom_Stereo_Count	39
55342	XLogP3-AA	4
9973981	XLogP3-AA	3.6
72016	Exact_Mass	216.126263138
7949	Structure_Complexity	80.6
158506	Isotope_Atom_Count	0
129815925	Isotope_Atom_Count	0
5282451	Structure_Complexity	626
6918406	Hydrogen_Bond_Acceptor_Count	11
108166	Structure_Complexity	913
9949848	Non-hydrogen_Atom_Count	25
7569	Non-hydrogen_Atom_Count	29
9570985	Rotatable_Bond_Count	7
5355732	Tautomer_Count	1
6917972	Mono_Isotopic_Weight	247.963896
4687	Undefined_Atom_Stereo_Count	0
142773668	Hydrogen_Bond_Donor_Count	1
439168	Undefined_Bond_Stereo_Count	0
305444	Undefined_Bond_Stereo_Count	0
11203271	Hydrogen_Bond_Acceptor_Count	7
12786810	Structure_Complexity	95.6
7362	Hydrogen_Bond_Acceptor_Count	2
23131983	Non-hydrogen_Atom_Count	8
87280025	Defined_Bond_Stereo_Count	0
90898717	Rotatable_Bond_Count	0
146156670	Total_Formal_Charge	0
119097331	Non-hydrogen_Atom_Count	7
54585032	Total_Formal_Charge	0
4912	Undefined_Atom_Stereo_Count	0
56927690	Hydrogen_Bond_Donor_Count	6
14781	Undefined_Atom_Stereo_Count	0
31620	Undefined_Bond_Stereo_Count	0
12871715	Isotope_Atom_Count	0
108424	Hydrogen_Bond_Donor_Count	1
151726	Undefined_Bond_Stereo_Count	0
3564	Covalent_Unit_Count	1
42006	Rotatable_Bond_Count	2
142906448	Defined_Bond_Stereo_Count	0
59324	Hydrogen_Bond_Acceptor_Count	4
53486288	Undefined_Atom_Stereo_Count	1
57401370	Defined_Atom_Stereo_Count	1
8820	Non-hydrogen_Atom_Count	7
23663939	Hydrogen_Bond_Donor_Count	4
75712	Undefined_Bond_Stereo_Count	0
1652	Defined_Bond_Stereo_Count	0
197383	Hydrogen_Bond_Donor_Count	1
6427080	XLogP3-AA	2.6
137704806	Undefined_Bond_Stereo_Count	0
71680844	Rotatable_Bond_Count	4
59022	Hydrogen_Bond_Acceptor_Count	2
144179158	Defined_Bond_Stereo_Count	0
11306	Non-hydrogen_Atom_Count	12
12037	Undefined_Atom_Stereo_Count	0
92943	Exact_Mass	392.246378268
83975	Undefined_Bond_Stereo_Count	0
136247302	Exact_Mass	391.262362685
53846425	Hydrogen_Bond_Donor_Count	3
101582408	Hydrogen_Bond_Donor_Count	2
19350299	TPSA	54.3
44395089	Covalent_Unit_Count	1
22091031	Exact_Mass	114.068079557
15951489	Molecular_Weight	372.4
91563	Covalent_Unit_Count	1
31365	Undefined_Atom_Stereo_Count	2
128872	Defined_Atom_Stereo_Count	0
3122	Exact_Mass	225.07660961
3052777	Non-hydrogen_Atom_Count	25
134129849	Undefined_Atom_Stereo_Count	0
13573329	Non-hydrogen_Atom_Count	8
7098617	Isotope_Atom_Count	0
11937	Defined_Atom_Stereo_Count	0
46841499	Rotatable_Bond_Count	7
24888274	Isotope_Atom_Count	0
21817601	Isotope_Atom_Count	0
107275	XLogP3-AA	1.6
838267	XLogP3-AA	3.3
11372	Rotatable_Bond_Count	0
16678407	Structure_Complexity	552
72171	Undefined_Bond_Stereo_Count	0
87251056	Structure_Complexity	174
91566861	Mono_Isotopic_Weight	108.093900383
104778	Isotope_Atom_Count	0
361502	Defined_Atom_Stereo_Count	0
49862628	Molecular_Weight	410.9
3073	XLogP3	0.6
11240435	Defined_Bond_Stereo_Count	0
6195	TPSA	17.1
22611003	TPSA	95.2
123645524	Non-hydrogen_Atom_Count	85
62235131	Undefined_Atom_Stereo_Count	0
148673	Hydrogen_Bond_Acceptor_Count	6
20656311	Hydrogen_Bond_Donor_Count	0
11987858	Rotatable_Bond_Count	0
11170867	Molecular_Weight	1435.6
87096	TPSA	62.9
2449	Tautomer_Count	127
11979781	TPSA	356
67631	Tautomer_Count	1
7115	TPSA	0
10419143	Rotatable_Bond_Count	3
91612119	Covalent_Unit_Count	1
24868269	Undefined_Atom_Stereo_Count	0
10979	Covalent_Unit_Count	1
70689350	Hydrogen_Bond_Acceptor_Count	6
151261	Isotope_Atom_Count	0
9550	Non-hydrogen_Atom_Count	3
129711560	Defined_Atom_Stereo_Count	0
5850	Structure_Complexity	201
53323740	Defined_Atom_Stereo_Count	0
66885	Exact_Mass	198.08920892
243858	Isotope_Atom_Count	0
47118	TPSA	0
4722595	XLogP3-AA	3.5
60203	Defined_Bond_Stereo_Count	0
165363121	Defined_Bond_Stereo_Count	0
146158389	Undefined_Atom_Stereo_Count	0
67320864	Molecular_Weight	113.11
12285822	Undefined_Bond_Stereo_Count	0
61067	Molecular_Weight	116.16
943	Rotatable_Bond_Count	0
13316167	Undefined_Bond_Stereo_Count	0
4362	Rotatable_Bond_Count	1
5281771	Structure_Complexity	1230
5354043	Tautomer_Count	1
7810	Total_Formal_Charge	0
62787	Exact_Mass	195.125928785
156358	Defined_Atom_Stereo_Count	0
874	Non-hydrogen_Atom_Count	9
11500493	Hydrogen_Bond_Donor_Count	2
6857538	Covalent_Unit_Count	1
7594	Hydrogen_Bond_Donor_Count	2
62873	Hydrogen_Bond_Acceptor_Count	6
226274	TPSA	43.1
22212137	TPSA	18.5
14322	Hydrogen_Bond_Donor_Count	1
5484444	XLogP3	2.9
24776149	Undefined_Bond_Stereo_Count	0
75791	XLogP3	1.2
65737	Isotope_Atom_Count	0
55804	Defined_Bond_Stereo_Count	0
11286483	Hydrogen_Bond_Acceptor_Count	2
25025505	Rotatable_Bond_Count	7
83953	Undefined_Atom_Stereo_Count	0
7068	TPSA	117
524409	Hydrogen_Bond_Donor_Count	0
446541	Total_Formal_Charge	0
146157761	Hydrogen_Bond_Donor_Count	3
456058	Defined_Atom_Stereo_Count	7
30858	Undefined_Bond_Stereo_Count	0
12882493	Exact_Mass	112.088815002
160531	TPSA	34.1
2655	Covalent_Unit_Count	1
22137184	Defined_Atom_Stereo_Count	0
91571687	Non-hydrogen_Atom_Count	7
675	Non-hydrogen_Atom_Count	11
364849	Total_Formal_Charge	0
7777	Undefined_Bond_Stereo_Count	0
133637885	Isotope_Atom_Count	0
4058	Exact_Mass	247.157228913
22138513	Mono_Isotopic_Weight	102.068079557
3033677	Exact_Mass	411.14167629
62305	Structure_Complexity	956
13401998	Mono_Isotopic_Weight	99.068413911
5246202	Molecular_Weight	290.23
6472	Rotatable_Bond_Count	8
13601826	Undefined_Atom_Stereo_Count	1
138813	XLogP3-AA	0.9
91623917	Covalent_Unit_Count	1
198212	Non-hydrogen_Atom_Count	13
91683	Rotatable_Bond_Count	3
107144	Structure_Complexity	70.5
25142175	Hydrogen_Bond_Donor_Count	2
8936	Mono_Isotopic_Weight	810.42037944
155920671	Hydrogen_Bond_Acceptor_Count	6
12031	Undefined_Atom_Stereo_Count	0
57110036	Defined_Atom_Stereo_Count	0
11358	Total_Formal_Charge	0
441332	Mono_Isotopic_Weight	368.25627424
647120	Hydrogen_Bond_Acceptor_Count	5
351835	Undefined_Atom_Stereo_Count	6
54541930	Undefined_Bond_Stereo_Count	0
5384136	Covalent_Unit_Count	2
73357	Non-hydrogen_Atom_Count	82
13679	Undefined_Atom_Stereo_Count	0
75605138	Exact_Mass	428.0618375
2179	Exact_Mass	393.11471265
16720	Non-hydrogen_Atom_Count	12
72809410	Hydrogen_Bond_Donor_Count	1
518713	Covalent_Unit_Count	1
7899	Total_Formal_Charge	0
447278	Undefined_Bond_Stereo_Count	0
136649217	Undefined_Atom_Stereo_Count	3
25011728	Undefined_Atom_Stereo_Count	0
5937	TPSA	104
54003766	Exact_Mass	93.057849228
23381756	Exact_Mass	99.032028402
188966	Rotatable_Bond_Count	6
102590130	Isotope_Atom_Count	0
61024	Defined_Bond_Stereo_Count	0
129831313	Defined_Bond_Stereo_Count	0
63985	Structure_Complexity	763
722163	Structure_Complexity	512
5635	Non-hydrogen_Atom_Count	24
29373	TPSA	37.3
92114	Molecular_Weight	393.5
20343396	Defined_Bond_Stereo_Count	0
108037	Isotope_Atom_Count	0
225710	Hydrogen_Bond_Acceptor_Count	4
151175776	TPSA	51.6
153909	Exact_Mass	395.08995445
108156	Tautomer_Count	1
247839	Hydrogen_Bond_Donor_Count	1
10909508	Total_Formal_Charge	0
1530	TPSA	56.7
458645	Exact_Mass	418.2512821
20357	Structure_Complexity	114
69026	Mono_Isotopic_Weight	216.83740
76720	Defined_Bond_Stereo_Count	0
54272739	Undefined_Atom_Stereo_Count	0
54427	Mono_Isotopic_Weight	263.105862047
10654421	Mono_Isotopic_Weight	153.053826475
12313474	Undefined_Bond_Stereo_Count	0
9830667	Covalent_Unit_Count	1
59503411	Undefined_Bond_Stereo_Count	0
25132069	Non-hydrogen_Atom_Count	26
537329	Mono_Isotopic_Weight	170.203450829
11860544	Undefined_Atom_Stereo_Count	0
53627567	Defined_Atom_Stereo_Count	0
135705228	Defined_Atom_Stereo_Count	0
46205733	Isotope_Atom_Count	0
19910037	Covalent_Unit_Count	1
10149453	TPSA	107
9306	Total_Formal_Charge	0
6580	Covalent_Unit_Count	1
71234	Undefined_Bond_Stereo_Count	0
11525116	Tautomer_Count	3
7406	Hydrogen_Bond_Acceptor_Count	0
92416	Exact_Mass	295.1087545
12285879	Mono_Isotopic_Weight	180.06338810
61191	Covalent_Unit_Count	1
8051	Covalent_Unit_Count	1
60966	Exact_Mass	91.099714038
625469	Rotatable_Bond_Count	3
4560	TPSA	20.2
135522261	Covalent_Unit_Count	1
2372	Covalent_Unit_Count	1
517546	Molecular_Weight	225.3
692159	Molecular_Weight	338.2
53119	Isotope_Atom_Count	0
524410	Covalent_Unit_Count	1
54408458	Total_Formal_Charge	0
96160	Exact_Mass	69.057849228
21339024	Undefined_Atom_Stereo_Count	3
524215	Mono_Isotopic_Weight	106.078250319
53466	Exact_Mass	279.100776666
21786	Defined_Bond_Stereo_Count	0
60613	Hydrogen_Bond_Acceptor_Count	6
8892	Mono_Isotopic_Weight	116.083729621
71270	Total_Formal_Charge	0
145438	TPSA	0
19651	Total_Formal_Charge	0
6059187	Defined_Atom_Stereo_Count	0
53870634	Total_Formal_Charge	0
47289	Tautomer_Count	2
53385491	Covalent_Unit_Count	1
134129849	Defined_Atom_Stereo_Count	17
521156	Rotatable_Bond_Count	2
71755913	TPSA	53.2
5311201	Isotope_Atom_Count	0
6433192	Covalent_Unit_Count	2
588352	Non-hydrogen_Atom_Count	18
22153558	Hydrogen_Bond_Acceptor_Count	1
70014	Hydrogen_Bond_Acceptor_Count	4
75358112	Mono_Isotopic_Weight	405.25873385
3839223	Defined_Bond_Stereo_Count	0
83063	Non-hydrogen_Atom_Count	13
37109	Rotatable_Bond_Count	1
65776	Defined_Bond_Stereo_Count	0
70615	Total_Formal_Charge	0
12554265	TPSA	54
81150	Structure_Complexity	415
91779	Total_Formal_Charge	0
31779	XLogP3	3.7
730852	Isotope_Atom_Count	0
155143	Rotatable_Bond_Count	10
41466	Mono_Isotopic_Weight	130.074227566
11431912	Hydrogen_Bond_Donor_Count	2
65111	Covalent_Unit_Count	1
541087	Isotope_Atom_Count	0
24802109	Defined_Bond_Stereo_Count	0
90935301	Hydrogen_Bond_Donor_Count	0
11018839	Rotatable_Bond_Count	1
10143016	Total_Formal_Charge	0
546259	Mono_Isotopic_Weight	192.151415257
9938	Covalent_Unit_Count	1
44310775	Undefined_Bond_Stereo_Count	0
136704	Hydrogen_Bond_Acceptor_Count	0
33473	Undefined_Atom_Stereo_Count	0
15805	Exact_Mass	461.2121570
76973216	Hydrogen_Bond_Donor_Count	4
5281727	Molecular_Weight	256.30
614100	Mono_Isotopic_Weight	254.130679813
19877808	TPSA	36.3
15206928	Hydrogen_Bond_Acceptor_Count	2
24900750	Defined_Atom_Stereo_Count	1
3277600	Exact_Mass	286.08883226
60196316	Molecular_Weight	387.0
462919	Hydrogen_Bond_Donor_Count	3
1345	XLogP3-AA	5.5
9919265	Hydrogen_Bond_Donor_Count	4
14985552	Hydrogen_Bond_Donor_Count	0
6641	TPSA	18.5
14970970	Undefined_Bond_Stereo_Count	0
34154	Isotope_Atom_Count	0
8834	Total_Formal_Charge	0
517296	Hydrogen_Bond_Donor_Count	4
24832091	Hydrogen_Bond_Acceptor_Count	11
21973793	Mono_Isotopic_Weight	98.084398327
66704467	Isotope_Atom_Count	0
11655069	Rotatable_Bond_Count	7
22212137	Covalent_Unit_Count	1
54111	Mono_Isotopic_Weight	289.0401358
34574	Exact_Mass	241.085126602
18932022	Undefined_Bond_Stereo_Count	0
72924	Defined_Bond_Stereo_Count	0
5282315	Exact_Mass	821.49254132
15715874	TPSA	52
6908	TPSA	0
46936613	TPSA	135
148189	Defined_Atom_Stereo_Count	1
3086516	TPSA	78.3
23667301	Mono_Isotopic_Weight	372.10073922
12692921	Defined_Atom_Stereo_Count	0
14474501	Exact_Mass	98.036779430
18908	TPSA	9.2
667498	Exact_Mass	275.16337692
12416832	Isotope_Atom_Count	0
14871	Rotatable_Bond_Count	14
45116617	Mono_Isotopic_Weight	101.084063974
86308574	Undefined_Bond_Stereo_Count	0
440274	Tautomer_Count	2
10138260	Rotatable_Bond_Count	6
11908386	Defined_Atom_Stereo_Count	10
49806720	Defined_Atom_Stereo_Count	0
11806375	Structure_Complexity	246
6428543	XLogP3-AA	1.7
68646	Hydrogen_Bond_Donor_Count	2
68842	Hydrogen_Bond_Donor_Count	1
103392307	Hydrogen_Bond_Acceptor_Count	1
243859	Isotope_Atom_Count	0
60753	XLogP3-AA	4
57091294	Hydrogen_Bond_Donor_Count	1
86876	Molecular_Weight	168.19
11051584	TPSA	20.2
46964	Defined_Bond_Stereo_Count	0
3061	Defined_Atom_Stereo_Count	0
79804	Mono_Isotopic_Weight	153.9159246
5311243	Defined_Atom_Stereo_Count	5
23317073	Rotatable_Bond_Count	1
237662	Total_Formal_Charge	0
642	Total_Formal_Charge	0
25090818	Molecular_Weight	446.4
5281104	Non-hydrogen_Atom_Count	30
22812306	Defined_Bond_Stereo_Count	0
464205	Exact_Mass	287.07834094
72474	Defined_Bond_Stereo_Count	0
26473	Isotope_Atom_Count	0
57390217	Exact_Mass	513.27399000
49803313	Total_Formal_Charge	0
12490222	Rotatable_Bond_Count	0
3795601	Isotope_Atom_Count	0
6476333	Molecular_Weight	624.6
46937142	Defined_Bond_Stereo_Count	0
436542	Mono_Isotopic_Weight	207.104799419
5352435	Isotope_Atom_Count	0
5374046	Undefined_Bond_Stereo_Count	0
13235	Non-hydrogen_Atom_Count	13
79414	Defined_Atom_Stereo_Count	0
90927	Defined_Bond_Stereo_Count	0
10446567	XLogP3-AA	2.9
23	Defined_Bond_Stereo_Count	0
13593982	TPSA	46.5
8663	Non-hydrogen_Atom_Count	11
54947	Covalent_Unit_Count	2
15679	Exact_Mass	288.04160728
26117	XLogP3	1.2
121942	Molecular_Weight	356.32
4543	Structure_Complexity	307
37968	Defined_Atom_Stereo_Count	2
21057	Exact_Mass	114.104465066
12968	Exact_Mass	189.11873540
44630020	Structure_Complexity	472
22481042	Undefined_Bond_Stereo_Count	0
85624637	Undefined_Bond_Stereo_Count	0
22269415	Defined_Atom_Stereo_Count	0
5459830	Isotope_Atom_Count	0
2042	TPSA	113
97919	Undefined_Atom_Stereo_Count	1
76223700	Total_Formal_Charge	0
137993	Isotope_Atom_Count	0
6604189	Hydrogen_Bond_Donor_Count	0
139575	Isotope_Atom_Count	0
77813014	Defined_Atom_Stereo_Count	0
13986	Tautomer_Count	1
19933060	TPSA	34.1
98490	Defined_Atom_Stereo_Count	0
522609	XLogP3-AA	3.1
129865974	Isotope_Atom_Count	0
91673	Tautomer_Count	1
9826358	Defined_Atom_Stereo_Count	7
119606	Rotatable_Bond_Count	5
13404671	Defined_Bond_Stereo_Count	0
10290812	Mono_Isotopic_Weight	129.98777838
13283	Non-hydrogen_Atom_Count	17
17757212	Undefined_Atom_Stereo_Count	0
15771	Undefined_Bond_Stereo_Count	0
73346531	XLogP3-AA	1.1
66684067	XLogP3-AA	4.3
14494974	Mono_Isotopic_Weight	100.052429494
656	Non-hydrogen_Atom_Count	47
13727	Total_Formal_Charge	0
718	Undefined_Atom_Stereo_Count	4
165359778	Rotatable_Bond_Count	6
115157	Isotope_Atom_Count	0
69521	Undefined_Bond_Stereo_Count	0
6943	Undefined_Atom_Stereo_Count	0
53914733	Covalent_Unit_Count	1
90125683	Hydrogen_Bond_Donor_Count	0
219018	Hydrogen_Bond_Donor_Count	2
6540277	Hydrogen_Bond_Acceptor_Count	5
2818985	Non-hydrogen_Atom_Count	26
1168	Rotatable_Bond_Count	10
131320	Non-hydrogen_Atom_Count	22
53264	Undefined_Atom_Stereo_Count	0
4727	Undefined_Bond_Stereo_Count	0
59015	Defined_Bond_Stereo_Count	0
5489120	Undefined_Atom_Stereo_Count	0
24194514	Defined_Bond_Stereo_Count	0
275903	Hydrogen_Bond_Donor_Count	0
146887978	Isotope_Atom_Count	0
59296114	XLogP3-AA	4.4
6420039	Tautomer_Count	1
5282459	Hydrogen_Bond_Donor_Count	0
9861	Tautomer_Count	1
23591662	Covalent_Unit_Count	1
10061	Hydrogen_Bond_Donor_Count	2
90352849	Defined_Atom_Stereo_Count	0
2723854	Structure_Complexity	877
4195974	Covalent_Unit_Count	1
11831	Rotatable_Bond_Count	0
25160	TPSA	46.6
44468216	Hydrogen_Bond_Acceptor_Count	8
14092185	Total_Formal_Charge	0
7966	Defined_Bond_Stereo_Count	0
23537	Tautomer_Count	3
20317822	Covalent_Unit_Count	1
54150248	Isotope_Atom_Count	0
59184	Exact_Mass	259.06669983
101977	Defined_Bond_Stereo_Count	0
146681183	Defined_Atom_Stereo_Count	0
10492	Rotatable_Bond_Count	0
20543	Rotatable_Bond_Count	10
1738	Rotatable_Bond_Count	3
14434846	Hydrogen_Bond_Donor_Count	0
15405197	Undefined_Atom_Stereo_Count	1
121290475	Defined_Bond_Stereo_Count	0
90774590	Defined_Atom_Stereo_Count	0
53947578	Defined_Bond_Stereo_Count	0
154285117	Covalent_Unit_Count	1
219145	Hydrogen_Bond_Donor_Count	0
91820142	Molecular_Weight	665.7
10102	Hydrogen_Bond_Acceptor_Count	0
86063	Undefined_Atom_Stereo_Count	1
3032854	Undefined_Atom_Stereo_Count	1
75786	Undefined_Bond_Stereo_Count	0
61016	Defined_Atom_Stereo_Count	0
30137	Covalent_Unit_Count	1
16212480	Rotatable_Bond_Count	18
20255128	Undefined_Bond_Stereo_Count	0
18408476	Covalent_Unit_Count	1
60196418	XLogP3-AA	2.9
82828	Structure_Complexity	2
54680693	Covalent_Unit_Count	3
53384398	Covalent_Unit_Count	1
57369411	Isotope_Atom_Count	3
6627	Hydrogen_Bond_Donor_Count	0
5282108	Hydrogen_Bond_Acceptor_Count	1
12221	Non-hydrogen_Atom_Count	4
2317	Hydrogen_Bond_Donor_Count	4
64142	Defined_Atom_Stereo_Count	5
145606779	Total_Formal_Charge	0
154416437	Hydrogen_Bond_Acceptor_Count	1
27686	Covalent_Unit_Count	1
6316	Exact_Mass	260.0927701
86	Rotatable_Bond_Count	1
11499	Defined_Atom_Stereo_Count	0
10317	Hydrogen_Bond_Donor_Count	2
53952576	Exact_Mass	96.093900383
23976	Isotope_Atom_Count	0
56673689	Exact_Mass	473.21753775
24771824	Covalent_Unit_Count	1
534012	Isotope_Atom_Count	0
10899357	Covalent_Unit_Count	1
23675274	Rotatable_Bond_Count	3
91392	Exact_Mass	243.982463
620	Exact_Mass	411.03450107
36119	Covalent_Unit_Count	1
98488	Defined_Atom_Stereo_Count	0
16732312	Hydrogen_Bond_Acceptor_Count	6
5281066	Exact_Mass	522.20021592
51371732	Structure_Complexity	451
45738	Non-hydrogen_Atom_Count	25
4377949	Tautomer_Count	1
163276251	Hydrogen_Bond_Acceptor_Count	2
246983	Non-hydrogen_Atom_Count	31
50901	Tautomer_Count	3
10478	Isotope_Atom_Count	0
90829381	Total_Formal_Charge	0
9547222	Covalent_Unit_Count	1
128563	TPSA	109
13450501	Rotatable_Bond_Count	1
16412	Structure_Complexity	202
45182	Non-hydrogen_Atom_Count	19
66187	Total_Formal_Charge	0
44264589	Covalent_Unit_Count	1
10076625	XLogP3-AA	4.3
11632737	Mono_Isotopic_Weight	401.11218768
114750	Isotope_Atom_Count	0
135409468	Hydrogen_Bond_Donor_Count	2
73707447	Rotatable_Bond_Count	12
6561	XLogP3-AA	0.8
74754	Defined_Bond_Stereo_Count	0
15306	Undefined_Bond_Stereo_Count	1
25271810	Hydrogen_Bond_Donor_Count	1
12654270	Structure_Complexity	101
91501151	Hydrogen_Bond_Donor_Count	0
45878	Rotatable_Bond_Count	4
520148	Exact_Mass	206.130679813
8813	Defined_Bond_Stereo_Count	0
1664	Defined_Atom_Stereo_Count	0
3001860	Covalent_Unit_Count	1
41185	Defined_Bond_Stereo_Count	0
54587226	Molecular_Weight	366.4
25134692	Isotope_Atom_Count	0
619446	Undefined_Bond_Stereo_Count	0
4915	Undefined_Atom_Stereo_Count	0
10645	Defined_Atom_Stereo_Count	0
9934507	Molecular_Weight	377.5
19100334	Defined_Atom_Stereo_Count	0
41545	Undefined_Atom_Stereo_Count	0
68363	Defined_Atom_Stereo_Count	0
403648	Mono_Isotopic_Weight	382.98249
53977	Tautomer_Count	1
71683048	Undefined_Bond_Stereo_Count	0
3081561	Defined_Bond_Stereo_Count	0
68019	Mono_Isotopic_Weight	206.0638410
167495	Defined_Bond_Stereo_Count	0
89990643	Defined_Atom_Stereo_Count	0
80972	Defined_Bond_Stereo_Count	0
71323	Covalent_Unit_Count	1
16138787	XLogP3-AA	1.2
680	Covalent_Unit_Count	1
76539	Total_Formal_Charge	0
274418	Mono_Isotopic_Weight	124.052429494
16426	Undefined_Bond_Stereo_Count	0
441345	Isotope_Atom_Count	0
138107735	Structure_Complexity	756
11389423	Mono_Isotopic_Weight	138.140850574
94097	Covalent_Unit_Count	1
54580051	Molecular_Weight	439.6
60809	TPSA	66.5
96776	Undefined_Atom_Stereo_Count	0
675901	Rotatable_Bond_Count	3
59704100	XLogP3-AA	0.4
3647458	TPSA	41.1
59755609	Covalent_Unit_Count	1
42239	Undefined_Atom_Stereo_Count	0
4594378	Non-hydrogen_Atom_Count	15
30360	XLogP3	1.5
28754	Exact_Mass	426.25185757
13373005	Hydrogen_Bond_Acceptor_Count	11
5408543	Undefined_Bond_Stereo_Count	0
13018409	Hydrogen_Bond_Donor_Count	1
6435993	Covalent_Unit_Count	2
89280865	Undefined_Atom_Stereo_Count	1
165157	Molecular_Weight	887.0
98468	Mono_Isotopic_Weight	223.136099547
854418	Defined_Atom_Stereo_Count	0
11325699	Exact_Mass	354.0328724
16052011	Molecular_Weight	1329.5
5282517	Total_Formal_Charge	0
6028462	Isotope_Atom_Count	0
141019	Exact_Mass	98.036779430
136183446	XLogP3-AA	5.4
71776101	Undefined_Bond_Stereo_Count	0
25793	Covalent_Unit_Count	1
65351	Mono_Isotopic_Weight	147.01764164
6918639	Total_Formal_Charge	0
398740	Total_Formal_Charge	0
653145	Rotatable_Bond_Count	2
102600809	Hydrogen_Bond_Donor_Count	6
29696	Undefined_Atom_Stereo_Count	0
16129682	Undefined_Atom_Stereo_Count	34
5288390	Molecular_Weight	316.31
102063093	Covalent_Unit_Count	1
84339	Rotatable_Bond_Count	2
448042	Exact_Mass	247.168462302
12082850	Undefined_Bond_Stereo_Count	0
6505	Hydrogen_Bond_Donor_Count	0
21983433	Molecular_Weight	293.49
170254	Isotope_Atom_Count	0
12303360	Hydrogen_Bond_Donor_Count	0
25244017	Defined_Bond_Stereo_Count	0
67686	Structure_Complexity	336
240109	Rotatable_Bond_Count	0
46936192	Isotope_Atom_Count	0
67214459	Molecular_Weight	111.14
71517366	Hydrogen_Bond_Acceptor_Count	8
56955180	TPSA	56.7
12701621	Hydrogen_Bond_Acceptor_Count	3
137118	Undefined_Atom_Stereo_Count	0
145994872	Hydrogen_Bond_Acceptor_Count	4
137184	Undefined_Atom_Stereo_Count	0
225688	Defined_Bond_Stereo_Count	0
23677960	Rotatable_Bond_Count	1
44570384	Total_Formal_Charge	0
69536	Rotatable_Bond_Count	5
114743	Hydrogen_Bond_Donor_Count	1
3769881	Hydrogen_Bond_Donor_Count	1
6437875	Exact_Mass	215.09060590
3478696	Covalent_Unit_Count	1
72199539	Total_Formal_Charge	1
529279	XLogP3-AA	3.3
60585	Hydrogen_Bond_Donor_Count	5
47544	TPSA	21.7
3495982	Mono_Isotopic_Weight	250.07759887
12543	Rotatable_Bond_Count	2
14103059	Undefined_Bond_Stereo_Count	0
14206225	Molecular_Weight	100.12
21331	Undefined_Atom_Stereo_Count	0
78521	Hydrogen_Bond_Donor_Count	3
143847825	Isotope_Atom_Count	0
8406	Hydrogen_Bond_Donor_Count	1
441174	Non-hydrogen_Atom_Count	41
16114800	Molecular_Weight	1001.1
57397762	Hydrogen_Bond_Acceptor_Count	5
22273998	Exact_Mass	99.043261792
57391205	Exact_Mass	494.18754324
535870	Undefined_Bond_Stereo_Count	0
825353	Rotatable_Bond_Count	4
92764	Undefined_Bond_Stereo_Count	0
686073	XLogP3-AA	2.9
2803	Tautomer_Count	2
65573725	Total_Formal_Charge	0
135457035	Hydrogen_Bond_Donor_Count	2
5282706	Exact_Mass	100.052429494
46225190	Isotope_Atom_Count	0
66683200	Hydrogen_Bond_Donor_Count	1
15109	Covalent_Unit_Count	1
17841212	Undefined_Bond_Stereo_Count	0
657238	Mono_Isotopic_Weight	402.20423867
711656	Total_Formal_Charge	0
366	TPSA	52.6
44352968	Undefined_Bond_Stereo_Count	0
6321392	TPSA	113
299369	Mono_Isotopic_Weight	112.063662883
102590130	Hydrogen_Bond_Acceptor_Count	40
851833	Exact_Mass	230.0377538
14939066	Exact_Mass	320.23270009
13976498	Hydrogen_Bond_Donor_Count	0
14306122	Structure_Complexity	328
54584750	TPSA	130
5284359	Hydrogen_Bond_Acceptor_Count	2
9885442	Undefined_Atom_Stereo_Count	0
8606	Undefined_Atom_Stereo_Count	2
139906410	Covalent_Unit_Count	1
565424	TPSA	37.3
157599173	Molecular_Weight	110.11
66156	Total_Formal_Charge	0
9874874	Total_Formal_Charge	0
154731207	Hydrogen_Bond_Acceptor_Count	13
59398673	Defined_Atom_Stereo_Count	0
6429029	XLogP3-AA	0.8
4135	Covalent_Unit_Count	1
22387107	Defined_Atom_Stereo_Count	0
7642	TPSA	52.6
71517699	Rotatable_Bond_Count	5
13159184	Defined_Bond_Stereo_Count	0
80792	TPSA	26.3
24809526	Structure_Complexity	465
102059952	Covalent_Unit_Count	1
23671430	Defined_Bond_Stereo_Count	0
8904	XLogP3-AA	3.7
4205687	Rotatable_Bond_Count	1
62662	Isotope_Atom_Count	0
12702413	XLogP3	2
135455401	Covalent_Unit_Count	1
9703	Undefined_Atom_Stereo_Count	0
12705074	Undefined_Bond_Stereo_Count	0
23663539	Hydrogen_Bond_Donor_Count	0
3086686	TPSA	77.2
7672	Defined_Bond_Stereo_Count	0
53952865	TPSA	41.5
627772	Exact_Mass	465.79785
171092	Molecular_Weight	264.4
53935056	Exact_Mass	102.115698455
175945	Covalent_Unit_Count	1
291069	Total_Formal_Charge	0
5606	Molecular_Weight	227.73
21973793	Rotatable_Bond_Count	0
38040	Exact_Mass	291.919411
142022	Molecular_Weight	66.10
917192	Undefined_Atom_Stereo_Count	0
10186986	Exact_Mass	535.21072103
71583603	Molecular_Weight	397.5
90478421	Total_Formal_Charge	0
8693	Total_Formal_Charge	0
53442174	Defined_Bond_Stereo_Count	0
139593411	Non-hydrogen_Atom_Count	140
5319754	Undefined_Bond_Stereo_Count	0
442482	Rotatable_Bond_Count	1
91857355	Defined_Atom_Stereo_Count	10
24351	Rotatable_Bond_Count	6
71296943	Mono_Isotopic_Weight	391.23587315
5360134	TPSA	31.2
135431249	Mono_Isotopic_Weight	110.048012819
135887820	XLogP3-AA	6.7
146171122	TPSA	104
54515893	Structure_Complexity	118
67338	Isotope_Atom_Count	0
196445	Exact_Mass	298.09872823
50878597	Hydrogen_Bond_Donor_Count	2
58071	Undefined_Bond_Stereo_Count	0
68888	XLogP3-AA	0.8
11815824	Exact_Mass	98.073164938
12218383	Defined_Bond_Stereo_Count	0
16129704	Defined_Atom_Stereo_Count	16
91770	Defined_Bond_Stereo_Count	0
73166146	Non-hydrogen_Atom_Count	7
95116	Exact_Mass	210.00205114
146674701	TPSA	65.9
147201521	TPSA	3
63959	Tautomer_Count	4
71358911	Defined_Bond_Stereo_Count	0
6445230	Non-hydrogen_Atom_Count	35
689	Hydrogen_Bond_Acceptor_Count	14
12198109	Undefined_Bond_Stereo_Count	0
78075	Defined_Atom_Stereo_Count	0
8799	Total_Formal_Charge	0
93706	Total_Formal_Charge	0
90438	Isotope_Atom_Count	0
9609	Non-hydrogen_Atom_Count	5
527013	TPSA	23.6
56845780	Isotope_Atom_Count	0
87248	XLogP3	9.3
140808	TPSA	38.7
123134056	Defined_Atom_Stereo_Count	0
24191	Isotope_Atom_Count	0
123919	Rotatable_Bond_Count	0
487685	Hydrogen_Bond_Donor_Count	1
71459165	Rotatable_Bond_Count	3
67707714	Undefined_Atom_Stereo_Count	2
6432418	Defined_Bond_Stereo_Count	0
16796	Total_Formal_Charge	0
3034048	Undefined_Bond_Stereo_Count	0
21306607	Hydrogen_Bond_Acceptor_Count	1
6332110	Undefined_Bond_Stereo_Count	0
3009	Defined_Bond_Stereo_Count	0
244989	Mono_Isotopic_Weight	348.14336975
20169	Molecular_Weight	312.4
85500	Structure_Complexity	543
70321834	Hydrogen_Bond_Acceptor_Count	3
126894	Isotope_Atom_Count	0
69370	Hydrogen_Bond_Acceptor_Count	2
6560210	Isotope_Atom_Count	0
54323317	Exact_Mass	303.14705815
130032075	Isotope_Atom_Count	0
85776583	Defined_Atom_Stereo_Count	0
91151945	Exact_Mass	342.11621151
76192	Total_Formal_Charge	0
66684386	Molecular_Weight	349.4
70099	Undefined_Atom_Stereo_Count	0
136266076	Defined_Atom_Stereo_Count	0
22182	Mono_Isotopic_Weight	392.1997337
193450	Total_Formal_Charge	0
20568258	Rotatable_Bond_Count	3
20136781	Structure_Complexity	1010
135413545	Covalent_Unit_Count	5
11597698	Rotatable_Bond_Count	8
3313	Hydrogen_Bond_Acceptor_Count	4
20775240	Covalent_Unit_Count	1
445456	Covalent_Unit_Count	1
12304067	Hydrogen_Bond_Acceptor_Count	4
10942665	Tautomer_Count	3
136703	Defined_Atom_Stereo_Count	0
69935742	Defined_Bond_Stereo_Count	0
9793703	Defined_Bond_Stereo_Count	0
174251	Molecular_Weight	799.6
133108869	TPSA	75.6
12192	Hydrogen_Bond_Donor_Count	0
9861147	Mono_Isotopic_Weight	300.208930132
158553	Molecular_Weight	883.8
1504097	Total_Formal_Charge	0
54585373	Isotope_Atom_Count	0
173685	Total_Formal_Charge	0
17477	Hydrogen_Bond_Acceptor_Count	7
3767	Molecular_Weight	137.14
10329	Mono_Isotopic_Weight	120.057514874
156595906	Defined_Atom_Stereo_Count	12
22788210	Defined_Bond_Stereo_Count	0
3916406	Exact_Mass	196.04840674
34852	Tautomer_Count	2
57645443	Tautomer_Count	1
33653	Isotope_Atom_Count	0
6604876	Mono_Isotopic_Weight	289.99161
74791	Tautomer_Count	1
6168	Rotatable_Bond_Count	3
71377	Isotope_Atom_Count	0
139980	Undefined_Atom_Stereo_Count	1
36573	Hydrogen_Bond_Acceptor_Count	4
135643052	Total_Formal_Charge	0
23269040	Rotatable_Bond_Count	2
86278404	TPSA	110
54572926	Undefined_Atom_Stereo_Count	0
51529	Total_Formal_Charge	0
4713	Mono_Isotopic_Weight	267.08954328
838844	Exact_Mass	237.97418
16719220	Exact_Mass	574.1208319
45344	TPSA	22.9
56672296	Exact_Mass	396.15101554
12056759	Non-hydrogen_Atom_Count	28
13306871	TPSA	40.5
14852454	Covalent_Unit_Count	1
657690	Defined_Bond_Stereo_Count	0
2618	Undefined_Bond_Stereo_Count	0
24848222	Molecular_Weight	367.5
110	Rotatable_Bond_Count	3
16351	Undefined_Atom_Stereo_Count	0
21946307	TPSA	23.8
176155	Exact_Mass	377.09981148
91305784	Total_Formal_Charge	0
87438806	Isotope_Atom_Count	0
6915	Hydrogen_Bond_Acceptor_Count	2
140638754	Isotope_Atom_Count	0
22160828	Molecular_Weight	84.12
61325	Defined_Bond_Stereo_Count	0
15552986	Exact_Mass	116.083729621
54675840	Hydrogen_Bond_Donor_Count	2
7496	XLogP3-AA	3.7
12695899	Rotatable_Bond_Count	0
16212959	Hydrogen_Bond_Acceptor_Count	6
54054905	Total_Formal_Charge	0
5280443	TPSA	87
20129	Total_Formal_Charge	0
153627081	Molecular_Weight	102.14
17028077	Covalent_Unit_Count	1
123257569	Mono_Isotopic_Weight	110.109550447
14672754	Total_Formal_Charge	0
19001504	Hydrogen_Bond_Acceptor_Count	3
26049	Mono_Isotopic_Weight	136.125200510
30475	TPSA	64.3
59896759	Undefined_Bond_Stereo_Count	0
5311010	TPSA	416
65684	Undefined_Atom_Stereo_Count	2
11519741	Defined_Atom_Stereo_Count	1
11083476	Exact_Mass	880.46760442
11597697	Undefined_Atom_Stereo_Count	0
12277679	Isotope_Atom_Count	0
3392460	Isotope_Atom_Count	0
22224184	Defined_Atom_Stereo_Count	0
22057915	XLogP3-AA	0.5
23664709	Total_Formal_Charge	0
135408511	Hydrogen_Bond_Acceptor_Count	2
36209	Undefined_Atom_Stereo_Count	0
527568	Molecular_Weight	94.15
37463	Rotatable_Bond_Count	2
15702063	Rotatable_Bond_Count	0
53755478	Undefined_Atom_Stereo_Count	0
93898	Defined_Atom_Stereo_Count	0
9297	Defined_Atom_Stereo_Count	0
161764	Molecular_Weight	628.1
91555	Undefined_Bond_Stereo_Count	0
2955	Total_Formal_Charge	0
5287851	Hydrogen_Bond_Acceptor_Count	4
3010347	Hydrogen_Bond_Donor_Count	1
489181	Defined_Atom_Stereo_Count	2
184644	Defined_Atom_Stereo_Count	12
2797	Hydrogen_Bond_Donor_Count	1
5813	Tautomer_Count	10
88323	Covalent_Unit_Count	1
81110	Exact_Mass	187.0036207
13316162	TPSA	9.2
131632475	TPSA	272
86593	Defined_Bond_Stereo_Count	0
16659681	Undefined_Bond_Stereo_Count	0
9854489	Covalent_Unit_Count	1
2072949	Defined_Bond_Stereo_Count	0
147919783	Isotope_Atom_Count	0
11332416	Isotope_Atom_Count	5
60184	Molecular_Weight	368.5
53245646	Mono_Isotopic_Weight	453.20524173
57465453	Undefined_Atom_Stereo_Count	0
166450050	Covalent_Unit_Count	1
48558	XLogP3	2.5
161656	Isotope_Atom_Count	0
22879	Mono_Isotopic_Weight	421.9555339
2775641	Defined_Atom_Stereo_Count	0
45484184	TPSA	99.8
13012673	Hydrogen_Bond_Donor_Count	1
6392641	Defined_Bond_Stereo_Count	0
70713	Tautomer_Count	1
135449332	Undefined_Bond_Stereo_Count	0
95559	Non-hydrogen_Atom_Count	8
132279451	Structure_Complexity	414
50983	Total_Formal_Charge	0
6497	Rotatable_Bond_Count	2
8470	Defined_Atom_Stereo_Count	0
6436730	Molecular_Weight	871.0
9877343	Hydrogen_Bond_Donor_Count	0
562176	XLogP3-AA	2.8
9861147	Non-hydrogen_Atom_Count	22
89374436	Mono_Isotopic_Weight	110.036779430
7	Molecular_Weight	163.18
16129681	Defined_Atom_Stereo_Count	0
12507	Hydrogen_Bond_Donor_Count	0
1016	TPSA	130
61902348	Defined_Bond_Stereo_Count	0
24536	Isotope_Atom_Count	0
36690486	Hydrogen_Bond_Acceptor_Count	2
12285892	Covalent_Unit_Count	1
145822437	XLogP3-AA	0.8
21282995	Undefined_Bond_Stereo_Count	0
632910	Defined_Atom_Stereo_Count	0
23663963	Defined_Atom_Stereo_Count	0
5324166	Rotatable_Bond_Count	2
9535	Exact_Mass	148.08995782
130553	Total_Formal_Charge	0
129664081	Total_Formal_Charge	0
70677962	TPSA	186
160554	Molecular_Weight	232.07
153856780	Undefined_Atom_Stereo_Count	0
92174	Defined_Bond_Stereo_Count	0
72724	Undefined_Bond_Stereo_Count	0
70926	Undefined_Bond_Stereo_Count	0
2724372	XLogP3	2.7
23581798	Non-hydrogen_Atom_Count	24
58340	Structure_Complexity	252
6925	Undefined_Atom_Stereo_Count	0
13235324	Non-hydrogen_Atom_Count	8
58072202	Covalent_Unit_Count	1
11936	Molecular_Weight	192.25
53456	Mono_Isotopic_Weight	249.07495584
11815316	Defined_Bond_Stereo_Count	0
83872171	Non-hydrogen_Atom_Count	7
53464	Undefined_Atom_Stereo_Count	0
444000	Hydrogen_Bond_Donor_Count	0
13653621	Molecular_Weight	420.5
54778	Undefined_Bond_Stereo_Count	0
15976	Covalent_Unit_Count	2
483998	Covalent_Unit_Count	1
102891	Isotope_Atom_Count	0
82650934	Hydrogen_Bond_Donor_Count	1
9753	Defined_Bond_Stereo_Count	0
112932	Isotope_Atom_Count	0
54584098	Structure_Complexity	300
20266	Tautomer_Count	4
5663	Non-hydrogen_Atom_Count	29
12555	Structure_Complexity	344
77274	Covalent_Unit_Count	1
10997868	Defined_Bond_Stereo_Count	0
644007	Structure_Complexity	405
3033053	Covalent_Unit_Count	1
124389585	Covalent_Unit_Count	1
10288191	Total_Formal_Charge	0
8635	Defined_Atom_Stereo_Count	0
7566944	Covalent_Unit_Count	1
71031	Hydrogen_Bond_Donor_Count	0
3595	Molecular_Weight	388.5
20607721	Structure_Complexity	96.6
124246	Structure_Complexity	665
134129703	Rotatable_Bond_Count	16
77262	Mono_Isotopic_Weight	418.91565
439243	Covalent_Unit_Count	7
73553786	Defined_Atom_Stereo_Count	0
6433192	Mono_Isotopic_Weight	892.5353131
83904773	Total_Formal_Charge	0
20361677	Defined_Bond_Stereo_Count	0
11675388	Non-hydrogen_Atom_Count	27
99922	Tautomer_Count	5
76444	XLogP3-AA	0.2
3527	Defined_Atom_Stereo_Count	0
71354	Tautomer_Count	2
129722163	TPSA	127
10158453	Undefined_Bond_Stereo_Count	0
23666110	Structure_Complexity	408
10290773	Hydrogen_Bond_Donor_Count	2
119171	Defined_Atom_Stereo_Count	0
96428	Structure_Complexity	243
5287703	Total_Formal_Charge	0
139833631	Total_Formal_Charge	0
69631	Undefined_Atom_Stereo_Count	0
12797557	Total_Formal_Charge	0
8005	Non-hydrogen_Atom_Count	5
45356963	Structure_Complexity	777
16051988	Hydrogen_Bond_Donor_Count	5
140996483	Undefined_Atom_Stereo_Count	1
76153	Non-hydrogen_Atom_Count	9
398569	Mono_Isotopic_Weight	315.14705815
79846	Hydrogen_Bond_Acceptor_Count	3
12231382	Defined_Bond_Stereo_Count	0
16832	Undefined_Bond_Stereo_Count	0
110640	Rotatable_Bond_Count	8
16682834	Covalent_Unit_Count	1
8648	Defined_Atom_Stereo_Count	0
2777165	XLogP3-AA	0.5
160932	Undefined_Atom_Stereo_Count	0
117822	Undefined_Atom_Stereo_Count	0
440053	Covalent_Unit_Count	1
49091	Structure_Complexity	203
1714204	Total_Formal_Charge	0
141343693	Mono_Isotopic_Weight	113.084063974
71451930	XLogP3-AA	4.3
89185	Mono_Isotopic_Weight	96.093900383
49858377	Total_Formal_Charge	0
521938	Defined_Bond_Stereo_Count	0
16116961	Defined_Bond_Stereo_Count	0
184820	Covalent_Unit_Count	1
15981450	Isotope_Atom_Count	0
58270017	XLogP3-AA	1.4
37366	Hydrogen_Bond_Donor_Count	1
5283305	Mono_Isotopic_Weight	240.245315640
107971	Exact_Mass	416.11073221
6327114	Molecular_Weight	109.04
9065	Molecular_Weight	187.66
24825250	Molecular_Weight	456.5
11574	Total_Formal_Charge	0
441443	Total_Formal_Charge	0
92028754	Mono_Isotopic_Weight	69.9665510
16126898	Non-hydrogen_Atom_Count	36
77213	Hydrogen_Bond_Donor_Count	3
159466	Hydrogen_Bond_Acceptor_Count	7
24208	Hydrogen_Bond_Acceptor_Count	3
57336523	Undefined_Bond_Stereo_Count	0
12943708	Isotope_Atom_Count	0
134694647	Exact_Mass	527.23843356
6373	XLogP3-AA	1.5
96821	Molecular_Weight	176.17
688267	Tautomer_Count	1
593	Isotope_Atom_Count	0
22499346	Isotope_Atom_Count	0
22058225	Mono_Isotopic_Weight	438.14607235
3082532	Non-hydrogen_Atom_Count	24
447480	Exact_Mass	336.15862589
561596	Exact_Mass	196.109944368
133066	Molecular_Weight	385.28
10478	Mono_Isotopic_Weight	152.90755
49757967	TPSA	37.9
12302654	Undefined_Bond_Stereo_Count	0
81309	Tautomer_Count	1
333	Undefined_Bond_Stereo_Count	0
78640	Total_Formal_Charge	0
14925	Molecular_Weight	176.12
25144717	Defined_Bond_Stereo_Count	1
3221	Non-hydrogen_Atom_Count	17
46783782	Non-hydrogen_Atom_Count	57
4359	Undefined_Atom_Stereo_Count	0
5324	Exact_Mass	214.05244675
129677105	Hydrogen_Bond_Acceptor_Count	2
118379	Defined_Atom_Stereo_Count	0
444718	Structure_Complexity	150
4075158	XLogP3	5.9
10130360	Hydrogen_Bond_Acceptor_Count	4
9820186	Covalent_Unit_Count	1
40973	Defined_Bond_Stereo_Count	0
15683	Covalent_Unit_Count	1
5388936	Hydrogen_Bond_Acceptor_Count	11
2017	Structure_Complexity	312
14286	TPSA	30
6918340	Tautomer_Count	1
17355	Molecular_Weight	148.20
7931	Hydrogen_Bond_Acceptor_Count	0
4032	Covalent_Unit_Count	1
123322483	Exact_Mass	100.063662883
5479052	Undefined_Atom_Stereo_Count	0
26235	XLogP3-AA	4.6
6509808	Exact_Mass	515.19124889
48838	Rotatable_Bond_Count	2
10103794	Isotope_Atom_Count	2
66016	Exact_Mass	178.146998583
92233	TPSA	53.3
91693	Isotope_Atom_Count	0
91506	Hydrogen_Bond_Donor_Count	11
86851	Non-hydrogen_Atom_Count	11
447342	Hydrogen_Bond_Donor_Count	3
1574	Mono_Isotopic_Weight	190.110613074
57401371	XLogP3-AA	4.3
5325574	Molecular_Weight	115.17
25799416	Structure_Complexity	189
51030896	Defined_Bond_Stereo_Count	0
23235	TPSA	26.3
154083	Non-hydrogen_Atom_Count	18
10391	Hydrogen_Bond_Acceptor_Count	1
10400	Undefined_Bond_Stereo_Count	0
14925	Structure_Complexity	192
126636957	TPSA	279
69733	Undefined_Bond_Stereo_Count	0
178096	Hydrogen_Bond_Acceptor_Count	2
47714	Exact_Mass	390.28824308
70207914	Hydrogen_Bond_Donor_Count	1
11959770	Structure_Complexity	151
3040	XLogP3	3.6
153986581	Undefined_Bond_Stereo_Count	0
135626366	Structure_Complexity	128
156580566	Undefined_Atom_Stereo_Count	0
17326	Undefined_Atom_Stereo_Count	0
235700	Isotope_Atom_Count	0
15273920	XLogP3-AA	1
21115778	TPSA	138
5228468	Non-hydrogen_Atom_Count	10
63786	Undefined_Atom_Stereo_Count	0
129095087	Non-hydrogen_Atom_Count	7
15216102	Covalent_Unit_Count	1
133688118	XLogP3-AA	2.5
80790	Exact_Mass	164.120115130
9570093	Undefined_Bond_Stereo_Count	0
130443213	Total_Formal_Charge	0
46936772	Total_Formal_Charge	0
25113190	Undefined_Bond_Stereo_Count	0
5311381	Hydrogen_Bond_Donor_Count	2
6599	Molecular_Weight	121.23
6388	TPSA	0
64972	Defined_Bond_Stereo_Count	0
979	Undefined_Atom_Stereo_Count	0
75846	Defined_Bond_Stereo_Count	0
135471308	Non-hydrogen_Atom_Count	13
118701518	Mono_Isotopic_Weight	654.24649740
140152869	Rotatable_Bond_Count	2
56993535	Hydrogen_Bond_Acceptor_Count	1
6367080	Exact_Mass	406.14366705
19784166	Undefined_Bond_Stereo_Count	0
23804	Isotope_Atom_Count	0
145640699	Undefined_Atom_Stereo_Count	2
69834	Tautomer_Count	1
117045887	Defined_Bond_Stereo_Count	0
34409	Mono_Isotopic_Weight	352.10592162
11513929	Defined_Bond_Stereo_Count	0
118327	Non-hydrogen_Atom_Count	24
440277	Defined_Bond_Stereo_Count	0
62332	Mono_Isotopic_Weight	242.094294304
416	Hydrogen_Bond_Donor_Count	4
58806244	TPSA	26
41442	Isotope_Atom_Count	0
11638363	TPSA	58.7
536643	Defined_Atom_Stereo_Count	0
6956	TPSA	86.2
65737	XLogP3-AA	1.8
89664	Defined_Bond_Stereo_Count	0
524655	Molecular_Weight	98.19
6379	Covalent_Unit_Count	2
6563	Rotatable_Bond_Count	1
22135	Defined_Bond_Stereo_Count	0
11254899	Defined_Atom_Stereo_Count	0
1549026	Undefined_Bond_Stereo_Count	0
68260574	Molecular_Weight	316.4
11020	Hydrogen_Bond_Acceptor_Count	3
46174097	Structure_Complexity	144
55288485	Total_Formal_Charge	0
34208	Defined_Bond_Stereo_Count	0
12425324	Total_Formal_Charge	0
6688	Undefined_Bond_Stereo_Count	0
224844	Hydrogen_Bond_Acceptor_Count	1
85296	Rotatable_Bond_Count	4
56928061	TPSA	272
11225102	Rotatable_Bond_Count	6
16129672	Undefined_Bond_Stereo_Count	0
119085356	Covalent_Unit_Count	1
3037886	Mono_Isotopic_Weight	231.162314293
758105	Hydrogen_Bond_Donor_Count	2
5057599	TPSA	230
101321425	Undefined_Atom_Stereo_Count	1
1708	Undefined_Atom_Stereo_Count	0
6918313	Rotatable_Bond_Count	7
13168503	Covalent_Unit_Count	1
11636182	Rotatable_Bond_Count	37
674572	Total_Formal_Charge	0
154184678	Undefined_Atom_Stereo_Count	2
148202	Non-hydrogen_Atom_Count	32
10112	Isotope_Atom_Count	0
5246420	Defined_Atom_Stereo_Count	0
5284369	Mono_Isotopic_Weight	253.110278721
572065	TPSA	20.2
688015	Total_Formal_Charge	0
701718	XLogP3-AA	3.3
65612	Tautomer_Count	1
1688	Rotatable_Bond_Count	1
71304	Hydrogen_Bond_Acceptor_Count	4
14075609	Undefined_Atom_Stereo_Count	2
117045887	Mono_Isotopic_Weight	95.073499291
5597	Mono_Isotopic_Weight	294.15795719
66825	Exact_Mass	188.02556330
712421	Undefined_Atom_Stereo_Count	0
2328	Mono_Isotopic_Weight	240.05686342
164767	Molecular_Weight	172.00
4873	Hydrogen_Bond_Donor_Count	0
28864	Defined_Atom_Stereo_Count	2
7831	Defined_Bond_Stereo_Count	0
5300	Hydrogen_Bond_Acceptor_Count	8
54043984	Defined_Atom_Stereo_Count	0
86965	Exact_Mass	165.078978594
133741	Undefined_Atom_Stereo_Count	0
51066536	Structure_Complexity	675
65981	Defined_Atom_Stereo_Count	1
21893797	TPSA	12
7694	Exact_Mass	149.120449483
164668700	Rotatable_Bond_Count	3
1181	Covalent_Unit_Count	1
74888	Mono_Isotopic_Weight	473.91501
6919467	Undefined_Atom_Stereo_Count	0
13520	TPSA	141
147686610	Hydrogen_Bond_Donor_Count	0
153986581	Hydrogen_Bond_Acceptor_Count	2
46943432	Exact_Mass	423.1462027
29982854	Non-hydrogen_Atom_Count	23
107984	Defined_Bond_Stereo_Count	0
5053	Isotope_Atom_Count	0
1478923	Exact_Mass	265.0076608
9938420	Undefined_Bond_Stereo_Count	0
52165	Structure_Complexity	523
23338788	Molecular_Weight	100.12
18699013	TPSA	29.5
29356	Total_Formal_Charge	0
148191	Rotatable_Bond_Count	11
22574	Exact_Mass	232.99940812
3033825	Mono_Isotopic_Weight	280.10725903
70297	Total_Formal_Charge	0
518900	Hydrogen_Bond_Acceptor_Count	3
65110	Defined_Atom_Stereo_Count	4
13180929	Defined_Bond_Stereo_Count	0
24866358	Hydrogen_Bond_Acceptor_Count	7
365661	Rotatable_Bond_Count	12
96604	Mono_Isotopic_Weight	296.13069707
2950	Defined_Atom_Stereo_Count	0
442912	Mono_Isotopic_Weight	326.199428076
58230406	XLogP3-AA	4.1
722	Defined_Bond_Stereo_Count	0
16760	Hydrogen_Bond_Acceptor_Count	4
16065257	Mono_Isotopic_Weight	428.15584919
65670951	Exact_Mass	112.052429494
2794	Undefined_Atom_Stereo_Count	0
6937	Undefined_Bond_Stereo_Count	0
10219396	TPSA	26
23689980	Defined_Bond_Stereo_Count	0
185495	Structure_Complexity	0
132276561	Hydrogen_Bond_Donor_Count	1
59009	Total_Formal_Charge	0
16048613	Undefined_Bond_Stereo_Count	0
3530398	Hydrogen_Bond_Donor_Count	0
4871	Exact_Mass	420.15728848
60196319	Structure_Complexity	198
54585643	TPSA	89
3271820	Isotope_Atom_Count	0
10853	Structure_Complexity	130
101905	Undefined_Bond_Stereo_Count	0
54891	Structure_Complexity	648
6337677	Defined_Atom_Stereo_Count	4
137701	Hydrogen_Bond_Donor_Count	1
3074827	Tautomer_Count	2
443868	Molecular_Weight	528.0
4838	Molecular_Weight	165.21
4339838	Hydrogen_Bond_Donor_Count	0
556035	Tautomer_Count	1
4916	Total_Formal_Charge	0
38306	Covalent_Unit_Count	1
142738	Isotope_Atom_Count	0
13848132	Structure_Complexity	40.7
130770920	Hydrogen_Bond_Acceptor_Count	2
3125	Molecular_Weight	195.21
133640194	Undefined_Atom_Stereo_Count	0
133832	Hydrogen_Bond_Donor_Count	0
4698	Exact_Mass	361.13477939
7819	Undefined_Atom_Stereo_Count	0
98055	Structure_Complexity	152
5324289	Molecular_Weight	311.4
1684	Molecular_Weight	381.3
91010248	Total_Formal_Charge	0
99474	Undefined_Bond_Stereo_Count	0
37542	Undefined_Bond_Stereo_Count	0
9849313	Structure_Complexity	673
134688015	Defined_Atom_Stereo_Count	0
55414	Covalent_Unit_Count	1
1017	Defined_Atom_Stereo_Count	0
32797	Mono_Isotopic_Weight	410.1660152
81325	Isotope_Atom_Count	0
67979	Defined_Atom_Stereo_Count	0
118053313	Undefined_Atom_Stereo_Count	2
57301906	Structure_Complexity	123
124085867	Hydrogen_Bond_Donor_Count	0
12472	Defined_Atom_Stereo_Count	0
230826	Undefined_Atom_Stereo_Count	0
73364	Isotope_Atom_Count	0
12590274	Mono_Isotopic_Weight	100.052429494
70281073	Exact_Mass	387.17289623
15606	Undefined_Bond_Stereo_Count	0
4075158	Molecular_Weight	227.36
59743205	Total_Formal_Charge	0
44207124	Covalent_Unit_Count	1
536111	Hydrogen_Bond_Donor_Count	0
543881	Hydrogen_Bond_Acceptor_Count	1
25660	Molecular_Weight	134.95
57406717	Defined_Atom_Stereo_Count	0
164075219	Undefined_Atom_Stereo_Count	2
11544171	Covalent_Unit_Count	1
3571519	Defined_Bond_Stereo_Count	0
10399	Undefined_Atom_Stereo_Count	0
630882	Defined_Atom_Stereo_Count	0
5324489	Molecular_Weight	100.16
7853	Tautomer_Count	1
138813	Tautomer_Count	1
164930	Hydrogen_Bond_Donor_Count	0
25429	Undefined_Bond_Stereo_Count	0
33733	Undefined_Atom_Stereo_Count	0
68321802	Structure_Complexity	686
57825229	Non-hydrogen_Atom_Count	26
3195	Molecular_Weight	294.4
105766824	Hydrogen_Bond_Acceptor_Count	1
520352	XLogP3	1.3
45116623	Total_Formal_Charge	0
85524	Mono_Isotopic_Weight	301.102036512
3035241	Mono_Isotopic_Weight	323.1400546
129675901	Undefined_Atom_Stereo_Count	0
70882	Tautomer_Count	3
13684986	Molecular_Weight	99.13
74405857	Undefined_Bond_Stereo_Count	0
11378469	Defined_Atom_Stereo_Count	0
6971007	Hydrogen_Bond_Acceptor_Count	6
6944	Mono_Isotopic_Weight	137.047678466
216293	Exact_Mass	811.2013520
7014	Undefined_Bond_Stereo_Count	0
5282241	Undefined_Bond_Stereo_Count	0
146157141	TPSA	23.5
144567671	Exact_Mass	108.093900383
83528703	Undefined_Atom_Stereo_Count	0
408511	Covalent_Unit_Count	1
21791020	Structure_Complexity	77.7
7020337	Mono_Isotopic_Weight	477.09994880
90290377	Undefined_Atom_Stereo_Count	1
77912	Structure_Complexity	261
4753	XLogP3	0.9
9870	Defined_Bond_Stereo_Count	0
44392105	XLogP3-AA	6.3
558206	Defined_Bond_Stereo_Count	0
154214	Hydrogen_Bond_Acceptor_Count	4
71437196	Exact_Mass	470.19162313
228864	Undefined_Atom_Stereo_Count	0
11538455	Defined_Atom_Stereo_Count	0
73889	Structure_Complexity	397
25200272	Molecular_Weight	1713.1
24756256	Isotope_Atom_Count	0
72921	Exact_Mass	123.068413911
67628	Hydrogen_Bond_Donor_Count	0
45788574	Isotope_Atom_Count	0
701651	Exact_Mass	272.09833431
69392	Undefined_Atom_Stereo_Count	0
135398635	Exact_Mass	283.09166853
11492381	Hydrogen_Bond_Donor_Count	0
8069	Covalent_Unit_Count	1
34338	Total_Formal_Charge	0
6918939	Exact_Mass	112.087472332
16678941	Defined_Atom_Stereo_Count	0
11355992	Non-hydrogen_Atom_Count	13
60759	Defined_Atom_Stereo_Count	0
114905	Defined_Bond_Stereo_Count	0
40473404	Total_Formal_Charge	0
15741634	Exact_Mass	101.120449483
140273	Undefined_Bond_Stereo_Count	0
403647	Hydrogen_Bond_Donor_Count	1
470	Total_Formal_Charge	0
10662	Defined_Atom_Stereo_Count	0
10966200	Undefined_Bond_Stereo_Count	0
71234	Mono_Isotopic_Weight	284.12732577
21492261	Undefined_Bond_Stereo_Count	0
76040	Rotatable_Bond_Count	0
129830140	Structure_Complexity	220
57773	Hydrogen_Bond_Acceptor_Count	3
610978	Exact_Mass	209.95411
67349	TPSA	0
5903	Isotope_Atom_Count	0
488	TPSA	201
137518	Defined_Bond_Stereo_Count	0
146110	Mono_Isotopic_Weight	442.18117893
143500	XLogP3-AA	0.7
12040512	TPSA	115
101582408	Rotatable_Bond_Count	10
23662264	TPSA	23.1
3033842	Undefined_Atom_Stereo_Count	1
5020	Molecular_Weight	283.32
45806	Mono_Isotopic_Weight	278.272199093
3680403	Undefined_Atom_Stereo_Count	0
6444186	Structure_Complexity	1890
522841	Hydrogen_Bond_Donor_Count	0
2742181	Isotope_Atom_Count	0
543112	Isotope_Atom_Count	0
54760134	Structure_Complexity	683
3349	Covalent_Unit_Count	1
135403802	Covalent_Unit_Count	1
6514	Hydrogen_Bond_Acceptor_Count	3
23599502	TPSA	60.6
6613	Mono_Isotopic_Weight	219.11067264
68780878	Mono_Isotopic_Weight	398.17427596
154240696	Defined_Atom_Stereo_Count	0
44338843	TPSA	151
8104	Non-hydrogen_Atom_Count	7
71362	Non-hydrogen_Atom_Count	96
15655	Molecular_Weight	86.09
142106	Exact_Mass	98.036779430
59149763	Defined_Bond_Stereo_Count	0
5280644	Undefined_Bond_Stereo_Count	0
2243	Defined_Bond_Stereo_Count	0
82650946	Non-hydrogen_Atom_Count	8
51763	Undefined_Bond_Stereo_Count	0
19919	Molecular_Weight	102.13
58880543	Undefined_Bond_Stereo_Count	0
556303	TPSA	0
839611	XLogP3-AA	2.9
60985	Defined_Atom_Stereo_Count	0
11671	Molecular_Weight	104.10
18004304	Rotatable_Bond_Count	4
102518	Rotatable_Bond_Count	0
10962	Structure_Complexity	13.1
74348	Non-hydrogen_Atom_Count	9
25945	Defined_Bond_Stereo_Count	0
56972713	Hydrogen_Bond_Acceptor_Count	2
17920260	Molecular_Weight	112.17
134079	Non-hydrogen_Atom_Count	26
119084740	Mono_Isotopic_Weight	114.02516937
73280	Undefined_Bond_Stereo_Count	0
131632024	Rotatable_Bond_Count	0
10877079	Hydrogen_Bond_Acceptor_Count	1
44455117	Molecular_Weight	377.4
54496446	Defined_Atom_Stereo_Count	0
1088	Undefined_Atom_Stereo_Count	0
54502555	Molecular_Weight	100.16
72573106	Structure_Complexity	40.7
9546757	Undefined_Bond_Stereo_Count	0
53631439	Molecular_Weight	113.11
821629	Mono_Isotopic_Weight	246.05753213
14823	Hydrogen_Bond_Acceptor_Count	2
86220885	Isotope_Atom_Count	0
557737	Undefined_Atom_Stereo_Count	1
69454537	Hydrogen_Bond_Donor_Count	1
88424	Hydrogen_Bond_Donor_Count	0
23615311	TPSA	141
13242839	Covalent_Unit_Count	1
44609163	XLogP3-AA	2.6
100933147	Mono_Isotopic_Weight	748.38813582
10180	Molecular_Weight	340.5
21397222	Isotope_Atom_Count	0
12506259	Exact_Mass	115.063328530
77611871	Non-hydrogen_Atom_Count	8
6483	Total_Formal_Charge	0
14968895	Defined_Atom_Stereo_Count	0
67936	Rotatable_Bond_Count	1
5283361	Total_Formal_Charge	0
80790	Hydrogen_Bond_Acceptor_Count	1
23363597	Non-hydrogen_Atom_Count	10
72913	Mono_Isotopic_Weight	118.053098200
80040	Mono_Isotopic_Weight	276.106787540
87171	Defined_Atom_Stereo_Count	0
58752	Mono_Isotopic_Weight	496.13000
102293	Defined_Atom_Stereo_Count	0
23649154	TPSA	56.5
9896434	Molecular_Weight	437.4
2771758	Defined_Bond_Stereo_Count	0
87357201	Covalent_Unit_Count	2
62802	Non-hydrogen_Atom_Count	16
60196380	Non-hydrogen_Atom_Count	16
451068	TPSA	57.7
65746	Hydrogen_Bond_Acceptor_Count	2
46783786	Total_Formal_Charge	0
197835	Undefined_Atom_Stereo_Count	0
73808497	TPSA	60.4
9949848	Mono_Isotopic_Weight	340.240230259
8344	Undefined_Atom_Stereo_Count	0
2526	Molecular_Weight	172.07
74859	Structure_Complexity	48
89229710	Isotope_Atom_Count	0
10220256	Hydrogen_Bond_Acceptor_Count	3
75987156	Hydrogen_Bond_Donor_Count	2
80695	Non-hydrogen_Atom_Count	31
63855	Undefined_Atom_Stereo_Count	0
70723	Isotope_Atom_Count	0
40539	Structure_Complexity	265
14583329	Defined_Bond_Stereo_Count	0
12193680	Structure_Complexity	965
546946	Tautomer_Count	2
18952630	Defined_Atom_Stereo_Count	0
68634	Non-hydrogen_Atom_Count	25
83946	Undefined_Bond_Stereo_Count	0
18314545	Exact_Mass	101.047678466
40466988	Undefined_Atom_Stereo_Count	0
124823	Non-hydrogen_Atom_Count	17
2200	Hydrogen_Bond_Acceptor_Count	2
44199317	Non-hydrogen_Atom_Count	29
85695	Isotope_Atom_Count	0
23688957	Structure_Complexity	46.8
15204529	Structure_Complexity	107
444294	Non-hydrogen_Atom_Count	11
129636415	Total_Formal_Charge	0
77470	Defined_Bond_Stereo_Count	0
135686255	Non-hydrogen_Atom_Count	17
12367598	TPSA	37.3
20250	Structure_Complexity	172
133662561	Undefined_Bond_Stereo_Count	0
14988402	Molecular_Weight	99.17
97375	Undefined_Atom_Stereo_Count	0
7622	TPSA	3.2
22125	Structure_Complexity	395
44455701	Hydrogen_Bond_Acceptor_Count	9
90429111	TPSA	58.6
9909846	Molecular_Weight	416.6
10239891	Isotope_Atom_Count	0
2783279	Hydrogen_Bond_Acceptor_Count	5
270563	Mono_Isotopic_Weight	219.98876
164695	Non-hydrogen_Atom_Count	20
54587759	Molecular_Weight	337.3
71449857	Molecular_Weight	477.4
9983292	Undefined_Bond_Stereo_Count	0
158389	Undefined_Bond_Stereo_Count	0
6321405	Hydrogen_Bond_Acceptor_Count	1
59383280	Undefined_Bond_Stereo_Count	0
890070	Defined_Bond_Stereo_Count	1
3907	Exact_Mass	625.30330126
16217526	Tautomer_Count	1001
4438527	Isotope_Atom_Count	0
5748152	Structure_Complexity	457
4487902	Rotatable_Bond_Count	8
84265	Structure_Complexity	235
4554	TPSA	0
85056	Defined_Bond_Stereo_Count	0
11321106	Non-hydrogen_Atom_Count	10
1647	Isotope_Atom_Count	0
5899068	Non-hydrogen_Atom_Count	20
16133899	Defined_Atom_Stereo_Count	0
595	Structure_Complexity	192
5311333	Non-hydrogen_Atom_Count	79
163285375	Hydrogen_Bond_Acceptor_Count	13
54758308	Mono_Isotopic_Weight	471.26342531
16050553	TPSA	67.9
6144	Rotatable_Bond_Count	7
46830291	TPSA	75.1
118585331	Rotatable_Bond_Count	1
798232	Molecular_Weight	340.8
87931119	Hydrogen_Bond_Donor_Count	5
68539	TPSA	6.5
49865963	Mono_Isotopic_Weight	761.26183037
9870843	Defined_Bond_Stereo_Count	2
7309	Non-hydrogen_Atom_Count	13
70715	Mono_Isotopic_Weight	96.043596145
66379	Isotope_Atom_Count	0
13396323	Covalent_Unit_Count	1
71967	TPSA	28.7
11576068	Undefined_Atom_Stereo_Count	0
519418	Hydrogen_Bond_Acceptor_Count	1
73246	Isotope_Atom_Count	0
137071	Tautomer_Count	2
36023	Defined_Atom_Stereo_Count	0
91418	XLogP3-AA	0.1
110789	XLogP3-AA	2.1
71240	Rotatable_Bond_Count	4
60574	Structure_Complexity	326
138231	Total_Formal_Charge	0
79043	Undefined_Atom_Stereo_Count	3
5281437	Total_Formal_Charge	0
7090	Hydrogen_Bond_Donor_Count	1
6324663	Molecular_Weight	912.0
123659755	Defined_Bond_Stereo_Count	0
312128	Non-hydrogen_Atom_Count	8
87716431	Undefined_Atom_Stereo_Count	0
9840971	Exact_Mass	342.12157168
12313	Defined_Atom_Stereo_Count	0
18779169	Molecular_Weight	112.13
25091037	Mono_Isotopic_Weight	1698.72556297
7859	Structure_Complexity	38.5
54006055	Undefined_Atom_Stereo_Count	0
925642	Non-hydrogen_Atom_Count	17
5153297	Molecular_Weight	130.13
446286	Exact_Mass	425.14092740
15827531	Undefined_Atom_Stereo_Count	0
40468	Rotatable_Bond_Count	1
11625425	Isotope_Atom_Count	0
72959169	Hydrogen_Bond_Donor_Count	1
137699570	Covalent_Unit_Count	1
156839069	Isotope_Atom_Count	0
61209	TPSA	34.1
20097868	Rotatable_Bond_Count	2
131059	Isotope_Atom_Count	0
12590456	Hydrogen_Bond_Donor_Count	1
12630477	Isotope_Atom_Count	0
15560527	Hydrogen_Bond_Acceptor_Count	4
72679314	TPSA	94.9
52161	Tautomer_Count	1
14809959	Isotope_Atom_Count	0
12110098	Exact_Mass	405.80265
11566378	Total_Formal_Charge	0
3682	Isotope_Atom_Count	0
14072448	Total_Formal_Charge	0
66615678	Total_Formal_Charge	0
72871	Non-hydrogen_Atom_Count	13
550642	Mono_Isotopic_Weight	112.088815002
446	Hydrogen_Bond_Donor_Count	2
10449	Exact_Mass	89.027691913
709225	Exact_Mass	320.10956770
905454	Rotatable_Bond_Count	4
118388018	Mono_Isotopic_Weight	114.01777532
156614100	Rotatable_Bond_Count	9
23643935	Total_Formal_Charge	0
11567473	Structure_Complexity	806
92829	Defined_Atom_Stereo_Count	1
9418	Mono_Isotopic_Weight	331.1451400
23064530	Undefined_Atom_Stereo_Count	0
51669	Non-hydrogen_Atom_Count	23
58559	Undefined_Bond_Stereo_Count	0
98694	Molecular_Weight	241.24
9568628	TPSA	52.8
2797676	Molecular_Weight	308.3
4659387	Defined_Atom_Stereo_Count	0
9963148	Rotatable_Bond_Count	26
11657	Mono_Isotopic_Weight	56.062600255
12910381	Isotope_Atom_Count	0
3073763	Non-hydrogen_Atom_Count	14
82711397	Exact_Mass	118.062994177
37545	Undefined_Atom_Stereo_Count	0
158627	Structure_Complexity	233
71165	Mono_Isotopic_Weight	288.14739250
13810	Non-hydrogen_Atom_Count	38
135771852	Defined_Atom_Stereo_Count	4
520277	Covalent_Unit_Count	1
83075	Undefined_Bond_Stereo_Count	0
74825	Hydrogen_Bond_Acceptor_Count	2
11598	Defined_Atom_Stereo_Count	0
5284363	Isotope_Atom_Count	0
57392964	Defined_Bond_Stereo_Count	0
168354	Exact_Mass	134.094294304
60056	Hydrogen_Bond_Acceptor_Count	10
13333	TPSA	35.9
23349	XLogP3-AA	0.3
19935256	Isotope_Atom_Count	0
96389	Exact_Mass	145.052763847
25101755	Defined_Atom_Stereo_Count	0
131700489	Molecular_Weight	308.2
81876	Undefined_Atom_Stereo_Count	0
503327	Defined_Bond_Stereo_Count	0
198061	Molecular_Weight	376.5
74530	XLogP3	2.8
22320	Isotope_Atom_Count	0
21954776	TPSA	55.4
22203	Defined_Bond_Stereo_Count	0
4282864	Non-hydrogen_Atom_Count	58
4499	Undefined_Atom_Stereo_Count	1
175967	TPSA	140
3272300	Undefined_Atom_Stereo_Count	0
72941505	Tautomer_Count	1
24883429	Isotope_Atom_Count	0
4369413	Hydrogen_Bond_Donor_Count	1
10189783	Undefined_Bond_Stereo_Count	0
18690759	Undefined_Atom_Stereo_Count	1
692189	Structure_Complexity	390
470126	Covalent_Unit_Count	1
146158693	Undefined_Atom_Stereo_Count	4
135472946	Rotatable_Bond_Count	7
56972759	TPSA	3
53910819	Hydrogen_Bond_Donor_Count	0
123554527	XLogP3-AA	1
24752885	Molecular_Weight	270.36
13879722	Undefined_Atom_Stereo_Count	1
132935795	Rotatable_Bond_Count	0
121304016	TPSA	204
71693	Structure_Complexity	303
6713368	Hydrogen_Bond_Acceptor_Count	1
6440557	Total_Formal_Charge	0
143723227	Covalent_Unit_Count	1
137699188	Molecular_Weight	1526.8
5468	Exact_Mass	260.05071541
54725318	TPSA	113
61253	TPSA	87
5301	XLogP3-AA	0.5
410099	Defined_Atom_Stereo_Count	0
12196071	Undefined_Bond_Stereo_Count	0
687046	TPSA	63.3
40146	Molecular_Weight	240.30
89318	Isotope_Atom_Count	0
11553983	Mono_Isotopic_Weight	440.22122615
76619	Undefined_Bond_Stereo_Count	0
13058233	XLogP3-AA	2.4
6443968	Tautomer_Count	3
104815	Hydrogen_Bond_Donor_Count	0
134826475	Structure_Complexity	809
3271	TPSA	49.7
6437379	Rotatable_Bond_Count	6
12219387	Rotatable_Bond_Count	1
954	Defined_Atom_Stereo_Count	0
39609	Non-hydrogen_Atom_Count	28
33099	Defined_Atom_Stereo_Count	0
5477380	XLogP3	5.9
17142	Exact_Mass	297.09608521
688311	Undefined_Bond_Stereo_Count	1
47024	Non-hydrogen_Atom_Count	19
69504120	Defined_Atom_Stereo_Count	0
668	Undefined_Atom_Stereo_Count	0
135771852	Hydrogen_Bond_Acceptor_Count	9
107720	Undefined_Bond_Stereo_Count	0
25102936	Non-hydrogen_Atom_Count	30
123265201	Defined_Bond_Stereo_Count	0
596	TPSA	129
101301	Structure_Complexity	503
45408	Defined_Bond_Stereo_Count	0
445858	Rotatable_Bond_Count	3
67520	Total_Formal_Charge	0
12561666	Undefined_Bond_Stereo_Count	0
19127	Structure_Complexity	250
11434448	Defined_Atom_Stereo_Count	0
55263	Non-hydrogen_Atom_Count	16
56960363	TPSA	123
292184	Molecular_Weight	164.01
30251	Molecular_Weight	284.2
91760	Covalent_Unit_Count	1
61633	Total_Formal_Charge	0
81421	Structure_Complexity	318
54443170	Mono_Isotopic_Weight	98.073164938
118916	TPSA	127
10960	Defined_Bond_Stereo_Count	0
24916845	Hydrogen_Bond_Donor_Count	4
94011387	Hydrogen_Bond_Donor_Count	8
18758985	Molecular_Weight	99.09
21162824	Mono_Isotopic_Weight	116.083729621
70688017	Defined_Atom_Stereo_Count	0
970	Defined_Bond_Stereo_Count	0
54111	Undefined_Bond_Stereo_Count	0
11761	Molecular_Weight	182.13
12132	Covalent_Unit_Count	1
444913	Undefined_Atom_Stereo_Count	0
263077	Rotatable_Bond_Count	2
164094748	Hydrogen_Bond_Donor_Count	0
3676	TPSA	32.3
135566069	Molecular_Weight	1569.7
704233	Isotope_Atom_Count	0
136664419	Mono_Isotopic_Weight	528.21078060
12315190	Hydrogen_Bond_Acceptor_Count	7
68304261	Isotope_Atom_Count	0
116842112	Isotope_Atom_Count	0
80009	Hydrogen_Bond_Donor_Count	1
3400	Hydrogen_Bond_Donor_Count	0
19077486	Rotatable_Bond_Count	8
454	Tautomer_Count	2
139595130	Hydrogen_Bond_Donor_Count	11
85906	Mono_Isotopic_Weight	178.110613074
6549	Molecular_Weight	154.25
3109	Hydrogen_Bond_Acceptor_Count	4
146102	Structure_Complexity	364
98613	Hydrogen_Bond_Acceptor_Count	4
126977538	Defined_Atom_Stereo_Count	0
647120	Molecular_Weight	403.8
15681692	Non-hydrogen_Atom_Count	7
14723648	Defined_Bond_Stereo_Count	0
11159486	Covalent_Unit_Count	1
834562	Isotope_Atom_Count	0
101874073	Mono_Isotopic_Weight	324.183778013
22068766	Covalent_Unit_Count	1
3980	Covalent_Unit_Count	1
2142	TPSA	332
96237	Hydrogen_Bond_Donor_Count	2
431097	Isotope_Atom_Count	0
49862517	Rotatable_Bond_Count	6
18068	Defined_Bond_Stereo_Count	0
18743	Undefined_Atom_Stereo_Count	0
70692177	Undefined_Atom_Stereo_Count	0
85904461	Isotope_Atom_Count	0
40146	Non-hydrogen_Atom_Count	18
175989	Molecular_Weight	650.7
25355	XLogP3	2.2
71	Non-hydrogen_Atom_Count	11
18342355	Non-hydrogen_Atom_Count	8
12536	Undefined_Atom_Stereo_Count	4
93083	Defined_Bond_Stereo_Count	0
6918248	Undefined_Atom_Stereo_Count	0
5326566	Total_Formal_Charge	0
53317123	Total_Formal_Charge	0
11149862	Defined_Atom_Stereo_Count	0
34481	Exact_Mass	292.08479225
11631565	XLogP3-AA	5.4
5460364	Hydrogen_Bond_Donor_Count	0
25091037	Defined_Bond_Stereo_Count	0
7911	Covalent_Unit_Count	1
170813	XLogP3	4.1
9507	Rotatable_Bond_Count	2
61205	Molecular_Weight	212.19
10112	Covalent_Unit_Count	2
97995	Non-hydrogen_Atom_Count	10
10197959	Exact_Mass	183.05315777
449196	Defined_Atom_Stereo_Count	7
398592	Exact_Mass	271.18959167
136515	Non-hydrogen_Atom_Count	8
19166	Covalent_Unit_Count	1
1501	Molecular_Weight	528.6
102360081	Covalent_Unit_Count	1
7225	Isotope_Atom_Count	0
76225552	Hydrogen_Bond_Acceptor_Count	2
73921	Undefined_Atom_Stereo_Count	0
9547713	Molecular_Weight	114.15
435459	Tautomer_Count	1
124769751	TPSA	57.2
55286731	Total_Formal_Charge	0
9601896	Defined_Atom_Stereo_Count	0
919792	Isotope_Atom_Count	0
1382043	XLogP3-AA	0.3
19883274	Defined_Atom_Stereo_Count	0
23567201	Covalent_Unit_Count	1
11974214	Non-hydrogen_Atom_Count	34
5904	Molecular_Weight	334.4
3085401	Molecular_Weight	246.34
101033892	Undefined_Atom_Stereo_Count	0
22833389	Non-hydrogen_Atom_Count	30
131746	Molecular_Weight	248.15
8989	Rotatable_Bond_Count	12
15027981	Rotatable_Bond_Count	0
56927879	Non-hydrogen_Atom_Count	104
135443389	Structure_Complexity	142
10866300	Structure_Complexity	101
53876717	Isotope_Atom_Count	0
107676	Undefined_Atom_Stereo_Count	0
9086	Structure_Complexity	16.4
53241828	XLogP3-AA	1.7
750205	Undefined_Atom_Stereo_Count	0
62418	Hydrogen_Bond_Acceptor_Count	3
11083045	Molecular_Weight	701.7
3139	Rotatable_Bond_Count	3
5410	TPSA	43.4
12966	Exact_Mass	202.12050905
1118	Rotatable_Bond_Count	0
56340	Non-hydrogen_Atom_Count	20
57286269	Mono_Isotopic_Weight	83.073499291
40652	TPSA	65.1
132274080	Undefined_Atom_Stereo_Count	10
91256663	Exact_Mass	108.057514874
71526	Exact_Mass	307.17317627
2763024	Isotope_Atom_Count	0
12251749	Undefined_Bond_Stereo_Count	0
81958	Molecular_Weight	102.09
9841834	XLogP3-AA	1.5
31070	Exact_Mass	303.10580174
91696	Undefined_Bond_Stereo_Count	0
44786	Isotope_Atom_Count	0
135398646	Isotope_Atom_Count	0
5281168	Defined_Atom_Stereo_Count	0
295283	Hydrogen_Bond_Donor_Count	2
2442	Non-hydrogen_Atom_Count	18
6371710	XLogP3-AA	1.7
19960955	Covalent_Unit_Count	1
11652923	Undefined_Atom_Stereo_Count	0
15272297	Molecular_Weight	112.13
25079036	TPSA	512
62871	Undefined_Atom_Stereo_Count	0
8635	Hydrogen_Bond_Donor_Count	1
68201955	Total_Formal_Charge	0
76258	Undefined_Atom_Stereo_Count	0
20836217	Isotope_Atom_Count	0
393601	Structure_Complexity	778
54608508	Non-hydrogen_Atom_Count	73
29696	Hydrogen_Bond_Acceptor_Count	3
15940170	TPSA	99.4
23663973	Defined_Bond_Stereo_Count	0
11544170	Defined_Atom_Stereo_Count	0
165495	Undefined_Bond_Stereo_Count	0
3000346	TPSA	99.1
139292184	Defined_Bond_Stereo_Count	0
10075424	Mono_Isotopic_Weight	522.13378872
18186100	Non-hydrogen_Atom_Count	6
6319	Exact_Mass	260.131348519
442076	Undefined_Bond_Stereo_Count	0
19966769	Isotope_Atom_Count	0
101649230	Undefined_Bond_Stereo_Count	0
54608508	Total_Formal_Charge	0
84337	Isotope_Atom_Count	0
10230	Rotatable_Bond_Count	2
54203587	Total_Formal_Charge	0
470202	XLogP3	2.8
11316914	Defined_Atom_Stereo_Count	0
9865961	Rotatable_Bond_Count	7
22607	Total_Formal_Charge	0
3683036	Undefined_Bond_Stereo_Count	0
20058	Rotatable_Bond_Count	8
62725	Undefined_Atom_Stereo_Count	0
64927	Total_Formal_Charge	0
21930924	Non-hydrogen_Atom_Count	23
61136	Undefined_Bond_Stereo_Count	0
653419	Hydrogen_Bond_Donor_Count	1
11000531	Mono_Isotopic_Weight	283.08445790
171970	Tautomer_Count	2
70106	Non-hydrogen_Atom_Count	7
59059041	Defined_Bond_Stereo_Count	0
10898638	Exact_Mass	84.057514874
9797059	Defined_Bond_Stereo_Count	0
620625	Mono_Isotopic_Weight	94.041864811
3346	XLogP3	4.1
21227	Non-hydrogen_Atom_Count	8
96805	Hydrogen_Bond_Donor_Count	4
97842	XLogP3-AA	2.2
54337282	Rotatable_Bond_Count	1
1000	Mono_Isotopic_Weight	137.084063974
14546681	Defined_Atom_Stereo_Count	0
15229227	Mono_Isotopic_Weight	231.0450916
60196390	Total_Formal_Charge	0
103687	Undefined_Atom_Stereo_Count	1
71450703	XLogP3-AA	2.7
20387237	Total_Formal_Charge	0
6243	Mono_Isotopic_Weight	425.975765
16769	Total_Formal_Charge	0
93074	Molecular_Weight	101.15
13612132	Non-hydrogen_Atom_Count	8
46869955	Isotope_Atom_Count	0
11051611	Exact_Mass	113.084063974
21189113	Rotatable_Bond_Count	4
587311	TPSA	60.4
112265	Defined_Bond_Stereo_Count	0
137017	Isotope_Atom_Count	0
46936560	Covalent_Unit_Count	1
30097	Molecular_Weight	562.6
10127622	TPSA	88.4
6710780	Undefined_Bond_Stereo_Count	0
140328	Isotope_Atom_Count	0
154106457	Hydrogen_Bond_Donor_Count	1
21188433	Undefined_Atom_Stereo_Count	0
141997006	Molecular_Weight	112.13
61059	Covalent_Unit_Count	1
137138801	Total_Formal_Charge	0
323004	Undefined_Bond_Stereo_Count	0
27854	Total_Formal_Charge	2
67112	Non-hydrogen_Atom_Count	15
146157761	Defined_Atom_Stereo_Count	3
14178853	Hydrogen_Bond_Donor_Count	0
9363	Non-hydrogen_Atom_Count	16
6438149	Mono_Isotopic_Weight	368.21988874
66588767	Defined_Atom_Stereo_Count	0
9568069	XLogP3	1
4611060	Covalent_Unit_Count	1
57406717	Non-hydrogen_Atom_Count	33
105746	Structure_Complexity	148
10044	Covalent_Unit_Count	1
69990	Hydrogen_Bond_Acceptor_Count	1
87548140	Undefined_Atom_Stereo_Count	0
5362115	Covalent_Unit_Count	2
444590	Rotatable_Bond_Count	18
83669186	Non-hydrogen_Atom_Count	8
19354187	Structure_Complexity	91.9
17882607	Isotope_Atom_Count	0
13400858	Defined_Atom_Stereo_Count	0
5481173	Non-hydrogen_Atom_Count	37
22851718	Hydrogen_Bond_Donor_Count	1
77456	Hydrogen_Bond_Donor_Count	0
10582477	Mono_Isotopic_Weight	223.063328530
142967978	Defined_Bond_Stereo_Count	0
638105	XLogP3-AA	0.1
97120	Molecular_Weight	255.40
15886	TPSA	125
6558	Hydrogen_Bond_Acceptor_Count	1
2813282	Hydrogen_Bond_Donor_Count	1
25184541	Defined_Bond_Stereo_Count	0
54587759	Covalent_Unit_Count	1
65388	TPSA	68.4
76883	Total_Formal_Charge	0
3008895	Hydrogen_Bond_Acceptor_Count	20
34481	Non-hydrogen_Atom_Count	22
61508	Isotope_Atom_Count	0
19360868	Undefined_Atom_Stereo_Count	1
22648408	Undefined_Atom_Stereo_Count	2
11967214	Exact_Mass	801.34907
17891	Defined_Atom_Stereo_Count	0
9867605	Hydrogen_Bond_Donor_Count	2
126456023	Exact_Mass	419.34787550
6429113	TPSA	30.2
135589116	Undefined_Atom_Stereo_Count	0
136266076	Covalent_Unit_Count	1
135531169	XLogP3-AA	2.7
152199271	Hydrogen_Bond_Donor_Count	0
9548810	TPSA	60.4
13794997	Defined_Atom_Stereo_Count	0
135854412	Undefined_Bond_Stereo_Count	0
22037858	TPSA	50.7
16584	Non-hydrogen_Atom_Count	11
95508	Defined_Bond_Stereo_Count	0
219078	TPSA	67.4
859174	Total_Formal_Charge	0
23167	Defined_Bond_Stereo_Count	0
3553	Isotope_Atom_Count	0
58460742	Covalent_Unit_Count	1
20059462	Rotatable_Bond_Count	8
20253	Isotope_Atom_Count	0
23681909	Mono_Isotopic_Weight	886.0546507
98675	Hydrogen_Bond_Donor_Count	0
61583	XLogP3-AA	2.5
134688694	Rotatable_Bond_Count	12
12228	Isotope_Atom_Count	0
9964101	TPSA	80.4
13661	Total_Formal_Charge	0
15273943	Structure_Complexity	82.6
71321	Defined_Bond_Stereo_Count	0
10866290	Exact_Mass	111.104799419
50299	Tautomer_Count	2
40473194	Defined_Bond_Stereo_Count	0
70280758	Non-hydrogen_Atom_Count	31
23262319	Isotope_Atom_Count	0
19940	Total_Formal_Charge	0
5893	Non-hydrogen_Atom_Count	44
73759969	Molecular_Weight	980.2
23673837	Undefined_Bond_Stereo_Count	0
6918077	Non-hydrogen_Atom_Count	22
6189	Defined_Bond_Stereo_Count	0
23723057	Hydrogen_Bond_Acceptor_Count	5
174174	Undefined_Bond_Stereo_Count	0
6918332	Hydrogen_Bond_Donor_Count	5
9868219	Undefined_Atom_Stereo_Count	0
225161	Undefined_Atom_Stereo_Count	0
30437	Hydrogen_Bond_Acceptor_Count	4
675085	Undefined_Bond_Stereo_Count	0
5702609	Non-hydrogen_Atom_Count	19
6971047	Defined_Bond_Stereo_Count	0
23576	Total_Formal_Charge	1
11955614	Exact_Mass	403.16443955
3033983	Isotope_Atom_Count	0
69340938	Exact_Mass	112.063662883
237766	Isotope_Atom_Count	0
47198	Tautomer_Count	3
23666409	TPSA	204
13424663	Hydrogen_Bond_Acceptor_Count	8
12053	Rotatable_Bond_Count	1
616651	Isotope_Atom_Count	0
40467016	Hydrogen_Bond_Donor_Count	1
125889	Hydrogen_Bond_Donor_Count	2
62656	Hydrogen_Bond_Acceptor_Count	1
441404	Rotatable_Bond_Count	5
20015	Covalent_Unit_Count	1
88867195	Structure_Complexity	64.8
9923162	Total_Formal_Charge	0
53211	Hydrogen_Bond_Donor_Count	6
21026	Undefined_Bond_Stereo_Count	0
57403176	Non-hydrogen_Atom_Count	28
403648	Molecular_Weight	384.7
21030991	TPSA	56
44447915	Undefined_Atom_Stereo_Count	0
49862627	Structure_Complexity	541
219023	Structure_Complexity	828
22564561	Structure_Complexity	113
8593	Undefined_Atom_Stereo_Count	0
85942939	Molecular_Weight	105.14
17036	Mono_Isotopic_Weight	327.18344366
45073462	Mono_Isotopic_Weight	448.1109187
55119	Hydrogen_Bond_Acceptor_Count	1
106831	Hydrogen_Bond_Acceptor_Count	1
12534286	Hydrogen_Bond_Donor_Count	1
15809	Isotope_Atom_Count	0
5169496	Mono_Isotopic_Weight	158.00760456
3219590	XLogP3-AA	2.9
68321924	Non-hydrogen_Atom_Count	26
68602320	Structure_Complexity	141
6917831	Defined_Atom_Stereo_Count	2
12452021	Total_Formal_Charge	0
81618	Rotatable_Bond_Count	2
46836890	Exact_Mass	237.1172382
9904	Molecular_Weight	274.4
5481119	Undefined_Atom_Stereo_Count	0
39681	Non-hydrogen_Atom_Count	18
573117	Tautomer_Count	1
71752231	Hydrogen_Bond_Donor_Count	4
35492	Total_Formal_Charge	0
5752	Covalent_Unit_Count	1
62705686	Rotatable_Bond_Count	6
94418	Tautomer_Count	16
11842633	Defined_Atom_Stereo_Count	3
161815	Undefined_Atom_Stereo_Count	0
117010139	TPSA	15
14643175	Total_Formal_Charge	0
122173799	Exact_Mass	1095.46702979
48068	Non-hydrogen_Atom_Count	38
66840	Hydrogen_Bond_Acceptor_Count	3
5280649	Mono_Isotopic_Weight	144.102453689
15664	Hydrogen_Bond_Donor_Count	0
133915	XLogP3-AA	0.5
18352108	Hydrogen_Bond_Acceptor_Count	2
95309	Total_Formal_Charge	0
686	Mono_Isotopic_Weight	548.08084212
11815832	Hydrogen_Bond_Acceptor_Count	0
70092	Structure_Complexity	51
448799	XLogP3-AA	4
139488	Tautomer_Count	2
12556265	Exact_Mass	100.052429494
80690	Tautomer_Count	16
42291	Defined_Atom_Stereo_Count	0
57992030	Covalent_Unit_Count	1
12431744	Mono_Isotopic_Weight	92.026214747
3659	Undefined_Atom_Stereo_Count	16
28506	Non-hydrogen_Atom_Count	16
58265621	Non-hydrogen_Atom_Count	7
23706212	Total_Formal_Charge	0
26346	Hydrogen_Bond_Donor_Count	2
3022	Non-hydrogen_Atom_Count	19
11077077	Undefined_Bond_Stereo_Count	0
54587655	Rotatable_Bond_Count	4
57417230	Non-hydrogen_Atom_Count	85
7048523	Defined_Bond_Stereo_Count	0
84653	Mono_Isotopic_Weight	199.99388650
8060	Non-hydrogen_Atom_Count	6
60201265	Defined_Atom_Stereo_Count	2
44324651	XLogP3-AA	3.7
41381	Exact_Mass	333.09364042
91322204	Mono_Isotopic_Weight	112.088815002
17178037	XLogP3-AA	0.1
18569	Mono_Isotopic_Weight	84.057514874
44455014	Rotatable_Bond_Count	6
126843213	Hydrogen_Bond_Acceptor_Count	91
139086956	Defined_Bond_Stereo_Count	0
13	Isotope_Atom_Count	0
16050553	Non-hydrogen_Atom_Count	28
90202	Tautomer_Count	1
44393	Tautomer_Count	1
969472	Mono_Isotopic_Weight	388.1050661
3853312	Undefined_Atom_Stereo_Count	0
15619838	Hydrogen_Bond_Acceptor_Count	2
11908385	Structure_Complexity	382
6326947	Structure_Complexity	532
27197	Molecular_Weight	247.31
10887840	Defined_Bond_Stereo_Count	0
57077346	Isotope_Atom_Count	0
7827	Structure_Complexity	109
16272	Isotope_Atom_Count	0
57874	Tautomer_Count	2
11954236	Isotope_Atom_Count	0
88266	Hydrogen_Bond_Donor_Count	1
21414	Hydrogen_Bond_Acceptor_Count	1
90730816	Rotatable_Bond_Count	2
83823	Isotope_Atom_Count	0
3082654	Total_Formal_Charge	0
168963	Molecular_Weight	375.75
30924	Exact_Mass	163.099714038
14217092	Tautomer_Count	216
12299	Defined_Atom_Stereo_Count	0
9828911	Total_Formal_Charge	0
83860	Undefined_Atom_Stereo_Count	6
23983765	Rotatable_Bond_Count	4
44214615	Mono_Isotopic_Weight	229.0173527
56842207	Defined_Atom_Stereo_Count	0
5311309	TPSA	66.4
91262741	Rotatable_Bond_Count	0
17593	Structure_Complexity	92.9
32359	Rotatable_Bond_Count	3
37059	Isotope_Atom_Count	0
96421	Undefined_Bond_Stereo_Count	1
14798	Defined_Atom_Stereo_Count	0
129628370	Exact_Mass	143.00409958
449381	Tautomer_Count	2
139243814	Hydrogen_Bond_Acceptor_Count	0
160310226	XLogP3	2.9
5421897	Rotatable_Bond_Count	3
524646	Defined_Bond_Stereo_Count	0
25954	Total_Formal_Charge	0
59907918	Exact_Mass	342.11621151
1548887	Total_Formal_Charge	0
54099775	TPSA	46.3
13199930	Non-hydrogen_Atom_Count	12
71583051	Defined_Bond_Stereo_Count	0
9097	XLogP3-AA	5.8
104287	Non-hydrogen_Atom_Count	30
11285653	Tautomer_Count	1
24774912	Defined_Bond_Stereo_Count	0
4168	Defined_Bond_Stereo_Count	0
9574768	Total_Formal_Charge	0
18759	Tautomer_Count	1
66099	TPSA	40.5
74879	Structure_Complexity	224
14417	Defined_Atom_Stereo_Count	0
11126361	Defined_Atom_Stereo_Count	2
53465849	Structure_Complexity	546
71346	Undefined_Bond_Stereo_Count	0
136120826	Defined_Bond_Stereo_Count	0
30981	TPSA	54
80934	Undefined_Atom_Stereo_Count	0
71308755	Defined_Bond_Stereo_Count	5
2135	Mono_Isotopic_Weight	202.098037015
53642689	Total_Formal_Charge	0
22529	Covalent_Unit_Count	3
51340308	Hydrogen_Bond_Donor_Count	1
20112175	Molecular_Weight	92.09
101175466	Total_Formal_Charge	2
12774755	Hydrogen_Bond_Donor_Count	1
9081	Undefined_Atom_Stereo_Count	2
68321840	TPSA	77.2
14982	Covalent_Unit_Count	1
20216719	Undefined_Bond_Stereo_Count	0
118701518	Undefined_Bond_Stereo_Count	0
23056	Non-hydrogen_Atom_Count	25
23760141	Undefined_Atom_Stereo_Count	1
551491	Non-hydrogen_Atom_Count	7
56974851	TPSA	38.3
1533	XLogP3	0.6
4366894	Covalent_Unit_Count	1
5367415	Mono_Isotopic_Weight	80.062600255
5475158	Defined_Atom_Stereo_Count	0
96350	Tautomer_Count	1
70700401	Rotatable_Bond_Count	3
21493122	Mono_Isotopic_Weight	96.068748264
114904	Rotatable_Bond_Count	7
11954	Defined_Bond_Stereo_Count	0
5364448	Isotope_Atom_Count	0
11539562	TPSA	93.7
135546482	Isotope_Atom_Count	0
166548151	TPSA	23.8
98681	Hydrogen_Bond_Donor_Count	2
723	Structure_Complexity	119
67248938	Defined_Bond_Stereo_Count	0
430795	Molecular_Weight	202.34
9804992	Tautomer_Count	10
60942	Undefined_Atom_Stereo_Count	6
12730529	Hydrogen_Bond_Donor_Count	1
5288494	TPSA	37.3
115089	Total_Formal_Charge	0
5765	Molecular_Weight	191.01
5281035	Mono_Isotopic_Weight	382.228322906
6604183	Mono_Isotopic_Weight	255.922579
155560570	Undefined_Atom_Stereo_Count	3
61040	Exact_Mass	182.130679813
146157955	Mono_Isotopic_Weight	867.49802062
35729	Undefined_Atom_Stereo_Count	0
11358	Molecular_Weight	187.03
14767815	Molecular_Weight	116.16
10403	Structure_Complexity	86.7
5766	Undefined_Atom_Stereo_Count	0
708	TPSA	113
22988955	Hydrogen_Bond_Donor_Count	0
44339046	Hydrogen_Bond_Donor_Count	2
884462	Total_Formal_Charge	0
13200	TPSA	20.2
14200857	Undefined_Bond_Stereo_Count	0
71583159	Molecular_Weight	466.6
15258936	Mono_Isotopic_Weight	283.08445790
67488	Defined_Bond_Stereo_Count	0
146156358	Non-hydrogen_Atom_Count	37
118461690	Undefined_Atom_Stereo_Count	2
6956382	Hydrogen_Bond_Donor_Count	0
57213264	Molecular_Weight	110.15
89121960	Structure_Complexity	87.7
54063398	Non-hydrogen_Atom_Count	7
9893228	Defined_Atom_Stereo_Count	0
121494073	Isotope_Atom_Count	0
5353831	Molecular_Weight	331.5
53486446	Covalent_Unit_Count	3
140147	Covalent_Unit_Count	1
135391180	Structure_Complexity	1700
39539	TPSA	15.8
20297542	Non-hydrogen_Atom_Count	8
135398558	Undefined_Bond_Stereo_Count	0
12224256	Total_Formal_Charge	0
15776455	Isotope_Atom_Count	0
95941	Hydrogen_Bond_Donor_Count	1
219093	TPSA	88.2
3084447	Structure_Complexity	249
637932	Undefined_Atom_Stereo_Count	0
8899	Hydrogen_Bond_Acceptor_Count	2
103997	Rotatable_Bond_Count	9
15875	Undefined_Bond_Stereo_Count	0
442076	Molecular_Weight	378.5
23631982	Covalent_Unit_Count	1
11467403	Rotatable_Bond_Count	6
638011	Defined_Atom_Stereo_Count	0
219145	Defined_Atom_Stereo_Count	0
13374861	Hydrogen_Bond_Donor_Count	1
5327159	XLogP3-AA	3.3
71399	Molecular_Weight	445.9
69488452	Non-hydrogen_Atom_Count	8
417753	Hydrogen_Bond_Acceptor_Count	4
393472	Total_Formal_Charge	0
10766	Structure_Complexity	247
39526	Defined_Bond_Stereo_Count	0
22377554	Undefined_Bond_Stereo_Count	0
5352428	Undefined_Bond_Stereo_Count	0
656506	Isotope_Atom_Count	0
5368010	Hydrogen_Bond_Donor_Count	0
24838	Undefined_Atom_Stereo_Count	1
13445099	Rotatable_Bond_Count	4
23506294	Covalent_Unit_Count	1
33886	Defined_Atom_Stereo_Count	0
887798	Covalent_Unit_Count	1
289151	XLogP3-AA	5.1
5954	Hydrogen_Bond_Acceptor_Count	0
135456189	Rotatable_Bond_Count	16
5702160	Exact_Mass	337.04493627
91693	Rotatable_Bond_Count	5
74086836	Exact_Mass	183.87579
410702	Non-hydrogen_Atom_Count	18
7064	Hydrogen_Bond_Donor_Count	2
128423	Mono_Isotopic_Weight	144.06088618
28763	Tautomer_Count	2
77829	Total_Formal_Charge	0
154825180	Undefined_Bond_Stereo_Count	0
45357394	Hydrogen_Bond_Acceptor_Count	6
6439662	Tautomer_Count	1
447905	Undefined_Bond_Stereo_Count	0
75879	Undefined_Bond_Stereo_Count	0
12948	Covalent_Unit_Count	2
32065	Total_Formal_Charge	0
134574427	Molecular_Weight	102.14
68100796	Undefined_Bond_Stereo_Count	0
5385498	Rotatable_Bond_Count	19
16754849	Undefined_Bond_Stereo_Count	0
87243	Undefined_Atom_Stereo_Count	0
35525	Hydrogen_Bond_Donor_Count	0
71237	Hydrogen_Bond_Acceptor_Count	8
1095	Rotatable_Bond_Count	3
114946	Isotope_Atom_Count	0
70235	Covalent_Unit_Count	1
44565797	Isotope_Atom_Count	0
12555	Hydrogen_Bond_Acceptor_Count	3
37854	Defined_Atom_Stereo_Count	0
1197	Non-hydrogen_Atom_Count	20
91575456	Defined_Atom_Stereo_Count	0
57391320	Exact_Mass	422.17427596
23993	Mono_Isotopic_Weight	88.905838
159501	Tautomer_Count	5
14493	Defined_Atom_Stereo_Count	0
3531736	XLogP3-AA	5.1
3776755	Structure_Complexity	144
67156338	Covalent_Unit_Count	1
25067547	Defined_Bond_Stereo_Count	0
8820	TPSA	78.9
90736006	Molecular_Weight	110.20
121639	Defined_Bond_Stereo_Count	0
10002668	Structure_Complexity	741
54422686	Structure_Complexity	55.7
8138	Hydrogen_Bond_Acceptor_Count	2
6435500	Total_Formal_Charge	0
57514685	Rotatable_Bond_Count	11
11633904	Hydrogen_Bond_Donor_Count	1
153238571	Undefined_Atom_Stereo_Count	2
61347	Rotatable_Bond_Count	3
23662264	Defined_Atom_Stereo_Count	0
140751	Molecular_Weight	98.14
2795425	Rotatable_Bond_Count	0
77807	Non-hydrogen_Atom_Count	16
85382	Non-hydrogen_Atom_Count	7
6438361	Exact_Mass	380.1058333
115080585	Undefined_Bond_Stereo_Count	0
3058751	Mono_Isotopic_Weight	295.11839862
52946076	Non-hydrogen_Atom_Count	27
4942	XLogP3-AA	4.7
57403154	Hydrogen_Bond_Donor_Count	4
16049160	XLogP3-AA	2.9
90184753	Rotatable_Bond_Count	3
23615311	Molecular_Weight	203.13
6852129	Non-hydrogen_Atom_Count	14
93303	Defined_Bond_Stereo_Count	0
232532	TPSA	17.1
21285	Covalent_Unit_Count	2
90915688	Mono_Isotopic_Weight	99.104799419
9841863	Total_Formal_Charge	0
51092	Total_Formal_Charge	0
83979	Mono_Isotopic_Weight	543.17406074
13155286	Covalent_Unit_Count	1
23642275	Rotatable_Bond_Count	2
16654980	Covalent_Unit_Count	1
443295	Hydrogen_Bond_Acceptor_Count	6
414243	Hydrogen_Bond_Donor_Count	2
57400229	Isotope_Atom_Count	0
137967135	Isotope_Atom_Count	0
94335	Undefined_Atom_Stereo_Count	1
11304	Structure_Complexity	132
58098237	Defined_Bond_Stereo_Count	0
165411832	Non-hydrogen_Atom_Count	34
157350	Hydrogen_Bond_Donor_Count	1
5288573	Tautomer_Count	9
52766	Undefined_Bond_Stereo_Count	0
67497	Tautomer_Count	1
3317081	Tautomer_Count	1
64975	Total_Formal_Charge	0
408536	Hydrogen_Bond_Acceptor_Count	2
105031	Defined_Bond_Stereo_Count	0
23714647	Rotatable_Bond_Count	2
18717626	Undefined_Atom_Stereo_Count	0
54258707	Isotope_Atom_Count	0
131634423	Mono_Isotopic_Weight	394.1127302
24287	Rotatable_Bond_Count	0
781234	Undefined_Bond_Stereo_Count	0
12029691	Undefined_Bond_Stereo_Count	0
13462200	Defined_Bond_Stereo_Count	0
13848132	Undefined_Bond_Stereo_Count	0
12658877	TPSA	9.2
71600846	Isotope_Atom_Count	0
511883	Total_Formal_Charge	0
87820	Structure_Complexity	206
20232410	Isotope_Atom_Count	0
88269064	Undefined_Atom_Stereo_Count	1
129229305	XLogP3-AA	1.7
5659	Rotatable_Bond_Count	15
4284331	Rotatable_Bond_Count	3
23153	Defined_Bond_Stereo_Count	0
226274	Molecular_Weight	113.16
11697676	Exact_Mass	430.23687621
11722	Exact_Mass	75.032028402
51041	XLogP3	6.6
83805	Non-hydrogen_Atom_Count	24
7250	Molecular_Weight	121.18
61571	Tautomer_Count	1
22661080	Exact_Mass	112.063662883
3082042	Mono_Isotopic_Weight	930.50757173
6327594	Mono_Isotopic_Weight	122.94614
267571	Isotope_Atom_Count	0
374346	Undefined_Atom_Stereo_Count	0
12285869	Hydrogen_Bond_Acceptor_Count	6
20190614	Non-hydrogen_Atom_Count	7
90078	XLogP3-AA	3.4
138199	Structure_Complexity	67.9
82418987	Hydrogen_Bond_Acceptor_Count	2
129734033	Covalent_Unit_Count	3
71624688	TPSA	67.9
129860157	Structure_Complexity	103
45790066	Tautomer_Count	3
25622	Undefined_Bond_Stereo_Count	0
550	TPSA	129
21870	Hydrogen_Bond_Acceptor_Count	2
6946681	Defined_Atom_Stereo_Count	0
71814	Isotope_Atom_Count	0
8163	Molecular_Weight	170.29
136585	Tautomer_Count	1
13586830	Structure_Complexity	145
11749756	Defined_Bond_Stereo_Count	0
44419235	Hydrogen_Bond_Donor_Count	2
16064	Hydrogen_Bond_Acceptor_Count	3
11207	Non-hydrogen_Atom_Count	5
579338	Exact_Mass	123.068413911
7019	Total_Formal_Charge	0
11861988	Exact_Mass	134.096974387
77946	Covalent_Unit_Count	1
6852393	Hydrogen_Bond_Donor_Count	0
121630	Structure_Complexity	96.3
10043211	XLogP3-AA	5.2
24825271	Hydrogen_Bond_Donor_Count	1
3015262	Exact_Mass	116.083729621
101813505	Mono_Isotopic_Weight	363.03549594
436520	Rotatable_Bond_Count	17
472812	Defined_Atom_Stereo_Count	0
18618629	Undefined_Atom_Stereo_Count	1
5194779	Covalent_Unit_Count	1
7398	Undefined_Atom_Stereo_Count	0
13968540	Isotope_Atom_Count	0
47471	Hydrogen_Bond_Acceptor_Count	5
42552713	Exact_Mass	342.11621151
67795854	Exact_Mass	342.11621151
88728889	Structure_Complexity	110
11979961	Non-hydrogen_Atom_Count	148
97006	Hydrogen_Bond_Acceptor_Count	3
40903	Molecular_Weight	478.0
24892775	Molecular_Weight	530.31
175534	Mono_Isotopic_Weight	319.1702921
24005	TPSA	20.2
67291675	Defined_Atom_Stereo_Count	0
5288227	Structure_Complexity	108
12598088	Hydrogen_Bond_Acceptor_Count	1
168707	Structure_Complexity	489
83735	Undefined_Atom_Stereo_Count	0
23681559	Undefined_Atom_Stereo_Count	0
21205308	Undefined_Bond_Stereo_Count	0
493	Hydrogen_Bond_Acceptor_Count	21
19859	Hydrogen_Bond_Donor_Count	1
19835	Hydrogen_Bond_Acceptor_Count	2
9159	Undefined_Bond_Stereo_Count	0
69610	Non-hydrogen_Atom_Count	5
57060020	TPSA	38
82789	Total_Formal_Charge	0
13311902	Covalent_Unit_Count	1
1549097	Tautomer_Count	1
81423	Structure_Complexity	126
9909054	Mono_Isotopic_Weight	401.1605153
129627802	XLogP3-AA	2.1
8679	Mono_Isotopic_Weight	219.104799419
492967	Rotatable_Bond_Count	15
68135	Exact_Mass	111.99828592
56987624	XLogP3-AA	0.4
44426760	Defined_Bond_Stereo_Count	0
66383	Undefined_Bond_Stereo_Count	0
760021	Molecular_Weight	229.27
2284	Structure_Complexity	191
134687950	Exact_Mass	493.23118169
20949	Undefined_Bond_Stereo_Count	0
138125	Undefined_Atom_Stereo_Count	1
5367564	Rotatable_Bond_Count	3
441	Hydrogen_Bond_Acceptor_Count	3
16130199	Rotatable_Bond_Count	151
25386	Covalent_Unit_Count	2
84078	Defined_Bond_Stereo_Count	0
143331072	Non-hydrogen_Atom_Count	8
38016	Hydrogen_Bond_Donor_Count	0
12022	Hydrogen_Bond_Acceptor_Count	1
162681560	Defined_Bond_Stereo_Count	0
9933004	Exact_Mass	441.1518423
91825716	Defined_Atom_Stereo_Count	1
76223940	TPSA	21.9
9810771	Exact_Mass	758.2146534
18182	TPSA	49.9
6918203	Tautomer_Count	1
70682196	Mono_Isotopic_Weight	412.18992602
133561657	Structure_Complexity	1040
17318	Defined_Atom_Stereo_Count	0
57394020	Undefined_Bond_Stereo_Count	0
17378	Undefined_Atom_Stereo_Count	0
4583	Rotatable_Bond_Count	2
76223467	Exact_Mass	81.057849228
79323706	Defined_Bond_Stereo_Count	0
197160	Covalent_Unit_Count	1
18541897	Isotope_Atom_Count	0
15887890	Non-hydrogen_Atom_Count	6
17700	Structure_Complexity	435
15504	Undefined_Bond_Stereo_Count	0
725	Hydrogen_Bond_Donor_Count	0
24229456	TPSA	49.8
33473	Hydrogen_Bond_Donor_Count	1
9210	Undefined_Bond_Stereo_Count	0
239377	TPSA	29.5
135975	Hydrogen_Bond_Donor_Count	0
29498	Undefined_Atom_Stereo_Count	0
6387197	Non-hydrogen_Atom_Count	2
101106	Molecular_Weight	219.28
31315	XLogP3-AA	3.2
16095274	Covalent_Unit_Count	1
60196271	Hydrogen_Bond_Acceptor_Count	16
147277331	Defined_Bond_Stereo_Count	0
5352135	Covalent_Unit_Count	1
4549	Isotope_Atom_Count	0
2781	Structure_Complexity	376
956	Hydrogen_Bond_Donor_Count	10
84197	Covalent_Unit_Count	1
12453	Undefined_Atom_Stereo_Count	0
12303048	Molecular_Weight	897.8
151707353	Molecular_Weight	112.13
12359154	Non-hydrogen_Atom_Count	20
159603	XLogP3-AA	1.3
54518010	Non-hydrogen_Atom_Count	7
10378638	Defined_Bond_Stereo_Count	0
636403	XLogP3-AA	6.4
3855171	Structure_Complexity	375
65063	Total_Formal_Charge	0
6438354	Undefined_Atom_Stereo_Count	0
22335779	Rotatable_Bond_Count	2
39266	Tautomer_Count	1
9962644	Defined_Atom_Stereo_Count	15
68503	Defined_Atom_Stereo_Count	0
89456730	Rotatable_Bond_Count	0
866077	Molecular_Weight	311.79
6388	Non-hydrogen_Atom_Count	5
77843966	Undefined_Atom_Stereo_Count	0
8508	Molecular_Weight	545.7
103528	Molecular_Weight	210.27
21542775	Defined_Atom_Stereo_Count	0
300673	Mono_Isotopic_Weight	102.115698455
21863610	Defined_Atom_Stereo_Count	0
52129	Exact_Mass	411.1367991
135908617	Structure_Complexity	477
11281011	Isotope_Atom_Count	0
595230	TPSA	53.1
87425008	Mono_Isotopic_Weight	348.96256697
39617	Covalent_Unit_Count	1
101587	Total_Formal_Charge	0
135398645	Undefined_Bond_Stereo_Count	0
3025803	Defined_Atom_Stereo_Count	0
12178790	Hydrogen_Bond_Donor_Count	0
10098504	Total_Formal_Charge	0
21828691	Undefined_Bond_Stereo_Count	0
68365444	Hydrogen_Bond_Acceptor_Count	2
13946908	Undefined_Bond_Stereo_Count	0
266742	Molecular_Weight	152.19
64328	TPSA	6.5
736351	Non-hydrogen_Atom_Count	17
51762	Exact_Mass	326.12263431
12082513	Covalent_Unit_Count	1
69484	TPSA	43.4
551434	Hydrogen_Bond_Donor_Count	1
23537	TPSA	29.1
286	Undefined_Atom_Stereo_Count	0
38854	TPSA	71
129650960	Hydrogen_Bond_Acceptor_Count	11
5354264	TPSA	17.1
22033763	Defined_Atom_Stereo_Count	0
69627068	Non-hydrogen_Atom_Count	8
52940549	Isotope_Atom_Count	0
12829086	Molecular_Weight	116.16
19211	Non-hydrogen_Atom_Count	12
139062015	Non-hydrogen_Atom_Count	21
5362417	Total_Formal_Charge	0
5464313	Defined_Bond_Stereo_Count	1
62413	Covalent_Unit_Count	2
565082	Defined_Atom_Stereo_Count	0
13462200	TPSA	20.2
13791	Hydrogen_Bond_Acceptor_Count	3
11306073	Defined_Bond_Stereo_Count	0
1611	TPSA	191
21917899	Non-hydrogen_Atom_Count	13
139579	Isotope_Atom_Count	0
121207424	Isotope_Atom_Count	0
587322	Hydrogen_Bond_Acceptor_Count	4
242493	Undefined_Bond_Stereo_Count	0
194622	Hydrogen_Bond_Acceptor_Count	5
31343	Undefined_Atom_Stereo_Count	1
95883	Covalent_Unit_Count	1
19079	XLogP3-AA	3.6
60196415	Covalent_Unit_Count	2
11840927	Mono_Isotopic_Weight	228.09324893
54036153	Mono_Isotopic_Weight	111.068413911
5319706	XLogP3-AA	6.2
493592	Mono_Isotopic_Weight	358.09336807
123494194	Total_Formal_Charge	0
86590530	Non-hydrogen_Atom_Count	1
4438	Hydrogen_Bond_Donor_Count	3
78323	Hydrogen_Bond_Donor_Count	2
9808998	Non-hydrogen_Atom_Count	44
903069	Non-hydrogen_Atom_Count	16
4451	Undefined_Atom_Stereo_Count	5
45120722	Rotatable_Bond_Count	0
4460493	XLogP3-AA	0.5
68002	Covalent_Unit_Count	2
52948200	Exact_Mass	397.16018325
11622593	Mono_Isotopic_Weight	212.11609238
38852	Covalent_Unit_Count	5
9701	Isotope_Atom_Count	0
54840	Hydrogen_Bond_Acceptor_Count	2
549240	TPSA	21.9
3033818	Non-hydrogen_Atom_Count	24
9962	Structure_Complexity	106
2879	Mono_Isotopic_Weight	108.057514874
10638	Undefined_Atom_Stereo_Count	0
65770	XLogP3	3.4
65055	Defined_Atom_Stereo_Count	0
148539	TPSA	12.5
588	Structure_Complexity	151
23727689	XLogP3-AA	6
329983	Rotatable_Bond_Count	0
7167	Hydrogen_Bond_Donor_Count	0
139133	Exact_Mass	114.068079557
191841	Total_Formal_Charge	0
36037	Mono_Isotopic_Weight	267.173547683
6450830	Hydrogen_Bond_Donor_Count	3
265237	Undefined_Bond_Stereo_Count	0
4914117	Molecular_Weight	258.30
270840	Structure_Complexity	517
4332	Hydrogen_Bond_Acceptor_Count	4
928	Hydrogen_Bond_Donor_Count	8
24772043	Molecular_Weight	454.6
3037918	Hydrogen_Bond_Acceptor_Count	1
3000	Hydrogen_Bond_Donor_Count	2
444022	Total_Formal_Charge	0
53714679	Hydrogen_Bond_Acceptor_Count	2
9363	Rotatable_Bond_Count	4
103565751	Covalent_Unit_Count	1
3505109	Hydrogen_Bond_Donor_Count	2
5464317	XLogP3-AA	0.7
5282168	Rotatable_Bond_Count	10
105220819	Hydrogen_Bond_Donor_Count	2
71985	XLogP3-AA	3.7
160332	XLogP3-AA	5.6
6549	Mono_Isotopic_Weight	154.135765193
10129911	Defined_Atom_Stereo_Count	0
5256168	Exact_Mass	111.96527171
131954763	Hydrogen_Bond_Acceptor_Count	4
12170666	Undefined_Bond_Stereo_Count	0
3164136	Hydrogen_Bond_Donor_Count	0
16224	Non-hydrogen_Atom_Count	11
23009814	Total_Formal_Charge	0
12160	Mono_Isotopic_Weight	120.093900383
11659	Exact_Mass	241.77233
12661198	Hydrogen_Bond_Acceptor_Count	2
498650	Total_Formal_Charge	0
5311096	Total_Formal_Charge	0
66624196	Undefined_Atom_Stereo_Count	0
774262	Mono_Isotopic_Weight	267.06439116
135398508	Isotope_Atom_Count	0
36084	Hydrogen_Bond_Donor_Count	2
3772	Defined_Bond_Stereo_Count	0
590907	XLogP3-AA	4.5
76216	Undefined_Atom_Stereo_Count	0
13698	Structure_Complexity	207
19738468	Exact_Mass	114.068079557
123600	Total_Formal_Charge	0
89136345	Structure_Complexity	169
519642	Rotatable_Bond_Count	1
143723227	Hydrogen_Bond_Donor_Count	0
605	Covalent_Unit_Count	1
3485	Exact_Mass	100.052429494
22859	Non-hydrogen_Atom_Count	32
4762	Hydrogen_Bond_Donor_Count	1
6378383	Mono_Isotopic_Weight	357.209264485
16219371	Covalent_Unit_Count	1
67978393	Molecular_Weight	96.13
9227	Defined_Bond_Stereo_Count	0
135412609	Undefined_Bond_Stereo_Count	0
14025	Undefined_Atom_Stereo_Count	0
14723648	Structure_Complexity	95.8
135887831	Undefined_Bond_Stereo_Count	0
3288597	Non-hydrogen_Atom_Count	26
5742673	Molecular_Weight	455.5
24268	Non-hydrogen_Atom_Count	5
448545	Rotatable_Bond_Count	6
101955	Hydrogen_Bond_Acceptor_Count	2
131536	Molecular_Weight	585.6
5359272	Total_Formal_Charge	0
65664	Covalent_Unit_Count	1
21590560	Covalent_Unit_Count	1
234473	Exact_Mass	285.06709375
5342002	Rotatable_Bond_Count	4
515574	Defined_Atom_Stereo_Count	0
163488608	Undefined_Atom_Stereo_Count	0
47455	Hydrogen_Bond_Acceptor_Count	5
3082555	Tautomer_Count	6
2826	Non-hydrogen_Atom_Count	22
3863	Defined_Atom_Stereo_Count	0
81669	Molecular_Weight	133.62
12649776	Structure_Complexity	74.1
3483736	Total_Formal_Charge	1
51039095	Total_Formal_Charge	0
10132	Undefined_Bond_Stereo_Count	0
128600	Isotope_Atom_Count	0
864	Structure_Complexity	150
439353	Rotatable_Bond_Count	1
84179	Hydrogen_Bond_Acceptor_Count	1
54167837	Rotatable_Bond_Count	3
44339779	Hydrogen_Bond_Acceptor_Count	2
17769889	Hydrogen_Bond_Donor_Count	1
131872	Hydrogen_Bond_Donor_Count	1
23916	Mono_Isotopic_Weight	140.156500638
50100	Isotope_Atom_Count	0
57395977	Structure_Complexity	570
249006	Hydrogen_Bond_Donor_Count	2
5280570	Non-hydrogen_Atom_Count	32
53364498	Defined_Bond_Stereo_Count	0
56848	Non-hydrogen_Atom_Count	29
822	Undefined_Atom_Stereo_Count	24
57396865	Exact_Mass	360.18492083
57131886	Hydrogen_Bond_Acceptor_Count	1
10130270	Defined_Bond_Stereo_Count	0
48104	Exact_Mass	259.1339066
57061367	Structure_Complexity	62.7
13647	Rotatable_Bond_Count	1
353481	Hydrogen_Bond_Donor_Count	8
87386545	Hydrogen_Bond_Donor_Count	2
520540	Molecular_Weight	84.12
54686183	Undefined_Atom_Stereo_Count	0
5052860	Defined_Atom_Stereo_Count	0
18442682	Molecular_Weight	113.16
65856	TPSA	39.7
21336123	Exact_Mass	116.083729621
54758599	TPSA	751
5486198	Isotope_Atom_Count	0
53555	Molecular_Weight	283.32
9250	Mono_Isotopic_Weight	56.062600255
137348308	Molecular_Weight	348.4
19241	Isotope_Atom_Count	0
107992	Tautomer_Count	1
73425700	Defined_Atom_Stereo_Count	0
11078	Exact_Mass	330.1710204
544563	XLogP3-AA	1.2
129636908	Hydrogen_Bond_Acceptor_Count	21
96379	Rotatable_Bond_Count	6
60196346	Structure_Complexity	952
46201499	Structure_Complexity	66.6
22447183	Isotope_Atom_Count	0
11450633	Undefined_Bond_Stereo_Count	0
118460906	Defined_Atom_Stereo_Count	6
80037	Defined_Bond_Stereo_Count	0
5838	Hydrogen_Bond_Acceptor_Count	3
123880197	Hydrogen_Bond_Acceptor_Count	0
123348667	Non-hydrogen_Atom_Count	8
5280353	Covalent_Unit_Count	1
123610	Undefined_Atom_Stereo_Count	5
821327	Undefined_Atom_Stereo_Count	0
87646	Exact_Mass	142.135765193
20936	Exact_Mass	204.10064299
11787114	Molecular_Weight	654.7
90942134	Hydrogen_Bond_Acceptor_Count	3
16836	Hydrogen_Bond_Acceptor_Count	5
52148	Undefined_Atom_Stereo_Count	0
28393	Molecular_Weight	285.76
99357	Rotatable_Bond_Count	1
85500	Defined_Atom_Stereo_Count	0
24762228	Total_Formal_Charge	0
29138	Structure_Complexity	409
58206428	Isotope_Atom_Count	0
2187	Molecular_Weight	293.4
8229	Undefined_Bond_Stereo_Count	0
3283	Isotope_Atom_Count	0
104769	Structure_Complexity	288
38972	Hydrogen_Bond_Donor_Count	0
71112763	Defined_Bond_Stereo_Count	0
13382	Undefined_Atom_Stereo_Count	0
71774	Structure_Complexity	307
4630917	Undefined_Bond_Stereo_Count	0
543882	TPSA	9.2
90928	Mono_Isotopic_Weight	160.146329876
393405	Defined_Bond_Stereo_Count	0
14018587	Defined_Atom_Stereo_Count	0
17963363	Undefined_Bond_Stereo_Count	0
12518095	Exact_Mass	112.052429494
10812218	Covalent_Unit_Count	1
4611851	Hydrogen_Bond_Acceptor_Count	2
8419	Hydrogen_Bond_Acceptor_Count	3
31229	Undefined_Atom_Stereo_Count	0
14357	Hydrogen_Bond_Acceptor_Count	4
5352624	Rotatable_Bond_Count	4
59653	Covalent_Unit_Count	1
3083346	Undefined_Atom_Stereo_Count	0
21465770	XLogP3-AA	3.6
656665	Hydrogen_Bond_Donor_Count	1
42808	Mono_Isotopic_Weight	155.930033
3037261	Rotatable_Bond_Count	1
16656889	Molecular_Weight	508.4
11640390	Covalent_Unit_Count	1
9810929	Hydrogen_Bond_Acceptor_Count	9
16212479	Undefined_Bond_Stereo_Count	0
100937012	Defined_Bond_Stereo_Count	0
154911	Isotope_Atom_Count	0
7964	Rotatable_Bond_Count	0
5388937	Total_Formal_Charge	0
5485201	Total_Formal_Charge	0
2811261	Defined_Atom_Stereo_Count	0
5893	Covalent_Unit_Count	1
11136668	Non-hydrogen_Atom_Count	63
12760717	Rotatable_Bond_Count	0
12733	XLogP3-AA	1.8
24682	Covalent_Unit_Count	1
57503849	Molecular_Weight	1261.4
6420045	Tautomer_Count	124
9233	Tautomer_Count	1
7711	Hydrogen_Bond_Donor_Count	0
121494046	Molecular_Weight	181.15
9912474	Undefined_Bond_Stereo_Count	0
12623598	Defined_Bond_Stereo_Count	0
53191	Defined_Bond_Stereo_Count	0
5194	Exact_Mass	740.44994823
132274074	Molecular_Weight	1620.7
2188	Exact_Mass	340.9066861
159269	Defined_Atom_Stereo_Count	3
483180	Structure_Complexity	463
13375090	Isotope_Atom_Count	0
18736159	Structure_Complexity	98.6
148140	Hydrogen_Bond_Donor_Count	1
8289	Undefined_Atom_Stereo_Count	0
455	Undefined_Bond_Stereo_Count	0
57536767	Isotope_Atom_Count	0
984396	Isotope_Atom_Count	0
437080	Defined_Bond_Stereo_Count	0
36689718	Isotope_Atom_Count	0
20543	Molecular_Weight	457.7
24183437	Covalent_Unit_Count	2
138440	Undefined_Bond_Stereo_Count	0
79840	Structure_Complexity	52.6
102856	Rotatable_Bond_Count	12
54443523	Defined_Bond_Stereo_Count	0
22065216	Defined_Atom_Stereo_Count	0
13539	Isotope_Atom_Count	0
13035120	Undefined_Atom_Stereo_Count	0
10870	Exact_Mass	134.109550447
31492	Hydrogen_Bond_Acceptor_Count	2
10582755	Molecular_Weight	110.15
71210615	Non-hydrogen_Atom_Count	23
24586	Defined_Bond_Stereo_Count	0
19100566	TPSA	32.3
5717	Structure_Complexity	1010
5479	Defined_Bond_Stereo_Count	0
141169621	Undefined_Bond_Stereo_Count	0
10472	Tautomer_Count	1
11722	Rotatable_Bond_Count	1
9804938	Undefined_Atom_Stereo_Count	0
149208291	Exact_Mass	97.089149355
7210	Total_Formal_Charge	0
6921	XLogP3	3.5
11642048	Undefined_Bond_Stereo_Count	0
139771583	Structure_Complexity	118
11360614	Covalent_Unit_Count	1
57395977	Rotatable_Bond_Count	10
14693963	TPSA	9.2
96805	Defined_Atom_Stereo_Count	1
38910	Rotatable_Bond_Count	2
68321874	Exact_Mass	335.16337692
479930	Undefined_Atom_Stereo_Count	1
95946	Hydrogen_Bond_Donor_Count	2
14545018	Defined_Bond_Stereo_Count	0
9808828	Total_Formal_Charge	0
66026334	Rotatable_Bond_Count	3
21028424	Defined_Atom_Stereo_Count	0
5281769	Molecular_Weight	516.4
12298558	Covalent_Unit_Count	1
10351656	Defined_Atom_Stereo_Count	0
586156	Covalent_Unit_Count	1
11477084	Defined_Atom_Stereo_Count	0
56842239	Rotatable_Bond_Count	40
91585	Undefined_Atom_Stereo_Count	1
8679	TPSA	12
7225	TPSA	26
11474	Total_Formal_Charge	0
22576	Undefined_Atom_Stereo_Count	0
81458	TPSA	0
38531	Structure_Complexity	310
20821286	Isotope_Atom_Count	0
137705114	Structure_Complexity	415
3007984	Molecular_Weight	783.9
25724	Molecular_Weight	205.26
74266	Undefined_Bond_Stereo_Count	0
94020	Non-hydrogen_Atom_Count	22
898	Molecular_Weight	301.19
53628440	Defined_Bond_Stereo_Count	0
12536263	Hydrogen_Bond_Donor_Count	3
5282165	Isotope_Atom_Count	0
7017843	Defined_Bond_Stereo_Count	0
58471	Hydrogen_Bond_Acceptor_Count	4
15703	Undefined_Bond_Stereo_Count	0
626732	Hydrogen_Bond_Acceptor_Count	3
137580	XLogP3	2.1
5776	Total_Formal_Charge	0
83433	Molecular_Weight	556.7
13598997	Covalent_Unit_Count	1
11078406	TPSA	16.6
6032	Defined_Bond_Stereo_Count	0
14577080	Hydrogen_Bond_Acceptor_Count	2
63853	Molecular_Weight	363.4
46936750	Non-hydrogen_Atom_Count	23
3492020	Undefined_Bond_Stereo_Count	0
46781343	Total_Formal_Charge	0
18310	Mono_Isotopic_Weight	254.073164938
93374	Undefined_Atom_Stereo_Count	0
5314123	Mono_Isotopic_Weight	96.057514874
70609968	Defined_Bond_Stereo_Count	0
359	Undefined_Bond_Stereo_Count	0
28540	Tautomer_Count	3
44600	Hydrogen_Bond_Donor_Count	2
32619	Total_Formal_Charge	0
141836779	TPSA	20.2
4235600	Rotatable_Bond_Count	2
10206844	Hydrogen_Bond_Donor_Count	4
439263	Molecular_Weight	156.26
130804992	Mono_Isotopic_Weight	101.084063974
21493122	Isotope_Atom_Count	0
15593306	Mono_Isotopic_Weight	111.068413911
20666035	Undefined_Bond_Stereo_Count	0
2734664	Molecular_Weight	140.25
67324	Rotatable_Bond_Count	2
58806244	Defined_Bond_Stereo_Count	0
11072675	Hydrogen_Bond_Donor_Count	0
39494	Exact_Mass	345.1607901
5281718	Structure_Complexity	506
15608605	Molecular_Weight	416.5
71165	Total_Formal_Charge	0
69310	Mono_Isotopic_Weight	554.45463969
7532	Exact_Mass	172.01941529
23783	Defined_Bond_Stereo_Count	0
10841	Structure_Complexity	159
129905275	Isotope_Atom_Count	0
129628904	Defined_Bond_Stereo_Count	0
4126474	Undefined_Atom_Stereo_Count	0
19223	Mono_Isotopic_Weight	186.161979940
68023	Hydrogen_Bond_Donor_Count	0
60134	Isotope_Atom_Count	0
72941955	Covalent_Unit_Count	1
4581	Structure_Complexity	111
131751505	Undefined_Bond_Stereo_Count	0
185554	Defined_Bond_Stereo_Count	0
44392244	TPSA	35.6
101613952	Isotope_Atom_Count	0
46943323	Hydrogen_Bond_Acceptor_Count	6
21718085	Exact_Mass	94.078250319
5311217	Isotope_Atom_Count	0
31388	Hydrogen_Bond_Donor_Count	1
8404	XLogP3	3.5
97982	Isotope_Atom_Count	0
7469	Exact_Mass	136.052429494
72823181	Covalent_Unit_Count	1
20216100	Structure_Complexity	76.2
4762	Covalent_Unit_Count	1
543237	Total_Formal_Charge	0
22594079	Mono_Isotopic_Weight	119.00409958
3711576	Defined_Atom_Stereo_Count	0
62545	Hydrogen_Bond_Acceptor_Count	5
67434749	TPSA	52
91272	Undefined_Bond_Stereo_Count	0
59894	XLogP3	1.8
10191021	Defined_Bond_Stereo_Count	0
12305761	Rotatable_Bond_Count	3
17757212	Mono_Isotopic_Weight	423.1574413
163940165	Hydrogen_Bond_Acceptor_Count	1
23311753	Defined_Bond_Stereo_Count	0
6537506	Undefined_Bond_Stereo_Count	0
91026652	Hydrogen_Bond_Acceptor_Count	2
7022	Molecular_Weight	239.25
66948	Defined_Atom_Stereo_Count	0
5078130	Mono_Isotopic_Weight	270.20691876
25144717	Isotope_Atom_Count	0
533427	Molecular_Weight	92.10
3117	Undefined_Atom_Stereo_Count	0
102004571	Structure_Complexity	914
27755	Mono_Isotopic_Weight	417.08169844
22138130	Total_Formal_Charge	0
66550979	Undefined_Atom_Stereo_Count	0
5365910	Defined_Atom_Stereo_Count	0
65174	TPSA	221
6918146	Defined_Bond_Stereo_Count	0
143088	Defined_Bond_Stereo_Count	0
65411	XLogP3-AA	0.7
16213668	Non-hydrogen_Atom_Count	22
21677822	Molecular_Weight	108.18
24949398	Molecular_Weight	403.3
592279	Defined_Atom_Stereo_Count	0
90895196	Isotope_Atom_Count	0
5328940	Undefined_Atom_Stereo_Count	0
87098264	Exact_Mass	189.94322646
7427	Covalent_Unit_Count	1
88235	Exact_Mass	311.0149699
18079	Hydrogen_Bond_Donor_Count	2
13132266	Undefined_Bond_Stereo_Count	0
10461263	Exact_Mass	603.27669259
10372836	Undefined_Bond_Stereo_Count	0
12496412	Rotatable_Bond_Count	11
54676537	Defined_Atom_Stereo_Count	0
24190253	Hydrogen_Bond_Donor_Count	1
36688137	Non-hydrogen_Atom_Count	25
72627	XLogP3-AA	4.7
1712010	Undefined_Atom_Stereo_Count	0
60196374	Hydrogen_Bond_Acceptor_Count	2
3080548	Defined_Bond_Stereo_Count	0
22224184	Hydrogen_Bond_Donor_Count	0
147074	Rotatable_Bond_Count	1
136674	XLogP3-AA	3.2
76973133	Exact_Mass	307.16924322
54058352	Mono_Isotopic_Weight	115.063328530
13593925	Isotope_Atom_Count	0
51086	Covalent_Unit_Count	1
9825070	Undefined_Atom_Stereo_Count	0
13198436	Exact_Mass	102.031694049
14077	Defined_Bond_Stereo_Count	0
3843	Tautomer_Count	1
22120522	Exact_Mass	102.079312947
94213	Defined_Bond_Stereo_Count	0
70683091	Mono_Isotopic_Weight	488.21475861
192155	Total_Formal_Charge	0
54095609	Undefined_Atom_Stereo_Count	1
71329	Hydrogen_Bond_Acceptor_Count	8
304497	TPSA	87
126708022	Molecular_Weight	104.15
54712709	Rotatable_Bond_Count	2
12858475	Structure_Complexity	305
67210	Mono_Isotopic_Weight	298.02258592
449101	Exact_Mass	149.06880783
11499204	Rotatable_Bond_Count	0
5497143	Defined_Atom_Stereo_Count	5
517072	Non-hydrogen_Atom_Count	5
23689390	Covalent_Unit_Count	2
44181920	Defined_Atom_Stereo_Count	0
21611	Defined_Atom_Stereo_Count	0
102102855	Mono_Isotopic_Weight	152.05589216
57394210	Rotatable_Bond_Count	8
13410810	XLogP3-AA	0.5
91936858	Defined_Atom_Stereo_Count	1
139026156	Non-hydrogen_Atom_Count	23
2724170	Undefined_Atom_Stereo_Count	0
2092	Hydrogen_Bond_Acceptor_Count	8
18393	Hydrogen_Bond_Acceptor_Count	1
398599	Covalent_Unit_Count	2
182420	Tautomer_Count	1
79041	Non-hydrogen_Atom_Count	9
67242154	Non-hydrogen_Atom_Count	8
135564773	Rotatable_Bond_Count	3
42539	Molecular_Weight	254.3
8442	Tautomer_Count	1
46869955	Non-hydrogen_Atom_Count	29
65125	TPSA	84.7
10630	Hydrogen_Bond_Acceptor_Count	3
57474	XLogP3	1.6
10308	TPSA	12
24437	Defined_Atom_Stereo_Count	0
24205	Defined_Bond_Stereo_Count	0
147740	Molecular_Weight	662.9
398593	Structure_Complexity	144
23783	Defined_Atom_Stereo_Count	0
6426739	Molecular_Weight	349.4
134860471	Rotatable_Bond_Count	1
119747	Hydrogen_Bond_Acceptor_Count	19
53689385	Hydrogen_Bond_Donor_Count	0
11161534	Hydrogen_Bond_Acceptor_Count	3
1570	Structure_Complexity	162
19077501	Non-hydrogen_Atom_Count	27
90996	Molecular_Weight	328.9
165685	Exact_Mass	723.78534
123642549	TPSA	41.5
42626880	Structure_Complexity	1230
69070	Undefined_Bond_Stereo_Count	0
9604654	Mono_Isotopic_Weight	423.0863188
90488794	Undefined_Bond_Stereo_Count	0
22522	Non-hydrogen_Atom_Count	17
137092	Defined_Atom_Stereo_Count	0
24896135	Undefined_Bond_Stereo_Count	0
53401856	Covalent_Unit_Count	1
53706529	Non-hydrogen_Atom_Count	8
22635267	Molecular_Weight	360.65
312915	Exact_Mass	473.24135246
6857474	Defined_Atom_Stereo_Count	0
71484	Structure_Complexity	995
124014051	Mono_Isotopic_Weight	113.084063974
133268473	Isotope_Atom_Count	0
25167947	Isotope_Atom_Count	0
21720742	Molecular_Weight	113.16
18406186	Rotatable_Bond_Count	5
14698	Molecular_Weight	314.4
59776206	Isotope_Atom_Count	0
204506	Tautomer_Count	3
3275	Defined_Bond_Stereo_Count	0
446201	Undefined_Atom_Stereo_Count	0
10184665	Hydrogen_Bond_Acceptor_Count	6
166796	Structure_Complexity	596
10698	Isotope_Atom_Count	0
138991601	XLogP3-AA	4.6
22875828	Rotatable_Bond_Count	2
7516	Undefined_Bond_Stereo_Count	0
44562	Hydrogen_Bond_Acceptor_Count	3
97617	Undefined_Atom_Stereo_Count	0
74262	Exact_Mass	332.156500638
127676	Hydrogen_Bond_Acceptor_Count	5
57458936	Hydrogen_Bond_Donor_Count	19
2342	Structure_Complexity	582
403016	Molecular_Weight	455.5
5287736	XLogP3-AA	0.7
10931393	Covalent_Unit_Count	1
129816	Isotope_Atom_Count	0
522996	Covalent_Unit_Count	1
44358405	Mono_Isotopic_Weight	302.0947815
5702162	Structure_Complexity	303
4571	Undefined_Bond_Stereo_Count	0
9854073	Structure_Complexity	1690
129316905	TPSA	113
19193	Molecular_Weight	109.13
21124389	Defined_Bond_Stereo_Count	0
118855904	Rotatable_Bond_Count	1
23663950	Covalent_Unit_Count	2
54150248	Structure_Complexity	74.1
17351	Hydrogen_Bond_Acceptor_Count	2
22596604	Defined_Bond_Stereo_Count	0
10407275	Undefined_Bond_Stereo_Count	0
3859614	Mono_Isotopic_Weight	256.181372715
9942	Covalent_Unit_Count	1
16599	Rotatable_Bond_Count	5
463694	Hydrogen_Bond_Acceptor_Count	4
54693768	Defined_Atom_Stereo_Count	0
4293	Exact_Mass	337.95234150
154067559	Total_Formal_Charge	0
45255110	Undefined_Atom_Stereo_Count	0
144813235	TPSA	52.3
14438030	XLogP3-AA	1.1
20644245	Non-hydrogen_Atom_Count	7
3264	TPSA	52.6
23708	Rotatable_Bond_Count	12
14843	Non-hydrogen_Atom_Count	31
20055558	Mono_Isotopic_Weight	517.1074344
44570629	Rotatable_Bond_Count	5
25102	Hydrogen_Bond_Donor_Count	4
81658	Structure_Complexity	171
170472	Undefined_Bond_Stereo_Count	0
54581335	Rotatable_Bond_Count	4
6752	Undefined_Bond_Stereo_Count	0
122308	Defined_Atom_Stereo_Count	0
12264	Undefined_Bond_Stereo_Count	0
57114132	Isotope_Atom_Count	0
37612	TPSA	37
16237	Non-hydrogen_Atom_Count	13
4615193	Defined_Bond_Stereo_Count	0
79161	Molecular_Weight	360.21
118665446	TPSA	26.3
135398619	Undefined_Atom_Stereo_Count	0
10430619	Total_Formal_Charge	0
68009306	Defined_Bond_Stereo_Count	0
51644315	Hydrogen_Bond_Donor_Count	1
21079839	Total_Formal_Charge	0
122669	Tautomer_Count	1
8048	Isotope_Atom_Count	0
57558284	Total_Formal_Charge	0
60975	Non-hydrogen_Atom_Count	18
135516356	Hydrogen_Bond_Acceptor_Count	6
21917771	Undefined_Atom_Stereo_Count	0
135398560	Defined_Bond_Stereo_Count	0
45344	Exact_Mass	333.1262344
129821598	Molecular_Weight	167.25
28582	Exact_Mass	309.12210670
548230	Isotope_Atom_Count	0
121749	Hydrogen_Bond_Donor_Count	3
23615703	Molecular_Weight	204.18
4984721	Defined_Atom_Stereo_Count	0
38532	Undefined_Bond_Stereo_Count	2
49858375	Covalent_Unit_Count	1
11040661	Exact_Mass	114.068079557
66704467	Defined_Bond_Stereo_Count	0
69336	Hydrogen_Bond_Acceptor_Count	3
9918581	Isotope_Atom_Count	0
54758308	Rotatable_Bond_Count	9
447626	Covalent_Unit_Count	2
642132	XLogP3-AA	1.8
93462	Defined_Atom_Stereo_Count	0
13711	Hydrogen_Bond_Acceptor_Count	4
29759	Hydrogen_Bond_Donor_Count	1
84787	Undefined_Atom_Stereo_Count	0
94213	Defined_Atom_Stereo_Count	0
51030054	Hydrogen_Bond_Acceptor_Count	8
72376365	Exact_Mass	785.31085
46780884	Molecular_Weight	562.5
1755	Non-hydrogen_Atom_Count	15
10976469	Mono_Isotopic_Weight	199.02457404
219833	Defined_Atom_Stereo_Count	9
5360134	Molecular_Weight	116.17
10931394	Mono_Isotopic_Weight	112.063662883
65093	XLogP3-AA	2.6
18087	Non-hydrogen_Atom_Count	11
6436083	Molecular_Weight	538.5
1059	Non-hydrogen_Atom_Count	9
6150	Structure_Complexity	465
68169200	Mono_Isotopic_Weight	110.073164938
4349	Undefined_Atom_Stereo_Count	4
3321360	Rotatable_Bond_Count	0
10498042	XLogP3-AA	6.2
13240377	Isotope_Atom_Count	0
197998	Exact_Mass	359.1652068
54025583	Hydrogen_Bond_Acceptor_Count	2
8118	TPSA	25.3
1429	Hydrogen_Bond_Acceptor_Count	3
15710945	Total_Formal_Charge	0
274075	TPSA	58.1
54607635	Non-hydrogen_Atom_Count	32
21117498	Structure_Complexity	83.7
82650946	Undefined_Atom_Stereo_Count	0
4760	XLogP3	2.9
119096546	Molecular_Weight	116.11
19143	XLogP3	2.6
80084	Undefined_Bond_Stereo_Count	0
5257437	TPSA	0
91227950	Mono_Isotopic_Weight	95.073499291
71456725	Total_Formal_Charge	0
11317439	TPSA	126
11667893	Mono_Isotopic_Weight	373.19026037
136786	Undefined_Atom_Stereo_Count	0
573592	Undefined_Bond_Stereo_Count	0
140653	Undefined_Atom_Stereo_Count	1
31393	Hydrogen_Bond_Acceptor_Count	1
6321	Exact_Mass	187.96355763
70060	Hydrogen_Bond_Donor_Count	3
5281881	Defined_Bond_Stereo_Count	1
7890	Hydrogen_Bond_Donor_Count	0
38252	Tautomer_Count	1
83800	Undefined_Bond_Stereo_Count	0
10953450	Rotatable_Bond_Count	2
5279171	Structure_Complexity	634
595	Hydrogen_Bond_Donor_Count	4
81827	Non-hydrogen_Atom_Count	8
115260	Total_Formal_Charge	0
5094384	Rotatable_Bond_Count	0
5218	Non-hydrogen_Atom_Count	31
54584751	Hydrogen_Bond_Acceptor_Count	7
90708518	Hydrogen_Bond_Donor_Count	1
78201192	Hydrogen_Bond_Acceptor_Count	2
12959020	Covalent_Unit_Count	1
26108	Covalent_Unit_Count	3
519415	Defined_Atom_Stereo_Count	0
53710320	TPSA	56.2
19768867	Rotatable_Bond_Count	0
78323	Exact_Mass	241.94577
90658124	Mono_Isotopic_Weight	1297.75736887
3085401	XLogP3	3.1
78228	Defined_Atom_Stereo_Count	0
83904778	Undefined_Atom_Stereo_Count	0
11106352	Rotatable_Bond_Count	0
56857	Undefined_Atom_Stereo_Count	0
3083655	Structure_Complexity	67.4
11048	Defined_Bond_Stereo_Count	0
5702698	Defined_Bond_Stereo_Count	3
5702073	Undefined_Atom_Stereo_Count	2
6620134	Mono_Isotopic_Weight	445.20015635
53803945	XLogP3-AA	3
5462471	Hydrogen_Bond_Donor_Count	6
57399125	Non-hydrogen_Atom_Count	29
175988	Defined_Atom_Stereo_Count	0
11715767	TPSA	57.8
117188816	Non-hydrogen_Atom_Count	8
6384	Undefined_Bond_Stereo_Count	0
53311	Undefined_Atom_Stereo_Count	0
3647	Structure_Complexity	578
16050932	Rotatable_Bond_Count	4
1551246	Non-hydrogen_Atom_Count	11
24180695	Molecular_Weight	209.24
49426	Rotatable_Bond_Count	8
130881	Covalent_Unit_Count	1
7001	Undefined_Atom_Stereo_Count	0
31209	Total_Formal_Charge	0
5368076	Mono_Isotopic_Weight	170.130679813
803776	TPSA	12.5
62706165	Hydrogen_Bond_Donor_Count	3
55212037	Total_Formal_Charge	0
25256833	Covalent_Unit_Count	1
139061810	Rotatable_Bond_Count	9
17804394	TPSA	25.8
163781	Defined_Bond_Stereo_Count	0
95162412	Defined_Bond_Stereo_Count	0
36933	Isotope_Atom_Count	0
12425308	Exact_Mass	116.047344113
9931954	Non-hydrogen_Atom_Count	24
91290078	Hydrogen_Bond_Acceptor_Count	1
70680969	Rotatable_Bond_Count	7
26041	Exact_Mass	315.931862
122903	Defined_Bond_Stereo_Count	0
63801	Hydrogen_Bond_Donor_Count	3
44419240	Undefined_Bond_Stereo_Count	0
6538985	Undefined_Bond_Stereo_Count	0
16052011	TPSA	533
54266224	Structure_Complexity	84.1
91931744	Isotope_Atom_Count	0
19876507	Isotope_Atom_Count	0
5940153	Structure_Complexity	270
93234	Defined_Bond_Stereo_Count	0
12557376	Structure_Complexity	42.8
11213	Isotope_Atom_Count	0
5047209	Structure_Complexity	0
13510025	XLogP3-AA	0
11643846	Exact_Mass	1201.84136802
1116	Defined_Atom_Stereo_Count	0
449343	Non-hydrogen_Atom_Count	10
12589332	Exact_Mass	98.084398327
6172	Exact_Mass	891.1769
5748845	Mono_Isotopic_Weight	522.11037280
15458	Molecular_Weight	128.17
5790	Hydrogen_Bond_Donor_Count	3
29982856	Molecular_Weight	342.30
4692	Molecular_Weight	248.32
8520	Non-hydrogen_Atom_Count	25
5486806	Defined_Atom_Stereo_Count	5
137967119	Undefined_Atom_Stereo_Count	4
2763750	Covalent_Unit_Count	1
6433412	Molecular_Weight	842.0
92023654	Exact_Mass	665.30474055
23369154	Total_Formal_Charge	0
58877	Tautomer_Count	1
3195	Hydrogen_Bond_Acceptor_Count	2
6040503	TPSA	35.5
115811143	Mono_Isotopic_Weight	110.073164938
10076625	Hydrogen_Bond_Donor_Count	2
59755609	Defined_Atom_Stereo_Count	0
21546968	Total_Formal_Charge	0
2724100	Undefined_Bond_Stereo_Count	0
6479653	Exact_Mass	1140.59812858
122	Structure_Complexity	301
97375	Rotatable_Bond_Count	1
2816578	Hydrogen_Bond_Acceptor_Count	5
10435	Hydrogen_Bond_Acceptor_Count	5
13037933	Total_Formal_Charge	0
11612445	Mono_Isotopic_Weight	467.14812078
57330419	Covalent_Unit_Count	1
59882246	Mono_Isotopic_Weight	111.068413911
9823887	Non-hydrogen_Atom_Count	30
42574	Tautomer_Count	79
77650	Hydrogen_Bond_Donor_Count	0
11571906	Hydrogen_Bond_Donor_Count	5
21188433	XLogP3-AA	0.4
146158974	Defined_Bond_Stereo_Count	0
11123757	Defined_Atom_Stereo_Count	0
9859692	Hydrogen_Bond_Donor_Count	1
9821945	Hydrogen_Bond_Acceptor_Count	4
12682028	Structure_Complexity	55.1
458645	TPSA	18.5
65987055	Exact_Mass	99.068413911
72401	Non-hydrogen_Atom_Count	30
18645875	Isotope_Atom_Count	0
139062042	Defined_Bond_Stereo_Count	0
89555	Hydrogen_Bond_Acceptor_Count	1
70060	Covalent_Unit_Count	1
9821849	Structure_Complexity	739
71309128	Non-hydrogen_Atom_Count	12
92131818	Hydrogen_Bond_Donor_Count	1
9837732	Hydrogen_Bond_Donor_Count	0
3844264	Undefined_Atom_Stereo_Count	0
121296846	Non-hydrogen_Atom_Count	8
24848267	TPSA	92.3
13992155	Hydrogen_Bond_Acceptor_Count	8
11837140	Exact_Mass	260.94488788
10308091	Molecular_Weight	254.29
69147	Total_Formal_Charge	0
4327536	Total_Formal_Charge	0
9841596	Covalent_Unit_Count	1
10047045	Rotatable_Bond_Count	11
498650	TPSA	32.6
148192	Exact_Mass	704.38974802
20654321	Undefined_Atom_Stereo_Count	2
5289535	Non-hydrogen_Atom_Count	55
257950	Isotope_Atom_Count	0
5207587	Structure_Complexity	6.1
4878	Molecular_Weight	301.77
135566455	Hydrogen_Bond_Acceptor_Count	7
33782	Structure_Complexity	415
2071	Undefined_Atom_Stereo_Count	1
62583	Rotatable_Bond_Count	3
68489225	Hydrogen_Bond_Acceptor_Count	6
5312	Structure_Complexity	183
67901	Mono_Isotopic_Weight	116.00851382
127030167	Undefined_Atom_Stereo_Count	0
101670359	Undefined_Bond_Stereo_Count	0
12441597	Exact_Mass	116.083729621
45480603	TPSA	158
13519	Total_Formal_Charge	0
11409972	Rotatable_Bond_Count	8
9570639	Covalent_Unit_Count	1
3042	TPSA	29.5
137955303	Mono_Isotopic_Weight	109.052763847
5256574	Molecular_Weight	152.25
5743186	Molecular_Weight	703.8
130122663	Structure_Complexity	163
62661	Molecular_Weight	178.27
145562	Non-hydrogen_Atom_Count	4
18126	Non-hydrogen_Atom_Count	9
10071747	Rotatable_Bond_Count	7
14511	Exact_Mass	110.073164938
101609	Undefined_Bond_Stereo_Count	0
2817	Mono_Isotopic_Weight	179.0137915
25913	TPSA	0
9961	Mono_Isotopic_Weight	124.03358575
10761920	Undefined_Atom_Stereo_Count	1
12510	Mono_Isotopic_Weight	237.90463
13597991	Undefined_Bond_Stereo_Count	0
26030	Isotope_Atom_Count	0
18363526	Defined_Atom_Stereo_Count	0
14822542	Structure_Complexity	457
32266	Structure_Complexity	477
27461	Hydrogen_Bond_Acceptor_Count	10
44135708	Mono_Isotopic_Weight	190.02420298
21549213	Mono_Isotopic_Weight	102.068079557
134688015	Hydrogen_Bond_Donor_Count	0
94222	Defined_Bond_Stereo_Count	0
136793	Mono_Isotopic_Weight	111.99828592
3034450	Non-hydrogen_Atom_Count	10
498459	Defined_Atom_Stereo_Count	0
93184	Defined_Bond_Stereo_Count	0
71533242	Mono_Isotopic_Weight	466.14751164
16719220	Defined_Bond_Stereo_Count	0
135402010	Covalent_Unit_Count	1
3926	Defined_Atom_Stereo_Count	0
375814	Isotope_Atom_Count	0
28080	Tautomer_Count	1
426	Tautomer_Count	2
3076	Structure_Complexity	565
40684	Isotope_Atom_Count	0
7832	Hydrogen_Bond_Donor_Count	0
439525	Non-hydrogen_Atom_Count	42
72200863	Defined_Atom_Stereo_Count	4
123653016	Undefined_Atom_Stereo_Count	0
14723649	Hydrogen_Bond_Donor_Count	0
139906410	Defined_Atom_Stereo_Count	0
81459	Hydrogen_Bond_Acceptor_Count	1
625469	TPSA	151
87187677	TPSA	20.2
78808	Defined_Bond_Stereo_Count	0
7612	Non-hydrogen_Atom_Count	5
701083	Molecular_Weight	349.3
15973	Defined_Atom_Stereo_Count	0
4	Non-hydrogen_Atom_Count	5
93221	Non-hydrogen_Atom_Count	51
84106834	Undefined_Atom_Stereo_Count	1
15559460	Undefined_Atom_Stereo_Count	5
501728	TPSA	235
32802	Total_Formal_Charge	0
15437	Total_Formal_Charge	0
2537	Hydrogen_Bond_Donor_Count	0
6490	Non-hydrogen_Atom_Count	15
66876120	Defined_Bond_Stereo_Count	0
20262	Non-hydrogen_Atom_Count	17
2762887	Exact_Mass	113.027691913
7431	Molecular_Weight	184.10
735950	XLogP3-AA	4.1
10814237	Undefined_Atom_Stereo_Count	0
20448611	Rotatable_Bond_Count	0
90894106	Hydrogen_Bond_Donor_Count	3
6604009	Structure_Complexity	523
12293	TPSA	26.3
108032	Covalent_Unit_Count	1
19017814	Rotatable_Bond_Count	2
13996773	Total_Formal_Charge	0
18755630	TPSA	9.2
16219944	Undefined_Atom_Stereo_Count	0
45257	Molecular_Weight	291.4
7907	Defined_Atom_Stereo_Count	0
71429557	Hydrogen_Bond_Donor_Count	1
72732196	Molecular_Weight	100.12
922	Hydrogen_Bond_Donor_Count	3
24453	Exact_Mass	67.9665070
743295	Non-hydrogen_Atom_Count	18
20298	Non-hydrogen_Atom_Count	24
447546	Non-hydrogen_Atom_Count	33
12381421	Exact_Mass	96.057514874
29510	Exact_Mass	167.0137915
6446980	Rotatable_Bond_Count	1
6327799	Non-hydrogen_Atom_Count	40
6501	Defined_Atom_Stereo_Count	0
153448834	Mono_Isotopic_Weight	284.16237386
516892	Structure_Complexity	33.9
56834574	Covalent_Unit_Count	1
9356	Tautomer_Count	1
10197625	Total_Formal_Charge	0
59844561	Isotope_Atom_Count	0
8752	Structure_Complexity	187
9090	Rotatable_Bond_Count	0
112042	TPSA	35.5
62371	Non-hydrogen_Atom_Count	19
14965861	Defined_Bond_Stereo_Count	0
3526102	Undefined_Atom_Stereo_Count	0
10324367	XLogP3-AA	3.1
123641140	Undefined_Atom_Stereo_Count	1
16760159	Tautomer_Count	3
54278701	XLogP3-AA	2.5
20494805	Hydrogen_Bond_Acceptor_Count	1
2775316	Hydrogen_Bond_Donor_Count	0
45116667	Isotope_Atom_Count	0
15533	Hydrogen_Bond_Acceptor_Count	3
123923638	TPSA	3
15614042	TPSA	89.5
233240	Molecular_Weight	162.15
91589	Total_Formal_Charge	0
22081700	Hydrogen_Bond_Donor_Count	1
12768403	Undefined_Bond_Stereo_Count	0
61420	Covalent_Unit_Count	1
3068367	Rotatable_Bond_Count	6
21263	Undefined_Atom_Stereo_Count	0
8005	TPSA	0
78486	Undefined_Bond_Stereo_Count	0
549876	Hydrogen_Bond_Acceptor_Count	1
23716436	Structure_Complexity	558
53687318	Hydrogen_Bond_Donor_Count	3
3821	Undefined_Bond_Stereo_Count	0
14351762	Defined_Atom_Stereo_Count	0
151446	Hydrogen_Bond_Donor_Count	5
5191	Covalent_Unit_Count	1
907178	Defined_Bond_Stereo_Count	0
81196	Mono_Isotopic_Weight	310.21440943
13856554	Hydrogen_Bond_Acceptor_Count	3
73200935	Rotatable_Bond_Count	0
8747	Hydrogen_Bond_Acceptor_Count	2
6649	Hydrogen_Bond_Donor_Count	4
71343993	TPSA	52.8
519793	Undefined_Atom_Stereo_Count	0
529331	Structure_Complexity	72.9
206876	Hydrogen_Bond_Donor_Count	1
28749	Tautomer_Count	2
135400183	XLogP3-AA	0.3
14897272	Exact_Mass	102.079312947
566685	Defined_Bond_Stereo_Count	0
68604	Molecular_Weight	401.5
84215	Total_Formal_Charge	0
134129158	TPSA	77.6
16217112	Isotope_Atom_Count	7
37464	Total_Formal_Charge	0
76716	Molecular_Weight	350.4
6426632	Molecular_Weight	345.27
12830097	Isotope_Atom_Count	0
51253	Hydrogen_Bond_Acceptor_Count	2
28459	Defined_Atom_Stereo_Count	0
207841	Defined_Atom_Stereo_Count	0
2135	Defined_Atom_Stereo_Count	0
141192121	Molecular_Weight	95.10
8875	Hydrogen_Bond_Acceptor_Count	5
89844	Undefined_Bond_Stereo_Count	0
58621611	Defined_Atom_Stereo_Count	0
155346	Exact_Mass	287.16337692
56949517	XLogP3-AA	4
130035	Total_Formal_Charge	0
9953	TPSA	83.6
101142583	Covalent_Unit_Count	1
116021439	Total_Formal_Charge	0
46886609	Isotope_Atom_Count	0
23712863	Exact_Mass	105.1426841
6623	Rotatable_Bond_Count	2
90476206	Molecular_Weight	314.24
135406870	XLogP3-AA	0.9
19082030	Undefined_Atom_Stereo_Count	0
5282375	Undefined_Bond_Stereo_Count	0
5311243	Tautomer_Count	1
53750884	Hydrogen_Bond_Acceptor_Count	1
79691	Isotope_Atom_Count	0
7498	Structure_Complexity	55.4
3540	Undefined_Atom_Stereo_Count	0
140920	Covalent_Unit_Count	1
25887	Defined_Bond_Stereo_Count	0
641768	Hydrogen_Bond_Donor_Count	1
9847164	Hydrogen_Bond_Acceptor_Count	5
20441	Mono_Isotopic_Weight	147.05315777
60478	Total_Formal_Charge	0
10035228	Tautomer_Count	1
11412777	Structure_Complexity	162
46848036	Undefined_Atom_Stereo_Count	0
65906	Defined_Atom_Stereo_Count	0
49853967	Structure_Complexity	617
17825297	Mono_Isotopic_Weight	110.109550447
12441598	Defined_Bond_Stereo_Count	0
6918852	Hydrogen_Bond_Donor_Count	2
65635	Hydrogen_Bond_Acceptor_Count	4
165337	TPSA	40.1
86367	Mono_Isotopic_Weight	225.126597491
24479	Structure_Complexity	2.8
3246605	XLogP3-AA	4.6
11290087	TPSA	57.5
439302	Mono_Isotopic_Weight	1006.43645793
22149470	Molecular_Weight	100.16
57227	Hydrogen_Bond_Acceptor_Count	2
19897050	Exact_Mass	114.068079557
20725980	Undefined_Bond_Stereo_Count	0
967126	Undefined_Atom_Stereo_Count	0
91161	Non-hydrogen_Atom_Count	16
124149361	Structure_Complexity	40.7
979919	Hydrogen_Bond_Donor_Count	2
5351247	Molecular_Weight	492.1
61012	Defined_Bond_Stereo_Count	0
10718	Rotatable_Bond_Count	3
21637412	Exact_Mass	410.24570956
60196321	Covalent_Unit_Count	2
12255457	Hydrogen_Bond_Donor_Count	0
436520	Structure_Complexity	175
44946	Hydrogen_Bond_Acceptor_Count	2
117715670	Hydrogen_Bond_Acceptor_Count	5
86252	Exact_Mass	294.1247389
85557	Mono_Isotopic_Weight	188.047344113
907	Structure_Complexity	170
8920	Mono_Isotopic_Weight	185.214349865
156588151	Isotope_Atom_Count	0
52949543	Undefined_Bond_Stereo_Count	0
94987	Tautomer_Count	1
58863022	Mono_Isotopic_Weight	342.11621151
139336513	Non-hydrogen_Atom_Count	8
119096639	Non-hydrogen_Atom_Count	8
5353439	Non-hydrogen_Atom_Count	43
145359725	Mono_Isotopic_Weight	101.047678466
123604326	Hydrogen_Bond_Acceptor_Count	1
8640	Molecular_Weight	143.18
2758875	XLogP3-AA	0.2
56659	TPSA	49.8
12823444	Rotatable_Bond_Count	1
156369283	Rotatable_Bond_Count	2
1027	Total_Formal_Charge	0
68203	Undefined_Atom_Stereo_Count	0
336	Total_Formal_Charge	0
13206344	Defined_Atom_Stereo_Count	0
60196348	Structure_Complexity	1010
3032279	Hydrogen_Bond_Acceptor_Count	7
20432232	Rotatable_Bond_Count	4
27287	Exact_Mass	622.155847
24916843	Structure_Complexity	989
10220851	TPSA	126
162236685	Mono_Isotopic_Weight	13.06234
30531	Non-hydrogen_Atom_Count	28
87747	Defined_Bond_Stereo_Count	0
5746387	Isotope_Atom_Count	0
11651149	Molecular_Weight	71.12
511	Rotatable_Bond_Count	10
136270342	Molecular_Weight	99.09
22174896	Hydrogen_Bond_Acceptor_Count	2
5280343	Hydrogen_Bond_Donor_Count	5
10958914	Isotope_Atom_Count	1
57394260	Total_Formal_Charge	0
12487261	Hydrogen_Bond_Donor_Count	1
9795	Isotope_Atom_Count	0
2734243	Molecular_Weight	340.29
132804	Isotope_Atom_Count	0
6917	Defined_Atom_Stereo_Count	0
410615	Isotope_Atom_Count	0
10197954	TPSA	110
105024	Isotope_Atom_Count	0
630355	Undefined_Atom_Stereo_Count	0
139134	Isotope_Atom_Count	0
11001318	Exact_Mass	306.9802985
1713001	Structure_Complexity	230
62737	Undefined_Bond_Stereo_Count	0
14462	Covalent_Unit_Count	1
50543	Molecular_Weight	100.16
521993	XLogP3-AA	0.5
7608	Defined_Atom_Stereo_Count	0
69610	Mono_Isotopic_Weight	99.98895804
129679806	Exact_Mass	116.047344113
31917	XLogP3-AA	2.2
487685	Defined_Bond_Stereo_Count	0
152119	XLogP3-AA	0.6
123543	Defined_Atom_Stereo_Count	0
785244	Hydrogen_Bond_Acceptor_Count	4
10898663	Structure_Complexity	55.7
141758021	Undefined_Atom_Stereo_Count	0
78438	Isotope_Atom_Count	0
7494	Exact_Mass	167.058243149
6422	Molecular_Weight	114.02
39976	Undefined_Atom_Stereo_Count	0
5282948	Isotope_Atom_Count	0
79081	Undefined_Atom_Stereo_Count	1
72760	Mono_Isotopic_Weight	254.10150494
220175	Hydrogen_Bond_Acceptor_Count	4
131668620	Hydrogen_Bond_Donor_Count	7
154109449	Hydrogen_Bond_Donor_Count	1
28315	Undefined_Atom_Stereo_Count	0
8427	Mono_Isotopic_Weight	233.9850495
27941	Undefined_Bond_Stereo_Count	0
513917	Molecular_Weight	256.21
52987927	Covalent_Unit_Count	1
10898660	Rotatable_Bond_Count	1
246206	Non-hydrogen_Atom_Count	21
7766	Exact_Mass	118.062994177
11263727	Defined_Atom_Stereo_Count	4
87586559	Structure_Complexity	137
170759	Covalent_Unit_Count	1
17162	Defined_Atom_Stereo_Count	0
50624	Mono_Isotopic_Weight	627.99152019
15956520	Hydrogen_Bond_Acceptor_Count	9
5364420	XLogP3-AA	6.9
54428	Isotope_Atom_Count	0
29498	Hydrogen_Bond_Acceptor_Count	3
53957140	Defined_Bond_Stereo_Count	0
1585857	Isotope_Atom_Count	0
847313	Mono_Isotopic_Weight	296.09431156
12629	Molecular_Weight	416.5
49866524	Rotatable_Bond_Count	2
135983	Total_Formal_Charge	0
9939594	Defined_Atom_Stereo_Count	5
489518	TPSA	99.1
160801313	Exact_Mass	112.052429494
71578106	Covalent_Unit_Count	1
4577573	Defined_Atom_Stereo_Count	0
9018	Hydrogen_Bond_Donor_Count	1
4895	Covalent_Unit_Count	1
529209	Structure_Complexity	84.2
841083	Mono_Isotopic_Weight	250.0509053
10025615	TPSA	40.5
24965	Covalent_Unit_Count	2
26923	Undefined_Bond_Stereo_Count	0
13694931	Covalent_Unit_Count	1
533920	Mono_Isotopic_Weight	99.068413911
21187528	Rotatable_Bond_Count	1
5311176	Mono_Isotopic_Weight	450.2146166
153751	Undefined_Atom_Stereo_Count	0
8193	Hydrogen_Bond_Donor_Count	1
5702073	Non-hydrogen_Atom_Count	25
44563145	Non-hydrogen_Atom_Count	28
129681809	Structure_Complexity	225
160796	Exact_Mass	295.0894550
54725318	Tautomer_Count	8
72849	Molecular_Weight	307.2
119069	Defined_Bond_Stereo_Count	0
11953931	Undefined_Atom_Stereo_Count	1
853433	Non-hydrogen_Atom_Count	12
79000	Non-hydrogen_Atom_Count	8
44285029	Rotatable_Bond_Count	1
14231	Non-hydrogen_Atom_Count	10
662877	TPSA	75.6
5360881	Hydrogen_Bond_Donor_Count	2
194338	Covalent_Unit_Count	1
529212	Isotope_Atom_Count	0
3326	Non-hydrogen_Atom_Count	28
15466	Non-hydrogen_Atom_Count	10
14236864	Defined_Bond_Stereo_Count	0
557678	Defined_Bond_Stereo_Count	0
6708701	Undefined_Atom_Stereo_Count	2
2203	Defined_Atom_Stereo_Count	0
17309	TPSA	3.9
190217	Hydrogen_Bond_Donor_Count	0
2775510	Defined_Bond_Stereo_Count	0
652019	Undefined_Atom_Stereo_Count	1
15643399	Molecular_Weight	98.19
20587	Mono_Isotopic_Weight	187.157228913
16132413	Defined_Bond_Stereo_Count	0
5281565	Defined_Atom_Stereo_Count	1
165995893	Covalent_Unit_Count	1
709	Exact_Mass	194.05790880
44308032	Covalent_Unit_Count	1
42623223	Structure_Complexity	543
2724564	Structure_Complexity	96.6
68739127	Total_Formal_Charge	0
57123584	Mono_Isotopic_Weight	113.047678466
2817255	Structure_Complexity	458
89738	Undefined_Atom_Stereo_Count	0
5288223	Exact_Mass	176.03813935
23276	Hydrogen_Bond_Donor_Count	1
99486	Covalent_Unit_Count	1
53835225	Undefined_Atom_Stereo_Count	2
44392111	Undefined_Bond_Stereo_Count	0
57401194	Undefined_Bond_Stereo_Count	0
66913	Exact_Mass	196.109944368
9539	Defined_Atom_Stereo_Count	0
6538983	Covalent_Unit_Count	1
86488	Hydrogen_Bond_Donor_Count	2
5282164	Hydrogen_Bond_Donor_Count	1
11541511	Molecular_Weight	576.7
19150	Exact_Mass	405.09945651
948954	Covalent_Unit_Count	1
86007746	Hydrogen_Bond_Donor_Count	0
143355419	Structure_Complexity	98.3
96309	Non-hydrogen_Atom_Count	14
54581775	Structure_Complexity	488
60651	Covalent_Unit_Count	1
79875564	Covalent_Unit_Count	1
81638	Undefined_Atom_Stereo_Count	0
69813	Covalent_Unit_Count	1
11675994	Exact_Mass	413.19485467
6918096	Isotope_Atom_Count	0
220338	Defined_Atom_Stereo_Count	5
2349	Defined_Atom_Stereo_Count	0
141276996	Hydrogen_Bond_Donor_Count	1
41505	Isotope_Atom_Count	0
242082	Mono_Isotopic_Weight	98.036779430
23702658	Total_Formal_Charge	0
71311162	Defined_Bond_Stereo_Count	0
29112	Mono_Isotopic_Weight	417.25152322
9909392	TPSA	83.8
2334	Undefined_Atom_Stereo_Count	0
50222	Molecular_Weight	432.5
12386	Hydrogen_Bond_Acceptor_Count	2
20137	Total_Formal_Charge	0
3084091	Defined_Atom_Stereo_Count	12
129716995	Structure_Complexity	388
7462	Exact_Mass	136.125200510
16351	Non-hydrogen_Atom_Count	23
54307121	Rotatable_Bond_Count	2
4748	XLogP3	4.2
17275	Hydrogen_Bond_Acceptor_Count	2
3246941	Isotope_Atom_Count	0
44443938	Mono_Isotopic_Weight	510.16609434
79037	Mono_Isotopic_Weight	125.120449483
521807	Undefined_Bond_Stereo_Count	0
10080906	Tautomer_Count	1
3292	Undefined_Atom_Stereo_Count	1
69885	XLogP3-AA	3
61489	Hydrogen_Bond_Acceptor_Count	8
542567	Molecular_Weight	181.15
44395035	Undefined_Bond_Stereo_Count	0
42620929	Structure_Complexity	1220
6328200	Tautomer_Count	1
5259916	Molecular_Weight	114.10
53811889	XLogP3-AA	0
53262295	Covalent_Unit_Count	2
898	Exact_Mass	301.05626809
20504	Total_Formal_Charge	0
62881	Total_Formal_Charge	0
5454	TPSA	77.5
9577	Total_Formal_Charge	0
16219744	Defined_Atom_Stereo_Count	0
2723816	Mono_Isotopic_Weight	96.01872368
75498	Defined_Bond_Stereo_Count	0
77611871	Mono_Isotopic_Weight	111.068413911
7842	Mono_Isotopic_Weight	117.94181
123134270	Undefined_Bond_Stereo_Count	0
180089	XLogP3-AA	4.8
13070698	Structure_Complexity	53.6
18506396	Isotope_Atom_Count	0
155925852	Total_Formal_Charge	0
21942008	Undefined_Bond_Stereo_Count	0
479930	Non-hydrogen_Atom_Count	31
2443	Exact_Mass	653.22128
45084984	Molecular_Weight	110.15
647893	Hydrogen_Bond_Donor_Count	0
21676144	Hydrogen_Bond_Donor_Count	1
2733224	Non-hydrogen_Atom_Count	7
45345	Rotatable_Bond_Count	10
13017912	Mono_Isotopic_Weight	560.27338086
580104	Tautomer_Count	3
53747824	Hydrogen_Bond_Acceptor_Count	2
84921	Exact_Mass	129.115364102
25202592	Exact_Mass	129.078978594
24309	Defined_Bond_Stereo_Count	0
25021359	Defined_Atom_Stereo_Count	2
87237616	Mono_Isotopic_Weight	836.79854718
17787659	Total_Formal_Charge	0
151746651	Undefined_Atom_Stereo_Count	0
141981618	Undefined_Atom_Stereo_Count	6
22386380	Hydrogen_Bond_Donor_Count	1
5895404	Tautomer_Count	52
25015694	Undefined_Bond_Stereo_Count	0
3083444	Hydrogen_Bond_Acceptor_Count	49
15036	Molecular_Weight	100.16
24853	Undefined_Atom_Stereo_Count	0
86233	Non-hydrogen_Atom_Count	22
6566	Structure_Complexity	22.9
5281758	Rotatable_Bond_Count	4
156619056	Hydrogen_Bond_Acceptor_Count	11
16739648	Non-hydrogen_Atom_Count	24
37901	Structure_Complexity	520
83891	Undefined_Bond_Stereo_Count	0
24868267	Undefined_Bond_Stereo_Count	0
89769286	Hydrogen_Bond_Acceptor_Count	2
9548634	Covalent_Unit_Count	1
450349	Structure_Complexity	31
123597800	Covalent_Unit_Count	1
12468302	TPSA	36.3
74442	Defined_Bond_Stereo_Count	0
10220851	Total_Formal_Charge	0
135550179	TPSA	220
77014	XLogP3	1.1
53319813	Hydrogen_Bond_Donor_Count	2
11870469	Non-hydrogen_Atom_Count	22
51971	Molecular_Weight	284.4
56556	Rotatable_Bond_Count	6
88959077	Structure_Complexity	122
55248	Exact_Mass	348.11437830
12492	Isotope_Atom_Count	0
4713	Tautomer_Count	5
22288608	Mono_Isotopic_Weight	106.053098200
14228	Undefined_Atom_Stereo_Count	0
6436223	Defined_Bond_Stereo_Count	4
18713001	Mono_Isotopic_Weight	99.104799419
13019092	Non-hydrogen_Atom_Count	6
58373	Undefined_Bond_Stereo_Count	0
68602320	Non-hydrogen_Atom_Count	8
16657	Exact_Mass	98.109550447
71587897	Non-hydrogen_Atom_Count	37
129681963	Exact_Mass	269.0486528
16122612	TPSA	17
99828	Molecular_Weight	236.3
12219859	XLogP3-AA	1.2
439739	Molecular_Weight	346.5
98136	Hydrogen_Bond_Donor_Count	1
17038	Defined_Bond_Stereo_Count	0
605877	Non-hydrogen_Atom_Count	19
25133381	Hydrogen_Bond_Acceptor_Count	5
146719	Defined_Bond_Stereo_Count	0
17912027	Hydrogen_Bond_Donor_Count	1
54475	Tautomer_Count	5
72050	Undefined_Bond_Stereo_Count	0
46201499	Non-hydrogen_Atom_Count	11
2833	TPSA	83.1
45116605	Mono_Isotopic_Weight	100.100048391
71511839	Exact_Mass	1047.52906996
1639804	Isotope_Atom_Count	0
12634652	Molecular_Weight	80.13
21325321	Rotatable_Bond_Count	2
314787	Undefined_Atom_Stereo_Count	0
9832447	Molecular_Weight	502.6
5459796	Undefined_Atom_Stereo_Count	0
3000391	Rotatable_Bond_Count	0
25162932	TPSA	8.8
7413	Isotope_Atom_Count	0
16114800	Hydrogen_Bond_Donor_Count	4
164543616	Structure_Complexity	114
59704100	Undefined_Bond_Stereo_Count	0
61067	Exact_Mass	116.083729621
5818	Undefined_Atom_Stereo_Count	0
88740	Hydrogen_Bond_Acceptor_Count	7
6925666	Structure_Complexity	271
166931	Covalent_Unit_Count	1
69452237	Isotope_Atom_Count	0
5378293	Isotope_Atom_Count	0
16351	Mono_Isotopic_Weight	343.0909965
22979	Total_Formal_Charge	0
527633	Exact_Mass	117.078978594
70688569	Rotatable_Bond_Count	4
6101956	Hydrogen_Bond_Donor_Count	1
11539562	Mono_Isotopic_Weight	445.11618739
534838	Undefined_Bond_Stereo_Count	1
158698	Hydrogen_Bond_Donor_Count	1
10258659	Rotatable_Bond_Count	7
135873450	Molecular_Weight	520.16
53861228	Structure_Complexity	61.2
10857465	Non-hydrogen_Atom_Count	17
4713	Undefined_Atom_Stereo_Count	0
579338	Non-hydrogen_Atom_Count	9
66604	Mono_Isotopic_Weight	207.9330139
135513267	Undefined_Bond_Stereo_Count	0
347476	XLogP3-AA	0.9
470396	XLogP3-AA	3.7
71382907	Hydrogen_Bond_Donor_Count	1
26898	Covalent_Unit_Count	1
134056	Molecular_Weight	298.4
60702	TPSA	48.1
101094784	Non-hydrogen_Atom_Count	28
2114	Defined_Atom_Stereo_Count	0
165359778	Defined_Bond_Stereo_Count	2
5280483	Tautomer_Count	27
2690	Undefined_Atom_Stereo_Count	0
44137674	Rotatable_Bond_Count	7
9903930	Undefined_Atom_Stereo_Count	0
135471308	Undefined_Bond_Stereo_Count	0
688303	Structure_Complexity	388
198231	Rotatable_Bond_Count	3
152306	Isotope_Atom_Count	0
21542775	TPSA	45.7
18352756	Covalent_Unit_Count	1
20649100	Isotope_Atom_Count	0
5362391	TPSA	71.8
12256	Defined_Bond_Stereo_Count	0
13031980	Undefined_Bond_Stereo_Count	0
7943	Isotope_Atom_Count	0
969108	Undefined_Bond_Stereo_Count	0
48103	Mono_Isotopic_Weight	295.1105844
6445786	Undefined_Atom_Stereo_Count	2
5282367	TPSA	34.1
4092	Undefined_Atom_Stereo_Count	1
67278	Structure_Complexity	187
21312986	Mono_Isotopic_Weight	112.063662883
135476770	Defined_Bond_Stereo_Count	0
5311064	Hydrogen_Bond_Acceptor_Count	5
28037	Undefined_Atom_Stereo_Count	0
129627734	Defined_Atom_Stereo_Count	17
9802	Rotatable_Bond_Count	2
6326	Undefined_Atom_Stereo_Count	0
557021	Tautomer_Count	1
453214	Isotope_Atom_Count	0
33721	Defined_Bond_Stereo_Count	0
216466	Isotope_Atom_Count	0
1640	Hydrogen_Bond_Acceptor_Count	2
56738	Hydrogen_Bond_Acceptor_Count	4
7772	Hydrogen_Bond_Donor_Count	0
222073	TPSA	26.3
521459	Mono_Isotopic_Weight	49.0078250319
54234173	Undefined_Atom_Stereo_Count	0
79502	Defined_Bond_Stereo_Count	0
86805	Isotope_Atom_Count	0
3573	Undefined_Atom_Stereo_Count	12
24755480	Undefined_Atom_Stereo_Count	0
2763760	Molecular_Weight	149.19
3037206	Undefined_Bond_Stereo_Count	0
57054	TPSA	251
105426980	Covalent_Unit_Count	1
3446	Defined_Atom_Stereo_Count	0
126456023	Hydrogen_Bond_Acceptor_Count	3
6432906	Defined_Atom_Stereo_Count	0
53807546	Isotope_Atom_Count	0
11815284	TPSA	21.3
65815658	Total_Formal_Charge	0
91845299	Undefined_Atom_Stereo_Count	0
12096747	Mono_Isotopic_Weight	655.41562841
53323739	Hydrogen_Bond_Acceptor_Count	4
137118	Molecular_Weight	96.17
676493	Rotatable_Bond_Count	0
155032	Rotatable_Bond_Count	8
126969054	Mono_Isotopic_Weight	422.36670574
72786882	Structure_Complexity	395
9865442	Exact_Mass	394.1547017
129628181	Structure_Complexity	2340
94317	Hydrogen_Bond_Donor_Count	0
6918580	Undefined_Atom_Stereo_Count	2
60195812	Molecular_Weight	325.4
11344211	XLogP3-AA	3.3
70698172	Covalent_Unit_Count	1
4378	Hydrogen_Bond_Acceptor_Count	3
9922708	Structure_Complexity	360
12488467	Undefined_Bond_Stereo_Count	0
86435	Isotope_Atom_Count	0
87905	Non-hydrogen_Atom_Count	32
5199223	Molecular_Weight	279.42
22108	Defined_Bond_Stereo_Count	0
4909	Mono_Isotopic_Weight	218.105527694
443874	Rotatable_Bond_Count	11
3271820	Defined_Bond_Stereo_Count	0
6432469	Undefined_Bond_Stereo_Count	0
11692123	Hydrogen_Bond_Acceptor_Count	8
59390227	Isotope_Atom_Count	0
123314224	Isotope_Atom_Count	0
62232962	TPSA	26.3
34991	Non-hydrogen_Atom_Count	20
53316418	Mono_Isotopic_Weight	384.99109039
102059894	Defined_Bond_Stereo_Count	1
76007601	Undefined_Atom_Stereo_Count	6
15446403	Exact_Mass	96.057514874
116225458	Covalent_Unit_Count	1
71300392	Hydrogen_Bond_Donor_Count	0
9799	Covalent_Unit_Count	1
16132954	Defined_Atom_Stereo_Count	0
99049	Total_Formal_Charge	0
644073	Molecular_Weight	467.6
53682689	Molecular_Weight	98.14
323180	Mono_Isotopic_Weight	110.059246208
52943962	Undefined_Bond_Stereo_Count	0
3824	Covalent_Unit_Count	1
104149	Molecular_Weight	311.48
67214459	Defined_Bond_Stereo_Count	0
71356052	Covalent_Unit_Count	1
69341468	Undefined_Bond_Stereo_Count	0
89482	Undefined_Atom_Stereo_Count	2
9887304	Hydrogen_Bond_Acceptor_Count	4
9427	Rotatable_Bond_Count	2
302	Hydrogen_Bond_Acceptor_Count	5
5193	Mono_Isotopic_Weight	238.13174244
13198341	Hydrogen_Bond_Donor_Count	3
162651	Exact_Mass	79.9377699
68135832	Undefined_Atom_Stereo_Count	0
5702161	TPSA	93
86389	Defined_Bond_Stereo_Count	0
11574638	Defined_Atom_Stereo_Count	0
1645	Hydrogen_Bond_Donor_Count	2
121493662	Defined_Bond_Stereo_Count	1
69162577	Hydrogen_Bond_Acceptor_Count	3
274426	Mono_Isotopic_Weight	110.073164938
609	Rotatable_Bond_Count	3
13000141	XLogP3	2.1
13641	Hydrogen_Bond_Acceptor_Count	4
21798	Exact_Mass	270.10044231
71517698	Mono_Isotopic_Weight	475.12133477
11543205	Undefined_Bond_Stereo_Count	0
22386168	Rotatable_Bond_Count	2
148022	XLogP3-AA	0.2
85705001	Defined_Atom_Stereo_Count	0
12491609	Exact_Mass	112.088815002
6992111	Non-hydrogen_Atom_Count	11
33630	Defined_Bond_Stereo_Count	0
11970261	Covalent_Unit_Count	3
1778	Rotatable_Bond_Count	14
53316379	Defined_Bond_Stereo_Count	0
54580844	Isotope_Atom_Count	0
448812	Tautomer_Count	1000
2465	Hydrogen_Bond_Donor_Count	2
73797127	Undefined_Bond_Stereo_Count	0
122236791	Covalent_Unit_Count	2
108835	Defined_Atom_Stereo_Count	0
40466968	Defined_Atom_Stereo_Count	1
7058062	Total_Formal_Charge	0
6438331	Hydrogen_Bond_Acceptor_Count	7
91493	Exact_Mass	276.02463360
535795	Hydrogen_Bond_Acceptor_Count	7
16073666	XLogP3-AA	4.8
6620134	Structure_Complexity	702
71402	Covalent_Unit_Count	1
67923265	Hydrogen_Bond_Donor_Count	1
21914607	Defined_Bond_Stereo_Count	0
4320774	Undefined_Bond_Stereo_Count	0
44570851	Isotope_Atom_Count	0
118669896	Molecular_Weight	112.17
241027	Molecular_Weight	139.19
156071492	Hydrogen_Bond_Acceptor_Count	1
25058183	Defined_Atom_Stereo_Count	0
9470	Hydrogen_Bond_Donor_Count	2
11235728	Molecular_Weight	429.4
12103	Isotope_Atom_Count	0
66673773	Molecular_Weight	114.08
9862176	Tautomer_Count	1
135920972	Defined_Bond_Stereo_Count	0
91996283	Covalent_Unit_Count	3
16722126	Total_Formal_Charge	0
101666842	Undefined_Bond_Stereo_Count	0
12480949	Rotatable_Bond_Count	0
287755	Hydrogen_Bond_Donor_Count	0
1921	Hydrogen_Bond_Donor_Count	1
22843	Defined_Bond_Stereo_Count	0
72571	Mono_Isotopic_Weight	484.16343649
429095	TPSA	26.3
78126908	Undefined_Atom_Stereo_Count	9
9801465	Molecular_Weight	406.6
11669726	Hydrogen_Bond_Acceptor_Count	6
130443213	Covalent_Unit_Count	1
6530	Defined_Atom_Stereo_Count	0
6741	Undefined_Atom_Stereo_Count	0
1501888	Undefined_Bond_Stereo_Count	0
95700	Undefined_Bond_Stereo_Count	0
9864353	Defined_Atom_Stereo_Count	0
71057888	TPSA	246
54487968	Non-hydrogen_Atom_Count	8
11652923	XLogP3-AA	2.7
5702044	TPSA	340
21854522	Undefined_Atom_Stereo_Count	0
11234806	TPSA	84.1
12576155	TPSA	63.7
44338784	XLogP3-AA	3.1
10448938	Rotatable_Bond_Count	4
256539	Covalent_Unit_Count	1
4034	Undefined_Bond_Stereo_Count	0
584645	Molecular_Weight	302.3
31912	Hydrogen_Bond_Donor_Count	2
14195541	Mono_Isotopic_Weight	98.073164938
71268957	Rotatable_Bond_Count	8
22525209	Molecular_Weight	812.0
11305985	Isotope_Atom_Count	0
135398515	Hydrogen_Bond_Donor_Count	1
9823454	Undefined_Bond_Stereo_Count	0
139348436	Covalent_Unit_Count	1
25005580	Rotatable_Bond_Count	7
56339	Total_Formal_Charge	0
5353584	Defined_Atom_Stereo_Count	0
18338555	Molecular_Weight	126.18
60201265	Hydrogen_Bond_Donor_Count	2
118701038	Structure_Complexity	481
57714	Structure_Complexity	324
69462056	Rotatable_Bond_Count	0
43231	Structure_Complexity	604
4369233	Non-hydrogen_Atom_Count	18
19809513	Structure_Complexity	104
19935257	Non-hydrogen_Atom_Count	7
10201696	Rotatable_Bond_Count	7
55278707	Undefined_Bond_Stereo_Count	0
20653386	Molecular_Weight	108.14
10953595	Structure_Complexity	146
656732	Defined_Atom_Stereo_Count	0
91847008	Covalent_Unit_Count	1
45120480	Isotope_Atom_Count	0
52731	Rotatable_Bond_Count	8
91041862	XLogP3-AA	3.4
5324054	Total_Formal_Charge	0
12892785	Structure_Complexity	101
5282448	Molecular_Weight	1508.3
60768	Undefined_Atom_Stereo_Count	0
5289388	Isotope_Atom_Count	0
6331075	Structure_Complexity	508
66545	Mono_Isotopic_Weight	238.04121336
7566642	Mono_Isotopic_Weight	72.081324323
5284537	Undefined_Atom_Stereo_Count	0
7870	XLogP3-AA	0.3
91358778	Hydrogen_Bond_Acceptor_Count	0
16683091	Tautomer_Count	1
2724883	TPSA	63.3
5289159	Mono_Isotopic_Weight	305.13237409
9568512	Mono_Isotopic_Weight	236.07318219
3706	XLogP3-AA	2.8
5086	Total_Formal_Charge	0
101535535	Hydrogen_Bond_Donor_Count	1
24899382	Covalent_Unit_Count	1
4996	Undefined_Atom_Stereo_Count	0
5459377	Defined_Bond_Stereo_Count	0
60137	Isotope_Atom_Count	0
5351560	Exact_Mass	1182.50943272
17961316	Isotope_Atom_Count	0
43471	XLogP3-AA	1.5
78406	Non-hydrogen_Atom_Count	21
53315139	Defined_Atom_Stereo_Count	10
75389	Undefined_Atom_Stereo_Count	0
22873	Defined_Atom_Stereo_Count	0
67832	Mono_Isotopic_Weight	202.00287536
135455579	Hydrogen_Bond_Acceptor_Count	2
57892450	Non-hydrogen_Atom_Count	6
3037161	TPSA	44.5
520682	Mono_Isotopic_Weight	120.06088618
5311066	Tautomer_Count	9
448222	Molecular_Weight	308.29
80790	Undefined_Atom_Stereo_Count	0
156156900	Undefined_Bond_Stereo_Count	0
11007917	Rotatable_Bond_Count	5
85335	Tautomer_Count	1
117791079	Defined_Atom_Stereo_Count	0
15561473	Hydrogen_Bond_Donor_Count	2
1096	Covalent_Unit_Count	2
156417	Rotatable_Bond_Count	8
48889	Total_Formal_Charge	0
44560807	Defined_Bond_Stereo_Count	0
61249	Total_Formal_Charge	0
63079	Undefined_Atom_Stereo_Count	0
23676225	Tautomer_Count	2
12933432	Covalent_Unit_Count	1
150679	Mono_Isotopic_Weight	270.08652358
3058737	Exact_Mass	549.20459028
135423771	Rotatable_Bond_Count	2
57557625	XLogP3-AA	4
98032	Non-hydrogen_Atom_Count	18
15801221	Undefined_Atom_Stereo_Count	0
15538	Total_Formal_Charge	0
65874	Tautomer_Count	5
28690	Isotope_Atom_Count	0
125462886	Defined_Atom_Stereo_Count	19
11009533	Tautomer_Count	1
45484139	Covalent_Unit_Count	1
71409757	Total_Formal_Charge	0
412781	Hydrogen_Bond_Acceptor_Count	4
87168	Exact_Mass	590.35135639
68583882	Hydrogen_Bond_Acceptor_Count	2
23525700	Hydrogen_Bond_Donor_Count	1
3038497	Structure_Complexity	285
123248	Tautomer_Count	3
227244	Defined_Atom_Stereo_Count	0
32249	Undefined_Atom_Stereo_Count	0
124904106	Exact_Mass	342.11621151
108059	Undefined_Atom_Stereo_Count	0
14808025	Non-hydrogen_Atom_Count	7
28397	Non-hydrogen_Atom_Count	23
80782	Defined_Atom_Stereo_Count	0
93896	Structure_Complexity	219
16097	Structure_Complexity	223
94830	Isotope_Atom_Count	0
46398810	Hydrogen_Bond_Donor_Count	1
8010	Non-hydrogen_Atom_Count	5
159652940	XLogP3-AA	0.1
22420437	Hydrogen_Bond_Acceptor_Count	1
9881504	Tautomer_Count	2
21692550	Mono_Isotopic_Weight	83.073499291
18622366	Undefined_Bond_Stereo_Count	0
27668	Hydrogen_Bond_Donor_Count	0
68191	TPSA	0
165367979	Hydrogen_Bond_Donor_Count	12
126970648	Total_Formal_Charge	0
85254	Hydrogen_Bond_Donor_Count	1
129407	Molecular_Weight	501.8
37109	Mono_Isotopic_Weight	100.088815002
34624	Hydrogen_Bond_Donor_Count	0
44629714	Hydrogen_Bond_Donor_Count	5
171018	Exact_Mass	214.9985354
124602261	XLogP3-AA	1.5
44814423	Hydrogen_Bond_Donor_Count	4
497266	Non-hydrogen_Atom_Count	20
5319404	Covalent_Unit_Count	1
446563	Undefined_Bond_Stereo_Count	0
1647	Defined_Bond_Stereo_Count	0
3086674	Undefined_Atom_Stereo_Count	0
24352	Undefined_Bond_Stereo_Count	0
59169	Hydrogen_Bond_Acceptor_Count	2
77990	Molecular_Weight	400.4
14022517	TPSA	98.4
9823	Isotope_Atom_Count	0
21661222	Molecular_Weight	117.10
3531736	Defined_Bond_Stereo_Count	0
129319344	Hydrogen_Bond_Acceptor_Count	2
443100	Exact_Mass	453.1700346
23564147	Exact_Mass	112.088815002
499953	Isotope_Atom_Count	0
871	Exact_Mass	504.16903493
4636	Hydrogen_Bond_Acceptor_Count	2
134735	Undefined_Atom_Stereo_Count	0
9215	Mono_Isotopic_Weight	179.073499291
24815904	Rotatable_Bond_Count	5
20429	Molecular_Weight	86.09
123744867	Rotatable_Bond_Count	3
10219416	Structure_Complexity	100
58055	Total_Formal_Charge	0
6319	Molecular_Weight	260.3
6610292	Structure_Complexity	568
10466286	Mono_Isotopic_Weight	227.04048508
54545615	Covalent_Unit_Count	1
44571915	Undefined_Bond_Stereo_Count	0
10103139	Exact_Mass	113.058911855
14517	Hydrogen_Bond_Donor_Count	0
79161	Undefined_Atom_Stereo_Count	0
152807	Undefined_Bond_Stereo_Count	0
520305	Molecular_Weight	113.18
15702065	TPSA	37.3
23926	Defined_Bond_Stereo_Count	0
2733352	Exact_Mass	150.0086696
20323899	Defined_Atom_Stereo_Count	0
19700	Total_Formal_Charge	0
135423770	Total_Formal_Charge	0
10953434	Defined_Bond_Stereo_Count	0
6436541	Hydrogen_Bond_Acceptor_Count	4
37499	TPSA	0
86640	Non-hydrogen_Atom_Count	13
3643	Structure_Complexity	908
4206	Rotatable_Bond_Count	13
9800	Defined_Bond_Stereo_Count	0
13927379	Undefined_Bond_Stereo_Count	0
235269	XLogP3-AA	2.2
60196327	Isotope_Atom_Count	0
7190	TPSA	37.3
456718	Non-hydrogen_Atom_Count	20
23672566	Molecular_Weight	477.5
4369579	Hydrogen_Bond_Donor_Count	4
26462	TPSA	29.5
10895	Covalent_Unit_Count	1
66025	TPSA	49.3
13396127	Molecular_Weight	100.16
83967	Mono_Isotopic_Weight	312.07799279
234818	Total_Formal_Charge	0
8573	XLogP3-AA	2.5
130035834	Structure_Complexity	80.1
616632	Isotope_Atom_Count	0
8111	Isotope_Atom_Count	0
135409548	Molecular_Weight	327.29
626732	Undefined_Atom_Stereo_Count	3
19017820	Total_Formal_Charge	0
24711867	Isotope_Atom_Count	0
54350	Total_Formal_Charge	0
2752445	Non-hydrogen_Atom_Count	7
19049960	Non-hydrogen_Atom_Count	7
82650946	Hydrogen_Bond_Acceptor_Count	3
22015773	Undefined_Atom_Stereo_Count	0
62334	Rotatable_Bond_Count	3
139692	Non-hydrogen_Atom_Count	7
9964065	Defined_Atom_Stereo_Count	0
4471892	Covalent_Unit_Count	1
6433115	Covalent_Unit_Count	1
372267	Non-hydrogen_Atom_Count	20
82703	Rotatable_Bond_Count	1
123892631	Undefined_Atom_Stereo_Count	1
174048	Defined_Atom_Stereo_Count	0
22833307	Covalent_Unit_Count	1
18321713	Isotope_Atom_Count	0
5710148	Tautomer_Count	1
196445	Molecular_Weight	298.36
135968625	Mono_Isotopic_Weight	876.45207349
99816	Defined_Atom_Stereo_Count	0
10109823	Structure_Complexity	522
53627587	Hydrogen_Bond_Donor_Count	0
44298771	Molecular_Weight	1112.4
57401194	Molecular_Weight	420.6
3016390	Hydrogen_Bond_Donor_Count	2
9886286	Rotatable_Bond_Count	6
6438394	Undefined_Bond_Stereo_Count	0
3037565	Exact_Mass	322.25079494
12132	Defined_Atom_Stereo_Count	0
12732	Molecular_Weight	82.14
5144	Molecular_Weight	162.18
4983738	Isotope_Atom_Count	0
441350	Rotatable_Bond_Count	3
11755113	Hydrogen_Bond_Acceptor_Count	10
61199	Mono_Isotopic_Weight	142.062994177
57390867	Structure_Complexity	731
13183276	Covalent_Unit_Count	1
12655091	Mono_Isotopic_Weight	118.062994177
5608	Rotatable_Bond_Count	22
71306319	TPSA	452
1999	Defined_Bond_Stereo_Count	0
11251522	Undefined_Bond_Stereo_Count	0
70498808	Non-hydrogen_Atom_Count	7
466	Non-hydrogen_Atom_Count	16
55289386	Hydrogen_Bond_Donor_Count	1
12300404	XLogP3-AA	0.9
2777182	Hydrogen_Bond_Donor_Count	2
89162	Rotatable_Bond_Count	10
70413	Tautomer_Count	1
18635	Rotatable_Bond_Count	3
237041	Undefined_Atom_Stereo_Count	0
21864093	TPSA	69.4
88558	Undefined_Bond_Stereo_Count	0
59227	Hydrogen_Bond_Donor_Count	1
30951	Exact_Mass	226.0396719
2723951	Defined_Atom_Stereo_Count	0
64715	Tautomer_Count	2
21750168	Mono_Isotopic_Weight	128.047344113
12477	Structure_Complexity	159
53993017	Undefined_Bond_Stereo_Count	0
27244	Structure_Complexity	269
523547	Structure_Complexity	179
58028426	Total_Formal_Charge	0
51629	Isotope_Atom_Count	0
42525	Undefined_Bond_Stereo_Count	0
77160509	Non-hydrogen_Atom_Count	6
3799953	Defined_Atom_Stereo_Count	0
54125476	Molecular_Weight	116.11
13524524	Isotope_Atom_Count	0
413547	Rotatable_Bond_Count	5
449085	Tautomer_Count	1
12344797	Total_Formal_Charge	0
14106	Isotope_Atom_Count	0
117291	Rotatable_Bond_Count	16
10077129	Undefined_Bond_Stereo_Count	0
69681	Defined_Bond_Stereo_Count	0
13379149	Defined_Bond_Stereo_Count	0
688356	Defined_Atom_Stereo_Count	0
71812105	Hydrogen_Bond_Acceptor_Count	3
75345	Defined_Bond_Stereo_Count	0
5281888	Isotope_Atom_Count	0
60196405	Hydrogen_Bond_Acceptor_Count	5
134158849	Exact_Mass	423.11067264
5334	Structure_Complexity	524
68647	Exact_Mass	329.1294900
11356	Tautomer_Count	1
54980	TPSA	84.4
61896	XLogP3-AA	3
70721	Exact_Mass	110.073164938
24829330	TPSA	137
140083	XLogP3-AA	0.9
317883	Undefined_Bond_Stereo_Count	0
132035918	Undefined_Atom_Stereo_Count	0
70612	Hydrogen_Bond_Acceptor_Count	1
23679632	Molecular_Weight	274.25
85673900	TPSA	38
32336	Mono_Isotopic_Weight	430.24204178
22565	Hydrogen_Bond_Acceptor_Count	2
6918025	Mono_Isotopic_Weight	1190.50414357
24944555	Exact_Mass	480.30680535
7619	Undefined_Bond_Stereo_Count	0
87098264	Defined_Atom_Stereo_Count	0
69340823	Non-hydrogen_Atom_Count	7
22477643	Undefined_Bond_Stereo_Count	0
25124826	Covalent_Unit_Count	1
13602	Isotope_Atom_Count	0
9935526	Exact_Mass	495.16014201
102233552	Defined_Bond_Stereo_Count	1
219121	TPSA	139
75252	XLogP3-AA	2.5
16049374	Exact_Mass	481.1260618
14698	Total_Formal_Charge	0
13853	Molecular_Weight	86.13
57481197	Total_Formal_Charge	0
10975415	Rotatable_Bond_Count	0
62530	Structure_Complexity	200
10251906	XLogP3-AA	3.8
984355	Covalent_Unit_Count	1
128798	Hydrogen_Bond_Donor_Count	0
129830140	Non-hydrogen_Atom_Count	15
30199	Covalent_Unit_Count	1
77405	Undefined_Bond_Stereo_Count	0
4119106	Defined_Atom_Stereo_Count	0
60195903	Hydrogen_Bond_Acceptor_Count	4
454	TPSA	17.1
1053	Hydrogen_Bond_Acceptor_Count	7
13460453	Hydrogen_Bond_Donor_Count	1
61785	Hydrogen_Bond_Donor_Count	1
12625720	Undefined_Bond_Stereo_Count	0
22168583	Isotope_Atom_Count	0
45086609	Molecular_Weight	142.16
59999517	Isotope_Atom_Count	0
99295	Molecular_Weight	87.15
12225167	Hydrogen_Bond_Acceptor_Count	1
20617585	Non-hydrogen_Atom_Count	7
246	Structure_Complexity	668
6190	Defined_Bond_Stereo_Count	0
65763	Defined_Bond_Stereo_Count	0
735	Covalent_Unit_Count	1
14706	Mono_Isotopic_Weight	401.13543
3243	Molecular_Weight	306.5
10991161	XLogP3-AA	2.3
534094	Non-hydrogen_Atom_Count	6
87869	TPSA	213
18908	Mono_Isotopic_Weight	193.9455072
44599828	Hydrogen_Bond_Acceptor_Count	4
3162	Tautomer_Count	1
226288	Hydrogen_Bond_Donor_Count	1
6337614	Defined_Atom_Stereo_Count	2
131682	Covalent_Unit_Count	1
51754	Undefined_Atom_Stereo_Count	1
14245	Hydrogen_Bond_Donor_Count	0
21889836	Structure_Complexity	1240
3806114	Mono_Isotopic_Weight	148.00078784
598760	Mono_Isotopic_Weight	394.87853
25015677	Undefined_Atom_Stereo_Count	0
75066	Non-hydrogen_Atom_Count	27
91506	Non-hydrogen_Atom_Count	58
54767229	Isotope_Atom_Count	0
28080	TPSA	13.7
10433	Hydrogen_Bond_Donor_Count	2
11098017	Molecular_Weight	282.34
317940	TPSA	36.4
520108	Rotatable_Bond_Count	1
30914	Non-hydrogen_Atom_Count	9
31703	Covalent_Unit_Count	1
29025	Undefined_Atom_Stereo_Count	2
9351	Exact_Mass	196.0515740
5328	Structure_Complexity	349
141110997	Undefined_Bond_Stereo_Count	0
2433	Total_Formal_Charge	0
24123450	Hydrogen_Bond_Donor_Count	2
11294	Defined_Bond_Stereo_Count	0
12754	Total_Formal_Charge	0
2723853	Defined_Bond_Stereo_Count	0
134824609	Defined_Bond_Stereo_Count	0
5005498	Defined_Bond_Stereo_Count	0
16219580	Mono_Isotopic_Weight	180.06338810
61585	Non-hydrogen_Atom_Count	18
21721513	XLogP3-AA	1.9
640308	XLogP3-AA	0.2
5773	Undefined_Bond_Stereo_Count	0
135440068	Exact_Mass	267.09675391
124600	Rotatable_Bond_Count	4
14924951	Structure_Complexity	66.1
104610	Total_Formal_Charge	0
60702934	Defined_Bond_Stereo_Count	0
644007	Undefined_Bond_Stereo_Count	0
138335	Defined_Bond_Stereo_Count	0
32048	Covalent_Unit_Count	2
5198	Hydrogen_Bond_Donor_Count	1
58498	Defined_Atom_Stereo_Count	0
11363	Undefined_Atom_Stereo_Count	0
18069	TPSA	43.1
18643	Molecular_Weight	186.30
21037713	Covalent_Unit_Count	1
135509116	Covalent_Unit_Count	1
90579	Tautomer_Count	13
12820038	Rotatable_Bond_Count	1
12282	Exact_Mass	455.7369
131704172	Defined_Bond_Stereo_Count	0
123133871	XLogP3	0.9
22052176	TPSA	35.2
172469	Hydrogen_Bond_Acceptor_Count	18
236566	Defined_Atom_Stereo_Count	0
15110004	Exact_Mass	114.068079557
141969427	TPSA	38.4
5280567	Non-hydrogen_Atom_Count	13
5898	Defined_Bond_Stereo_Count	0
117569444	Mono_Isotopic_Weight	100.100048391
315394	Undefined_Bond_Stereo_Count	1
14975831	Structure_Complexity	16.4
66327	Total_Formal_Charge	0
23642	Mono_Isotopic_Weight	140.02958605
49769064	Structure_Complexity	1340
9852188	Exact_Mass	628.44916039
156422	TPSA	80.6
130128864	Covalent_Unit_Count	1
33599	Defined_Bond_Stereo_Count	0
2209	Exact_Mass	162.02854067
412795	Hydrogen_Bond_Donor_Count	0
81364	Defined_Bond_Stereo_Count	0
41530	Undefined_Bond_Stereo_Count	0
91805671	TPSA	9.2
15116	Defined_Bond_Stereo_Count	0
15510	Defined_Atom_Stereo_Count	0
10451	Non-hydrogen_Atom_Count	6
18380143	Structure_Complexity	169
5528	Isotope_Atom_Count	0
137214744	Molecular_Weight	796.9
533	Molecular_Weight	80.99
22178808	Hydrogen_Bond_Acceptor_Count	9
21805409	TPSA	35.5
24987688	Rotatable_Bond_Count	14
6445562	Hydrogen_Bond_Acceptor_Count	7
83656	Non-hydrogen_Atom_Count	23
30291	Molecular_Weight	278.39
26428	Molecular_Weight	153.18
115205	Rotatable_Bond_Count	13
50163	Covalent_Unit_Count	2
53493353	Isotope_Atom_Count	0
571736	TPSA	52.5
2734903	TPSA	58.2
20119162	Total_Formal_Charge	0
3081304	Structure_Complexity	558
89532783	Hydrogen_Bond_Acceptor_Count	3
53689385	Defined_Bond_Stereo_Count	0
47884	Rotatable_Bond_Count	7
64973752	Structure_Complexity	71.4
6374	Defined_Bond_Stereo_Count	0
4013	Covalent_Unit_Count	1
50962	Exact_Mass	318.161979940
10685477	Isotope_Atom_Count	0
9824953	Undefined_Atom_Stereo_Count	0
123304022	Total_Formal_Charge	0
12022131	Covalent_Unit_Count	1
10972	TPSA	66.4
35004	Hydrogen_Bond_Donor_Count	1
12268623	Undefined_Atom_Stereo_Count	0
139592645	Covalent_Unit_Count	1
3085017	Tautomer_Count	1
1991	Isotope_Atom_Count	0
17700	Rotatable_Bond_Count	9
56679083	Defined_Atom_Stereo_Count	15
1221	TPSA	102
3037456	Total_Formal_Charge	0
165704207	Rotatable_Bond_Count	0
125395	Molecular_Weight	246.26
4479912	Isotope_Atom_Count	0
124085867	Mono_Isotopic_Weight	440.18239586
306131	Covalent_Unit_Count	1
70040	Hydrogen_Bond_Donor_Count	1
51358375	Undefined_Bond_Stereo_Count	0
634876	Total_Formal_Charge	0
39799	Covalent_Unit_Count	8
162171	XLogP3	2.5
102234473	XLogP3-AA	1.8
90957	Isotope_Atom_Count	0
1573	Structure_Complexity	425
4721	Defined_Bond_Stereo_Count	0
144550270	Rotatable_Bond_Count	0
42153	Defined_Atom_Stereo_Count	0
252325	Structure_Complexity	86.2
9955015	Mono_Isotopic_Weight	346.18925731
135749823	TPSA	250
9548889	Exact_Mass	305.033937
19754146	Hydrogen_Bond_Donor_Count	1
135509147	Defined_Bond_Stereo_Count	0
20060494	Non-hydrogen_Atom_Count	7
3403	Structure_Complexity	590
2392	TPSA	84.1
78392	Non-hydrogen_Atom_Count	11
13635	Rotatable_Bond_Count	1
5136276	Total_Formal_Charge	0
66815	Defined_Bond_Stereo_Count	0
1175	Mono_Isotopic_Weight	168.02834000
6857428	Defined_Atom_Stereo_Count	0
16738693	Covalent_Unit_Count	3
11065	Hydrogen_Bond_Donor_Count	1
71260	XLogP3	2.8
66561	Hydrogen_Bond_Donor_Count	1
11655595	Rotatable_Bond_Count	5
636345	Exact_Mass	880.1479789
20038	XLogP3	3
688975	Non-hydrogen_Atom_Count	22
54176	Exact_Mass	398.2336207
101906815	Structure_Complexity	5530
36690486	Undefined_Bond_Stereo_Count	0
25142699	Rotatable_Bond_Count	3
61850	Exact_Mass	206.810898
5484450	TPSA	45.6
4174	Mono_Isotopic_Weight	226.110613074
6604334	Undefined_Bond_Stereo_Count	0
65963	Defined_Atom_Stereo_Count	1
6917778	Mono_Isotopic_Weight	282.1498911
735827	Structure_Complexity	268
6682	Molecular_Weight	255.22
5310987	Total_Formal_Charge	0
53895224	Isotope_Atom_Count	0
279451	Non-hydrogen_Atom_Count	16
68259713	Total_Formal_Charge	0
141429324	Defined_Atom_Stereo_Count	0
9826528	Undefined_Atom_Stereo_Count	0
6947	Hydrogen_Bond_Acceptor_Count	3
135403648	Covalent_Unit_Count	1
17880	Molecular_Weight	680.7
139758	Covalent_Unit_Count	1
3488	Exact_Mass	493.1438199
281478	Isotope_Atom_Count	0
16051	Defined_Atom_Stereo_Count	0
23385871	Rotatable_Bond_Count	0
10026604	Non-hydrogen_Atom_Count	30
4202286	Covalent_Unit_Count	1
23661868	Non-hydrogen_Atom_Count	15
237946	Isotope_Atom_Count	0
87074	Structure_Complexity	123
14607364	Covalent_Unit_Count	1
11294	Defined_Atom_Stereo_Count	0
103656	Tautomer_Count	1
534940	Mono_Isotopic_Weight	101.047678466
29701	Total_Formal_Charge	0
39468	Mono_Isotopic_Weight	291.18344366
267769	Structure_Complexity	426
14966433	Non-hydrogen_Atom_Count	7
31390	Hydrogen_Bond_Acceptor_Count	4
23543702	Hydrogen_Bond_Donor_Count	2
55289386	Covalent_Unit_Count	1
455041	Structure_Complexity	331
7142	Undefined_Atom_Stereo_Count	0
68952	Rotatable_Bond_Count	5
134919	Undefined_Atom_Stereo_Count	0
4023	TPSA	90.4
148007841	TPSA	3
3047830	Hydrogen_Bond_Acceptor_Count	3
12965	Structure_Complexity	68.5
71076901	Defined_Atom_Stereo_Count	9
4622	Structure_Complexity	288
108888	Total_Formal_Charge	0
11083833	Undefined_Atom_Stereo_Count	0
4690818	Structure_Complexity	260
27944	Defined_Atom_Stereo_Count	1
4342487	Hydrogen_Bond_Donor_Count	0
74626	Molecular_Weight	122.12
74210	Defined_Bond_Stereo_Count	0
79036	Rotatable_Bond_Count	1
91825644	Hydrogen_Bond_Acceptor_Count	3
8256	Hydrogen_Bond_Donor_Count	0
21088	Defined_Bond_Stereo_Count	0
3780	Defined_Atom_Stereo_Count	0
866430	Defined_Bond_Stereo_Count	0
2299	Rotatable_Bond_Count	12
142891	XLogP3	3.3
6951563	Covalent_Unit_Count	1
259381	Total_Formal_Charge	0
72237	Exact_Mass	502.98338061
71363036	Structure_Complexity	358
93193	Tautomer_Count	1
44462985	Defined_Bond_Stereo_Count	0
135749824	Undefined_Atom_Stereo_Count	0
642240	Defined_Bond_Stereo_Count	1
2844	Hydrogen_Bond_Acceptor_Count	7
97727	Molecular_Weight	271.8
10678200	Defined_Atom_Stereo_Count	0
636368	Molecular_Weight	484.5
6427071	Molecular_Weight	194.27
86399	Non-hydrogen_Atom_Count	14
87919798	Molecular_Weight	106.13
445420	Non-hydrogen_Atom_Count	29
11320921	Isotope_Atom_Count	0
11377266	XLogP3-AA	6.1
159190124	TPSA	279
10887853	TPSA	28.2
152754843	Undefined_Bond_Stereo_Count	0
93804	Molecular_Weight	608.3
60196286	Exact_Mass	328.10056145
17184	Defined_Bond_Stereo_Count	0
70730	Defined_Bond_Stereo_Count	0
235905	Tautomer_Count	1
12304613	Undefined_Bond_Stereo_Count	0
20240	Exact_Mass	194.094294304
5280953	Hydrogen_Bond_Donor_Count	1
62802	Hydrogen_Bond_Acceptor_Count	4
14510945	Defined_Atom_Stereo_Count	0
6433266	Total_Formal_Charge	0
21955784	Exact_Mass	158.048012819
15529	XLogP3	3.7
30199	Mono_Isotopic_Weight	163.063328530
138517092	Undefined_Atom_Stereo_Count	0
101554	Tautomer_Count	1
4428	TPSA	70
69695	Non-hydrogen_Atom_Count	11
285402	Structure_Complexity	292
76922	Exact_Mass	113.02992040
3016472	Undefined_Bond_Stereo_Count	0
14337609	Molecular_Weight	96.13
11123355	Structure_Complexity	101
17920260	XLogP3-AA	1.5
443945	Undefined_Bond_Stereo_Count	0
5382849	Hydrogen_Bond_Donor_Count	4
11086	Defined_Bond_Stereo_Count	0
3035442	Mono_Isotopic_Weight	403.1550360
69610	Covalent_Unit_Count	1
14761567	Undefined_Bond_Stereo_Count	0
129677105	Undefined_Bond_Stereo_Count	0
11069215	Undefined_Bond_Stereo_Count	0
15193678	Total_Formal_Charge	0
11292963	XLogP3-AA	5.1
4655	TPSA	32.3
57235257	Defined_Atom_Stereo_Count	0
11393	Structure_Complexity	212
18055	Undefined_Bond_Stereo_Count	0
968472	Exact_Mass	328.14230712
76538	Hydrogen_Bond_Donor_Count	0
92781	Structure_Complexity	556
55284122	Defined_Atom_Stereo_Count	0
1665	Undefined_Atom_Stereo_Count	1
101254313	Covalent_Unit_Count	1
44345198	Hydrogen_Bond_Acceptor_Count	5
70717	Mono_Isotopic_Weight	113.047678466
69315	Rotatable_Bond_Count	6
10049	Molecular_Weight	154.25
86384	Covalent_Unit_Count	3
18442764	Undefined_Bond_Stereo_Count	0
751826	Isotope_Atom_Count	0
114376	Defined_Bond_Stereo_Count	0
50988820	Total_Formal_Charge	0
138319688	Exact_Mass	487.16199476
1549062	Non-hydrogen_Atom_Count	16
11869222	Rotatable_Bond_Count	3
14706	Covalent_Unit_Count	2
65700	Undefined_Bond_Stereo_Count	0
90087	Molecular_Weight	225.5
43168	Isotope_Atom_Count	0
14707	Tautomer_Count	3
6433513	Hydrogen_Bond_Acceptor_Count	4
487856	Undefined_Bond_Stereo_Count	0
5715107	Exact_Mass	186.079312947
121290492	Covalent_Unit_Count	1
16740	Hydrogen_Bond_Acceptor_Count	4
67686	Undefined_Bond_Stereo_Count	0
3057	Non-hydrogen_Atom_Count	34
520711	TPSA	12
5491930	Exact_Mass	78.00654193
3442	Hydrogen_Bond_Acceptor_Count	3
845588	Exact_Mass	290.08374688
5281107	Isotope_Atom_Count	0
67258371	Isotope_Atom_Count	0
75282	Non-hydrogen_Atom_Count	12
57144446	Total_Formal_Charge	0
10437166	XLogP3-AA	4.3
18956015	Non-hydrogen_Atom_Count	8
1243	Covalent_Unit_Count	1
11717001	Isotope_Atom_Count	0
637858	Defined_Bond_Stereo_Count	1
102146446	Exact_Mass	115.123523487
18622364	Hydrogen_Bond_Acceptor_Count	3
910268	Structure_Complexity	312
55288089	Defined_Atom_Stereo_Count	0
4403	Total_Formal_Charge	0
16134409	Molecular_Weight	1893.0
15098633	Covalent_Unit_Count	1
14504	Structure_Complexity	92.5
12933420	Mono_Isotopic_Weight	83.048347172
139488	TPSA	17.1
86705695	Total_Formal_Charge	0
13982269	Total_Formal_Charge	0
15031772	Rotatable_Bond_Count	0
129228	Rotatable_Bond_Count	3
447277	Undefined_Atom_Stereo_Count	0
53846435	Non-hydrogen_Atom_Count	30
91607189	Rotatable_Bond_Count	1
22021903	Non-hydrogen_Atom_Count	7
24750	Structure_Complexity	115
141082	Mono_Isotopic_Weight	98.073164938
12667	Hydrogen_Bond_Donor_Count	1
90248267	Molecular_Weight	102.14
54693001	Rotatable_Bond_Count	7
55289472	Molecular_Weight	100.12
44521022	Isotope_Atom_Count	0
11193842	Total_Formal_Charge	0
102491	Rotatable_Bond_Count	6
17118	Molecular_Weight	251.71
25243830	Covalent_Unit_Count	1
4012	Molecular_Weight	790.8
21791020	Non-hydrogen_Atom_Count	8
70280758	Rotatable_Bond_Count	4
12066842	Molecular_Weight	98.15
1070	Structure_Complexity	522
13153908	Isotope_Atom_Count	0
44563111	Structure_Complexity	484
6017	Hydrogen_Bond_Donor_Count	0
5232593	Non-hydrogen_Atom_Count	5
15311935	Undefined_Bond_Stereo_Count	0
5460389	Hydrogen_Bond_Donor_Count	2
145945090	Hydrogen_Bond_Donor_Count	18
1732	Hydrogen_Bond_Acceptor_Count	1
12348	Structure_Complexity	79
1980698	Structure_Complexity	346
686703	Rotatable_Bond_Count	3
77720	Covalent_Unit_Count	1
91419082	Undefined_Atom_Stereo_Count	1
123650722	Non-hydrogen_Atom_Count	47
14305	TPSA	20.2
77051	XLogP3-AA	1.4
139586083	Hydrogen_Bond_Donor_Count	16
124770287	Non-hydrogen_Atom_Count	47
91439614	Defined_Atom_Stereo_Count	0
21614503	XLogP3-AA	0.6
91886115	Structure_Complexity	469
33014	Isotope_Atom_Count	0
9811221	Structure_Complexity	1690
9972	Undefined_Atom_Stereo_Count	0
5338	Rotatable_Bond_Count	3
24776149	Isotope_Atom_Count	0
5330213	Hydrogen_Bond_Donor_Count	1
6917975	Undefined_Atom_Stereo_Count	0
86000267	Hydrogen_Bond_Acceptor_Count	0
12763	Isotope_Atom_Count	0
10319630	Defined_Atom_Stereo_Count	0
145391309	Exact_Mass	101.047678466
2689	Total_Formal_Charge	0
13021	Hydrogen_Bond_Donor_Count	1
86566	Defined_Bond_Stereo_Count	0
53319741	Rotatable_Bond_Count	3
10572530	Isotope_Atom_Count	0
359137	Covalent_Unit_Count	2
446080	Mono_Isotopic_Weight	88.063662883
6517	Total_Formal_Charge	0
6918049	Hydrogen_Bond_Donor_Count	1
1769	XLogP3-AA	3.7
14017587	Rotatable_Bond_Count	9
3794	Rotatable_Bond_Count	4
6918182	Undefined_Atom_Stereo_Count	0
19380118	Hydrogen_Bond_Acceptor_Count	1
146157396	Rotatable_Bond_Count	17
104755	Structure_Complexity	0
71128	Rotatable_Bond_Count	9
11171745	Isotope_Atom_Count	0
53484518	Structure_Complexity	52
17816	Covalent_Unit_Count	1
66811197	Defined_Atom_Stereo_Count	0
79718	Undefined_Bond_Stereo_Count	0
4834	Non-hydrogen_Atom_Count	36
18949974	Hydrogen_Bond_Acceptor_Count	3
11382710	Non-hydrogen_Atom_Count	24
12512801	Covalent_Unit_Count	1
185902	Hydrogen_Bond_Donor_Count	2
680429	Defined_Bond_Stereo_Count	0
14803	Defined_Bond_Stereo_Count	0
60196393	Exact_Mass	263.08029903
2943	Undefined_Bond_Stereo_Count	0
13751	Mono_Isotopic_Weight	254.178298710
87661	Mono_Isotopic_Weight	349.22867977
15709803	Covalent_Unit_Count	1
9446	Rotatable_Bond_Count	4
5313082	Rotatable_Bond_Count	36
54684461	Hydrogen_Bond_Acceptor_Count	10
208924	Non-hydrogen_Atom_Count	21
2981	Non-hydrogen_Atom_Count	16
123935295	Defined_Bond_Stereo_Count	0
18	Undefined_Bond_Stereo_Count	0
9	Total_Formal_Charge	0
20472034	XLogP3-AA	0.1
57656715	XLogP3-AA	3.5
127527	Covalent_Unit_Count	1
145784171	Structure_Complexity	415
2123	Non-hydrogen_Atom_Count	15
13044596	Isotope_Atom_Count	0
11818	Hydrogen_Bond_Donor_Count	0
6852393	Molecular_Weight	272.4
60196327	Covalent_Unit_Count	2
24972597	Mono_Isotopic_Weight	113.084063974
67553	Mono_Isotopic_Weight	369.18925
398561	Exact_Mass	372.1968412
20149870	Undefined_Bond_Stereo_Count	0
37910	Rotatable_Bond_Count	10
98058	Undefined_Bond_Stereo_Count	0
81166	Tautomer_Count	1
7658	Isotope_Atom_Count	0
129671755	Undefined_Bond_Stereo_Count	0
63141	Defined_Bond_Stereo_Count	0
16211197	Hydrogen_Bond_Acceptor_Count	5
56672298	Structure_Complexity	680
81638	Hydrogen_Bond_Acceptor_Count	3
5284631	Total_Formal_Charge	0
9588170	Defined_Atom_Stereo_Count	0
44119431	TPSA	90.2
921	Covalent_Unit_Count	1
12867	Hydrogen_Bond_Acceptor_Count	2
17356	TPSA	50.6
161760	XLogP3-AA	0
20055283	Isotope_Atom_Count	0
11957535	Defined_Atom_Stereo_Count	1
3002190	Non-hydrogen_Atom_Count	58
441278	Rotatable_Bond_Count	2
4469	Covalent_Unit_Count	9
70769	Undefined_Bond_Stereo_Count	0
90657669	Undefined_Atom_Stereo_Count	0
107196	Structure_Complexity	52.5
66874662	Defined_Bond_Stereo_Count	0
13532837	Total_Formal_Charge	0
47824	Hydrogen_Bond_Acceptor_Count	4
49864506	Undefined_Bond_Stereo_Count	0
6761	Undefined_Atom_Stereo_Count	0
238498	Non-hydrogen_Atom_Count	11
551778	Structure_Complexity	67.9
15459	Undefined_Atom_Stereo_Count	1
2214	Undefined_Atom_Stereo_Count	0
26106	Undefined_Bond_Stereo_Count	0
398743	Hydrogen_Bond_Donor_Count	1
25114553	XLogP3-AA	2.4
30020	Isotope_Atom_Count	0
64865	Exact_Mass	292.215078140
8620	Isotope_Atom_Count	0
5464097	Exact_Mass	402.21547206
6829	Defined_Atom_Stereo_Count	0
147614	TPSA	32.7
14017587	Isotope_Atom_Count	0
41043	Exact_Mass	190.04121336
122356	Structure_Complexity	83.1
45271369	XLogP3-AA	3.7
978766	Defined_Bond_Stereo_Count	0
3035240	Structure_Complexity	409
10947574	Hydrogen_Bond_Donor_Count	3
2733531	TPSA	248
23434975	Covalent_Unit_Count	1
6777	Non-hydrogen_Atom_Count	24
101306862	TPSA	136
13155711	Non-hydrogen_Atom_Count	7
11717074	Isotope_Atom_Count	0
95259	Undefined_Bond_Stereo_Count	0
40470	Rotatable_Bond_Count	1
13589	Total_Formal_Charge	0
143061	Defined_Atom_Stereo_Count	0
58	Undefined_Bond_Stereo_Count	0
11534927	Non-hydrogen_Atom_Count	16
67553	Hydrogen_Bond_Acceptor_Count	1
18942519	Non-hydrogen_Atom_Count	11
92866	Undefined_Atom_Stereo_Count	1
8094	Undefined_Atom_Stereo_Count	0
443297	Tautomer_Count	1
135412736	Non-hydrogen_Atom_Count	20
44154493	Non-hydrogen_Atom_Count	30
5355457	Undefined_Atom_Stereo_Count	0
21275073	Mono_Isotopic_Weight	80.026214747
67184	TPSA	37.4
19392414	Structure_Complexity	68.3
48845	Exact_Mass	354.19434270
12342	Molecular_Weight	88.07
44458766	Undefined_Bond_Stereo_Count	0
70696850	Rotatable_Bond_Count	6
135398721	Total_Formal_Charge	0
16217605	Defined_Bond_Stereo_Count	0
11844916	TPSA	83.8
10334852	Non-hydrogen_Atom_Count	20
66684245	Undefined_Atom_Stereo_Count	1
107694	TPSA	101
59630221	XLogP3-AA	2.4
220773	Exact_Mass	346.12050905
11063855	Isotope_Atom_Count	0
6251	Defined_Bond_Stereo_Count	0
122172945	Defined_Atom_Stereo_Count	11
66624434	Hydrogen_Bond_Acceptor_Count	4
93536	Rotatable_Bond_Count	2
529	Defined_Bond_Stereo_Count	0
17754178	Molecular_Weight	160.28
16606	Undefined_Bond_Stereo_Count	0
62773515	Covalent_Unit_Count	1
132989384	Undefined_Atom_Stereo_Count	1
64139	Structure_Complexity	519
57391320	Undefined_Atom_Stereo_Count	0
15983552	Structure_Complexity	650
712421	Defined_Atom_Stereo_Count	1
60196348	Hydrogen_Bond_Donor_Count	1
140557163	Undefined_Bond_Stereo_Count	0
6158	Undefined_Bond_Stereo_Count	0
9800194	Undefined_Bond_Stereo_Count	0
123292394	Rotatable_Bond_Count	0
2734173	Mono_Isotopic_Weight	164.143924578
10478302	Defined_Atom_Stereo_Count	0
17995824	Molecular_Weight	98.10
9571109	Exact_Mass	395.068258
51047	Mono_Isotopic_Weight	292.0978555
126968495	Defined_Atom_Stereo_Count	19
11366	Non-hydrogen_Atom_Count	27
49800054	Covalent_Unit_Count	1
14201285	Undefined_Atom_Stereo_Count	0
123348667	Mono_Isotopic_Weight	111.068413911
5320867	Exact_Mass	324.183778013
303	Covalent_Unit_Count	1
5364394	Molecular_Weight	96.17
3791	Isotope_Atom_Count	0
32719	TPSA	12.4
64107	Tautomer_Count	8
32816	Hydrogen_Bond_Donor_Count	2
105426944	Exact_Mass	101.084063974
12580931	Isotope_Atom_Count	0
12389	Molecular_Weight	198.39
51921896	Exact_Mass	342.11621151
73265408	Undefined_Bond_Stereo_Count	5
59729233	Non-hydrogen_Atom_Count	8
122087	Defined_Atom_Stereo_Count	0
741	Covalent_Unit_Count	1
274730	TPSA	185
86439	Mono_Isotopic_Weight	433.0539994
2737121	Defined_Atom_Stereo_Count	0
21843641	Undefined_Bond_Stereo_Count	0
850501	Undefined_Atom_Stereo_Count	0
129010338	Hydrogen_Bond_Acceptor_Count	3
12660049	Defined_Bond_Stereo_Count	0
84420187	Defined_Bond_Stereo_Count	0
808817	Molecular_Weight	247.33
93535113	Rotatable_Bond_Count	0
35492	Covalent_Unit_Count	1
19693843	Molecular_Weight	98.10
33013	Hydrogen_Bond_Acceptor_Count	2
131966078	Covalent_Unit_Count	1
88266	Defined_Atom_Stereo_Count	0
70682078	Rotatable_Bond_Count	4
134688573	Molecular_Weight	496.6
443408	Covalent_Unit_Count	1
13199930	Tautomer_Count	1
44563112	Covalent_Unit_Count	1
10287749	Rotatable_Bond_Count	6
104920	Total_Formal_Charge	0
123385940	Undefined_Atom_Stereo_Count	4
20524	XLogP3	0.3
688217	Molecular_Weight	339.4
21718901	Defined_Bond_Stereo_Count	0
83976	Molecular_Weight	909.6
10476254	Non-hydrogen_Atom_Count	27
67254077	Undefined_Atom_Stereo_Count	0
59296085	Non-hydrogen_Atom_Count	31
6433554	Molecular_Weight	1597.6
3568	Total_Formal_Charge	0
549482	Undefined_Atom_Stereo_Count	1
13758	Non-hydrogen_Atom_Count	21
14843	Structure_Complexity	502
53486170	Defined_Bond_Stereo_Count	0
800	TPSA	32.9
7724	Hydrogen_Bond_Acceptor_Count	1
50983	Exact_Mass	401.042525
51358375	XLogP3-AA	4
57674785	Covalent_Unit_Count	1
117890905	Structure_Complexity	113
16738693	Molecular_Weight	430.4
91434	TPSA	123
97443	Hydrogen_Bond_Donor_Count	0
62842	Covalent_Unit_Count	1
10114130	Hydrogen_Bond_Donor_Count	3
20806292	Molecular_Weight	99.17
134689739	Defined_Bond_Stereo_Count	0
70685697	Structure_Complexity	491
92727	Hydrogen_Bond_Acceptor_Count	5
13020083	Molecular_Weight	336.21
66545759	Structure_Complexity	880
4659	Molecular_Weight	407.14
45268380	Isotope_Atom_Count	0
2734931	Rotatable_Bond_Count	2
57930746	Hydrogen_Bond_Donor_Count	0
15291	Undefined_Bond_Stereo_Count	0
86112	TPSA	20.2
9419	Hydrogen_Bond_Donor_Count	0
46936965	XLogP3-AA	0.6
12068306	Exact_Mass	94.078250319
142464198	Molecular_Weight	112.17
71317028	Undefined_Atom_Stereo_Count	5
16204922	Molecular_Weight	330.3
55285816	Rotatable_Bond_Count	1
10499446	Non-hydrogen_Atom_Count	28
208947	Mono_Isotopic_Weight	293.152812238
162883452	Non-hydrogen_Atom_Count	36
6604757	Hydrogen_Bond_Donor_Count	2
91415017	Total_Formal_Charge	0
10406	Undefined_Atom_Stereo_Count	1
88371993	Defined_Atom_Stereo_Count	0
163838	Tautomer_Count	3
7239	Rotatable_Bond_Count	0
15306	Structure_Complexity	39.2
16213640	Non-hydrogen_Atom_Count	12
631468	XLogP3-AA	2.2
16217852	Non-hydrogen_Atom_Count	9
69624	Hydrogen_Bond_Donor_Count	0
53465256	XLogP3-AA	4.9
65944	Undefined_Bond_Stereo_Count	0
117752163	Hydrogen_Bond_Donor_Count	2
925253	Mono_Isotopic_Weight	303.18344366
3972	TPSA	54.7
71624581	Undefined_Bond_Stereo_Count	0
520352	Isotope_Atom_Count	0
14823	Undefined_Bond_Stereo_Count	0
14359581	Molecular_Weight	109.13
6950248	Structure_Complexity	45.3
11657	Total_Formal_Charge	0
337100	Non-hydrogen_Atom_Count	8
5282192	Total_Formal_Charge	0
15131492	TPSA	79.7
11509	Undefined_Atom_Stereo_Count	0
7770	Structure_Complexity	79
16079005	Covalent_Unit_Count	2
13671	Non-hydrogen_Atom_Count	13
12599715	Hydrogen_Bond_Donor_Count	1
23456	Isotope_Atom_Count	0
82734	TPSA	61.6
137117239	TPSA	214
444022	Defined_Atom_Stereo_Count	6
21900379	Total_Formal_Charge	0
10493732	Hydrogen_Bond_Donor_Count	2
21622656	Total_Formal_Charge	0
67948733	Defined_Atom_Stereo_Count	0
55404	Undefined_Bond_Stereo_Count	0
638278	TPSA	77.8
71485	Structure_Complexity	405
3894573	Undefined_Atom_Stereo_Count	0
3017748	Tautomer_Count	1
98500	Structure_Complexity	234
62441	Hydrogen_Bond_Donor_Count	4
6992089	TPSA	111
22286946	Mono_Isotopic_Weight	99.068413911
70752	Rotatable_Bond_Count	1
935707	Structure_Complexity	443
54688694	Tautomer_Count	288
13695806	Non-hydrogen_Atom_Count	8
23663977	Rotatable_Bond_Count	14
23662354	Undefined_Atom_Stereo_Count	0
5702237	Mono_Isotopic_Weight	317.11106656
54686187	Hydrogen_Bond_Donor_Count	9
46239	Total_Formal_Charge	0
12828792	TPSA	33
5289104	Undefined_Bond_Stereo_Count	0
43507	Isotope_Atom_Count	0
90098	Total_Formal_Charge	0
182511	Non-hydrogen_Atom_Count	14
3711	Rotatable_Bond_Count	9
6321414	TPSA	235
16019977	Defined_Atom_Stereo_Count	0
18730043	TPSA	0
72885	Exact_Mass	85.089149355
194383	Molecular_Weight	681.7
161664	Defined_Atom_Stereo_Count	0
54531644	Hydrogen_Bond_Acceptor_Count	2
71459864	Defined_Atom_Stereo_Count	8
46203139	Undefined_Atom_Stereo_Count	0
6075	Defined_Atom_Stereo_Count	0
987917	Defined_Atom_Stereo_Count	0
90722224	Covalent_Unit_Count	1
109307	TPSA	46.5
66908762	Mono_Isotopic_Weight	114.104465066
85971419	TPSA	0
71439018	Isotope_Atom_Count	0
11338127	Defined_Bond_Stereo_Count	0
40666	TPSA	23.5
75786	Isotope_Atom_Count	0
521874	Undefined_Bond_Stereo_Count	0
82511	Undefined_Bond_Stereo_Count	0
6913588	Structure_Complexity	177
75059709	Total_Formal_Charge	0
8550	Exact_Mass	578.26281617
829795	Non-hydrogen_Atom_Count	16
71693	Molecular_Weight	311.4
884462	Covalent_Unit_Count	1
26924	Exact_Mass	377.8174567
21284699	Defined_Bond_Stereo_Count	0
135814155	XLogP3-AA	1.9
129073603	Undefined_Bond_Stereo_Count	0
20673	Covalent_Unit_Count	2
819440	Structure_Complexity	76.8
60167543	Total_Formal_Charge	0
42051894	Non-hydrogen_Atom_Count	23
4870	Rotatable_Bond_Count	4
18509075	Undefined_Atom_Stereo_Count	0
163872483	Undefined_Atom_Stereo_Count	3
13399	Covalent_Unit_Count	1
44454985	Total_Formal_Charge	0
284161	Hydrogen_Bond_Donor_Count	2
57392871	XLogP3-AA	4.8
10760	Mono_Isotopic_Weight	226.12050905
978766	Exact_Mass	429.05105
74404	Defined_Bond_Stereo_Count	0
54372438	Undefined_Bond_Stereo_Count	0
126708022	Total_Formal_Charge	0
102594130	Total_Formal_Charge	0
71793	Undefined_Bond_Stereo_Count	0
24350	Mono_Isotopic_Weight	189.83407
306049	Isotope_Atom_Count	0
73697	Mono_Isotopic_Weight	204.043596145
3032306	Defined_Bond_Stereo_Count	0
93252	Hydrogen_Bond_Acceptor_Count	2
8271	Covalent_Unit_Count	1
136096147	Defined_Bond_Stereo_Count	0
20250	Non-hydrogen_Atom_Count	12
23519852	Exact_Mass	366.06204624
6507255	Defined_Atom_Stereo_Count	1
11539725	Isotope_Atom_Count	0
5987	Covalent_Unit_Count	1
7869	Defined_Atom_Stereo_Count	0
23661960	Defined_Atom_Stereo_Count	0
11518241	Isotope_Atom_Count	0
101938021	TPSA	46.5
18324177	Defined_Atom_Stereo_Count	0
13487610	Non-hydrogen_Atom_Count	12
129636415	Exact_Mass	492.34106649
129073603	Hydrogen_Bond_Acceptor_Count	9
123053	Total_Formal_Charge	0
79484	XLogP3	1.2
452550	Hydrogen_Bond_Acceptor_Count	15
44243139	Total_Formal_Charge	0
296732	Defined_Atom_Stereo_Count	0
9256	Non-hydrogen_Atom_Count	5
7874	Defined_Atom_Stereo_Count	0
71600094	Tautomer_Count	14
46213929	Defined_Atom_Stereo_Count	0
69851796	Covalent_Unit_Count	1
12542141	TPSA	17.1
98887	Undefined_Bond_Stereo_Count	0
5459220	TPSA	215
57369253	Structure_Complexity	688
80108693	Rotatable_Bond_Count	1
8417	TPSA	44.8
65092	Undefined_Atom_Stereo_Count	0
12694	Mono_Isotopic_Weight	126.9591691
58385	Tautomer_Count	1
14761567	XLogP3-AA	0.9
8523	Hydrogen_Bond_Donor_Count	0
11281011	Defined_Bond_Stereo_Count	0
7720	Structure_Complexity	52.5
476778	Covalent_Unit_Count	1
5357402	Isotope_Atom_Count	0
9494	Covalent_Unit_Count	1
185588	Undefined_Atom_Stereo_Count	0
13329881	Structure_Complexity	58.7
6918427	Covalent_Unit_Count	3
17103	Undefined_Bond_Stereo_Count	0
135582708	Covalent_Unit_Count	1
102503760	Mono_Isotopic_Weight	665.30474055
12245594	XLogP3-AA	1.7
21702831	Mono_Isotopic_Weight	111.068413911
61024	Exact_Mass	200.177630004
2296	Defined_Bond_Stereo_Count	0
10197646	Defined_Atom_Stereo_Count	0
60582	Mono_Isotopic_Weight	272.04669266
151994	Defined_Atom_Stereo_Count	0
136247302	Structure_Complexity	667
12579403	Rotatable_Bond_Count	1
57399428	TPSA	77.6
6440183	Molecular_Weight	175.18
11224	Undefined_Atom_Stereo_Count	1
4098	Undefined_Bond_Stereo_Count	0
377	Rotatable_Bond_Count	15
25168854	Mono_Isotopic_Weight	253.02146
10200589	Non-hydrogen_Atom_Count	29
53846421	Hydrogen_Bond_Donor_Count	3
6437850	Structure_Complexity	184
49170	Tautomer_Count	5
45934213	Defined_Atom_Stereo_Count	8
88976	Defined_Bond_Stereo_Count	0
91065259	TPSA	35.8
76704897	Defined_Bond_Stereo_Count	0
57392165	Exact_Mass	379.0200553
6492	Undefined_Atom_Stereo_Count	4
14416612	Hydrogen_Bond_Acceptor_Count	4
57400138	Undefined_Bond_Stereo_Count	0
23670359	Hydrogen_Bond_Acceptor_Count	8
12468309	Undefined_Atom_Stereo_Count	0
11063855	Hydrogen_Bond_Donor_Count	2
57057991	Defined_Atom_Stereo_Count	0
3595299	Defined_Bond_Stereo_Count	0
79125	Isotope_Atom_Count	0
56224	TPSA	12
11865407	Undefined_Bond_Stereo_Count	0
13271066	Hydrogen_Bond_Acceptor_Count	7
82517	Defined_Bond_Stereo_Count	0
68321898	Structure_Complexity	676
172306	Tautomer_Count	4
12648080	TPSA	39.4
6300	Undefined_Atom_Stereo_Count	0
3714	Undefined_Atom_Stereo_Count	0
5948	Covalent_Unit_Count	1
1724	Rotatable_Bond_Count	13
72155	Total_Formal_Charge	0
21123938	Rotatable_Bond_Count	2
57369982	Rotatable_Bond_Count	3
21123938	Hydrogen_Bond_Acceptor_Count	5
410099	Defined_Bond_Stereo_Count	0
16051921	Non-hydrogen_Atom_Count	26
139085145	Undefined_Bond_Stereo_Count	0
55697	Defined_Bond_Stereo_Count	0
6096207	Defined_Bond_Stereo_Count	0
13224	Structure_Complexity	160
79010	Isotope_Atom_Count	0
385	Isotope_Atom_Count	0
32767	Defined_Bond_Stereo_Count	0
5068681	Defined_Atom_Stereo_Count	0
93480	Isotope_Atom_Count	0
79919	Covalent_Unit_Count	1
19791624	XLogP3-AA	0.7
7959	Isotope_Atom_Count	0
830	Non-hydrogen_Atom_Count	12
6658	Exact_Mass	100.052429494
4119106	Hydrogen_Bond_Donor_Count	1
14474501	Structure_Complexity	109
9811611	XLogP3-AA	3.7
61285	Mono_Isotopic_Weight	227.09799996
163050674	Hydrogen_Bond_Donor_Count	1
6436158	Exact_Mass	813.45107043
15250	Covalent_Unit_Count	1
12623599	TPSA	26
69160	Hydrogen_Bond_Donor_Count	3
67512	Rotatable_Bond_Count	0
21910271	Undefined_Atom_Stereo_Count	0
3462	Hydrogen_Bond_Donor_Count	2
3306	TPSA	52.5
12275054	Non-hydrogen_Atom_Count	8
69504120	Defined_Bond_Stereo_Count	0
51029965	Rotatable_Bond_Count	7
138752609	Total_Formal_Charge	0
14709	Defined_Bond_Stereo_Count	0
42552711	Mono_Isotopic_Weight	342.11621151
41733	Covalent_Unit_Count	2
654	Non-hydrogen_Atom_Count	9
10177	XLogP3-AA	2.7
49803313	Non-hydrogen_Atom_Count	40
64975	Covalent_Unit_Count	1
9601226	Mono_Isotopic_Weight	563.30118980
50523	Total_Formal_Charge	0
58595959	Defined_Bond_Stereo_Count	0
5922	Isotope_Atom_Count	0
11789157	Covalent_Unit_Count	1
642110	Hydrogen_Bond_Acceptor_Count	2
163735019	Isotope_Atom_Count	0
12498	Molecular_Weight	290.19
134695353	TPSA	110
154461366	Mono_Isotopic_Weight	107.037113783
539001	Defined_Atom_Stereo_Count	0
758	Defined_Atom_Stereo_Count	0
70688017	Defined_Bond_Stereo_Count	0
22591684	Covalent_Unit_Count	1
54690394	Undefined_Atom_Stereo_Count	0
10101269	Mono_Isotopic_Weight	703.87857
6437801	Hydrogen_Bond_Donor_Count	0
447546	Defined_Atom_Stereo_Count	1
88006	Mono_Isotopic_Weight	193.110278721
2797	Molecular_Weight	214.64
82752	Molecular_Weight	398.6
11934	XLogP3	5.1
156816292	Non-hydrogen_Atom_Count	8
720471	XLogP3	0
73981	Mono_Isotopic_Weight	57.9905210
636857	XLogP3-AA	3.1
20531373	TPSA	16.4
54582513	TPSA	23.5
165437289	Non-hydrogen_Atom_Count	88
657308	Covalent_Unit_Count	2
19022508	XLogP3-AA	3.4
50397	Hydrogen_Bond_Donor_Count	1
5284537	Hydrogen_Bond_Acceptor_Count	3
7018	Rotatable_Bond_Count	0
87105125	Undefined_Bond_Stereo_Count	0
7837	Defined_Atom_Stereo_Count	0
534610	Undefined_Bond_Stereo_Count	0
31217	Undefined_Bond_Stereo_Count	0
136216662	Isotope_Atom_Count	0
12285863	Rotatable_Bond_Count	1
34408	TPSA	94.2
22327	XLogP3-AA	10
439709	Rotatable_Bond_Count	2
4382	Structure_Complexity	130
68381	Undefined_Atom_Stereo_Count	0
2721	Undefined_Bond_Stereo_Count	1
7019	Covalent_Unit_Count	1
24529	Total_Formal_Charge	0
23423	Hydrogen_Bond_Acceptor_Count	6
25403	Hydrogen_Bond_Donor_Count	0
76955630	Structure_Complexity	704
88398	Mono_Isotopic_Weight	87.104799419
1123	Tautomer_Count	1
54603930	Covalent_Unit_Count	2
5327	XLogP3	0.3
61124202	Structure_Complexity	134
46863	Exact_Mass	234.961448
20055294	Tautomer_Count	1
97012113	Undefined_Atom_Stereo_Count	0
734999	Non-hydrogen_Atom_Count	24
154915	TPSA	40.2
22768309	Exact_Mass	114.104465066
77813014	TPSA	63.3
41171	Tautomer_Count	1
22757346	Mono_Isotopic_Weight	80.062600255
391144	Hydrogen_Bond_Donor_Count	2
7937	Rotatable_Bond_Count	0
3971	Exact_Mass	306.136827821
61680	Total_Formal_Charge	0
97050130	Molecular_Weight	342.30
638116	Exact_Mass	116.065741536
16667743	TPSA	128
141315892	Molecular_Weight	99.09
36647	Defined_Bond_Stereo_Count	0
48229	Mono_Isotopic_Weight	414.08274139
420	XLogP3-AA	8.3
8107	Undefined_Bond_Stereo_Count	0
33643	Non-hydrogen_Atom_Count	4
84998	Total_Formal_Charge	0
9843744	Defined_Atom_Stereo_Count	1
85999939	Structure_Complexity	159
83976	TPSA	231
61743	Mono_Isotopic_Weight	170.130679813
12420323	Total_Formal_Charge	0
15431	XLogP3-AA	3.5
91667591	Rotatable_Bond_Count	16
44571102	Rotatable_Bond_Count	4
11957491	Defined_Bond_Stereo_Count	1
23317073	Non-hydrogen_Atom_Count	7
9901	Exact_Mass	312.208930132
75320	Mono_Isotopic_Weight	242.224580195
22715990	Defined_Atom_Stereo_Count	0
1549991	Mono_Isotopic_Weight	100.088815002
3037070	Non-hydrogen_Atom_Count	21
57887199	Total_Formal_Charge	0
56670168	Molecular_Weight	492.0
89545750	Defined_Bond_Stereo_Count	5
160866	Undefined_Atom_Stereo_Count	2
12114682	Structure_Complexity	142
21798491	Defined_Atom_Stereo_Count	0
27182	TPSA	21.3
12399560	Total_Formal_Charge	0
299643	Undefined_Bond_Stereo_Count	0
79224	Molecular_Weight	216.03
138106567	Covalent_Unit_Count	13
6951129	Covalent_Unit_Count	1
54352844	Molecular_Weight	98.10
141024055	Total_Formal_Charge	0
527031	Hydrogen_Bond_Donor_Count	0
96809	Covalent_Unit_Count	1
53326398	Structure_Complexity	1110
3899541	XLogP3-AA	0.1
5424	TPSA	115
4411	Defined_Bond_Stereo_Count	0
12363650	Mono_Isotopic_Weight	115.026943022
16132954	Rotatable_Bond_Count	51
24848323	Structure_Complexity	218
6383	Exact_Mass	195.82490
20335	Undefined_Atom_Stereo_Count	0
9895194	XLogP3-AA	4.8
57399910	Total_Formal_Charge	0
12302653	Hydrogen_Bond_Donor_Count	8
54326118	Rotatable_Bond_Count	2
22556	XLogP3	4.6
74682	Undefined_Atom_Stereo_Count	0
14121451	XLogP3-AA	0
357772	Undefined_Bond_Stereo_Count	0
3012	Defined_Atom_Stereo_Count	0
25021359	Structure_Complexity	233
71158	Hydrogen_Bond_Donor_Count	2
23087	Undefined_Atom_Stereo_Count	0
6740	Mono_Isotopic_Weight	171.0087061
10953456	Undefined_Atom_Stereo_Count	0
13438401	Non-hydrogen_Atom_Count	8
8097	Defined_Atom_Stereo_Count	0
21889100	Mono_Isotopic_Weight	453.278012748
10462	Hydrogen_Bond_Donor_Count	2
2795565	Molecular_Weight	224.05
3478	Rotatable_Bond_Count	7
14416612	Non-hydrogen_Atom_Count	8
12989	XLogP3-AA	0.6
23685289	Non-hydrogen_Atom_Count	9
545830	Isotope_Atom_Count	0
13595226	Structure_Complexity	109
63964	Covalent_Unit_Count	1
6435397	Structure_Complexity	451
118163156	XLogP3-AA	5.9
61583	Molecular_Weight	247.33
61896	Isotope_Atom_Count	0
5487713	Defined_Bond_Stereo_Count	1
2085	Structure_Complexity	1030
447573	Undefined_Bond_Stereo_Count	0
10727124	Defined_Atom_Stereo_Count	0
74735	Hydrogen_Bond_Donor_Count	0
29373	Isotope_Atom_Count	0
100969894	Non-hydrogen_Atom_Count	8
8172	Undefined_Atom_Stereo_Count	0
6410621	Undefined_Atom_Stereo_Count	0
66615626	Defined_Bond_Stereo_Count	0
135951	Molecular_Weight	279.27
54682511	Undefined_Bond_Stereo_Count	0
85573191	Hydrogen_Bond_Acceptor_Count	2
122553	Structure_Complexity	372
13945	Tautomer_Count	3
15457	Rotatable_Bond_Count	4
6914	Tautomer_Count	1
14505	Mono_Isotopic_Weight	110.036779430
10254700	Mono_Isotopic_Weight	483.04035
59704100	Undefined_Atom_Stereo_Count	2
683214	Exact_Mass	315.12190603
12224251	Molecular_Weight	112.13
46936995	Exact_Mass	246.05045443
11287722	Tautomer_Count	3
14459508	Undefined_Atom_Stereo_Count	1
12919209	Exact_Mass	85.089149355
87064	Exact_Mass	195.162314293
56841939	Total_Formal_Charge	0
445858	Covalent_Unit_Count	1
79161	Hydrogen_Bond_Acceptor_Count	3
43672	Undefined_Bond_Stereo_Count	0
2724248	Mono_Isotopic_Weight	260.08067248
15580	Non-hydrogen_Atom_Count	17
1153439	Hydrogen_Bond_Acceptor_Count	6
5462077	Total_Formal_Charge	0
4789	Undefined_Bond_Stereo_Count	0
274074	Molecular_Weight	362.5
25273227	Hydrogen_Bond_Donor_Count	1
122640	Covalent_Unit_Count	1
447249	Isotope_Atom_Count	0
440005	Defined_Atom_Stereo_Count	1
21917311	TPSA	169
94671	Hydrogen_Bond_Acceptor_Count	2
10923804	Structure_Complexity	240
71453618	Exact_Mass	392.0927701
595161	XLogP3-AA	1.7
49721	Hydrogen_Bond_Donor_Count	0
59525132	Hydrogen_Bond_Acceptor_Count	2
131411	Defined_Atom_Stereo_Count	0
3751958	Undefined_Atom_Stereo_Count	1
4117	Structure_Complexity	138
601293	TPSA	48.5
96517	Covalent_Unit_Count	1
20055404	Covalent_Unit_Count	2
8125	Mono_Isotopic_Weight	112.125200510
701186	Non-hydrogen_Atom_Count	21
24770445	Undefined_Bond_Stereo_Count	0
60196379	Undefined_Atom_Stereo_Count	0
123969717	XLogP3-AA	0.6
248703	TPSA	46
793266	Mono_Isotopic_Weight	262.0621387
9810709	Undefined_Atom_Stereo_Count	0
76054	Hydrogen_Bond_Donor_Count	1
54033586	Rotatable_Bond_Count	1
119544	Hydrogen_Bond_Acceptor_Count	3
151318	Mono_Isotopic_Weight	294.99747
123494194	Covalent_Unit_Count	1
22805729	Molecular_Weight	464.5
11207217	Isotope_Atom_Count	0
11574877	Isotope_Atom_Count	0
422780	TPSA	32.3
71160	Molecular_Weight	258.35
20653386	Undefined_Atom_Stereo_Count	2
20279146	Covalent_Unit_Count	1
9841259	Structure_Complexity	472
441921	Structure_Complexity	1700
11908490	Undefined_Atom_Stereo_Count	0
8794	Hydrogen_Bond_Acceptor_Count	1
2763134	Structure_Complexity	90.5
191468	Molecular_Weight	181.15
448537	Mono_Isotopic_Weight	268.146329876
2922	Undefined_Bond_Stereo_Count	2
36833	Rotatable_Bond_Count	14
4762	Defined_Atom_Stereo_Count	0
62140646	Hydrogen_Bond_Donor_Count	0
5462212	Exact_Mass	919.23532538
41097873	Rotatable_Bond_Count	0
82343	Defined_Atom_Stereo_Count	0
75472	Covalent_Unit_Count	1
10498206	Rotatable_Bond_Count	8
3000346	Hydrogen_Bond_Donor_Count	3
10326	Undefined_Atom_Stereo_Count	0
135509147	TPSA	248
24877	Undefined_Atom_Stereo_Count	0
101049151	Undefined_Bond_Stereo_Count	0
9828626	XLogP3	13.5
50769	Hydrogen_Bond_Acceptor_Count	4
24180686	Rotatable_Bond_Count	17
794	Defined_Atom_Stereo_Count	0
227927	Molecular_Weight	97.08
144147883	Hydrogen_Bond_Donor_Count	1
9472	Defined_Bond_Stereo_Count	0
138059742	Undefined_Bond_Stereo_Count	0
56679001	Structure_Complexity	586
77	Undefined_Bond_Stereo_Count	0
23727689	Hydrogen_Bond_Donor_Count	1
8730	Undefined_Atom_Stereo_Count	0
24154	Defined_Bond_Stereo_Count	0
102600842	Structure_Complexity	457
10608	Mono_Isotopic_Weight	376.03236198
440864	Defined_Atom_Stereo_Count	1
517361	Exact_Mass	101.1011942
134056	Rotatable_Bond_Count	7
139062527	Structure_Complexity	368
122172945	TPSA	279
443935	Rotatable_Bond_Count	0
9819610	Total_Formal_Charge	0
3033637	Non-hydrogen_Atom_Count	21
139036175	TPSA	173
3106	Defined_Bond_Stereo_Count	0
29685	Defined_Atom_Stereo_Count	0
19935266	Mono_Isotopic_Weight	98.048012819
550811	Covalent_Unit_Count	1
13347991	Molecular_Weight	108.18
87901	Undefined_Atom_Stereo_Count	0
13831	Rotatable_Bond_Count	9
448400	Undefined_Bond_Stereo_Count	0
9856149	Molecular_Weight	238.37
36606	Defined_Bond_Stereo_Count	0
21184953	Undefined_Bond_Stereo_Count	0
162302	TPSA	41.5
123600	Covalent_Unit_Count	1
73306	Undefined_Atom_Stereo_Count	0
6056	Undefined_Atom_Stereo_Count	0
13662	Exact_Mass	173.047678466
441347	Rotatable_Bond_Count	7
164668700	Exact_Mass	110.036779430
15765924	Covalent_Unit_Count	1
19044091	Hydrogen_Bond_Donor_Count	3
18944758	Defined_Bond_Stereo_Count	0
3763520	Rotatable_Bond_Count	3
66425	Hydrogen_Bond_Acceptor_Count	2
11059434	Rotatable_Bond_Count	5
44144517	Defined_Atom_Stereo_Count	1
83556	Total_Formal_Charge	0
91469693	Exact_Mass	96.057514874
20831	Tautomer_Count	1
84647652	TPSA	58.9
21282995	Isotope_Atom_Count	0
9813985	Structure_Complexity	327
90843502	Undefined_Bond_Stereo_Count	0
15951484	Defined_Atom_Stereo_Count	0
170993	Non-hydrogen_Atom_Count	11
10044510	Hydrogen_Bond_Donor_Count	1
10080510	Total_Formal_Charge	0
664338	XLogP3-AA	4.8
10067787	Molecular_Weight	370.9
222548	Covalent_Unit_Count	1
16497	Mono_Isotopic_Weight	152.083729621
9917013	XLogP3-AA	4.4
72200668	Molecular_Weight	317.36
72199381	Defined_Bond_Stereo_Count	0
53318409	Rotatable_Bond_Count	3
74889149	Mono_Isotopic_Weight	113.084063974
23831	Undefined_Bond_Stereo_Count	0
5429	Non-hydrogen_Atom_Count	13
46216796	XLogP3-AA	3.8
56841980	Molecular_Weight	744.7
75982	Covalent_Unit_Count	1
54236977	Total_Formal_Charge	0
8523	TPSA	23.6
40466954	Total_Formal_Charge	1
519186	Isotope_Atom_Count	0
129860447	Molecular_Weight	87.12
9847	Exact_Mass	92.04375652
503	TPSA	98.2
23892	Molecular_Weight	360.1
123224323	Non-hydrogen_Atom_Count	7
154266294	Rotatable_Bond_Count	1
491728	Structure_Complexity	553
74724	Defined_Bond_Stereo_Count	0
75842	XLogP3-AA	2.5
15643399	Defined_Atom_Stereo_Count	0
5824382	Isotope_Atom_Count	0
10316	Undefined_Atom_Stereo_Count	0
25011729	Undefined_Atom_Stereo_Count	0
6919629	Defined_Bond_Stereo_Count	0
2909	Total_Formal_Charge	0
23642227	TPSA	139
13757963	Covalent_Unit_Count	1
104760	Covalent_Unit_Count	1
10129911	Undefined_Atom_Stereo_Count	1
91820403	Defined_Bond_Stereo_Count	0
928	Structure_Complexity	1230
12343	Undefined_Atom_Stereo_Count	0
9973	Tautomer_Count	1
69245	Tautomer_Count	1
121410806	Structure_Complexity	746
154419142	Rotatable_Bond_Count	1
72884	TPSA	58.2
5240	Structure_Complexity	42.9
3208	Rotatable_Bond_Count	16
14160348	Non-hydrogen_Atom_Count	8
2992	Covalent_Unit_Count	1
58490287	Non-hydrogen_Atom_Count	8
61553086	Undefined_Bond_Stereo_Count	0
122449120	Hydrogen_Bond_Acceptor_Count	2
45116679	Hydrogen_Bond_Acceptor_Count	1
253276	Defined_Atom_Stereo_Count	0
12671579	TPSA	53
68116	Defined_Atom_Stereo_Count	0
406167	Covalent_Unit_Count	1
123516214	Total_Formal_Charge	0
87905888	Hydrogen_Bond_Donor_Count	2
13424663	Undefined_Atom_Stereo_Count	0
44554	Exact_Mass	527.17914612
10214379	Rotatable_Bond_Count	0
147707442	TPSA	190
8739	Undefined_Bond_Stereo_Count	0
134495	Rotatable_Bond_Count	6
31348	Defined_Bond_Stereo_Count	0
2520	Mono_Isotopic_Weight	454.28315770
129668601	Isotope_Atom_Count	0
82441	Structure_Complexity	385
127657	Undefined_Atom_Stereo_Count	1
10081060	Hydrogen_Bond_Donor_Count	5
6324599	TPSA	159
54700	Hydrogen_Bond_Acceptor_Count	4
11635721	Total_Formal_Charge	0
9852981	Tautomer_Count	34
10375	Mono_Isotopic_Weight	258.08920892
38350	Isotope_Atom_Count	0
14385	Undefined_Atom_Stereo_Count	0
9161	Hydrogen_Bond_Donor_Count	0
336805	Rotatable_Bond_Count	11
3035016	Molecular_Weight	483.5
53974092	TPSA	43.1
21364	Total_Formal_Charge	0
53385579	Undefined_Atom_Stereo_Count	1
532928	XLogP3-AA	10.6
21903	Defined_Bond_Stereo_Count	0
517106	TPSA	58.7
13101	Covalent_Unit_Count	1
70724	Hydrogen_Bond_Donor_Count	0
5280881	Exact_Mass	334.21440943
6074	XLogP3	5.2
10198397	TPSA	91.7
447661	Covalent_Unit_Count	1
11418570	Tautomer_Count	1
135404289	Mono_Isotopic_Weight	782.43484774
3239844	Undefined_Atom_Stereo_Count	0
5282387	Undefined_Bond_Stereo_Count	0
9884817	Non-hydrogen_Atom_Count	25
35384	Defined_Bond_Stereo_Count	0
16741	Covalent_Unit_Count	1
95125	Mono_Isotopic_Weight	284.11609238
10439034	Undefined_Atom_Stereo_Count	1
15133384	Isotope_Atom_Count	0
139087394	Defined_Bond_Stereo_Count	0
47795	XLogP3-AA	1.8
12302675	Hydrogen_Bond_Acceptor_Count	11
9883029	Undefined_Bond_Stereo_Count	0
315341	Molecular_Weight	173.17
9457	Defined_Atom_Stereo_Count	2
134694738	Structure_Complexity	514
24900426	Isotope_Atom_Count	0
146681110	Non-hydrogen_Atom_Count	73
2978	Defined_Bond_Stereo_Count	0
12155512	Total_Formal_Charge	0
64017	Defined_Atom_Stereo_Count	0
115163	Undefined_Bond_Stereo_Count	0
53405	Hydrogen_Bond_Donor_Count	2
6857664	Isotope_Atom_Count	0
45116668	Rotatable_Bond_Count	1
135402009	Total_Formal_Charge	0
6432469	Tautomer_Count	3
16760153	Hydrogen_Bond_Donor_Count	0
60452	Undefined_Atom_Stereo_Count	0
146681110	Total_Formal_Charge	0
5388937	Covalent_Unit_Count	1
838267	Exact_Mass	229.0294416
87595695	Rotatable_Bond_Count	3
36606	Defined_Atom_Stereo_Count	0
9864348	Isotope_Atom_Count	0
141343693	Molecular_Weight	113.16
92129	Structure_Complexity	614
102	Molecular_Weight	124.14
2051	Undefined_Bond_Stereo_Count	0
814155	Rotatable_Bond_Count	5
21847	Mono_Isotopic_Weight	362.199428076
7450	XLogP3	4.8
39985	Mono_Isotopic_Weight	340.0269143
3084849	TPSA	58.3
71567	Rotatable_Bond_Count	3
49864536	Mono_Isotopic_Weight	306.1247389
10498042	Exact_Mass	350.15180918
322	Structure_Complexity	178
826477	TPSA	6.5
436497	Isotope_Atom_Count	0
6440554	Structure_Complexity	736
198061	TPSA	49.8
9075	Tautomer_Count	1
11684684	Molecular_Weight	496.0
71305060	Isotope_Atom_Count	0
16204922	Defined_Atom_Stereo_Count	0
71835	Isotope_Atom_Count	0
153241	Defined_Atom_Stereo_Count	1
140722947	Total_Formal_Charge	0
5328791	Isotope_Atom_Count	0
23952	Hydrogen_Bond_Donor_Count	0
5767	Total_Formal_Charge	0
139087624	Defined_Atom_Stereo_Count	14
71812105	Undefined_Atom_Stereo_Count	1
885569	Mono_Isotopic_Weight	264.982797
57999543	Exact_Mass	100.100048391
5019	Total_Formal_Charge	0
585174	Covalent_Unit_Count	1
59867303	Non-hydrogen_Atom_Count	8
45656	Isotope_Atom_Count	0
137348308	Hydrogen_Bond_Donor_Count	1
6213	Exact_Mass	94.00885060
44338843	Hydrogen_Bond_Donor_Count	3
35922	Undefined_Bond_Stereo_Count	0
12465658	Total_Formal_Charge	0
108956	XLogP3-AA	2
18622372	Molecular_Weight	111.10
12550332	Hydrogen_Bond_Donor_Count	1
123811308	Hydrogen_Bond_Donor_Count	0
46193082	Hydrogen_Bond_Acceptor_Count	0
17977495	Molecular_Weight	92.03
5783	Undefined_Bond_Stereo_Count	0
11440685	Mono_Isotopic_Weight	390.16785316
1022	Mono_Isotopic_Weight	312.137496527
10942665	TPSA	43.4
68602	TPSA	28.7
28207	Rotatable_Bond_Count	3
12698	Hydrogen_Bond_Acceptor_Count	2
15951489	XLogP3-AA	2.5
9037	Tautomer_Count	1
153127831	Defined_Bond_Stereo_Count	0
10616	Undefined_Bond_Stereo_Count	0
97297	Molecular_Weight	392.15
163798512	Hydrogen_Bond_Donor_Count	7
107947	Hydrogen_Bond_Donor_Count	4
642325	Covalent_Unit_Count	1
5986	Hydrogen_Bond_Donor_Count	1
98026	Undefined_Atom_Stereo_Count	2
69117541	Covalent_Unit_Count	1
562683	Mono_Isotopic_Weight	338.0709720
54515893	Non-hydrogen_Atom_Count	8
11985	Rotatable_Bond_Count	0
56841558	Molecular_Weight	1477.9
30550	Hydrogen_Bond_Donor_Count	0
557134	Defined_Atom_Stereo_Count	0
136378	Mono_Isotopic_Weight	68.062600255
54679016	Mono_Isotopic_Weight	373.22530847
45358001	Total_Formal_Charge	0
15072854	Molecular_Weight	113.16
11949597	XLogP3-AA	1.5
14656672	Mono_Isotopic_Weight	86.048012819
58232624	Hydrogen_Bond_Donor_Count	0
156963264	Defined_Atom_Stereo_Count	0
145994868	Molecular_Weight	3283.6
6538980	Non-hydrogen_Atom_Count	30
7221	Non-hydrogen_Atom_Count	9
11167	Defined_Bond_Stereo_Count	0
2794133	Exact_Mass	315.08552052
1069	Hydrogen_Bond_Acceptor_Count	2
136335	Structure_Complexity	30.5
93680	Mono_Isotopic_Weight	430.37705808
13385	Rotatable_Bond_Count	0
24180972	Isotope_Atom_Count	0
12567226	Defined_Bond_Stereo_Count	0
11450	XLogP3	3.3
1712058	Structure_Complexity	199
422052	Undefined_Bond_Stereo_Count	0
32069	Tautomer_Count	1
5366925	Mono_Isotopic_Weight	188.9748192
15222	Exact_Mass	253.204179104
12546498	Defined_Atom_Stereo_Count	2
527072	Undefined_Bond_Stereo_Count	0
94462	Molecular_Weight	257.83
15547703	Hydrogen_Bond_Acceptor_Count	6
520660	Covalent_Unit_Count	1
18622	Molecular_Weight	238.28
150901	Rotatable_Bond_Count	1
21679899	Molecular_Weight	98.14
444031	Hydrogen_Bond_Acceptor_Count	3
11450	Rotatable_Bond_Count	1
547785	Exact_Mass	120.078644241
129395999	Molecular_Weight	293.4
11317	TPSA	0
126737575	Exact_Mass	112.027277375
143051390	Mono_Isotopic_Weight	99.068413911
8407	XLogP3	3.7
12754038	Isotope_Atom_Count	0
57662	Undefined_Atom_Stereo_Count	0
44321290	Mono_Isotopic_Weight	548.35151204
14592758	Covalent_Unit_Count	1
122087	Hydrogen_Bond_Donor_Count	1
71165	Covalent_Unit_Count	1
11366997	Non-hydrogen_Atom_Count	8
699570	Undefined_Bond_Stereo_Count	0
75282	Molecular_Weight	170.16
11870469	Mono_Isotopic_Weight	304.15488318
2679179	Molecular_Weight	251.3
3299	Total_Formal_Charge	0
5187	Mono_Isotopic_Weight	824.34346653
10972974	Rotatable_Bond_Count	12
19754954	Mono_Isotopic_Weight	100.100048391
53990264	Defined_Bond_Stereo_Count	0
22866	Hydrogen_Bond_Acceptor_Count	14
9854073	Isotope_Atom_Count	0
49	Hydrogen_Bond_Acceptor_Count	3
8670	Defined_Bond_Stereo_Count	0
115107	XLogP3	2
1343	Rotatable_Bond_Count	2
59755737	Covalent_Unit_Count	1
3687	Hydrogen_Bond_Donor_Count	3
5203	Hydrogen_Bond_Donor_Count	1
528	Non-hydrogen_Atom_Count	11
10603	Molecular_Weight	302.28
111332	Exact_Mass	386.20932405
12002774	Defined_Bond_Stereo_Count	0
3067	Exact_Mass	561.29511936
22335779	XLogP3-AA	0
17827145	Non-hydrogen_Atom_Count	7
690109	Covalent_Unit_Count	1
637511	Non-hydrogen_Atom_Count	10
12678417	Hydrogen_Bond_Acceptor_Count	2
8602	Molecular_Weight	211.64
22731	Hydrogen_Bond_Donor_Count	0
12871715	XLogP3-AA	0.8
20469	Total_Formal_Charge	0
22379495	Total_Formal_Charge	0
11263727	Structure_Complexity	236
25335	Exact_Mass	199.157228913
12289998	Exact_Mass	116.047344113
70682214	Mono_Isotopic_Weight	443.17058756
134694652	Defined_Bond_Stereo_Count	1
3000241	Defined_Bond_Stereo_Count	0
98648	Tautomer_Count	1
9859365	Undefined_Bond_Stereo_Count	0
9415	Defined_Bond_Stereo_Count	0
5704083	Non-hydrogen_Atom_Count	23
118504287	Isotope_Atom_Count	0
71306404	Covalent_Unit_Count	1
12326432	Hydrogen_Bond_Donor_Count	1
85728	Covalent_Unit_Count	1
6578	Defined_Bond_Stereo_Count	0
62510	Exact_Mass	113.02992040
87325	Covalent_Unit_Count	1
102090390	Hydrogen_Bond_Acceptor_Count	0
62380	Defined_Bond_Stereo_Count	0
162955685	Molecular_Weight	342.30
10038849	Hydrogen_Bond_Acceptor_Count	2
67314475	Undefined_Atom_Stereo_Count	0
71833	Exact_Mass	243.0662210
443404	Total_Formal_Charge	0
593369	Molecular_Weight	305.4
644020	Rotatable_Bond_Count	0
44392074	Structure_Complexity	752
68238	Total_Formal_Charge	0
59899303	Defined_Atom_Stereo_Count	0
71237	Undefined_Atom_Stereo_Count	0
79724	Hydrogen_Bond_Acceptor_Count	8
44431182	Covalent_Unit_Count	1
154496967	Undefined_Atom_Stereo_Count	0
53238011	Hydrogen_Bond_Donor_Count	2
90703052	Hydrogen_Bond_Donor_Count	0
23672064	Exact_Mass	119.95883982
12226	Covalent_Unit_Count	1
20774103	Rotatable_Bond_Count	0
33360	Exact_Mass	286.08749484
44563178	XLogP3-AA	2.9
6857536	Undefined_Bond_Stereo_Count	0
12895043	Hydrogen_Bond_Acceptor_Count	3
69061828	Mono_Isotopic_Weight	108.057514874
112	Molecular_Weight	213.06
15606	Isotope_Atom_Count	0
16293	Non-hydrogen_Atom_Count	14
9806299	Exact_Mass	508.0924953
101989	Defined_Atom_Stereo_Count	7
99129	Defined_Bond_Stereo_Count	0
49865963	Hydrogen_Bond_Donor_Count	4
13334303	Covalent_Unit_Count	1
86015	XLogP3-AA	2.7
119584	Defined_Bond_Stereo_Count	0
25306	Structure_Complexity	225
92444	Molecular_Weight	338.9
21677759	Molecular_Weight	302.34
10788	Hydrogen_Bond_Acceptor_Count	3
13177014	Isotope_Atom_Count	0
23278031	Isotope_Atom_Count	0
10582773	Total_Formal_Charge	0
1712087	XLogP3-AA	2.9
71773	Exact_Mass	499.16984474
67322	Rotatable_Bond_Count	11
15098	Exact_Mass	348.183904
11372270	TPSA	123
60668	Covalent_Unit_Count	1
5479052	XLogP3-AA	2.6
157209529	Total_Formal_Charge	0
22132384	Total_Formal_Charge	0
59350891	Exact_Mass	92.062600255
21958	Undefined_Atom_Stereo_Count	0
129653817	Structure_Complexity	98.2
288862	Hydrogen_Bond_Acceptor_Count	0
748	TPSA	247
45116667	Structure_Complexity	82.6
40632	Hydrogen_Bond_Donor_Count	0
74405857	Isotope_Atom_Count	0
659063	Structure_Complexity	579
44119664	Total_Formal_Charge	0
90708518	Defined_Bond_Stereo_Count	0
51352361	Hydrogen_Bond_Acceptor_Count	7
78931	TPSA	54.7
3598	TPSA	40.5
12933280	Undefined_Bond_Stereo_Count	0
55289163	Mono_Isotopic_Weight	114.079312947
529432	Covalent_Unit_Count	1
5367760	Undefined_Bond_Stereo_Count	0
636908	Hydrogen_Bond_Acceptor_Count	9
18450355	Molecular_Weight	101.15
4843	Defined_Bond_Stereo_Count	0
6327580	Isotope_Atom_Count	0
132399083	Undefined_Atom_Stereo_Count	0
1241420	Defined_Atom_Stereo_Count	1
485083	Structure_Complexity	78.1
4217966	Covalent_Unit_Count	1
50923	Undefined_Bond_Stereo_Count	0
13445118	Total_Formal_Charge	0
67066652	Molecular_Weight	116.11
758	Hydrogen_Bond_Donor_Count	20
10107393	Non-hydrogen_Atom_Count	19
9859093	Molecular_Weight	204.31
6850813	Total_Formal_Charge	0
4989	Structure_Complexity	248
444614	Rotatable_Bond_Count	4
2356	Structure_Complexity	458
14517	Defined_Atom_Stereo_Count	0
12309520	Non-hydrogen_Atom_Count	24
4903	Undefined_Bond_Stereo_Count	0
80230	Hydrogen_Bond_Acceptor_Count	3
15661697	Molecular_Weight	114.10
3054609	TPSA	159
71007	Mono_Isotopic_Weight	199.136099547
9797919	Defined_Atom_Stereo_Count	0
11174789	Defined_Bond_Stereo_Count	0
62672	Mono_Isotopic_Weight	177.0061714
4713	Rotatable_Bond_Count	2
69578	Rotatable_Bond_Count	0
45050619	Rotatable_Bond_Count	4
40466884	Total_Formal_Charge	1
76852230	Isotope_Atom_Count	0
10485	Hydrogen_Bond_Donor_Count	0
10251906	Mono_Isotopic_Weight	427.06444
158348	Hydrogen_Bond_Donor_Count	1
141411141	Isotope_Atom_Count	0
14681325	TPSA	9.2
7341	Exact_Mass	116.083729621
72758138	Covalent_Unit_Count	1
31863	Hydrogen_Bond_Acceptor_Count	25
90532	Covalent_Unit_Count	1
13896532	Undefined_Bond_Stereo_Count	0
135837103	XLogP3-AA	0.1
6114	Isotope_Atom_Count	0
69337	Isotope_Atom_Count	0
13432441	Hydrogen_Bond_Donor_Count	2
101602193	Hydrogen_Bond_Acceptor_Count	4
3003870	TPSA	132
5280961	Mono_Isotopic_Weight	270.05282342
67518639	Defined_Bond_Stereo_Count	0
5111791	Mono_Isotopic_Weight	153.053826475
74652199	Structure_Complexity	215
9898279	Isotope_Atom_Count	0
31097	Hydrogen_Bond_Donor_Count	1
18995710	Defined_Atom_Stereo_Count	0
139061810	Defined_Bond_Stereo_Count	0
10234	Undefined_Bond_Stereo_Count	0
44455404	Hydrogen_Bond_Acceptor_Count	8
8217	Non-hydrogen_Atom_Count	18
22630	Molecular_Weight	299.7
72886	Total_Formal_Charge	0
59772685	Total_Formal_Charge	0
18223	Molecular_Weight	201.84
70693500	Total_Formal_Charge	0
5622	Undefined_Atom_Stereo_Count	5
137727	Defined_Atom_Stereo_Count	0
135409471	Defined_Bond_Stereo_Count	0
86691500	Exact_Mass	164.076974926
96389	Hydrogen_Bond_Donor_Count	1
60196352	Undefined_Bond_Stereo_Count	0
71663312	Hydrogen_Bond_Acceptor_Count	7
13095	Total_Formal_Charge	0
14405752	Hydrogen_Bond_Acceptor_Count	3
46174141	Undefined_Atom_Stereo_Count	0
97577	Non-hydrogen_Atom_Count	17
5310967	XLogP3	1.1
826870	XLogP3-AA	2.9
123891134	Undefined_Atom_Stereo_Count	4
107526	Total_Formal_Charge	0
68201	Molecular_Weight	225.35
5311018	Total_Formal_Charge	0
3012	Non-hydrogen_Atom_Count	33
21322048	TPSA	17.1
12254	Non-hydrogen_Atom_Count	6
68843	Total_Formal_Charge	0
16700308	Hydrogen_Bond_Donor_Count	0
53682689	TPSA	17.1
136516	Tautomer_Count	1
59169	Non-hydrogen_Atom_Count	20
48000	Rotatable_Bond_Count	16
6536864	Undefined_Atom_Stereo_Count	0
8836	Total_Formal_Charge	0
19734140	Defined_Atom_Stereo_Count	0
6763	Undefined_Bond_Stereo_Count	0
12625720	Undefined_Atom_Stereo_Count	2
15559706	Mono_Isotopic_Weight	385.816009
44119936	Defined_Bond_Stereo_Count	5
5625	Structure_Complexity	749
71234	Rotatable_Bond_Count	5
855860	Mono_Isotopic_Weight	285.11134135
20702319	Molecular_Weight	113.16
10888095	Molecular_Weight	152.19
45456	Molecular_Weight	291.5
11623676	Isotope_Atom_Count	0
88735	Undefined_Atom_Stereo_Count	0
133429	Structure_Complexity	191
21070	XLogP3	7
132276561	Hydrogen_Bond_Acceptor_Count	12
37270	Mono_Isotopic_Weight	421.779623
18713388	Non-hydrogen_Atom_Count	8
5324776	Undefined_Atom_Stereo_Count	0
53427	Defined_Bond_Stereo_Count	0
21572608	Structure_Complexity	63.5
145802	Defined_Atom_Stereo_Count	0
81129	Non-hydrogen_Atom_Count	9
45076013	Total_Formal_Charge	0
52361	Rotatable_Bond_Count	7
55289181	Undefined_Bond_Stereo_Count	0
6610296	Hydrogen_Bond_Donor_Count	5
9508	XLogP3-AA	0
12304	Hydrogen_Bond_Donor_Count	0
136951315	Covalent_Unit_Count	2
37907	Hydrogen_Bond_Acceptor_Count	3
21313003	Total_Formal_Charge	0
10564696	Tautomer_Count	1
9793733	Defined_Bond_Stereo_Count	0
375814	Defined_Bond_Stereo_Count	0
16213884	TPSA	111
12675	Hydrogen_Bond_Donor_Count	0
5311312	Structure_Complexity	2220
13348970	TPSA	67.2
24958528	Structure_Complexity	757
31842	Undefined_Bond_Stereo_Count	0
2816105	Mono_Isotopic_Weight	313.13611680
9818479	Mono_Isotopic_Weight	203.105862047
62403	Molecular_Weight	712.7
51397515	Mono_Isotopic_Weight	545.09131438
12560	Undefined_Atom_Stereo_Count	0
163455192	Undefined_Atom_Stereo_Count	1
71406	XLogP3-AA	9.9
5813717	Undefined_Atom_Stereo_Count	0
33477	Structure_Complexity	774
53241445	Mono_Isotopic_Weight	353.12880293
6422232	Defined_Bond_Stereo_Count	0
51047	Rotatable_Bond_Count	0
16051947	Mono_Isotopic_Weight	809.4480897
89074	Molecular_Weight	377.06
98618760	Defined_Atom_Stereo_Count	10
44563068	Isotope_Atom_Count	0
67979346	Non-hydrogen_Atom_Count	31
537396	XLogP3-AA	0
440175	Defined_Bond_Stereo_Count	0
439215	Defined_Atom_Stereo_Count	4
5463153	Hydrogen_Bond_Donor_Count	0
64334	Hydrogen_Bond_Acceptor_Count	2
134688093	Exact_Mass	804.46599222
77022	Total_Formal_Charge	0
24820357	TPSA	12
132095682	Hydrogen_Bond_Acceptor_Count	3
9960569	Undefined_Atom_Stereo_Count	0
803776	Isotope_Atom_Count	0
42552712	Hydrogen_Bond_Acceptor_Count	11
23675746	Undefined_Atom_Stereo_Count	3
156428	Hydrogen_Bond_Donor_Count	4
129846595	Molecular_Weight	1170.0
57000164	XLogP3-AA	0.5
51030901	Isotope_Atom_Count	0
1550470	Isotope_Atom_Count	0
297777	Hydrogen_Bond_Acceptor_Count	6
56661920	Rotatable_Bond_Count	10
153986581	XLogP3-AA	0.1
13004	Defined_Atom_Stereo_Count	0
26955	Exact_Mass	192.151415257
6503	Tautomer_Count	1
62379	Hydrogen_Bond_Donor_Count	0
557021	Undefined_Bond_Stereo_Count	0
28417	TPSA	46.3
71474517	Undefined_Atom_Stereo_Count	0
88547262	Undefined_Bond_Stereo_Count	0
60767	Exact_Mass	432.2179706
1894	Defined_Atom_Stereo_Count	0
287350	Covalent_Unit_Count	1
5281227	XLogP3-AA	11.4
11800	Non-hydrogen_Atom_Count	16
32247	Mono_Isotopic_Weight	337.16126892
25188420	Structure_Complexity	184
123415454	Exact_Mass	97.089149355
347477	Non-hydrogen_Atom_Count	8
57121306	Defined_Bond_Stereo_Count	0
5281516	Non-hydrogen_Atom_Count	15
5158	Exact_Mass	1288.65643130
12231382	TPSA	9.2
96356	Defined_Atom_Stereo_Count	0
439524	Defined_Bond_Stereo_Count	0
15092989	Undefined_Bond_Stereo_Count	0
40467895	Mono_Isotopic_Weight	610.13631276
69311	Mono_Isotopic_Weight	190.15689456
851992	Isotope_Atom_Count	0
2346	Exact_Mass	149.02992040
233552	Rotatable_Bond_Count	4
74320	Exact_Mass	412.84097
32427	Structure_Complexity	382
223464	Defined_Bond_Stereo_Count	0
3442	Rotatable_Bond_Count	4
21791633	Total_Formal_Charge	0
5360545	TPSA	0
135823198	Undefined_Atom_Stereo_Count	1
5284656	Hydrogen_Bond_Acceptor_Count	2
5311243	XLogP3-AA	4
61810	Molecular_Weight	188.27
119342	Structure_Complexity	555
15903	Exact_Mass	114.068079557
122163231	Mono_Isotopic_Weight	108.99862027
129654248	TPSA	15.4
67507057	Covalent_Unit_Count	1
3036824	Exact_Mass	825.3868268
14944519	Structure_Complexity	413
46853632	Isotope_Atom_Count	0
925253	Rotatable_Bond_Count	7
57656729	Defined_Atom_Stereo_Count	0
238	Mono_Isotopic_Weight	506.99574658
23199087	Exact_Mass	92.037448136
61749380	Rotatable_Bond_Count	2
53734710	Molecular_Weight	61.06
549876	Undefined_Atom_Stereo_Count	0
71583049	TPSA	113
1218	Structure_Complexity	322
8698	XLogP3	3.8
37461	Hydrogen_Bond_Donor_Count	1
765378	Defined_Atom_Stereo_Count	0
136005230	Isotope_Atom_Count	0
54111	Molecular_Weight	290.12
44338763	Defined_Bond_Stereo_Count	0
17048	Defined_Bond_Stereo_Count	0
11647899	Defined_Bond_Stereo_Count	0
140988277	Defined_Bond_Stereo_Count	0
22613925	Covalent_Unit_Count	2
70732	XLogP3-AA	1.3
126667515	Rotatable_Bond_Count	2
10630437	Total_Formal_Charge	0
61029	Hydrogen_Bond_Acceptor_Count	3
3290	Exact_Mass	312.16601995
10633	Defined_Atom_Stereo_Count	7
219077	Hydrogen_Bond_Donor_Count	0
372	TPSA	101
26235	Isotope_Atom_Count	0
73246	Structure_Complexity	982
11627212	Structure_Complexity	515
71460852	Undefined_Atom_Stereo_Count	0
3086455	Defined_Bond_Stereo_Count	0
7587	Defined_Bond_Stereo_Count	0
4044	TPSA	49.3
610072	Molecular_Weight	222.37
11656518	Covalent_Unit_Count	1
1096	Mono_Isotopic_Weight	921.249292
131676243	Undefined_Atom_Stereo_Count	1
11147714	Hydrogen_Bond_Donor_Count	0
26081	Total_Formal_Charge	0
44577705	Non-hydrogen_Atom_Count	38
3878	Defined_Bond_Stereo_Count	0
80396	XLogP3-AA	2.8
136059	Rotatable_Bond_Count	0
469	Covalent_Unit_Count	1
24728635	Hydrogen_Bond_Acceptor_Count	4
9859692	Defined_Atom_Stereo_Count	0
3251	Undefined_Bond_Stereo_Count	0
22096568	Exact_Mass	63.02684640
1101	Non-hydrogen_Atom_Count	12
59296000	Non-hydrogen_Atom_Count	32
129628370	Defined_Bond_Stereo_Count	0
86220885	TPSA	26
11294	Structure_Complexity	516
71640	Rotatable_Bond_Count	4
57396213	Molecular_Weight	420.6
68365445	Mono_Isotopic_Weight	112.027277375
29051	Hydrogen_Bond_Donor_Count	11
20062226	Isotope_Atom_Count	0
85576	TPSA	33
22024864	Exact_Mass	99.068413911
70144	Hydrogen_Bond_Donor_Count	0
6828	Exact_Mass	268.157563266
337359	Exact_Mass	236.05972032
6051	Total_Formal_Charge	0
7951	Structure_Complexity	82.9
10027822	Molecular_Weight	473.5
5092	Non-hydrogen_Atom_Count	20
2655	TPSA	201
51346808	XLogP3-AA	3
58887274	Mono_Isotopic_Weight	114.104465066
5150303	Mono_Isotopic_Weight	330.0376063
120095	TPSA	20.2
127036660	Total_Formal_Charge	0
2801745	Total_Formal_Charge	0
992	Molecular_Weight	266.3
20530042	Isotope_Atom_Count	0
19366304	Total_Formal_Charge	0
451156	Rotatable_Bond_Count	2
91585	Molecular_Weight	244.25
93095	Structure_Complexity	127
12036417	Defined_Atom_Stereo_Count	0
3798	Defined_Bond_Stereo_Count	0
98070685	Total_Formal_Charge	1
10866248	Tautomer_Count	1
27670	Hydrogen_Bond_Donor_Count	0
17652	XLogP3	1.2
98943	TPSA	17.1
5068681	Hydrogen_Bond_Donor_Count	3
76324338	Defined_Bond_Stereo_Count	2
12358890	Hydrogen_Bond_Acceptor_Count	5
9964093	Total_Formal_Charge	0
129317940	Hydrogen_Bond_Acceptor_Count	7
6426699	Rotatable_Bond_Count	2
68953	Hydrogen_Bond_Donor_Count	0
81669	Non-hydrogen_Atom_Count	8
142775	Hydrogen_Bond_Donor_Count	4
129801083	Covalent_Unit_Count	1
69677	Molecular_Weight	134.06
70685697	XLogP3-AA	4.3
71837	Structure_Complexity	321
1087331	Hydrogen_Bond_Donor_Count	1
5282433	Total_Formal_Charge	0
13011288	Total_Formal_Charge	0
35726	Defined_Bond_Stereo_Count	0
21789	XLogP3-AA	1.2
36312	Tautomer_Count	1
4986139	Covalent_Unit_Count	1
160430	Total_Formal_Charge	0
157690	Undefined_Bond_Stereo_Count	0
10407	Exact_Mass	204.187800766
10838895	Hydrogen_Bond_Acceptor_Count	8
68958	Covalent_Unit_Count	1
19036	Total_Formal_Charge	0
92781	Total_Formal_Charge	0
549097	Rotatable_Bond_Count	0
69550	Total_Formal_Charge	0
34744	Rotatable_Bond_Count	0
965	Non-hydrogen_Atom_Count	20
92058	Total_Formal_Charge	0
644113	Isotope_Atom_Count	0
47027	Hydrogen_Bond_Acceptor_Count	1
96339	Tautomer_Count	2
443295	Total_Formal_Charge	0
83517	Molecular_Weight	492.43
3064778	Structure_Complexity	526
5159892	Structure_Complexity	193
76538	Defined_Bond_Stereo_Count	0
222199	TPSA	36.9
9282	Defined_Atom_Stereo_Count	0
21914506	Isotope_Atom_Count	0
4369579	Defined_Bond_Stereo_Count	0
3790357	Rotatable_Bond_Count	1
135438601	Covalent_Unit_Count	1
56927879	Exact_Mass	1442.70951898
8132	Hydrogen_Bond_Donor_Count	2
40472	Defined_Bond_Stereo_Count	0
338690	Exact_Mass	114.042927438
10892838	Total_Formal_Charge	0
37907	Structure_Complexity	335
23397	Non-hydrogen_Atom_Count	14
3646	Undefined_Atom_Stereo_Count	0
108144	Tautomer_Count	7
70003	TPSA	17.1
54584798	TPSA	51.2
81561	Molecular_Weight	160.21
14968486	Defined_Atom_Stereo_Count	0
3084849	Structure_Complexity	233
14018	Undefined_Atom_Stereo_Count	0
65065	Molecular_Weight	175.14
10050397	XLogP3	0.6
5438	Mono_Isotopic_Weight	178.04389344
61040	Hydrogen_Bond_Acceptor_Count	2
51055169	Molecular_Weight	498.5
92211533	Hydrogen_Bond_Acceptor_Count	7
15920061	Defined_Bond_Stereo_Count	0
219	Molecular_Weight	117.10
548353	Undefined_Atom_Stereo_Count	2
60796	Tautomer_Count	1
248333	Undefined_Bond_Stereo_Count	0
2734224	Covalent_Unit_Count	1
445	Rotatable_Bond_Count	4
18049	Hydrogen_Bond_Donor_Count	2
6433412	Undefined_Bond_Stereo_Count	0
74867	Exact_Mass	220.088815002
443600	Isotope_Atom_Count	0
107780	Isotope_Atom_Count	0
23643976	Defined_Bond_Stereo_Count	0
447213	Total_Formal_Charge	0
13435928	Hydrogen_Bond_Acceptor_Count	2
10962	Non-hydrogen_Atom_Count	5
96389	Covalent_Unit_Count	1
74086836	Hydrogen_Bond_Acceptor_Count	4
56643412	Isotope_Atom_Count	0
171409	Total_Formal_Charge	0
41772	TPSA	50.2
121599	Rotatable_Bond_Count	0
656615	Hydrogen_Bond_Donor_Count	2
11725766	Hydrogen_Bond_Acceptor_Count	3
10100083	Covalent_Unit_Count	1
5442	Undefined_Bond_Stereo_Count	0
58190643	Mono_Isotopic_Weight	86.067177410
14869	Structure_Complexity	266
53315818	TPSA	58.6
68888	Exact_Mass	187.12084340
688400	Undefined_Atom_Stereo_Count	0
57401682	Undefined_Atom_Stereo_Count	0
7017816	Hydrogen_Bond_Donor_Count	1
121232443	Structure_Complexity	472
9963057	Rotatable_Bond_Count	9
14829	Defined_Bond_Stereo_Count	0
15189029	Isotope_Atom_Count	0
129652979	Defined_Bond_Stereo_Count	0
32802	Covalent_Unit_Count	1
550687	Non-hydrogen_Atom_Count	7
46886975	Structure_Complexity	547
4692287	Exact_Mass	344.23514488
158793	Hydrogen_Bond_Acceptor_Count	5
143647928	Structure_Complexity	107
412163	Defined_Bond_Stereo_Count	0
354578	Covalent_Unit_Count	1
146156670	Hydrogen_Bond_Acceptor_Count	8
176595	Undefined_Bond_Stereo_Count	0
707035	Hydrogen_Bond_Donor_Count	2
9992	Structure_Complexity	74.4
520455	Hydrogen_Bond_Acceptor_Count	2
57077963	TPSA	33
444314	Defined_Bond_Stereo_Count	0
719625	TPSA	37.3
82161	Isotope_Atom_Count	0
418360	Structure_Complexity	325
347590	Molecular_Weight	180.27
31255	Defined_Atom_Stereo_Count	0
7460	XLogP3-AA	3.2
12210218	Exact_Mass	135.01427034
4171	Undefined_Bond_Stereo_Count	0
5852	Structure_Complexity	124
7095278	Mono_Isotopic_Weight	147.068413911
779	Total_Formal_Charge	0
134688510	Molecular_Weight	560.6
20782632	Hydrogen_Bond_Donor_Count	0
151114	Rotatable_Bond_Count	1
54153355	Molecular_Weight	249.69
3294	Molecular_Weight	241.24
33294	TPSA	60.8
134537	Mono_Isotopic_Weight	526.1441542
11647679	Hydrogen_Bond_Acceptor_Count	3
119499	Defined_Bond_Stereo_Count	0
23876	Defined_Atom_Stereo_Count	0
62414	Total_Formal_Charge	0
20653311	Non-hydrogen_Atom_Count	16
11715169	Isotope_Atom_Count	0
134129845	Exact_Mass	1039.43679229
129830033	Molecular_Weight	240.56
11073358	Covalent_Unit_Count	1
9883915	Hydrogen_Bond_Acceptor_Count	2
57454999	Undefined_Atom_Stereo_Count	2
119097350	Mono_Isotopic_Weight	96.057514874
6255	Defined_Atom_Stereo_Count	10
12494974	Hydrogen_Bond_Acceptor_Count	2
24180972	Covalent_Unit_Count	2
69698	Rotatable_Bond_Count	1
119058	Hydrogen_Bond_Donor_Count	0
6165177	XLogP3	1.7
3082460	Total_Formal_Charge	0
1211493	Total_Formal_Charge	0
52943292	Defined_Atom_Stereo_Count	1
63036	Undefined_Bond_Stereo_Count	0
12532	Isotope_Atom_Count	0
10350317	Undefined_Atom_Stereo_Count	0
6852374	Tautomer_Count	10
819	Hydrogen_Bond_Acceptor_Count	30
21059304	Mono_Isotopic_Weight	114.104465066
78013	Defined_Atom_Stereo_Count	0
7252	Undefined_Atom_Stereo_Count	0
8380	Mono_Isotopic_Weight	418.30830982
87090701	Covalent_Unit_Count	1
23358608	Mono_Isotopic_Weight	206.13405111
92649	Isotope_Atom_Count	0
8761	Undefined_Atom_Stereo_Count	0
49867832	Molecular_Weight	386.4
1488444	Structure_Complexity	519
5702161	Undefined_Atom_Stereo_Count	2
38854	Defined_Atom_Stereo_Count	0
20769	Hydrogen_Bond_Donor_Count	0
13069	Structure_Complexity	203
519112	Defined_Atom_Stereo_Count	0
25227436	Defined_Bond_Stereo_Count	0
51055169	Covalent_Unit_Count	1
3403	TPSA	82.7
11185	Defined_Atom_Stereo_Count	0
10126019	XLogP3-AA	2.4
16735405	Rotatable_Bond_Count	12
65820	TPSA	66.8
916113	Hydrogen_Bond_Acceptor_Count	4
7840	Rotatable_Bond_Count	1
72943	Isotope_Atom_Count	0
135564527	Undefined_Atom_Stereo_Count	0
174111	Mono_Isotopic_Weight	194.940932
91393578	Rotatable_Bond_Count	0
58258	Structure_Complexity	608
1615208	TPSA	70.1
154091501	Non-hydrogen_Atom_Count	8
15306	Isotope_Atom_Count	0
37983	Hydrogen_Bond_Acceptor_Count	2
80875	Exact_Mass	462.136827821
9994296	Defined_Bond_Stereo_Count	0
23724817	Isotope_Atom_Count	0
135396228	Hydrogen_Bond_Acceptor_Count	3
12709	Tautomer_Count	1
11620055	Molecular_Weight	487.0
708614	Isotope_Atom_Count	0
53846430	TPSA	60.7
7244	Tautomer_Count	3
72392	Mono_Isotopic_Weight	322.18523456
64247	Molecular_Weight	450.7
541197	Molecular_Weight	340.5
188802	Hydrogen_Bond_Donor_Count	3
55289700	Undefined_Atom_Stereo_Count	1
9518	Hydrogen_Bond_Donor_Count	0
68384915	TPSA	57.2
85540	Structure_Complexity	499
69236	Total_Formal_Charge	0
143847825	Exact_Mass	112.027277375
15559658	Hydrogen_Bond_Acceptor_Count	1
156126	Undefined_Bond_Stereo_Count	0
235090	Exact_Mass	362.22572301
4064	Total_Formal_Charge	0
123761716	Non-hydrogen_Atom_Count	7
134693234	Hydrogen_Bond_Acceptor_Count	6
700489	TPSA	74.9
524	Isotope_Atom_Count	0
122077	Non-hydrogen_Atom_Count	28
101059324	XLogP3-AA	6.1
57163928	Isotope_Atom_Count	0
656597	Mono_Isotopic_Weight	383.10961
497380	Defined_Atom_Stereo_Count	1
118374185	TPSA	15.3
91684	Structure_Complexity	741
72560	Defined_Bond_Stereo_Count	0
73700849	Mono_Isotopic_Weight	103.063328530
13601742	Non-hydrogen_Atom_Count	8
71674	Molecular_Weight	1404.2
23581869	Non-hydrogen_Atom_Count	26
117120	Rotatable_Bond_Count	4
3604	Total_Formal_Charge	2
7043949	Molecular_Weight	162.19
44607530	Undefined_Atom_Stereo_Count	0
64560	TPSA	6.5
550825	Defined_Atom_Stereo_Count	0
6992563	Tautomer_Count	4
38904	Undefined_Atom_Stereo_Count	0
68374	Undefined_Bond_Stereo_Count	0
59072033	Mono_Isotopic_Weight	416.32904526
5352133	Molecular_Weight	373.27
644464	Covalent_Unit_Count	1
5766	Structure_Complexity	257
11360680	Isotope_Atom_Count	0
537505	Rotatable_Bond_Count	1
11587639	Total_Formal_Charge	0
9898827	Exact_Mass	127.063328530
37034	Defined_Bond_Stereo_Count	0
7856	Structure_Complexity	41.2
135418940	Structure_Complexity	505
3890	Rotatable_Bond_Count	14
73114967	Exact_Mass	114.068079557
637997	Defined_Atom_Stereo_Count	0
66193	Undefined_Bond_Stereo_Count	0
11387605	Rotatable_Bond_Count	8
90906739	Covalent_Unit_Count	1
160439	Hydrogen_Bond_Acceptor_Count	2
3000469	Exact_Mass	312.19367399
57164232	Isotope_Atom_Count	0
230710	Isotope_Atom_Count	0
22035327	Structure_Complexity	151
1457	TPSA	60.7
12444627	Tautomer_Count	83
6196	Exact_Mass	401.10454189
18340	Tautomer_Count	2
7280190	Defined_Atom_Stereo_Count	0
5284607	Hydrogen_Bond_Acceptor_Count	2
10393	Non-hydrogen_Atom_Count	10
14362	Isotope_Atom_Count	0
130152397	Non-hydrogen_Atom_Count	8
44443933	Defined_Atom_Stereo_Count	6
76654	Mono_Isotopic_Weight	168.0665554
57400037	Mono_Isotopic_Weight	434.05538
71629	Hydrogen_Bond_Acceptor_Count	7
121494123	Hydrogen_Bond_Acceptor_Count	162
57429842	Covalent_Unit_Count	1
219100	Defined_Bond_Stereo_Count	0
6552009	Molecular_Weight	154.25
7897	Non-hydrogen_Atom_Count	6
4497	XLogP3	3.1
67356	Mono_Isotopic_Weight	509.1282236
82593534	Undefined_Atom_Stereo_Count	0
16978	Hydrogen_Bond_Donor_Count	1
135413518	Non-hydrogen_Atom_Count	32
12659781	Non-hydrogen_Atom_Count	6
37612	XLogP3-AA	5.1
60189	Molecular_Weight	286.37
35823	XLogP3	7.1
10221	Hydrogen_Bond_Donor_Count	1
14344952	Undefined_Bond_Stereo_Count	0
53756508	Molecular_Weight	100.12
21893333	Undefined_Atom_Stereo_Count	2
135532964	Defined_Bond_Stereo_Count	0
78601	Hydrogen_Bond_Donor_Count	0
65360	Structure_Complexity	299
26998	Structure_Complexity	110
95400	Total_Formal_Charge	0
86607	Rotatable_Bond_Count	4
57452	XLogP3-AA	1.5
10297	Tautomer_Count	1
1549062	Molecular_Weight	268.2
551428	Non-hydrogen_Atom_Count	8
545698	Non-hydrogen_Atom_Count	7
9985579	Rotatable_Bond_Count	11
6918446	Undefined_Bond_Stereo_Count	0
15148131	XLogP3-AA	0.6
91537	Rotatable_Bond_Count	6
123257569	Non-hydrogen_Atom_Count	8
14103059	Total_Formal_Charge	0
87155	Undefined_Bond_Stereo_Count	1
11979316	Undefined_Bond_Stereo_Count	0
129744665	XLogP3-AA	0.1
3506	Defined_Atom_Stereo_Count	0
5702160	Undefined_Bond_Stereo_Count	0
54068368	Hydrogen_Bond_Donor_Count	1
146158299	Rotatable_Bond_Count	4
67112	Hydrogen_Bond_Donor_Count	1
51387014	Exact_Mass	505.96313
153939	XLogP3-AA	1.4
40302	Rotatable_Bond_Count	1
173994	Hydrogen_Bond_Donor_Count	0
448258	Hydrogen_Bond_Donor_Count	1
589	Exact_Mass	143.094628657
2678	Non-hydrogen_Atom_Count	27
539121	Hydrogen_Bond_Donor_Count	1
4578030	Mono_Isotopic_Weight	300.13615911
16058	Hydrogen_Bond_Donor_Count	0
102752	Undefined_Bond_Stereo_Count	0
86183	Total_Formal_Charge	0
11858154	Undefined_Atom_Stereo_Count	0
440210	Non-hydrogen_Atom_Count	57
69021	Non-hydrogen_Atom_Count	5
12310951	Rotatable_Bond_Count	0
447077	TPSA	83.4
60195810	XLogP3-AA	1.2
77687	Molecular_Weight	160.29
52948643	Non-hydrogen_Atom_Count	20
39774	Covalent_Unit_Count	2
78350	Isotope_Atom_Count	0
1702	Defined_Atom_Stereo_Count	0
14502976	Defined_Bond_Stereo_Count	0
95571	Hydrogen_Bond_Acceptor_Count	2
636408	Undefined_Atom_Stereo_Count	0
13664	XLogP3-AA	3.3
44755151	Isotope_Atom_Count	0
82202	Covalent_Unit_Count	1
135413525	Hydrogen_Bond_Donor_Count	3
14013	Mono_Isotopic_Weight	79.026943022
11949285	XLogP3	3.4
18827	Total_Formal_Charge	0
65715	Mono_Isotopic_Weight	233.141578849
5447	Undefined_Atom_Stereo_Count	0
349902	TPSA	45.6
85551668	Defined_Atom_Stereo_Count	0
5288588	Defined_Atom_Stereo_Count	2
16212118	Exact_Mass	320.20999276
11101	Structure_Complexity	164
161602	Rotatable_Bond_Count	10
135983	Covalent_Unit_Count	1
69965423	Hydrogen_Bond_Donor_Count	1
80478	Structure_Complexity	298
68374679	Structure_Complexity	126
1153	TPSA	83.6
536549	Non-hydrogen_Atom_Count	8
176870	Covalent_Unit_Count	1
137105	Undefined_Atom_Stereo_Count	0
12711588	Mono_Isotopic_Weight	116.047344113
139591683	Isotope_Atom_Count	0
57109318	Exact_Mass	116.047344113
3154	XLogP3-AA	0.4
162652	Mono_Isotopic_Weight	173.022526347
55289794	Rotatable_Bond_Count	2
15528723	TPSA	40.5
12933274	Hydrogen_Bond_Acceptor_Count	1
57385877	Total_Formal_Charge	0
53240376	Molecular_Weight	725.7
135408964	Mono_Isotopic_Weight	452.2230560
20555317	Defined_Atom_Stereo_Count	0
11954389	Molecular_Weight	470.9
158726884	Hydrogen_Bond_Acceptor_Count	1
83826166	Isotope_Atom_Count	0
177976	Molecular_Weight	375.4
84647611	Hydrogen_Bond_Donor_Count	1
54675866	Defined_Bond_Stereo_Count	0
12578246	Total_Formal_Charge	0
11181	Isotope_Atom_Count	0
12676503	Hydrogen_Bond_Donor_Count	0
14989494	Rotatable_Bond_Count	0
19754146	Molecular_Weight	210.23
27522	Molecular_Weight	576.3
135413545	TPSA	121
80428	Hydrogen_Bond_Acceptor_Count	0
56682314	Covalent_Unit_Count	1
14866914	Structure_Complexity	60
159594	Non-hydrogen_Atom_Count	37
118984465	Non-hydrogen_Atom_Count	52
91942	Hydrogen_Bond_Donor_Count	2
439278	Defined_Atom_Stereo_Count	1
13150	Exact_Mass	130.062994177
90806020	Exact_Mass	110.109550447
5310993	Exact_Mass	154.03784206
9945189	Rotatable_Bond_Count	6
44134800	Exact_Mass	306.0627584
9940864	Hydrogen_Bond_Acceptor_Count	17
76225552	Structure_Complexity	80.1
461128	Structure_Complexity	666
139040442	Defined_Bond_Stereo_Count	0
74764146	TPSA	28.5
11072675	XLogP3-AA	1.4
12285870	Hydrogen_Bond_Acceptor_Count	6
12358497	Molecular_Weight	380.9
153903811	Structure_Complexity	32.9
20387220	TPSA	3
15239355	Isotope_Atom_Count	0
2519	Total_Formal_Charge	0
81445	Isotope_Atom_Count	0
123540562	Structure_Complexity	81.8
58186	Molecular_Weight	261.32
545093	Hydrogen_Bond_Donor_Count	1
71624343	Structure_Complexity	546
76038	Isotope_Atom_Count	0
65920	Tautomer_Count	9
2354	Non-hydrogen_Atom_Count	21
2807	Undefined_Bond_Stereo_Count	2
148763531	Undefined_Bond_Stereo_Count	0
9115	Molecular_Weight	300.4
73603	Defined_Bond_Stereo_Count	0
124514	Tautomer_Count	4
543706	Hydrogen_Bond_Donor_Count	1
16666	XLogP3-AA	3
68385	Undefined_Atom_Stereo_Count	0
61638	Tautomer_Count	1
245005	Defined_Atom_Stereo_Count	14
56623	Defined_Bond_Stereo_Count	0
114823056	XLogP3-AA	0.4
137699188	Rotatable_Bond_Count	13
12367598	Isotope_Atom_Count	0
55287417	TPSA	42.2
520546	XLogP3-AA	0.7
16682999	Molecular_Weight	395.10
72200444	Rotatable_Bond_Count	16
129852933	Non-hydrogen_Atom_Count	19
14227	Total_Formal_Charge	0
38878	Hydrogen_Bond_Donor_Count	0
5746249	Undefined_Bond_Stereo_Count	0
16051	Hydrogen_Bond_Donor_Count	0
92041	Hydrogen_Bond_Donor_Count	1
16738703	Molecular_Weight	118.09
17435	Mono_Isotopic_Weight	320.03058836
12307804	Total_Formal_Charge	0
5284448	XLogP3-AA	5.3
6451450	Isotope_Atom_Count	0
627812	Undefined_Atom_Stereo_Count	1
188	Mono_Isotopic_Weight	384.12677620
9819	Undefined_Atom_Stereo_Count	0
41465	Tautomer_Count	1
51605	Undefined_Atom_Stereo_Count	0
641773	Non-hydrogen_Atom_Count	7
62416539	Mono_Isotopic_Weight	110.084398327
136253316	TPSA	190
96568	Tautomer_Count	3
7099	Hydrogen_Bond_Donor_Count	2
36299	Total_Formal_Charge	0
2723628	Undefined_Bond_Stereo_Count	0
20289221	Undefined_Bond_Stereo_Count	0
56843466	TPSA	132
4486	Hydrogen_Bond_Acceptor_Count	7
9793	Exact_Mass	376.20498756
16307	Hydrogen_Bond_Donor_Count	0
9614919	Isotope_Atom_Count	0
6918678	Exact_Mass	361.12738533
47104	Mono_Isotopic_Weight	282.136827821
1131	Tautomer_Count	3
92041	Mono_Isotopic_Weight	158.04915563
5496862	Defined_Atom_Stereo_Count	3
66599893	XLogP3-AA	4.6
15950	Undefined_Atom_Stereo_Count	0
2776	Tautomer_Count	6
88133875	Hydrogen_Bond_Donor_Count	0
130394	Mono_Isotopic_Weight	409.09437113
907457	Hydrogen_Bond_Donor_Count	1
319701	Rotatable_Bond_Count	5
443777	Mono_Isotopic_Weight	192.078644241
67893	Structure_Complexity	75
8445	Defined_Atom_Stereo_Count	0
6527	Rotatable_Bond_Count	6
1242943	Undefined_Atom_Stereo_Count	0
314284	TPSA	26.3
10435916	Undefined_Atom_Stereo_Count	1
1712094	Rotatable_Bond_Count	3
108675	Molecular_Weight	179.02
67249135	XLogP3-AA	4.8
6436083	Mono_Isotopic_Weight	538.18450
97860	Total_Formal_Charge	0
72683639	Rotatable_Bond_Count	12
53485229	Defined_Bond_Stereo_Count	0
22998467	Hydrogen_Bond_Acceptor_Count	3
11100	Isotope_Atom_Count	0
17764882	Molecular_Weight	116.12
449242	Mono_Isotopic_Weight	360.07225250
101602193	Structure_Complexity	1510
181674	Rotatable_Bond_Count	1
6326288	Non-hydrogen_Atom_Count	8
3191	Structure_Complexity	594
91411400	Hydrogen_Bond_Donor_Count	1
54269666	Total_Formal_Charge	0
222155	Molecular_Weight	548.7
57930746	Defined_Atom_Stereo_Count	0
80152	XLogP3	3.2
19846	Structure_Complexity	52.5
8714	Hydrogen_Bond_Donor_Count	6
118701518	Isotope_Atom_Count	0
65499	Defined_Bond_Stereo_Count	0
12643154	Undefined_Bond_Stereo_Count	0
44431171	Defined_Atom_Stereo_Count	2
39425	Defined_Bond_Stereo_Count	0
91610	TPSA	130
91061	Mono_Isotopic_Weight	390.24062418
135451068	Covalent_Unit_Count	1
12744	TPSA	0
3063289	Undefined_Bond_Stereo_Count	0
71221	XLogP3-AA	2.2
7156899	Exact_Mass	342.11621151
10407503	Non-hydrogen_Atom_Count	25
32242	TPSA	172
457	Molecular_Weight	137.16
41583	Defined_Atom_Stereo_Count	0
88983	Non-hydrogen_Atom_Count	16
728526	Structure_Complexity	231
519247	XLogP3-AA	1.1
90498	Mono_Isotopic_Weight	84.068748264
11461044	Hydrogen_Bond_Acceptor_Count	5
135177281	Defined_Bond_Stereo_Count	0
21876618	Covalent_Unit_Count	1
418745	TPSA	67.6
10197619	XLogP3-AA	0.5
5462099	Tautomer_Count	1
7260	TPSA	26
91468768	Non-hydrogen_Atom_Count	8
141329202	Hydrogen_Bond_Donor_Count	0
4060	Hydrogen_Bond_Acceptor_Count	2
63954	Defined_Atom_Stereo_Count	0
6866	Mono_Isotopic_Weight	196.9799046
89484493	Structure_Complexity	120
53710320	XLogP3-AA	0.7
6440397	Non-hydrogen_Atom_Count	22
12304109	XLogP3	2.1
4485	Covalent_Unit_Count	1
91845299	Non-hydrogen_Atom_Count	23
71584163	Rotatable_Bond_Count	5
9903853	Structure_Complexity	481
10316	Non-hydrogen_Atom_Count	15
94242	Exact_Mass	152.0392780
5284604	TPSA	70
135539121	Isotope_Atom_Count	0
54587659	Hydrogen_Bond_Acceptor_Count	5
34052	Defined_Bond_Stereo_Count	0
12960	Undefined_Atom_Stereo_Count	2
96457	Molecular_Weight	117.11
60870	Mono_Isotopic_Weight	420.11437830
56666736	Defined_Atom_Stereo_Count	4
158403	Hydrogen_Bond_Donor_Count	0
415628	XLogP3-AA	2
57401427	Hydrogen_Bond_Acceptor_Count	5
57401681	TPSA	119
117072582	Molecular_Weight	358.5
73744469	Exact_Mass	581.1663885
77794	Exact_Mass	175.074561919
1548887	XLogP3	3.4
5311201	Defined_Bond_Stereo_Count	0
57755451	Hydrogen_Bond_Donor_Count	0
57394021	XLogP3-AA	5.3
66624088	TPSA	54.7
18517355	Isotope_Atom_Count	0
72462	Hydrogen_Bond_Acceptor_Count	6
59047	Tautomer_Count	1
12938	Non-hydrogen_Atom_Count	25
7789	Rotatable_Bond_Count	16
9948102	Undefined_Bond_Stereo_Count	0
43976	TPSA	67
8060	Hydrogen_Bond_Donor_Count	1
90987052	XLogP3-AA	3.1
28794	Isotope_Atom_Count	0
903675	Rotatable_Bond_Count	4
28292	Structure_Complexity	276
5443	Total_Formal_Charge	0
14949721	Mono_Isotopic_Weight	99.104799419
5839	Undefined_Bond_Stereo_Count	0
693241	Defined_Bond_Stereo_Count	0
858	Covalent_Unit_Count	1
11865435	Covalent_Unit_Count	1
68516	Total_Formal_Charge	0
15765	Hydrogen_Bond_Acceptor_Count	2
9895247	Rotatable_Bond_Count	8
14223	Defined_Bond_Stereo_Count	0
67112	Covalent_Unit_Count	1
5323606	Molecular_Weight	96.13
11305985	Defined_Bond_Stereo_Count	0
68027290	Defined_Atom_Stereo_Count	0
74440	TPSA	58.2
9808235	Tautomer_Count	1
43006	Defined_Bond_Stereo_Count	0
154724068	Hydrogen_Bond_Acceptor_Count	6
65919	Non-hydrogen_Atom_Count	23
44310763	Covalent_Unit_Count	1
9866696	Non-hydrogen_Atom_Count	30
673681	Tautomer_Count	5
14007922	Isotope_Atom_Count	0
12313778	Mono_Isotopic_Weight	602.43351033
445904	Hydrogen_Bond_Acceptor_Count	5
20678	Rotatable_Bond_Count	1
135436497	Mono_Isotopic_Weight	560.97082745
53841083	Undefined_Atom_Stereo_Count	0
9547928	Covalent_Unit_Count	1
53896476	Exact_Mass	135.104799419
285366	Hydrogen_Bond_Acceptor_Count	2
572254	Hydrogen_Bond_Acceptor_Count	2
35405	Undefined_Bond_Stereo_Count	0
522002	Defined_Atom_Stereo_Count	0
14039	Exact_Mass	74.048012819
7762	Rotatable_Bond_Count	4
22206	Hydrogen_Bond_Donor_Count	2
6071	Molecular_Weight	325.4
13990016	Isotope_Atom_Count	0
23663397	TPSA	282
140551	Non-hydrogen_Atom_Count	8
46878363	Exact_Mass	276.1371335
77910626	TPSA	365
448209	Undefined_Atom_Stereo_Count	0
51402807	XLogP3-AA	0.4
3877	Tautomer_Count	3
23723027	Non-hydrogen_Atom_Count	15
253613	XLogP3-AA	5.6
285118	Undefined_Atom_Stereo_Count	0
86240135	Total_Formal_Charge	0
54038601	Covalent_Unit_Count	1
5362460	Total_Formal_Charge	0
20435656	Isotope_Atom_Count	0
9847	Total_Formal_Charge	0
66071	Defined_Bond_Stereo_Count	0
15394	Defined_Bond_Stereo_Count	0
136430	TPSA	24.1
69965423	Covalent_Unit_Count	1
73937	Total_Formal_Charge	0
154237264	Non-hydrogen_Atom_Count	7
5266	Isotope_Atom_Count	0
71433	Defined_Bond_Stereo_Count	0
54710618	Rotatable_Bond_Count	1
61100	Undefined_Atom_Stereo_Count	0
135565424	Mono_Isotopic_Weight	266.14528450
91667591	Mono_Isotopic_Weight	977.2875094
14815775	Defined_Bond_Stereo_Count	0
53731876	Isotope_Atom_Count	1
126843213	Covalent_Unit_Count	1
18487	Hydrogen_Bond_Acceptor_Count	1
9810601	Isotope_Atom_Count	0
53639246	Hydrogen_Bond_Acceptor_Count	2
17697	Structure_Complexity	131
55423	Hydrogen_Bond_Donor_Count	1
55918	Defined_Atom_Stereo_Count	0
11554076	Total_Formal_Charge	0
101267449	TPSA	158
11865405	Non-hydrogen_Atom_Count	22
164946899	TPSA	127
4418048	XLogP3	1
143588	Rotatable_Bond_Count	1
6326	Rotatable_Bond_Count	0
129674754	Defined_Bond_Stereo_Count	0
74406	Mono_Isotopic_Weight	130.02660867
52948200	Rotatable_Bond_Count	6
213016	TPSA	69.5
57400037	Total_Formal_Charge	0
15460	Isotope_Atom_Count	0
1397	Exact_Mass	658.55362546
74441105	Isotope_Atom_Count	0
11377	Mono_Isotopic_Weight	144.068748264
28429	Defined_Atom_Stereo_Count	0
6445786	Isotope_Atom_Count	0
82839	Isotope_Atom_Count	0
87110	Mono_Isotopic_Weight	151.0188769
129009909	Covalent_Unit_Count	1
59646264	Hydrogen_Bond_Donor_Count	8
5004	Isotope_Atom_Count	0
10797	Isotope_Atom_Count	0
156465	Mono_Isotopic_Weight	342.07395278
9948102	Hydrogen_Bond_Acceptor_Count	2
20336979	Molecular_Weight	99.13
10343454	XLogP3-AA	4.6
83335	Tautomer_Count	1
20129993	TPSA	46.2
9005	Rotatable_Bond_Count	3
110785	Total_Formal_Charge	0
10206604	Non-hydrogen_Atom_Count	35
13567	Defined_Atom_Stereo_Count	0
637584	Undefined_Atom_Stereo_Count	0
10306	Tautomer_Count	1
5284544	Exact_Mass	515.22407968
9339	Defined_Bond_Stereo_Count	0
11291	Total_Formal_Charge	0
23617235	Total_Formal_Charge	1
182645	TPSA	20.2
62321	Molecular_Weight	224.34
16270	Mono_Isotopic_Weight	112.125200510
19432668	Rotatable_Bond_Count	2
7503	Molecular_Weight	126.58
11908488	Defined_Atom_Stereo_Count	10
71663	Molecular_Weight	475.4
21162823	Hydrogen_Bond_Donor_Count	2
24533	Structure_Complexity	2
7142	XLogP3-AA	7.5
98651	Mono_Isotopic_Weight	413.04128673
18696579	Isotope_Atom_Count	0
12408	Exact_Mass	394.453851850
104799	XLogP3-AA	0.9
11247	Undefined_Bond_Stereo_Count	0
3081	Undefined_Atom_Stereo_Count	0
101484762	Rotatable_Bond_Count	0
20680	Non-hydrogen_Atom_Count	9
156618103	Hydrogen_Bond_Acceptor_Count	11
441346	Molecular_Weight	420.5
41280	Defined_Atom_Stereo_Count	0
67273	Molecular_Weight	277.3
43260	Rotatable_Bond_Count	4
17480032	Undefined_Atom_Stereo_Count	0
19159	Undefined_Atom_Stereo_Count	1
3881	Hydrogen_Bond_Acceptor_Count	4
642156	Rotatable_Bond_Count	0
9927	Isotope_Atom_Count	0
15448	XLogP3	4.5
3386	Isotope_Atom_Count	0
5329103	Exact_Mass	414.1822538
56765705	XLogP3-AA	0.1
12160	Undefined_Bond_Stereo_Count	0
46203882	Exact_Mass	167.105862047
11379626	Covalent_Unit_Count	1
60044075	Mono_Isotopic_Weight	284.16237386
14010333	Mono_Isotopic_Weight	337.1444713
123335274	Mono_Isotopic_Weight	110.109550447
126969014	Defined_Atom_Stereo_Count	12
33746	Undefined_Bond_Stereo_Count	0
72502326	Hydrogen_Bond_Donor_Count	2
6420	Total_Formal_Charge	0
70255	TPSA	17.8
107968	Molecular_Weight	205.28
54178371	Rotatable_Bond_Count	1
6433118	Mono_Isotopic_Weight	441.9793127
72518	Exact_Mass	528.16316171
20587930	XLogP3-AA	0.2
6441264	Molecular_Weight	1076.4
9985579	Undefined_Atom_Stereo_Count	0
9914506	Non-hydrogen_Atom_Count	35
102025582	Mono_Isotopic_Weight	342.11621151
156212	Mono_Isotopic_Weight	310.930761
5484444	Defined_Bond_Stereo_Count	0
161091	Undefined_Atom_Stereo_Count	0
67795854	Hydrogen_Bond_Donor_Count	8
74483	Undefined_Bond_Stereo_Count	0
24965990	Tautomer_Count	1
104987	Molecular_Weight	252.3
42574	Rotatable_Bond_Count	4
6237	Molecular_Weight	518.08
46227489	Covalent_Unit_Count	2
5284382	Defined_Bond_Stereo_Count	0
75931	Mono_Isotopic_Weight	400.287849157
5327	Exact_Mass	278.08374688
118208260	Exact_Mass	109.016378338
517859	Isotope_Atom_Count	0
5385799	Isotope_Atom_Count	0
77332	Mono_Isotopic_Weight	114.104465066
661938	Exact_Mass	424.17983545
6670	Non-hydrogen_Atom_Count	15
8250	TPSA	82.2
69421	Hydrogen_Bond_Acceptor_Count	1
23219736	Undefined_Bond_Stereo_Count	0
6328174	Defined_Atom_Stereo_Count	0
17522	Tautomer_Count	1
70722	Structure_Complexity	114
86830	Total_Formal_Charge	1
5364328	Molecular_Weight	79.10
5083	Undefined_Atom_Stereo_Count	0
11819049	Mono_Isotopic_Weight	100.088815002
71112644	Molecular_Weight	407.3
88586	Hydrogen_Bond_Acceptor_Count	1
13217907	Hydrogen_Bond_Acceptor_Count	2
10238982	Rotatable_Bond_Count	10
40273	Defined_Bond_Stereo_Count	0
19029677	Isotope_Atom_Count	0
54023308	Non-hydrogen_Atom_Count	7
11829400	TPSA	54
556380	Defined_Atom_Stereo_Count	0
54077736	Defined_Atom_Stereo_Count	0
713762	XLogP3-AA	5.2
25196164	Defined_Bond_Stereo_Count	0
70589	Undefined_Atom_Stereo_Count	0
5282349	Exact_Mass	410.318480578
1059	Total_Formal_Charge	0
123806389	Total_Formal_Charge	0
10256734	Rotatable_Bond_Count	7
8991	Undefined_Bond_Stereo_Count	0
65106	Tautomer_Count	4
11002	Covalent_Unit_Count	1
10654176	Undefined_Atom_Stereo_Count	1
11032	Exact_Mass	313.13477939
1682	Non-hydrogen_Atom_Count	9
14081616	Non-hydrogen_Atom_Count	8
67246725	Rotatable_Bond_Count	3
22253	Isotope_Atom_Count	0
9793723	Non-hydrogen_Atom_Count	8
65562	Covalent_Unit_Count	1
68953	Mono_Isotopic_Weight	299.97859
129860447	Defined_Bond_Stereo_Count	0
68554	Hydrogen_Bond_Donor_Count	2
37720	TPSA	356
54697325	XLogP3-AA	3
394428	Undefined_Atom_Stereo_Count	0
44483332	Molecular_Weight	688.8
154342	Molecular_Weight	135.14
3279	Defined_Bond_Stereo_Count	0
44526	Total_Formal_Charge	0
23018825	Covalent_Unit_Count	1
27295	Molecular_Weight	328.20
9890377	Tautomer_Count	1
51003661	Total_Formal_Charge	0
15568242	Molecular_Weight	118.20
64	Structure_Complexity	176
11647899	Hydrogen_Bond_Donor_Count	2
17747460	Hydrogen_Bond_Donor_Count	0
61207	Total_Formal_Charge	0
15681692	Defined_Atom_Stereo_Count	0
44521019	Undefined_Bond_Stereo_Count	0
5034	Exact_Mass	520.79460
197465	Undefined_Bond_Stereo_Count	0
3811100	Isotope_Atom_Count	0
58599	Hydrogen_Bond_Donor_Count	2
24825758	Hydrogen_Bond_Acceptor_Count	18
32735	Molecular_Weight	138.21
21766417	Structure_Complexity	58.1
129873282	Isotope_Atom_Count	0
129849349	Covalent_Unit_Count	1
599	Isotope_Atom_Count	0
9816	Total_Formal_Charge	0
93357	Structure_Complexity	643
43507	Defined_Atom_Stereo_Count	2
72213403	Rotatable_Bond_Count	0
163276613	Isotope_Atom_Count	0
140607	Structure_Complexity	48
88928	Undefined_Bond_Stereo_Count	0
403829	Defined_Atom_Stereo_Count	3
72304	Exact_Mass	222.068079557
5151436	TPSA	20.2
25167777	Exact_Mass	505.10201692
84787	Molecular_Weight	253.34
2658	Mono_Isotopic_Weight	423.06105962
5281884	TPSA	276
65905	Non-hydrogen_Atom_Count	23
12260467	Exact_Mass	109.089149355
564751	Undefined_Bond_Stereo_Count	0
165687912	Hydrogen_Bond_Acceptor_Count	2
45528	Hydrogen_Bond_Acceptor_Count	3
117715670	Molecular_Weight	382.9
60335	Hydrogen_Bond_Acceptor_Count	2
690109	Mono_Isotopic_Weight	220.04188206
51763	TPSA	62.4
65817	Molecular_Weight	228.33
676041	Mono_Isotopic_Weight	219.125928785
733511	Isotope_Atom_Count	0
8713	Total_Formal_Charge	0
10459649	Hydrogen_Bond_Acceptor_Count	9
135391044	Hydrogen_Bond_Acceptor_Count	14
13135	Total_Formal_Charge	0
13408099	Covalent_Unit_Count	1
24826	Covalent_Unit_Count	5
11837140	Hydrogen_Bond_Donor_Count	1
11967214	Undefined_Atom_Stereo_Count	0
525424	Mono_Isotopic_Weight	86.01902136
91763	Mono_Isotopic_Weight	434.0411457
46173707	Total_Formal_Charge	0
131634423	Total_Formal_Charge	0
44415180	Undefined_Atom_Stereo_Count	2
440	XLogP3	8.4
21719984	Mono_Isotopic_Weight	116.083729621
10039774	TPSA	37.3
21106	Undefined_Atom_Stereo_Count	1
653145	Defined_Bond_Stereo_Count	0
6588	Total_Formal_Charge	0
67556876	Total_Formal_Charge	0
21800	Hydrogen_Bond_Acceptor_Count	8
8441	Undefined_Bond_Stereo_Count	0
21579161	Non-hydrogen_Atom_Count	31
4136	Defined_Bond_Stereo_Count	0
68432538	Mono_Isotopic_Weight	100.052429494
6649	Structure_Complexity	516
141295139	Undefined_Bond_Stereo_Count	0
84339	Defined_Bond_Stereo_Count	0
225	Defined_Bond_Stereo_Count	0
69333859	Rotatable_Bond_Count	0
6931391	Tautomer_Count	2
165365661	Defined_Atom_Stereo_Count	0
23510138	Non-hydrogen_Atom_Count	7
88889699	Rotatable_Bond_Count	0
146156882	Hydrogen_Bond_Acceptor_Count	26
158882	XLogP3-AA	6.1
31368	Structure_Complexity	83.1
18314227	Mono_Isotopic_Weight	99.104799419
44560772	Defined_Atom_Stereo_Count	0
10197675	Molecular_Weight	122.12
17963315	XLogP3-AA	4.7
50993724	Covalent_Unit_Count	1
11007828	Structure_Complexity	57.2
9062	Defined_Bond_Stereo_Count	0
5288525	Covalent_Unit_Count	1
89068	Undefined_Bond_Stereo_Count	0
13306877	Total_Formal_Charge	0
19935251	Exact_Mass	97.063997236
7919	Undefined_Bond_Stereo_Count	0
67784194	Molecular_Weight	109.09
46351	TPSA	80.3
23665759	Non-hydrogen_Atom_Count	6
35727	Molecular_Weight	172.26
520902	Non-hydrogen_Atom_Count	12
57358493	Total_Formal_Charge	0
69338	XLogP3-AA	0.3
21806052	XLogP3-AA	0.4
703036	Molecular_Weight	250.05
51043	TPSA	0
22096568	Isotope_Atom_Count	0
166480	Structure_Complexity	468
4605	Tautomer_Count	1
38359009	Defined_Atom_Stereo_Count	6
1603	Structure_Complexity	794
3032576	Non-hydrogen_Atom_Count	24
12225167	Undefined_Atom_Stereo_Count	0
159501	Defined_Bond_Stereo_Count	0
126521	Tautomer_Count	9
11137239	Covalent_Unit_Count	1
11957669	Exact_Mass	255.1389920
60662	Rotatable_Bond_Count	12
81426	Exact_Mass	166.06636548
143286	Undefined_Bond_Stereo_Count	0
90983396	Covalent_Unit_Count	1
9954739	Covalent_Unit_Count	1
824657	Total_Formal_Charge	0
9963	Molecular_Weight	190.12
2816105	Total_Formal_Charge	0
11768526	Total_Formal_Charge	0
4013	Defined_Atom_Stereo_Count	0
12555	Covalent_Unit_Count	1
41787	Defined_Atom_Stereo_Count	0
135020	Exact_Mass	123.99254563
86101	Structure_Complexity	369
31226	TPSA	26.3
23082568	Total_Formal_Charge	0
3000479	Total_Formal_Charge	0
146678	Defined_Bond_Stereo_Count	0
5459220	Total_Formal_Charge	0
58247682	Defined_Bond_Stereo_Count	0
99646539	Isotope_Atom_Count	0
123938	Undefined_Atom_Stereo_Count	0
122327	Total_Formal_Charge	0
316724	Exact_Mass	240.115029749
22084	Tautomer_Count	1
53237541	Covalent_Unit_Count	1
5523	XLogP3	2.6
16220016	Exact_Mass	3430.7166627
20378092	Total_Formal_Charge	0
135403802	Structure_Complexity	645
123226	Molecular_Weight	142.11
12313523	Undefined_Bond_Stereo_Count	0
687034	TPSA	32.9
130802	Hydrogen_Bond_Donor_Count	1
43471	Rotatable_Bond_Count	1
134689784	Molecular_Weight	702.9
13838	Non-hydrogen_Atom_Count	9
7304	Defined_Bond_Stereo_Count	0
70691434	TPSA	52.6
131443	Tautomer_Count	1
92874	Undefined_Bond_Stereo_Count	0
76286993	Mono_Isotopic_Weight	176.0716407
123504	TPSA	37.3
35367	Exact_Mass	112.125200510
87100666	XLogP3-AA	0
54	Hydrogen_Bond_Donor_Count	9
115071571	Undefined_Atom_Stereo_Count	0
135402009	Molecular_Weight	473.4
38849	Mono_Isotopic_Weight	417.10897236
7185	Structure_Complexity	349
2073	Total_Formal_Charge	0
19040	Undefined_Bond_Stereo_Count	0
667450	Molecular_Weight	246.30
49170	Exact_Mass	242.12665706
45791180	Non-hydrogen_Atom_Count	7
6364620	XLogP3-AA	7.1
90956916	Undefined_Atom_Stereo_Count	5
2724588	Structure_Complexity	389
41124	Hydrogen_Bond_Donor_Count	0
129317062	Total_Formal_Charge	0
547308	Undefined_Bond_Stereo_Count	0
71234	Structure_Complexity	362
124328800	Covalent_Unit_Count	1
68869	Covalent_Unit_Count	1
82128	Covalent_Unit_Count	1
18324766	Non-hydrogen_Atom_Count	7
543209	Defined_Atom_Stereo_Count	0
7473	Non-hydrogen_Atom_Count	10
678293	Molecular_Weight	312.3
22081030	Hydrogen_Bond_Donor_Count	0
138493	Defined_Atom_Stereo_Count	0
51030901	Rotatable_Bond_Count	5
6434112	Hydrogen_Bond_Acceptor_Count	3
456255	Structure_Complexity	777
121922	Covalent_Unit_Count	1
12687005	Defined_Atom_Stereo_Count	0
11075477	Defined_Bond_Stereo_Count	0
449459	Defined_Bond_Stereo_Count	1
12418	Molecular_Weight	167.8
94599	Defined_Bond_Stereo_Count	0
72322	Structure_Complexity	502
136437	Non-hydrogen_Atom_Count	4
21447199	Non-hydrogen_Atom_Count	7
39628	Isotope_Atom_Count	0
61503	Covalent_Unit_Count	1
98047379	Defined_Atom_Stereo_Count	8
447482	Total_Formal_Charge	0
521169	Tautomer_Count	1
9236	Isotope_Atom_Count	0
53810451	Hydrogen_Bond_Donor_Count	0
72474	Tautomer_Count	1
60196392	Non-hydrogen_Atom_Count	19
440466	Structure_Complexity	711
12698	Undefined_Atom_Stereo_Count	2
76513	Defined_Bond_Stereo_Count	0
9898814	Exact_Mass	116.071153562
7898	Undefined_Bond_Stereo_Count	0
26908	TPSA	27
55067	Isotope_Atom_Count	0
70693583	Hydrogen_Bond_Acceptor_Count	6
72177	XLogP3-AA	5
53503	TPSA	104
12855	Undefined_Atom_Stereo_Count	0
76355	Isotope_Atom_Count	0
13040867	Defined_Atom_Stereo_Count	0
12305763	Defined_Atom_Stereo_Count	6
18345891	TPSA	20.2
11774	Molecular_Weight	440.3
14264246	Isotope_Atom_Count	0
79905	Structure_Complexity	47.1
15995	Non-hydrogen_Atom_Count	16
151994	Hydrogen_Bond_Donor_Count	0
72941505	Molecular_Weight	377.28
12590274	Exact_Mass	100.052429494
299	Structure_Complexity	631
637969	Hydrogen_Bond_Acceptor_Count	0
5206	Total_Formal_Charge	0
6757	Undefined_Atom_Stereo_Count	0
55289386	Defined_Atom_Stereo_Count	0
137658	Defined_Atom_Stereo_Count	0
10646616	Isotope_Atom_Count	0
3032281	XLogP3-AA	13.5
44563116	Hydrogen_Bond_Donor_Count	1
11567	Hydrogen_Bond_Donor_Count	0
11073219	XLogP3-AA	26.4
86076173	Defined_Atom_Stereo_Count	0
138506	Structure_Complexity	266
87321867	Defined_Atom_Stereo_Count	0
19536	Hydrogen_Bond_Donor_Count	0
74	Undefined_Atom_Stereo_Count	5
137347968	Isotope_Atom_Count	0
12611534	Hydrogen_Bond_Donor_Count	1
15947217	Isotope_Atom_Count	0
39042	Structure_Complexity	452
21696199	Non-hydrogen_Atom_Count	7
11876	Structure_Complexity	199
72899	Undefined_Atom_Stereo_Count	0
23276065	Mono_Isotopic_Weight	362.0144595
91069096	Covalent_Unit_Count	1
92729	TPSA	29.5
118023034	Total_Formal_Charge	0
21962760	Covalent_Unit_Count	1
505711	Exact_Mass	540.098555
673664	XLogP3-AA	0.6
6415	Defined_Atom_Stereo_Count	0
5712574	Total_Formal_Charge	0
549138	Rotatable_Bond_Count	0
2585	Hydrogen_Bond_Acceptor_Count	5
13235324	Undefined_Bond_Stereo_Count	0
5366074	Molecular_Weight	190.28
71771	Isotope_Atom_Count	0
9887304	TPSA	69.9
63075	XLogP3	6.7
19621	Tautomer_Count	2
290223	Mono_Isotopic_Weight	196.06703418
3584	Rotatable_Bond_Count	11
71449805	Rotatable_Bond_Count	4
14906717	Mono_Isotopic_Weight	116.083729621
19428934	Undefined_Bond_Stereo_Count	0
7020337	Exact_Mass	477.09994880
55294	Non-hydrogen_Atom_Count	18
517546	Defined_Bond_Stereo_Count	0
104798	Tautomer_Count	1
54303	Exact_Mass	276.1029409
119114	Hydrogen_Bond_Acceptor_Count	4
570605	Mono_Isotopic_Weight	106.053098200
145900	Covalent_Unit_Count	1
123164	Exact_Mass	14.0156500638
66764350	Mono_Isotopic_Weight	164.03859095
91696191	Total_Formal_Charge	0
66645351	Undefined_Bond_Stereo_Count	0
34457	Rotatable_Bond_Count	13
9949648	Undefined_Atom_Stereo_Count	0
19027815	Mono_Isotopic_Weight	107.073499291
134980383	Undefined_Atom_Stereo_Count	0
11126175	Structure_Complexity	93.8
154545436	Mono_Isotopic_Weight	97.052763847
2723719	Exact_Mass	665.30474055
25201976	Non-hydrogen_Atom_Count	13
141076555	TPSA	20.3
65708	Hydrogen_Bond_Donor_Count	2
139086359	Defined_Bond_Stereo_Count	0
11167602	TPSA	92.4
41438	Mono_Isotopic_Weight	419.091456
91758680	Rotatable_Bond_Count	2
68392349	Undefined_Bond_Stereo_Count	0
66747531	XLogP3-AA	0.7
88959077	Molecular_Weight	113.11
54572303	Exact_Mass	112.03851076
57401681	Undefined_Atom_Stereo_Count	0
56841934	Exact_Mass	165.901565
82148	Defined_Bond_Stereo_Count	0
14294229	Undefined_Bond_Stereo_Count	0
650201	XLogP3-AA	3.1
9797661	Rotatable_Bond_Count	4
95069	Mono_Isotopic_Weight	224.058577502
731747	Total_Formal_Charge	0
201136	Molecular_Weight	194.23
14160348	Undefined_Atom_Stereo_Count	0
11723971	Undefined_Atom_Stereo_Count	0
9796068	TPSA	88.9
12310714	Molecular_Weight	387.4
7172302	Structure_Complexity	99.3
20517187	Defined_Atom_Stereo_Count	0
17275	Undefined_Bond_Stereo_Count	0
440560	Covalent_Unit_Count	1
9868902	TPSA	58.1
66615270	Undefined_Atom_Stereo_Count	0
25014844	Molecular_Weight	476.6
84715968	Covalent_Unit_Count	1
6917865	Covalent_Unit_Count	2
694951	Covalent_Unit_Count	1
13285795	Molecular_Weight	85.10
637578	Rotatable_Bond_Count	3
50990560	TPSA	195
122087	TPSA	46.2
14379827	Covalent_Unit_Count	1
72200863	Defined_Bond_Stereo_Count	0
27135	Hydrogen_Bond_Acceptor_Count	3
58044790	Undefined_Atom_Stereo_Count	0
484176	Exact_Mass	437.0805691
3860	Non-hydrogen_Atom_Count	24
101671175	Molecular_Weight	748.0
7428	Exact_Mass	184.03717335
59888749	Undefined_Bond_Stereo_Count	0
135019886	Exact_Mass	342.11621151
1269845	Total_Formal_Charge	0
22635267	Mono_Isotopic_Weight	359.9886595
71850	XLogP3-AA	3.9
82185	Hydrogen_Bond_Donor_Count	1
74764517	Non-hydrogen_Atom_Count	28
21278826	Molecular_Weight	98.15
74229	Molecular_Weight	193.24
7707	XLogP3	1.3
11488729	XLogP3-AA	7.1
40927	TPSA	53.1
14839575	Undefined_Atom_Stereo_Count	2
542762	TPSA	37.3
18683510	Rotatable_Bond_Count	3
443213	Structure_Complexity	267
130250598	Non-hydrogen_Atom_Count	8
118193	Structure_Complexity	72.6
143075695	Rotatable_Bond_Count	2
5364712	Hydrogen_Bond_Donor_Count	1
61103	Molecular_Weight	364.9
19010321	Hydrogen_Bond_Donor_Count	1
1858	Hydrogen_Bond_Acceptor_Count	2
137944176	Structure_Complexity	96.3
193433	Non-hydrogen_Atom_Count	12
5708528	Rotatable_Bond_Count	0
53747824	Undefined_Bond_Stereo_Count	0
74325	XLogP3	1.3
4969	Tautomer_Count	10
600809	Total_Formal_Charge	0
18530	Non-hydrogen_Atom_Count	7
30692	TPSA	116
521115	Non-hydrogen_Atom_Count	20
74266	Isotope_Atom_Count	0
54567	Total_Formal_Charge	0
3966	Molecular_Weight	234.38
11045	XLogP3-AA	0.2
64184	Defined_Atom_Stereo_Count	0
8621	Exact_Mass	189.9952203
8857	TPSA	26.3
7842	Undefined_Atom_Stereo_Count	0
83823	Mono_Isotopic_Weight	461.20496695
84759	Molecular_Weight	145.16
688993	TPSA	26.3
10866282	Molecular_Weight	110.15
63632	TPSA	131
65052	Mono_Isotopic_Weight	137.047678466
15948139	Molecular_Weight	445.5
7086	Defined_Bond_Stereo_Count	0
7951	Tautomer_Count	1
37995	Structure_Complexity	287
4567	Undefined_Atom_Stereo_Count	3
778	Structure_Complexity	86.1
84871	Undefined_Bond_Stereo_Count	0
451239	Defined_Bond_Stereo_Count	0
154734173	XLogP3-AA	0.2
90943885	Exact_Mass	110.109550447
99748	Structure_Complexity	106
7151	Tautomer_Count	1
14008744	Mono_Isotopic_Weight	117.078978594
119146	Structure_Complexity	606
81574	Covalent_Unit_Count	1
11979606	Hydrogen_Bond_Acceptor_Count	14
24781	Total_Formal_Charge	0
182585	Hydrogen_Bond_Acceptor_Count	5
159778730	Undefined_Bond_Stereo_Count	0
2724055	Hydrogen_Bond_Acceptor_Count	2
5287851	Undefined_Bond_Stereo_Count	0
13380150	Defined_Atom_Stereo_Count	0
23725051	Isotope_Atom_Count	0
604767	Defined_Atom_Stereo_Count	0
15940571	TPSA	119
22575031	Molecular_Weight	114.10
122172945	Defined_Bond_Stereo_Count	1
71458236	Total_Formal_Charge	0
72566	Defined_Atom_Stereo_Count	0
122501	Undefined_Bond_Stereo_Count	0
106567	Hydrogen_Bond_Acceptor_Count	2
53316474	Undefined_Bond_Stereo_Count	0
6166	XLogP3	2.9
5388949	Total_Formal_Charge	0
76500	XLogP3-AA	1.9
20324725	TPSA	26.3
54404212	Covalent_Unit_Count	1
7313	Hydrogen_Bond_Acceptor_Count	2
5922	Mono_Isotopic_Weight	123.032028402
77241	TPSA	79.5
9868041	Mono_Isotopic_Weight	443.12633996
170944	Tautomer_Count	1
5365811	XLogP3-AA	1.2
655797	Defined_Bond_Stereo_Count	0
6852406	Defined_Atom_Stereo_Count	5
18506428	Defined_Atom_Stereo_Count	0
162404783	Structure_Complexity	79.1
23284	Total_Formal_Charge	0
18999713	Mono_Isotopic_Weight	114.104465066
156598696	Hydrogen_Bond_Donor_Count	1
14524652	Rotatable_Bond_Count	0
58645437	Covalent_Unit_Count	1
580057	Rotatable_Bond_Count	2
5702538	Non-hydrogen_Atom_Count	44
135743681	Rotatable_Bond_Count	2
59281403	Mono_Isotopic_Weight	417.13002593
15197399	Defined_Atom_Stereo_Count	0
3445	Hydrogen_Bond_Acceptor_Count	3
17816	Defined_Atom_Stereo_Count	0
69026	Exact_Mass	218.83535
19428628	Total_Formal_Charge	0
10639	Total_Formal_Charge	0
46861612	Rotatable_Bond_Count	7
755686	Non-hydrogen_Atom_Count	17
6318	Isotope_Atom_Count	0
43962	Undefined_Atom_Stereo_Count	0
130025161	Hydrogen_Bond_Acceptor_Count	3
24832091	Molecular_Weight	454.5
42948	Defined_Atom_Stereo_Count	0
431097	XLogP3-AA	0.8
143228476	Defined_Atom_Stereo_Count	0
6456015	Tautomer_Count	53
11951725	TPSA	108
3641725	Undefined_Bond_Stereo_Count	0
6858209	Undefined_Atom_Stereo_Count	0
90714454	Exact_Mass	116.083729621
54507095	Non-hydrogen_Atom_Count	8
3282	Exact_Mass	165.078978594
75332	Mono_Isotopic_Weight	142.0297759
133687604	Mono_Isotopic_Weight	408.1703517
6436158	Hydrogen_Bond_Donor_Count	3
60712	Defined_Atom_Stereo_Count	0
11182	Undefined_Atom_Stereo_Count	0
20475566	Total_Formal_Charge	0
23672302	Total_Formal_Charge	0
1794	Total_Formal_Charge	0
4237	Rotatable_Bond_Count	6
20849107	Covalent_Unit_Count	1
47509	Mono_Isotopic_Weight	256.1090889
327044	Exact_Mass	313.10625597
67500	Exact_Mass	135.01427034
68668153	Mono_Isotopic_Weight	240.089877630
291703	Mono_Isotopic_Weight	256.109944368
12305986	Rotatable_Bond_Count	0
30039	Undefined_Atom_Stereo_Count	0
9989	Hydrogen_Bond_Donor_Count	1
213021	Structure_Complexity	280
139356	Undefined_Atom_Stereo_Count	1
12607503	Undefined_Bond_Stereo_Count	0
18879	Defined_Atom_Stereo_Count	3
122534114	Total_Formal_Charge	0
56842070	Defined_Atom_Stereo_Count	0
265	Hydrogen_Bond_Acceptor_Count	22
1486	Defined_Bond_Stereo_Count	0
158550	Mono_Isotopic_Weight	802.35712773
285	Defined_Bond_Stereo_Count	0
146159220	Hydrogen_Bond_Acceptor_Count	20
132596289	Total_Formal_Charge	0
445460	Total_Formal_Charge	0
1882	Non-hydrogen_Atom_Count	16
5330196	Defined_Atom_Stereo_Count	0
18403043	Undefined_Atom_Stereo_Count	2
70301	Undefined_Bond_Stereo_Count	0
10723	Total_Formal_Charge	0
7397	Undefined_Atom_Stereo_Count	0
15732451	Non-hydrogen_Atom_Count	15
55582	Defined_Atom_Stereo_Count	0
3082555	Isotope_Atom_Count	0
436520	Undefined_Atom_Stereo_Count	0
5463081	Rotatable_Bond_Count	0
12444348	Covalent_Unit_Count	1
634876	Covalent_Unit_Count	1
48207	Defined_Atom_Stereo_Count	0
73764	Defined_Bond_Stereo_Count	0
78819	Rotatable_Bond_Count	5
55284589	Defined_Atom_Stereo_Count	0
73950789	Total_Formal_Charge	0
5789	Rotatable_Bond_Count	2
8291	Exact_Mass	264.05514589
20055408	Defined_Bond_Stereo_Count	0
123690360	Undefined_Bond_Stereo_Count	0
45559	Molecular_Weight	371.9
544627	Defined_Atom_Stereo_Count	0
101973938	Rotatable_Bond_Count	4
129474	Undefined_Bond_Stereo_Count	0
250948	Exact_Mass	396.23005950
13165124	Total_Formal_Charge	0
5668	Mono_Isotopic_Weight	354.19434270
154101	Hydrogen_Bond_Acceptor_Count	3
11054313	Hydrogen_Bond_Donor_Count	0
17045	Molecular_Weight	101.15
11987858	Hydrogen_Bond_Donor_Count	0
640997	Exact_Mass	106.062994177
44392218	Mono_Isotopic_Weight	390.267113712
448215	XLogP3-AA	2.5
54680694	TPSA	171
290223	XLogP3-AA	1.9
515	Covalent_Unit_Count	1
253	Hydrogen_Bond_Donor_Count	3
2223	TPSA	91.3
62445	TPSA	26.3
41910	Defined_Atom_Stereo_Count	0
10313108	Rotatable_Bond_Count	1
1312	Defined_Atom_Stereo_Count	0
54680675	Rotatable_Bond_Count	3
94462	Undefined_Atom_Stereo_Count	0
5459211	Hydrogen_Bond_Acceptor_Count	12
9367	TPSA	132
68991415	Molecular_Weight	101.15
96380	Mono_Isotopic_Weight	203.094628657
95497	Non-hydrogen_Atom_Count	7
11568443	TPSA	95.5
11962267	Undefined_Atom_Stereo_Count	0
22859	Isotope_Atom_Count	0
11969542	Non-hydrogen_Atom_Count	32
25242	Covalent_Unit_Count	1
86083878	Mono_Isotopic_Weight	94.078250319
5491989	Undefined_Atom_Stereo_Count	0
3854666	Covalent_Unit_Count	1
12385252	Non-hydrogen_Atom_Count	20
67434749	Mono_Isotopic_Weight	100.100048391
136572	Hydrogen_Bond_Donor_Count	0
5484366	Undefined_Atom_Stereo_Count	0
54586720	Total_Formal_Charge	0
644160	Undefined_Atom_Stereo_Count	0
90449	Hydrogen_Bond_Acceptor_Count	1
114794	Hydrogen_Bond_Acceptor_Count	1
5281394	TPSA	200
53320169	Non-hydrogen_Atom_Count	31
25144422	Tautomer_Count	4
9884817	Defined_Bond_Stereo_Count	0
29701	Covalent_Unit_Count	1
27020	XLogP3-AA	6.2
101640759	Defined_Atom_Stereo_Count	0
12589332	Isotope_Atom_Count	0
6409631	Isotope_Atom_Count	0
58096	Tautomer_Count	2
5256228	Covalent_Unit_Count	1
21123938	Mono_Isotopic_Weight	410.18417193
688451	Molecular_Weight	236.31
18722856	Structure_Complexity	106
64149	Total_Formal_Charge	0
165074	Isotope_Atom_Count	0
79156	Non-hydrogen_Atom_Count	7
773938	Hydrogen_Bond_Acceptor_Count	4
443870	Non-hydrogen_Atom_Count	27
3220	Molecular_Weight	270.24
10557575	Rotatable_Bond_Count	16
151117	Non-hydrogen_Atom_Count	33
10539198	Hydrogen_Bond_Donor_Count	4
47670	Hydrogen_Bond_Donor_Count	1
12571167	Covalent_Unit_Count	1
19838382	Structure_Complexity	103
12074440	Total_Formal_Charge	0
12350	XLogP3-AA	3
59496859	Undefined_Atom_Stereo_Count	0
13814	Isotope_Atom_Count	0
90915688	Defined_Bond_Stereo_Count	0
31205	Molecular_Weight	388.7
88861581	Non-hydrogen_Atom_Count	8
42807	XLogP3	2.9
135403805	TPSA	102
22137188	Hydrogen_Bond_Acceptor_Count	1
85705001	Defined_Bond_Stereo_Count	0
12056759	Isotope_Atom_Count	0
21583979	Hydrogen_Bond_Donor_Count	1
5932	Defined_Atom_Stereo_Count	0
8085	Total_Formal_Charge	0
53378550	Defined_Bond_Stereo_Count	0
57459433	Undefined_Bond_Stereo_Count	0
10820479	Hydrogen_Bond_Donor_Count	1
8620	Defined_Bond_Stereo_Count	0
51906	Undefined_Atom_Stereo_Count	0
65662	Mono_Isotopic_Weight	267.125928785
9300	Molecular_Weight	291.71
5479529	Hydrogen_Bond_Acceptor_Count	10
82536	Defined_Atom_Stereo_Count	0
1964	TPSA	83.8
108835	Defined_Bond_Stereo_Count	0
9543213	Hydrogen_Bond_Donor_Count	0
24027	Exact_Mass	377.0949343
8226	Total_Formal_Charge	0
68681268	Non-hydrogen_Atom_Count	32
11140632	Undefined_Atom_Stereo_Count	2
11503692	Total_Formal_Charge	0
90878759	Defined_Bond_Stereo_Count	0
10152654	XLogP3-AA	4.1
32793	Exact_Mass	202.17552200
31355	Undefined_Bond_Stereo_Count	0
74325379	Covalent_Unit_Count	1
81426	Isotope_Atom_Count	0
97289	Defined_Atom_Stereo_Count	0
381117	Undefined_Bond_Stereo_Count	0
99456	Defined_Bond_Stereo_Count	0
68947	Defined_Atom_Stereo_Count	6
44160137	Total_Formal_Charge	0
10387	Hydrogen_Bond_Acceptor_Count	2
711468	Non-hydrogen_Atom_Count	17
403646	Non-hydrogen_Atom_Count	20
6918509	XLogP3-AA	3.1
21483017	Structure_Complexity	100
82078	Rotatable_Bond_Count	5
56801	Defined_Bond_Stereo_Count	0
5836	Structure_Complexity	509
9955836	Defined_Atom_Stereo_Count	0
129794341	Total_Formal_Charge	0
54192929	Undefined_Bond_Stereo_Count	0
578334	Undefined_Atom_Stereo_Count	0
7818	Structure_Complexity	54.9
5384411	Total_Formal_Charge	0
134601	TPSA	119
19851301	Undefined_Atom_Stereo_Count	0
129695690	Defined_Bond_Stereo_Count	0
65620	TPSA	33.1
3154	Undefined_Atom_Stereo_Count	2
57331769	Structure_Complexity	188
142993	Isotope_Atom_Count	0
6995013	Non-hydrogen_Atom_Count	11
9579252	Hydrogen_Bond_Acceptor_Count	6
9793689	Rotatable_Bond_Count	1
22227075	Defined_Bond_Stereo_Count	0
10347501	Undefined_Atom_Stereo_Count	1
52947103	Covalent_Unit_Count	1
10485	Defined_Atom_Stereo_Count	0
19012	Defined_Atom_Stereo_Count	0
11148955	Covalent_Unit_Count	1
3306	Defined_Atom_Stereo_Count	0
115739	Non-hydrogen_Atom_Count	14
22833567	Undefined_Bond_Stereo_Count	0
33629	Tautomer_Count	1
1530	Covalent_Unit_Count	1
1385	Structure_Complexity	495
5377410	Non-hydrogen_Atom_Count	19
23678	Defined_Atom_Stereo_Count	0
12576587	Undefined_Bond_Stereo_Count	0
60815	Mono_Isotopic_Weight	376.19982200
19002911	Undefined_Atom_Stereo_Count	0
74339	XLogP3	5
8063338	Mono_Isotopic_Weight	115.026943022
673	Tautomer_Count	1
114935	Structure_Complexity	1170
54366638	Hydrogen_Bond_Donor_Count	0
254592	Total_Formal_Charge	0
9896434	Total_Formal_Charge	0
65093	Exact_Mass	220.01289061
102891	Structure_Complexity	388
317	Rotatable_Bond_Count	18
16295	TPSA	0
146474223	Exact_Mass	116.047344113
11612445	Undefined_Atom_Stereo_Count	1
60910	Covalent_Unit_Count	1
122767	Undefined_Atom_Stereo_Count	0
7745	Undefined_Atom_Stereo_Count	1
12305986	XLogP3-AA	1.1
107871	Mono_Isotopic_Weight	181.9537494
2733497	Undefined_Bond_Stereo_Count	0
17734	Structure_Complexity	253
89292361	Rotatable_Bond_Count	2
38316	Exact_Mass	191.094628657
18477728	Mono_Isotopic_Weight	957.58135632
20206342	Mono_Isotopic_Weight	83.037113783
141103237	Undefined_Atom_Stereo_Count	2
44123754	Hydrogen_Bond_Donor_Count	2
6102820	Hydrogen_Bond_Acceptor_Count	5
447379	Non-hydrogen_Atom_Count	34
8112	Isotope_Atom_Count	0
197839	Covalent_Unit_Count	1
164116	Undefined_Atom_Stereo_Count	1
16700308	Defined_Atom_Stereo_Count	0
134085	Undefined_Atom_Stereo_Count	1
126969152	Defined_Bond_Stereo_Count	0
1235	Mono_Isotopic_Weight	257.177964357
25975	Covalent_Unit_Count	1
78422649	Hydrogen_Bond_Donor_Count	1
3855171	Covalent_Unit_Count	1
2778	Undefined_Atom_Stereo_Count	17
21719768	Non-hydrogen_Atom_Count	8
5361309	Non-hydrogen_Atom_Count	30
25724	Hydrogen_Bond_Acceptor_Count	3
37109	Hydrogen_Bond_Donor_Count	1
5358907	Exact_Mass	354.15795719
180	Hydrogen_Bond_Acceptor_Count	1
9862	Exact_Mass	126.104465066
40537360	Undefined_Bond_Stereo_Count	0
91589206	Covalent_Unit_Count	1
9861147	Hydrogen_Bond_Donor_Count	1
24469	Defined_Atom_Stereo_Count	0
89608	Hydrogen_Bond_Acceptor_Count	10
3946663	Defined_Atom_Stereo_Count	0
78973	XLogP3-AA	9.2
58323974	TPSA	0
6433415	Undefined_Bond_Stereo_Count	0
8118	Hydrogen_Bond_Donor_Count	0
62158	Molecular_Weight	242.23
245	Undefined_Atom_Stereo_Count	10
75657	Isotope_Atom_Count	0
48758	Hydrogen_Bond_Acceptor_Count	3
68321905	Hydrogen_Bond_Donor_Count	1
5329027	Non-hydrogen_Atom_Count	29
91185	Defined_Atom_Stereo_Count	0
445461	Undefined_Bond_Stereo_Count	0
62820	TPSA	113
140535901	Rotatable_Bond_Count	1
69917	Rotatable_Bond_Count	2
22920	Defined_Bond_Stereo_Count	0
4331	Rotatable_Bond_Count	13
12453880	Undefined_Bond_Stereo_Count	0
59446219	Isotope_Atom_Count	0
4078	Undefined_Bond_Stereo_Count	0
11590255	Defined_Bond_Stereo_Count	0
12500500	Hydrogen_Bond_Donor_Count	0
122197	Mono_Isotopic_Weight	431.07575
12636246	Structure_Complexity	72.5
5364553	Undefined_Bond_Stereo_Count	0
139771583	Non-hydrogen_Atom_Count	8
44520830	Covalent_Unit_Count	1
10451635	Mono_Isotopic_Weight	367.94803
27304	Non-hydrogen_Atom_Count	10
11237985	Mono_Isotopic_Weight	536.2765481
6992027	Defined_Atom_Stereo_Count	1
149697	Isotope_Atom_Count	0
154824089	Structure_Complexity	653
119098289	Hydrogen_Bond_Donor_Count	1
122403924	Hydrogen_Bond_Acceptor_Count	18
21753162	Non-hydrogen_Atom_Count	8
102488279	Rotatable_Bond_Count	1
562087	Mono_Isotopic_Weight	206.094294304
53717135	Exact_Mass	98.073164938
31190	Hydrogen_Bond_Acceptor_Count	3
18713388	Undefined_Atom_Stereo_Count	0
17520	Non-hydrogen_Atom_Count	10
67947	Rotatable_Bond_Count	1
9806489	Hydrogen_Bond_Donor_Count	2
9010	Exact_Mass	547.88236
2193	Covalent_Unit_Count	1
131886705	Hydrogen_Bond_Donor_Count	1
738658	Non-hydrogen_Atom_Count	17
15576830	Mono_Isotopic_Weight	98.084398327
67379186	Isotope_Atom_Count	0
9804302	Covalent_Unit_Count	1
71019	Isotope_Atom_Count	0
9833652	Defined_Atom_Stereo_Count	12
11508377	Tautomer_Count	1
2796	Rotatable_Bond_Count	5
57927934	Undefined_Bond_Stereo_Count	0
10251042	Rotatable_Bond_Count	3
9913767	Isotope_Atom_Count	0
5287969	Non-hydrogen_Atom_Count	28
10287749	Total_Formal_Charge	0
12218432	Mono_Isotopic_Weight	110.084398327
5311211	Undefined_Bond_Stereo_Count	0
129821916	Rotatable_Bond_Count	4
3064224	Undefined_Bond_Stereo_Count	0
137997	XLogP3-AA	3.9
413523	TPSA	30.9
20996	TPSA	0
20054871	Rotatable_Bond_Count	7
6419915	Defined_Bond_Stereo_Count	0
131954608	Hydrogen_Bond_Acceptor_Count	9
24866519	Undefined_Atom_Stereo_Count	0
54479104	Exact_Mass	101.084063974
174240	Hydrogen_Bond_Donor_Count	1
398743	Defined_Atom_Stereo_Count	0
91475	Undefined_Bond_Stereo_Count	0
9627	Defined_Atom_Stereo_Count	0
123779218	Non-hydrogen_Atom_Count	8
16237	Rotatable_Bond_Count	5
9188	Mono_Isotopic_Weight	234.05032149
153270	Exact_Mass	523.20669828
136888	Defined_Bond_Stereo_Count	0
53320169	Undefined_Atom_Stereo_Count	0
529389	Covalent_Unit_Count	1
90753032	Undefined_Bond_Stereo_Count	0
23282942	Exact_Mass	98.084398327
13528	Exact_Mass	104.0028925
123190012	Defined_Bond_Stereo_Count	0
10920451	Total_Formal_Charge	0
24822135	Undefined_Bond_Stereo_Count	0
13885286	Structure_Complexity	318
49243	Structure_Complexity	338
20890	Undefined_Bond_Stereo_Count	0
66586218	Defined_Atom_Stereo_Count	3
4615	Molecular_Weight	426.6
98764	Isotope_Atom_Count	0
4369496	Isotope_Atom_Count	0
9850056	Defined_Bond_Stereo_Count	0
986	Covalent_Unit_Count	1
387179	Defined_Atom_Stereo_Count	0
34072	Defined_Bond_Stereo_Count	0
58407	Rotatable_Bond_Count	9
145454105	TPSA	193
59742	Hydrogen_Bond_Acceptor_Count	7
79783	Structure_Complexity	54.3
24848235	Hydrogen_Bond_Donor_Count	1
4760	Defined_Bond_Stereo_Count	0
19920	XLogP3-AA	0.6
30923	Structure_Complexity	216
57396468	Hydrogen_Bond_Donor_Count	2
71384	Exact_Mass	268.11715500
3268	Non-hydrogen_Atom_Count	33
9543187	Covalent_Unit_Count	1
9887812	Total_Formal_Charge	0
68490094	Total_Formal_Charge	0
161973	Rotatable_Bond_Count	11
4906599	Total_Formal_Charge	0
45073462	Rotatable_Bond_Count	4
73829111	Non-hydrogen_Atom_Count	7
66316	Non-hydrogen_Atom_Count	15
92246	Undefined_Atom_Stereo_Count	0
141034029	Exact_Mass	111.032028402
6436135	Undefined_Bond_Stereo_Count	0
5230	Rotatable_Bond_Count	3
16722832	XLogP3-AA	4.2
91994885	Undefined_Bond_Stereo_Count	0
57384039	Hydrogen_Bond_Acceptor_Count	5
63134	TPSA	32.7
46936357	Hydrogen_Bond_Donor_Count	2
961	Tautomer_Count	1
91693	Exact_Mass	283.0643029
54585032	Structure_Complexity	337
12599352	Defined_Atom_Stereo_Count	0
421	Covalent_Unit_Count	1
3493	Covalent_Unit_Count	1
10754	Non-hydrogen_Atom_Count	16
13443454	TPSA	20.2
18923030	Undefined_Bond_Stereo_Count	0
13034936	Rotatable_Bond_Count	14
3033928	Defined_Atom_Stereo_Count	9
442072	Undefined_Bond_Stereo_Count	0
59119	Defined_Atom_Stereo_Count	0
148676572	Isotope_Atom_Count	0
6009	Structure_Complexity	343
34756	Defined_Bond_Stereo_Count	0
6973628	TPSA	17.1
14453671	Rotatable_Bond_Count	1
135418296	Tautomer_Count	5
37888437	Isotope_Atom_Count	0
86307	TPSA	49.4
21909502	Non-hydrogen_Atom_Count	18
138950	Covalent_Unit_Count	1
24321	Non-hydrogen_Atom_Count	22
906143	Non-hydrogen_Atom_Count	13
52941462	Exact_Mass	350.199428076
71452602	Isotope_Atom_Count	0
5447130	Non-hydrogen_Atom_Count	14
16688300	Non-hydrogen_Atom_Count	40
24184393	Undefined_Bond_Stereo_Count	0
11998	Mono_Isotopic_Weight	142.0297759
60196414	Undefined_Atom_Stereo_Count	2
54480591	Undefined_Bond_Stereo_Count	1
58506875	Covalent_Unit_Count	1
148201	Total_Formal_Charge	0
24824	Undefined_Bond_Stereo_Count	0
6946312	Hydrogen_Bond_Acceptor_Count	2
137699188	Covalent_Unit_Count	1
6358	Undefined_Bond_Stereo_Count	0
71458869	Defined_Atom_Stereo_Count	0
57590	Total_Formal_Charge	0
2455	XLogP3-AA	3.8
13597991	Isotope_Atom_Count	0
45588096	Structure_Complexity	10300
13725871	Non-hydrogen_Atom_Count	7
93357	Isotope_Atom_Count	0
79016	Covalent_Unit_Count	1
7472	Rotatable_Bond_Count	1
7403	Structure_Complexity	183
20913	Undefined_Atom_Stereo_Count	0
13844112	Undefined_Atom_Stereo_Count	0
15950514	Defined_Bond_Stereo_Count	0
32719	Hydrogen_Bond_Acceptor_Count	1
2733939	Non-hydrogen_Atom_Count	25
60149	Undefined_Atom_Stereo_Count	0
20729555	Exact_Mass	114.104465066
221126	Exact_Mass	204.93885
20930	Total_Formal_Charge	0
76985	Hydrogen_Bond_Acceptor_Count	2
2321753	Hydrogen_Bond_Donor_Count	1
71455340	Undefined_Atom_Stereo_Count	1
20054871	Covalent_Unit_Count	1
77445309	Mono_Isotopic_Weight	114.104465066
3743617	Undefined_Bond_Stereo_Count	0
68401	Undefined_Bond_Stereo_Count	0
38200	Non-hydrogen_Atom_Count	21
9812710	Covalent_Unit_Count	2
51035	Non-hydrogen_Atom_Count	14
16733194	Undefined_Atom_Stereo_Count	0
25607	Hydrogen_Bond_Acceptor_Count	0
51003592	Exact_Mass	257.06228316
31170	Defined_Bond_Stereo_Count	0
13003788	Mono_Isotopic_Weight	110.073164938
440959	Exact_Mass	161.06880783
88154	Undefined_Atom_Stereo_Count	0
11974	Hydrogen_Bond_Donor_Count	4
42807	Isotope_Atom_Count	0
325	Hydrogen_Bond_Donor_Count	1
11377	Tautomer_Count	4
68099555	TPSA	24.7
156907991	Covalent_Unit_Count	2
73415816	Exact_Mass	482.0563357
521204	Mono_Isotopic_Weight	347.224914549
12964	Rotatable_Bond_Count	2
10217	Structure_Complexity	538
360	Hydrogen_Bond_Acceptor_Count	9
658	Total_Formal_Charge	0
13556	Hydrogen_Bond_Acceptor_Count	0
78096	Hydrogen_Bond_Donor_Count	3
71742706	Molecular_Weight	114.14
762556	Undefined_Atom_Stereo_Count	0
12313849	Total_Formal_Charge	0
5284503	Covalent_Unit_Count	1
5791	Tautomer_Count	10
78485	Tautomer_Count	1
27501	Rotatable_Bond_Count	6
33741	Structure_Complexity	282
81669	Undefined_Atom_Stereo_Count	0
9117	TPSA	0
53723270	Mono_Isotopic_Weight	112.063662883
7282	Undefined_Atom_Stereo_Count	0
77259647	Covalent_Unit_Count	1
23461437	Non-hydrogen_Atom_Count	8
89590	Exact_Mass	164.083729621
123940588	Hydrogen_Bond_Acceptor_Count	2
16070111	Mono_Isotopic_Weight	416.20597001
309	Defined_Atom_Stereo_Count	0
523523	Mono_Isotopic_Weight	96.093900383
114905	Rotatable_Bond_Count	14
13272656	Isotope_Atom_Count	0
15564	Defined_Atom_Stereo_Count	0
165345	Defined_Atom_Stereo_Count	0
10477191	Structure_Complexity	612
13189	Tautomer_Count	1
65079	Non-hydrogen_Atom_Count	45
272833	Mono_Isotopic_Weight	364.10929292
3662	Molecular_Weight	536.8
439280	Undefined_Bond_Stereo_Count	0
297691	Rotatable_Bond_Count	3
235713	Isotope_Atom_Count	0
443940	Non-hydrogen_Atom_Count	15
21702782	Hydrogen_Bond_Donor_Count	0
57514685	Exact_Mass	684.01028135
156651923	Undefined_Atom_Stereo_Count	2
236487	Isotope_Atom_Count	0
44358318	XLogP3-AA	4.4
6568	Hydrogen_Bond_Acceptor_Count	1
41023	Tautomer_Count	1
33567	Structure_Complexity	2
69336	Covalent_Unit_Count	1
408793	Structure_Complexity	331
44401302	Defined_Bond_Stereo_Count	0
97617	Defined_Atom_Stereo_Count	0
9354	Hydrogen_Bond_Donor_Count	4
19176	Isotope_Atom_Count	0
135556680	Structure_Complexity	119
21947198	Defined_Atom_Stereo_Count	0
135659064	Hydrogen_Bond_Acceptor_Count	19
6917976	Rotatable_Bond_Count	15
58544	Covalent_Unit_Count	1
139105	Isotope_Atom_Count	0
14497	Defined_Atom_Stereo_Count	0
135626366	Undefined_Atom_Stereo_Count	0
66136	Total_Formal_Charge	0
12305738	Undefined_Bond_Stereo_Count	0
2167092	Tautomer_Count	1
93320	Defined_Bond_Stereo_Count	0
23418	TPSA	96.3
53848219	Molecular_Weight	100.08
18393	Rotatable_Bond_Count	3
134688588	XLogP3-AA	4.1
2900	Total_Formal_Charge	0
52942478	Covalent_Unit_Count	1
4108	Mono_Isotopic_Weight	582.48727723
49928	TPSA	0
7588	Exact_Mass	298.168127949
64962	Isotope_Atom_Count	0
287180	TPSA	70.5
10261060	Undefined_Atom_Stereo_Count	0
841462	Mono_Isotopic_Weight	333.0390411
6955724	TPSA	44.3
11908488	Undefined_Bond_Stereo_Count	0
71777	Undefined_Bond_Stereo_Count	0
18735	Non-hydrogen_Atom_Count	17
153241	Covalent_Unit_Count	1
22611003	Undefined_Atom_Stereo_Count	0
183812	Non-hydrogen_Atom_Count	31
74736	Exact_Mass	211.099714038
11969465	Defined_Bond_Stereo_Count	0
8715	Structure_Complexity	97.1
74570	Mono_Isotopic_Weight	162.9955546
3086157	Defined_Bond_Stereo_Count	0
10255142	Covalent_Unit_Count	2
3048356	Mono_Isotopic_Weight	321.209264485
10885665	Structure_Complexity	745
44195064	Structure_Complexity	213
4937	Molecular_Weight	229.71
57461922	Mono_Isotopic_Weight	98.060588879
66330	Exact_Mass	178.062994177
595928	Isotope_Atom_Count	0
13248582	Molecular_Weight	113.16
133923	Tautomer_Count	1
19502	Exact_Mass	112.125200510
129009973	Defined_Atom_Stereo_Count	4
70685868	Isotope_Atom_Count	0
3832	Undefined_Bond_Stereo_Count	0
101576	Hydrogen_Bond_Acceptor_Count	1
70128954	Defined_Atom_Stereo_Count	0
135446965	Defined_Bond_Stereo_Count	0
449487	Undefined_Bond_Stereo_Count	0
57856017	Rotatable_Bond_Count	0
15938	Total_Formal_Charge	0
22563	Structure_Complexity	142
39230	Undefined_Atom_Stereo_Count	0
5288706	Mono_Isotopic_Weight	485.27536898
23663979	Defined_Atom_Stereo_Count	4
51256	TPSA	0
72427	Hydrogen_Bond_Acceptor_Count	10
6440764	Molecular_Weight	574.3
71972	Hydrogen_Bond_Acceptor_Count	6
64459	Covalent_Unit_Count	1
101333850	Defined_Atom_Stereo_Count	2
12973	Covalent_Unit_Count	1
7582	Undefined_Bond_Stereo_Count	0
1201445	Undefined_Atom_Stereo_Count	0
164330	Mono_Isotopic_Weight	1397.576390
107275	Defined_Bond_Stereo_Count	0
156232885	Hydrogen_Bond_Acceptor_Count	12
17898580	Non-hydrogen_Atom_Count	7
110635	Defined_Atom_Stereo_Count	2
151173	Undefined_Bond_Stereo_Count	0
15004699	Structure_Complexity	82.6
131750287	Hydrogen_Bond_Acceptor_Count	9
4555	Defined_Bond_Stereo_Count	0
4109	Defined_Bond_Stereo_Count	0
13068894	TPSA	17.1
46781058	Covalent_Unit_Count	3
33	Isotope_Atom_Count	0
15789248	Total_Formal_Charge	0
16134395	Total_Formal_Charge	0
8143	Mono_Isotopic_Weight	129.151749610
9909846	Rotatable_Bond_Count	6
117965	Exact_Mass	324.1968412
69503325	Rotatable_Bond_Count	0
442912	Non-hydrogen_Atom_Count	24
694728	Defined_Atom_Stereo_Count	0
2729	Isotope_Atom_Count	0
5283547	Undefined_Bond_Stereo_Count	0
659218	Structure_Complexity	315
9966516	Undefined_Atom_Stereo_Count	0
115219	TPSA	137
18618	Isotope_Atom_Count	0
151117	Covalent_Unit_Count	1
5175	Covalent_Unit_Count	1
3081	Hydrogen_Bond_Acceptor_Count	3
37144	TPSA	17.1
5362457	Hydrogen_Bond_Acceptor_Count	5
23677058	Hydrogen_Bond_Acceptor_Count	3
3943	Hydrogen_Bond_Acceptor_Count	9
5905	Exact_Mass	353.97127
5227	Hydrogen_Bond_Acceptor_Count	3
20202559	Total_Formal_Charge	0
538972	Exact_Mass	110.048012819
12271346	Non-hydrogen_Atom_Count	8
21417010	Structure_Complexity	146
168256	Exact_Mass	418.08010079
17778385	TPSA	38.6
19080487	Exact_Mass	98.073164938
71076901	Mono_Isotopic_Weight	342.11621151
139758	Exact_Mass	164.156500638
58528	Total_Formal_Charge	0
59664	TPSA	95.5
4349	Undefined_Bond_Stereo_Count	0
9800555	Defined_Atom_Stereo_Count	0
15707890	Molecular_Weight	111.10
124143	Isotope_Atom_Count	0
5282315	Tautomer_Count	5
123671769	Undefined_Atom_Stereo_Count	0
2180	Tautomer_Count	1
160410	Tautomer_Count	1
5329106	Molecular_Weight	396.5
5047019	Defined_Atom_Stereo_Count	0
115011059	Total_Formal_Charge	0
25263414	Non-hydrogen_Atom_Count	21
8820	Molecular_Weight	99.09
2766305	Defined_Bond_Stereo_Count	0
14865900	Non-hydrogen_Atom_Count	8
118984450	Total_Formal_Charge	0
96759	Hydrogen_Bond_Donor_Count	2
5462350	Defined_Atom_Stereo_Count	4
59648875	Total_Formal_Charge	0
5458653	Non-hydrogen_Atom_Count	13
44146693	Exact_Mass	301.17027382
1119	Undefined_Atom_Stereo_Count	0
55472	Rotatable_Bond_Count	21
135564558	Mono_Isotopic_Weight	395.20697307
54288820	Undefined_Atom_Stereo_Count	1
68321898	Defined_Bond_Stereo_Count	0
2759227	Exact_Mass	253.05863707
41386	Undefined_Atom_Stereo_Count	1
9957090	Hydrogen_Bond_Acceptor_Count	8
146159249	Non-hydrogen_Atom_Count	27
61286	Defined_Bond_Stereo_Count	0
69588	Undefined_Bond_Stereo_Count	0
60752	Total_Formal_Charge	0
71240	Isotope_Atom_Count	0
132917192	Mono_Isotopic_Weight	152.92141
93521	Defined_Bond_Stereo_Count	0
10258	Covalent_Unit_Count	1
7177	Total_Formal_Charge	0
239041	Rotatable_Bond_Count	0
60155100	XLogP3-AA	2.7
7409	Undefined_Bond_Stereo_Count	0
3923	Hydrogen_Bond_Donor_Count	2
22057568	Hydrogen_Bond_Donor_Count	0
64418	XLogP3	3.1
101602	Defined_Atom_Stereo_Count	0
10171348	Undefined_Bond_Stereo_Count	0
4809	Non-hydrogen_Atom_Count	43
263077	Defined_Bond_Stereo_Count	0
12433	Isotope_Atom_Count	0
529275	XLogP3-AA	3.1
9952884	Hydrogen_Bond_Acceptor_Count	10
3084667	Total_Formal_Charge	0
9974756	Total_Formal_Charge	0
6442003	Tautomer_Count	1
5923	Non-hydrogen_Atom_Count	13
15026073	Non-hydrogen_Atom_Count	7
7551	XLogP3	3.2
135665263	Undefined_Atom_Stereo_Count	0
104769	Isotope_Atom_Count	0
62542	Undefined_Atom_Stereo_Count	0
6219	Non-hydrogen_Atom_Count	22
143399	Undefined_Atom_Stereo_Count	0
5561	Defined_Atom_Stereo_Count	0
25201794	Isotope_Atom_Count	0
66620431	Non-hydrogen_Atom_Count	19
12623293	Tautomer_Count	1
20465	Covalent_Unit_Count	1
7026	Non-hydrogen_Atom_Count	19
10756746	Hydrogen_Bond_Acceptor_Count	6
68186	Undefined_Bond_Stereo_Count	0
5702044	Undefined_Atom_Stereo_Count	6
18736159	Isotope_Atom_Count	0
89416	Hydrogen_Bond_Acceptor_Count	1
31203	Total_Formal_Charge	1
73170	Non-hydrogen_Atom_Count	31
24685	Tautomer_Count	2
6437379	Total_Formal_Charge	0
6321	Non-hydrogen_Atom_Count	9
4178	Covalent_Unit_Count	1
9931954	Rotatable_Bond_Count	3
107670	Covalent_Unit_Count	1
5497195	Hydrogen_Bond_Donor_Count	5
26560	Undefined_Bond_Stereo_Count	0
21496049	Covalent_Unit_Count	1
11870241	Covalent_Unit_Count	1
18471709	Rotatable_Bond_Count	3
18075	Tautomer_Count	20
145706074	Undefined_Atom_Stereo_Count	25
16683101	Rotatable_Bond_Count	3
41552	TPSA	26.3
163698895	Undefined_Atom_Stereo_Count	1
9956127	Exact_Mass	465.10462207
68891	Mono_Isotopic_Weight	408.019911
64813	Exact_Mass	178.099379685
7779	Molecular_Weight	182.26
3679	Covalent_Unit_Count	1
7577	Non-hydrogen_Atom_Count	15
27491	Total_Formal_Charge	0
60700	Hydrogen_Bond_Acceptor_Count	7
25137918	Structure_Complexity	710
87468707	Rotatable_Bond_Count	3
51029964	Exact_Mass	463.18894022
6418362	XLogP3-AA	2.7
45086592	Mono_Isotopic_Weight	133.07389321
169743	Tautomer_Count	2
12260	TPSA	0
399	Undefined_Atom_Stereo_Count	0
13795008	Exact_Mass	97.052763847
120070	Undefined_Atom_Stereo_Count	0
90565	Hydrogen_Bond_Donor_Count	3
5312115	Defined_Atom_Stereo_Count	2
42608159	Undefined_Atom_Stereo_Count	1
131411056	Mono_Isotopic_Weight	108.068748264
143670559	Undefined_Atom_Stereo_Count	2
60196361	Structure_Complexity	249
22636790	Rotatable_Bond_Count	3
7030	Defined_Bond_Stereo_Count	0
34055	Rotatable_Bond_Count	6
17531	Defined_Bond_Stereo_Count	0
9964188	Total_Formal_Charge	0
7649	TPSA	26.3
404566	Rotatable_Bond_Count	5
82418997	Non-hydrogen_Atom_Count	8
6520	Undefined_Atom_Stereo_Count	0
12607584	Undefined_Bond_Stereo_Count	0
14456	TPSA	27.7
23262897	Mono_Isotopic_Weight	114.068079557
170359	Defined_Atom_Stereo_Count	0
73707684	Non-hydrogen_Atom_Count	7
45259044	Hydrogen_Bond_Acceptor_Count	4
129794671	Undefined_Bond_Stereo_Count	2
56842037	TPSA	2040
5274	Exact_Mass	732.44620027
2346	Molecular_Weight	149.21
15197399	Hydrogen_Bond_Donor_Count	1
6572	Total_Formal_Charge	0
18757800	Isotope_Atom_Count	0
16073	TPSA	38.3
11531799	Hydrogen_Bond_Donor_Count	2
58890069	Structure_Complexity	1830
16197724	Tautomer_Count	986
2468	Total_Formal_Charge	0
13838145	Undefined_Bond_Stereo_Count	0
13595226	Defined_Bond_Stereo_Count	0
96776	Mono_Isotopic_Weight	232.157563266
10823890	Undefined_Bond_Stereo_Count	0
11497983	Hydrogen_Bond_Acceptor_Count	12
11783895	Undefined_Bond_Stereo_Count	0
454110	Undefined_Bond_Stereo_Count	0
31236	Defined_Bond_Stereo_Count	0
53465849	Undefined_Bond_Stereo_Count	0
70677682	Undefined_Atom_Stereo_Count	0
8200	Structure_Complexity	78.6
14236864	Hydrogen_Bond_Donor_Count	2
153	Defined_Atom_Stereo_Count	0
45278337	Total_Formal_Charge	0
9802545	Covalent_Unit_Count	1
19375004	TPSA	35.3
233707	XLogP3-AA	0.8
448002	Hydrogen_Bond_Donor_Count	2
1864	Non-hydrogen_Atom_Count	18
141329202	Defined_Bond_Stereo_Count	0
146678	Hydrogen_Bond_Donor_Count	3
101836	TPSA	0
23422644	Covalent_Unit_Count	1
88398	XLogP3-AA	1.1
6993773	Mono_Isotopic_Weight	135.104799419
424747	Hydrogen_Bond_Donor_Count	0
441383	Rotatable_Bond_Count	8
16668	Non-hydrogen_Atom_Count	12
485	Defined_Bond_Stereo_Count	0
442972	Total_Formal_Charge	0
445039	Hydrogen_Bond_Acceptor_Count	8
445	Undefined_Bond_Stereo_Count	0
6473	Defined_Bond_Stereo_Count	0
86472	Exact_Mass	472.39164552
491941	TPSA	143
11571555	Isotope_Atom_Count	0
5488638	Structure_Complexity	1790
10255482	Undefined_Bond_Stereo_Count	0
69819	Covalent_Unit_Count	1
71310692	Covalent_Unit_Count	1
18186100	Mono_Isotopic_Weight	101.00476828
119693	Exact_Mass	103.099714038
92421	Molecular_Weight	252.26
53628842	Structure_Complexity	116
30278	Undefined_Bond_Stereo_Count	0
19930642	Non-hydrogen_Atom_Count	7
140719461	TPSA	21.6
596	Non-hydrogen_Atom_Count	17
23706211	Hydrogen_Bond_Acceptor_Count	9
46173706	Defined_Bond_Stereo_Count	0
492	Total_Formal_Charge	0
70390	XLogP3-AA	3.9
926580	Undefined_Atom_Stereo_Count	0
28145931	Molecular_Weight	388.9
98051220	Defined_Bond_Stereo_Count	0
6454087	Undefined_Bond_Stereo_Count	0
23713879	Undefined_Atom_Stereo_Count	0
11519	TPSA	0
153734195	Isotope_Atom_Count	0
15630	Non-hydrogen_Atom_Count	12
11908490	Non-hydrogen_Atom_Count	23
121596705	Defined_Bond_Stereo_Count	0
21594228	Hydrogen_Bond_Acceptor_Count	7
11647372	Mono_Isotopic_Weight	417.17247926
77751	Defined_Bond_Stereo_Count	0
28417	Covalent_Unit_Count	1
11126189	Exact_Mass	100.052429494
686073	Undefined_Bond_Stereo_Count	0
67938	Exact_Mass	197.901768
22451318	Hydrogen_Bond_Acceptor_Count	2
90657341	XLogP3	0.6
12921228	Molecular_Weight	93.09
6992111	Undefined_Bond_Stereo_Count	0
141024055	Covalent_Unit_Count	1
50943013	Isotope_Atom_Count	0
20377046	Molecular_Weight	115.17
136725	Tautomer_Count	1
38350	Defined_Bond_Stereo_Count	0
93128	Defined_Atom_Stereo_Count	0
87535084	Molecular_Weight	114.14
521196	Hydrogen_Bond_Donor_Count	0
2347	Hydrogen_Bond_Donor_Count	0
4320774	Molecular_Weight	309.4
18624859	Structure_Complexity	52.5
19966	Exact_Mass	84.093900383
135421876	Defined_Bond_Stereo_Count	0
95455	Total_Formal_Charge	0
633	TPSA	34.1
17820196	Hydrogen_Bond_Acceptor_Count	1
21924633	Covalent_Unit_Count	1
18981712	Exact_Mass	85.089149355
125409	Covalent_Unit_Count	1
5702628	TPSA	40.5
54234	Undefined_Bond_Stereo_Count	0
69088	Exact_Mass	159.068413911
48918	Molecular_Weight	269.34
6918141	Covalent_Unit_Count	1
46591	Exact_Mass	215.175952981
67259771	Rotatable_Bond_Count	9
71744109	Molecular_Weight	112.17
123336	Defined_Bond_Stereo_Count	0
6440877	Isotope_Atom_Count	0
31200	Non-hydrogen_Atom_Count	17
120096	Defined_Atom_Stereo_Count	0
261000	Hydrogen_Bond_Donor_Count	1
12269	Molecular_Weight	238.45
80032	Isotope_Atom_Count	0
25213	Exact_Mass	287.13688739
66509087	Hydrogen_Bond_Acceptor_Count	12
8376	Mono_Isotopic_Weight	227.01783489
16167454	Non-hydrogen_Atom_Count	144
12310948	Rotatable_Bond_Count	0
3038	Structure_Complexity	452
114690178	Molecular_Weight	107.11
16732167	Non-hydrogen_Atom_Count	25
21057641	Covalent_Unit_Count	1
10255246	Molecular_Weight	495.7
40467109	Defined_Bond_Stereo_Count	0
44724350	TPSA	36.9
66545758	Hydrogen_Bond_Donor_Count	2
79297905	Defined_Bond_Stereo_Count	0
13144653	XLogP3-AA	0.4
19040543	Mono_Isotopic_Weight	89.084063974
196822	Isotope_Atom_Count	0
2674	Undefined_Atom_Stereo_Count	2
441301	Total_Formal_Charge	0
71587637	TPSA	29.5
11389	Defined_Bond_Stereo_Count	0
69507	Molecular_Weight	260.14
396765	Undefined_Bond_Stereo_Count	4
55910	Exact_Mass	306.07316
13253262	Molecular_Weight	96.08
3744783	Exact_Mass	84.068748264
46193079	XLogP3	8.1
55445	Structure_Complexity	207
64781	Hydrogen_Bond_Acceptor_Count	7
20626699	Rotatable_Bond_Count	2
31005	Defined_Bond_Stereo_Count	0
18530292	Defined_Bond_Stereo_Count	0
56654130	Defined_Bond_Stereo_Count	0
5257187	Structure_Complexity	304
13306877	Structure_Complexity	82.6
4382	Hydrogen_Bond_Acceptor_Count	3
24883466	Isotope_Atom_Count	0
119716	XLogP3	3.4
6025	Total_Formal_Charge	0
89306	Covalent_Unit_Count	1
6450546	Mono_Isotopic_Weight	374.0224976
70693550	Covalent_Unit_Count	1
79784	Total_Formal_Charge	0
210739	Exact_Mass	251.13438547
11849	Isotope_Atom_Count	0
475318	Hydrogen_Bond_Donor_Count	1
22615	Isotope_Atom_Count	0
104850	Total_Formal_Charge	0
159	Defined_Bond_Stereo_Count	0
164106781	Rotatable_Bond_Count	0
65108	Structure_Complexity	274
154518370	Undefined_Atom_Stereo_Count	0
3034336	Structure_Complexity	101
6871	Exact_Mass	216.09977361
98	Undefined_Bond_Stereo_Count	0
71985	Total_Formal_Charge	0
51392	Exact_Mass	284.282763776
22875828	Exact_Mass	390.18425212
32322	Isotope_Atom_Count	0
4675622	Hydrogen_Bond_Acceptor_Count	4
7921	Structure_Complexity	88.1
11185	Hydrogen_Bond_Donor_Count	0
97702	Isotope_Atom_Count	0
32123	Hydrogen_Bond_Donor_Count	2
2795	Hydrogen_Bond_Acceptor_Count	2
43905	Undefined_Bond_Stereo_Count	0
91738	Hydrogen_Bond_Donor_Count	1
85904461	Undefined_Atom_Stereo_Count	4
85588	Hydrogen_Bond_Donor_Count	0
3525005	Mono_Isotopic_Weight	116.047344113
74453	Undefined_Bond_Stereo_Count	0
101574147	Undefined_Bond_Stereo_Count	0
9664	XLogP3-AA	1.5
69262871	Defined_Atom_Stereo_Count	0
4066093	Covalent_Unit_Count	1
11547499	Isotope_Atom_Count	0
522446	Covalent_Unit_Count	1
19621	Hydrogen_Bond_Acceptor_Count	13
23692128	Hydrogen_Bond_Donor_Count	3
450503	Covalent_Unit_Count	1
484646	Covalent_Unit_Count	1
198965	Exact_Mass	354.864281
3078952	Non-hydrogen_Atom_Count	16
21430458	Exact_Mass	117.078978594
62786	Molecular_Weight	231.72
155465	Rotatable_Bond_Count	0
10125445	Undefined_Bond_Stereo_Count	0
142559332	Hydrogen_Bond_Acceptor_Count	1
3013853	Total_Formal_Charge	0
55624	Covalent_Unit_Count	1
6861	Total_Formal_Charge	0
19843256	Defined_Atom_Stereo_Count	0
5316860	Hydrogen_Bond_Acceptor_Count	9
5487888	Defined_Atom_Stereo_Count	2
10114	Defined_Bond_Stereo_Count	0
67137411	Molecular_Weight	111.06
158403	Defined_Atom_Stereo_Count	0
64961	Undefined_Atom_Stereo_Count	0
59999517	Mono_Isotopic_Weight	113.047678466
70687305	Total_Formal_Charge	0
46781844	Hydrogen_Bond_Acceptor_Count	7
32359	Defined_Atom_Stereo_Count	0
16136	Undefined_Atom_Stereo_Count	0
139590844	Isotope_Atom_Count	0
13521831	Hydrogen_Bond_Acceptor_Count	1
5721	Non-hydrogen_Atom_Count	23
10972974	XLogP3-AA	4.8
5392	Total_Formal_Charge	0
35935	Mono_Isotopic_Weight	251.0713064
25244090	Molecular_Weight	198.18
71210615	Defined_Bond_Stereo_Count	0
123841971	Defined_Bond_Stereo_Count	0
22481847	Hydrogen_Bond_Acceptor_Count	2
20382009	Exact_Mass	112.088815002
72999858	Mono_Isotopic_Weight	458.30322444
34574	Defined_Atom_Stereo_Count	0
44395051	Hydrogen_Bond_Donor_Count	2
67413	TPSA	284
73093	Undefined_Atom_Stereo_Count	0
779642	Covalent_Unit_Count	1
3811882	Undefined_Atom_Stereo_Count	0
10470544	Total_Formal_Charge	0
144404363	Hydrogen_Bond_Acceptor_Count	2
69334703	Undefined_Bond_Stereo_Count	0
10080395	Molecular_Weight	120.58
448223	Covalent_Unit_Count	1
82513	Defined_Atom_Stereo_Count	0
4422	Isotope_Atom_Count	0
78358496	Hydrogen_Bond_Acceptor_Count	11
23549397	Total_Formal_Charge	0
5354076	Hydrogen_Bond_Acceptor_Count	2
201828	Defined_Atom_Stereo_Count	0
43592	Mono_Isotopic_Weight	542.03482507
18521	TPSA	42.5
54766	Hydrogen_Bond_Acceptor_Count	6
65872	Mono_Isotopic_Weight	359.25727730
10184774	Isotope_Atom_Count	0
12754038	Defined_Bond_Stereo_Count	0
27989	XLogP3-AA	0.1
46220	Structure_Complexity	152
44310775	Mono_Isotopic_Weight	375.21580641
737804	Hydrogen_Bond_Acceptor_Count	4
17170	Hydrogen_Bond_Acceptor_Count	3
17903417	Rotatable_Bond_Count	13
22715624	Mono_Isotopic_Weight	84.057514874
12210211	Non-hydrogen_Atom_Count	8
10229	Rotatable_Bond_Count	0
5281088	Hydrogen_Bond_Acceptor_Count	2
19917	Hydrogen_Bond_Donor_Count	1
73423	Isotope_Atom_Count	0
12720844	Total_Formal_Charge	0
710762	Molecular_Weight	270.28
11632418	Exact_Mass	384.1483669
346327	Rotatable_Bond_Count	3
15731	Structure_Complexity	161
60203	Structure_Complexity	237
65422334	Isotope_Atom_Count	0
122415	Exact_Mass	154.135765193
6950578	Undefined_Bond_Stereo_Count	0
105106119	Mono_Isotopic_Weight	114.068079557
5248373	Covalent_Unit_Count	1
20793292	TPSA	9.2
5282184	Molecular_Weight	308.5
115017	Mono_Isotopic_Weight	152.062600255
3058751	TPSA	35.2
141350819	Structure_Complexity	107
9822750	Undefined_Bond_Stereo_Count	0
64350	Defined_Atom_Stereo_Count	0
23622607	Defined_Atom_Stereo_Count	10
146356470	Hydrogen_Bond_Donor_Count	1
6919170	Mono_Isotopic_Weight	329.16875960
53954226	Hydrogen_Bond_Acceptor_Count	2
17017	Mono_Isotopic_Weight	241.0981898
139920	Exact_Mass	116.120115130
5282138	Non-hydrogen_Atom_Count	36
142891	Rotatable_Bond_Count	3
33184	Hydrogen_Bond_Acceptor_Count	2
237859	Covalent_Unit_Count	1
4196	Undefined_Bond_Stereo_Count	0
13820629	Tautomer_Count	1
31803	TPSA	59
136257761	Molecular_Weight	252.70
17111	Undefined_Bond_Stereo_Count	0
56626310	Hydrogen_Bond_Donor_Count	0
1335	Molecular_Weight	133.15
320272	Hydrogen_Bond_Acceptor_Count	5
76218	Non-hydrogen_Atom_Count	5
46936405	Mono_Isotopic_Weight	316.07022733
3135	Isotope_Atom_Count	0
688020	TPSA	20.3
53846427	Structure_Complexity	688
11564168	Undefined_Bond_Stereo_Count	0
55142	Molecular_Weight	265.31
77456	TPSA	86
12642	Isotope_Atom_Count	0
14416477	Structure_Complexity	531
69267	Mono_Isotopic_Weight	153.042593085
53322382	Hydrogen_Bond_Acceptor_Count	4
117274708	Molecular_Weight	111.10
935707	Covalent_Unit_Count	1
5487542	Isotope_Atom_Count	0
16003	Defined_Atom_Stereo_Count	0
216	Hydrogen_Bond_Acceptor_Count	7
135403647	Non-hydrogen_Atom_Count	35
76324338	Covalent_Unit_Count	1
71485	Undefined_Bond_Stereo_Count	0
118975693	TPSA	29.1
34081	TPSA	177
4236	Isotope_Atom_Count	0
4518	Hydrogen_Bond_Donor_Count	2
131704328	Defined_Atom_Stereo_Count	0
35949	Non-hydrogen_Atom_Count	28
144452917	Exact_Mass	117.042593085
71450115	Defined_Bond_Stereo_Count	0
42635875	XLogP3-AA	0.2
45852	Total_Formal_Charge	0
11497983	Mono_Isotopic_Weight	587.20574689
90757303	Exact_Mass	93.057849228
22338748	Mono_Isotopic_Weight	96.057514874
3107848	XLogP3-AA	0.8
60740	Hydrogen_Bond_Acceptor_Count	2
6371716	Defined_Atom_Stereo_Count	0
89985	Covalent_Unit_Count	1
24678	Undefined_Bond_Stereo_Count	0
12785	Hydrogen_Bond_Donor_Count	2
35364	Structure_Complexity	55
49862627	Covalent_Unit_Count	1
125461706	Rotatable_Bond_Count	6
2816	Hydrogen_Bond_Donor_Count	1
91148	Isotope_Atom_Count	0
225568	TPSA	43.1
206666	Defined_Bond_Stereo_Count	0
65646	Undefined_Bond_Stereo_Count	0
12518095	TPSA	26.3
141689	Rotatable_Bond_Count	0
13353092	Defined_Atom_Stereo_Count	0
44352909	Defined_Bond_Stereo_Count	0
550880	Structure_Complexity	37.1
378443	Defined_Atom_Stereo_Count	0
71720685	Undefined_Bond_Stereo_Count	0
9917	Tautomer_Count	1
88850	Defined_Bond_Stereo_Count	0
131810	Tautomer_Count	1
56659843	TPSA	87.9
83476	Isotope_Atom_Count	0
18616638	Structure_Complexity	91.5
738681	Undefined_Atom_Stereo_Count	0
94149	Molecular_Weight	371.4
65092	TPSA	34.5
16212984	Structure_Complexity	54.9
75783	TPSA	574
76008	TPSA	4.4
56518	TPSA	20.3
44609731	Isotope_Atom_Count	0
23000221	Hydrogen_Bond_Acceptor_Count	1
30387	Undefined_Bond_Stereo_Count	0
908	Tautomer_Count	2
86063980	Hydrogen_Bond_Acceptor_Count	2
146681110	Covalent_Unit_Count	1
90943273	Hydrogen_Bond_Acceptor_Count	2
222199	Structure_Complexity	208
88371993	Defined_Bond_Stereo_Count	0
5394	Non-hydrogen_Atom_Count	14
894	Defined_Bond_Stereo_Count	0
59295938	Structure_Complexity	816
11865423	Rotatable_Bond_Count	11
3641960	Defined_Bond_Stereo_Count	0
138442	Tautomer_Count	1
129662960	Structure_Complexity	275
57587000	Structure_Complexity	84.5
2843	Rotatable_Bond_Count	11
9707	Isotope_Atom_Count	0
62092	Hydrogen_Bond_Donor_Count	0
447199	Molecular_Weight	267.24
23625548	Undefined_Atom_Stereo_Count	0
119097554	XLogP3-AA	0.7
6918663	Mono_Isotopic_Weight	401.0634615
15031685	Defined_Bond_Stereo_Count	0
13576	XLogP3	3.6
688451	Exact_Mass	236.152477885
4673	Tautomer_Count	1
8373	XLogP3	2.5
3068143	Hydrogen_Bond_Donor_Count	3
14273	Exact_Mass	107.037113783
546482	XLogP3-AA	2.3
117072582	Undefined_Atom_Stereo_Count	1
71555	Mono_Isotopic_Weight	217.0869564
532293	Mono_Isotopic_Weight	229.9901349
88045	Total_Formal_Charge	0
16723	Undefined_Atom_Stereo_Count	0
162071	Isotope_Atom_Count	0
637776	Hydrogen_Bond_Donor_Count	0
5364628	Undefined_Atom_Stereo_Count	0
5541	Covalent_Unit_Count	1
132236745	Molecular_Weight	112.17
13813927	Undefined_Atom_Stereo_Count	0
67258795	Isotope_Atom_Count	0
9939594	TPSA	231
23684827	Covalent_Unit_Count	2
11251803	Structure_Complexity	2320
5362620	Hydrogen_Bond_Acceptor_Count	1
18393	Molecular_Weight	116.20
53079	TPSA	29.1
38382	Isotope_Atom_Count	0
439530	Undefined_Bond_Stereo_Count	0
21139920	Defined_Atom_Stereo_Count	10
73648	Non-hydrogen_Atom_Count	28
1582	TPSA	304
28361	Total_Formal_Charge	0
162172	Non-hydrogen_Atom_Count	20
20134527	Exact_Mass	98.073164938
3080926	Hydrogen_Bond_Donor_Count	1
13559279	Defined_Atom_Stereo_Count	0
11769071	XLogP3-AA	1.6
8785	Non-hydrogen_Atom_Count	11
8316	Isotope_Atom_Count	0
197855	TPSA	151
498033	Exact_Mass	209.08475519
6114	Defined_Bond_Stereo_Count	0
24386	Covalent_Unit_Count	1
3654	Undefined_Bond_Stereo_Count	1
9841075	Hydrogen_Bond_Acceptor_Count	4
10962	TPSA	0
23283001	Exact_Mass	108.093900383
49866692	Exact_Mass	293.1294900
13400858	Undefined_Atom_Stereo_Count	1
11953887	Mono_Isotopic_Weight	1582.6453481
10429739	Non-hydrogen_Atom_Count	27
24680	Hydrogen_Bond_Acceptor_Count	1
968	Undefined_Bond_Stereo_Count	0
69020	Undefined_Atom_Stereo_Count	0
6704	Covalent_Unit_Count	1
44571224	Undefined_Bond_Stereo_Count	0
9260	Hydrogen_Bond_Acceptor_Count	2
11829368	Isotope_Atom_Count	0
20648808	Total_Formal_Charge	0
55288429	XLogP3-AA	1.2
15723	Molecular_Weight	267.4
53320114	Undefined_Atom_Stereo_Count	0
134129858	Molecular_Weight	439.0
6971017	Structure_Complexity	89.6
74760	Rotatable_Bond_Count	1
32413	Defined_Bond_Stereo_Count	0
542606	XLogP3	0.1
4358655	Defined_Bond_Stereo_Count	0
12942137	Molecular_Weight	301.5
66908	Molecular_Weight	171.28
89651175	Defined_Atom_Stereo_Count	0
7055	Total_Formal_Charge	0
97497	Defined_Atom_Stereo_Count	0
10948	TPSA	52.3
10246505	Structure_Complexity	554
13932052	TPSA	54.4
98941	Isotope_Atom_Count	0
18542136	Undefined_Atom_Stereo_Count	0
70677682	Non-hydrogen_Atom_Count	30
129514	Mono_Isotopic_Weight	431.01883720
55089	Non-hydrogen_Atom_Count	21
4571	Non-hydrogen_Atom_Count	29
15480	Undefined_Bond_Stereo_Count	0
5281951	Exact_Mass	453.94217074
13814	Rotatable_Bond_Count	5
162990680	Isotope_Atom_Count	0
11304328	Molecular_Weight	406.9
119170	Defined_Atom_Stereo_Count	0
23505018	Undefined_Bond_Stereo_Count	0
85441390	TPSA	9.2
441336	XLogP3	3.9
453958	Non-hydrogen_Atom_Count	17
25142176	Undefined_Atom_Stereo_Count	0
674879	Isotope_Atom_Count	0
54726514	Undefined_Atom_Stereo_Count	0
10113430	Total_Formal_Charge	0
12339043	Total_Formal_Charge	0
534552	Non-hydrogen_Atom_Count	16
49769064	Covalent_Unit_Count	1
10201497	Undefined_Bond_Stereo_Count	0
549138	Mono_Isotopic_Weight	97.052763847
53766038	Total_Formal_Charge	0
11966	Mono_Isotopic_Weight	194.094294304
80695	Exact_Mass	481.99427965
736188	Molecular_Weight	266.3
13927379	Exact_Mass	117.078978594
1819	Defined_Atom_Stereo_Count	0
2363	Hydrogen_Bond_Donor_Count	1
65719	Total_Formal_Charge	0
6842999	Undefined_Atom_Stereo_Count	1
13367	Hydrogen_Bond_Acceptor_Count	1
83953	Defined_Bond_Stereo_Count	0
99930	Total_Formal_Charge	0
445258	XLogP3	2.3
71464628	Covalent_Unit_Count	1
82763	XLogP3-AA	2.8
6386	Defined_Atom_Stereo_Count	0
13152	Non-hydrogen_Atom_Count	10
17779	XLogP3-AA	3.5
70690020	TPSA	68.2
16057452	Defined_Bond_Stereo_Count	0
13546	Structure_Complexity	110
130029351	Covalent_Unit_Count	1
6919173	Total_Formal_Charge	0
183797	Structure_Complexity	671
140233815	Molecular_Weight	114.19
544596	Non-hydrogen_Atom_Count	7
2562	Structure_Complexity	356
20469	Covalent_Unit_Count	1
71113	Rotatable_Bond_Count	5
62529	Defined_Atom_Stereo_Count	0
6319	Undefined_Bond_Stereo_Count	0
10833	Covalent_Unit_Count	1
54686261	Molecular_Weight	386.4
9601227	Tautomer_Count	3
29758	Undefined_Bond_Stereo_Count	0
15650	Molecular_Weight	98.14
145454	Structure_Complexity	381
86298	Defined_Bond_Stereo_Count	0
41889	TPSA	36.1
8053	Tautomer_Count	1
114681	Covalent_Unit_Count	1
12081	Undefined_Atom_Stereo_Count	0
9861780	Rotatable_Bond_Count	4
2778339	Hydrogen_Bond_Donor_Count	0
2193	XLogP3	2.7
129812487	Defined_Bond_Stereo_Count	0
59281403	Molecular_Weight	417.4
11442292	Covalent_Unit_Count	1
60960	Covalent_Unit_Count	2
19437303	Undefined_Atom_Stereo_Count	2
129675901	Defined_Atom_Stereo_Count	1
68778	Exact_Mass	293.214349865
26108	Non-hydrogen_Atom_Count	17
118983360	Undefined_Bond_Stereo_Count	0
40467109	Molecular_Weight	349.4
50980	Defined_Bond_Stereo_Count	0
70715	TPSA	64.7
16754849	Defined_Atom_Stereo_Count	2
192160	Mono_Isotopic_Weight	342.21949481
8419	XLogP3	1.5
18555	Defined_Bond_Stereo_Count	0
59561	Hydrogen_Bond_Acceptor_Count	2
6994279	Molecular_Weight	106.12
18509379	Molecular_Weight	116.11
48918	Hydrogen_Bond_Acceptor_Count	3
133665799	TPSA	40.5
12998	Structure_Complexity	89.5
24556	Non-hydrogen_Atom_Count	5
94910	Undefined_Atom_Stereo_Count	0
86836	Undefined_Bond_Stereo_Count	1
14988402	Tautomer_Count	1
3033817	Undefined_Bond_Stereo_Count	0
222155	Rotatable_Bond_Count	5
91435393	Structure_Complexity	118
18861	Tautomer_Count	1
32068	Undefined_Atom_Stereo_Count	0
16723	Structure_Complexity	222
439680	Undefined_Bond_Stereo_Count	0
132777208	Structure_Complexity	382
6456	Molecular_Weight	278.8
3675	Structure_Complexity	77.3
15442732	Rotatable_Bond_Count	0
5249961	Undefined_Bond_Stereo_Count	0
266651	Non-hydrogen_Atom_Count	47
16218643	Hydrogen_Bond_Donor_Count	0
85694	Defined_Atom_Stereo_Count	0
11544171	Non-hydrogen_Atom_Count	24
11043	Defined_Atom_Stereo_Count	0
12734620	Undefined_Bond_Stereo_Count	0
692366	Undefined_Bond_Stereo_Count	0
413505	Hydrogen_Bond_Acceptor_Count	4
16211189	Non-hydrogen_Atom_Count	13
6858006	Undefined_Atom_Stereo_Count	1
66051	Defined_Atom_Stereo_Count	0
12075598	Exact_Mass	208.05177804
54272	Non-hydrogen_Atom_Count	23
443423	Exact_Mass	286.13174244
15222234	Covalent_Unit_Count	1
41634	Undefined_Bond_Stereo_Count	0
14454	Mono_Isotopic_Weight	102.104465066
53394010	TPSA	34.1
21613900	Covalent_Unit_Count	1
129801083	Defined_Atom_Stereo_Count	0
54716170	Defined_Bond_Stereo_Count	0
136889	Defined_Atom_Stereo_Count	0
54594881	Exact_Mass	101.084063974
2733515	Hydrogen_Bond_Acceptor_Count	2
82148	Mono_Isotopic_Weight	243.125928785
500	Hydrogen_Bond_Donor_Count	3
25202592	Total_Formal_Charge	0
418940	Defined_Bond_Stereo_Count	0
5281232	Covalent_Unit_Count	1
41506	Mono_Isotopic_Weight	346.13805082
10111	Non-hydrogen_Atom_Count	5
11344211	Hydrogen_Bond_Acceptor_Count	0
15620	TPSA	25.3
590908	Isotope_Atom_Count	0
123171678	Isotope_Atom_Count	0
22132384	Covalent_Unit_Count	1
72200850	TPSA	124
123592678	Structure_Complexity	65.1
10347721	Mono_Isotopic_Weight	558.20900452
2633	Molecular_Weight	561.6
268492	Non-hydrogen_Atom_Count	23
66908762	Rotatable_Bond_Count	0
13454	TPSA	120
10407275	Total_Formal_Charge	0
15633846	Non-hydrogen_Atom_Count	8
6652	Defined_Bond_Stereo_Count	0
23725095	Tautomer_Count	2
70754	Hydrogen_Bond_Acceptor_Count	1
58270050	Undefined_Bond_Stereo_Count	0
1597	Undefined_Atom_Stereo_Count	7
74944	Undefined_Atom_Stereo_Count	0
67163	Isotope_Atom_Count	0
73829111	Structure_Complexity	82.2
14967651	Mono_Isotopic_Weight	108.057514874
24115	Isotope_Atom_Count	0
12217323	Molecular_Weight	168.18
54360	Hydrogen_Bond_Acceptor_Count	3
34303	Isotope_Atom_Count	0
282001	Defined_Atom_Stereo_Count	0
447362	Covalent_Unit_Count	1
150257	Exact_Mass	267.06776246
22138513	Rotatable_Bond_Count	2
32131	Hydrogen_Bond_Donor_Count	3
1712088	Defined_Bond_Stereo_Count	0
6433095	Defined_Bond_Stereo_Count	0
13418379	Exact_Mass	112.100048391
54678490	Isotope_Atom_Count	0
5282340	Defined_Bond_Stereo_Count	0
3011721	Rotatable_Bond_Count	11
15129466	Hydrogen_Bond_Donor_Count	1
91315907	Mono_Isotopic_Weight	97.089149355
12394845	Undefined_Atom_Stereo_Count	1
101938021	Defined_Bond_Stereo_Count	0
3564	Non-hydrogen_Atom_Count	16
27236	Rotatable_Bond_Count	9
57390700	Rotatable_Bond_Count	9
720471	Hydrogen_Bond_Acceptor_Count	2
5484131	Mono_Isotopic_Weight	546.09913941
443872	Total_Formal_Charge	0
19549	Molecular_Weight	199.63
679	Structure_Complexity	29
130125724	Defined_Bond_Stereo_Count	0
20326	Defined_Atom_Stereo_Count	0
13854974	Total_Formal_Charge	0
175956	Exact_Mass	216.06338810
14508	Undefined_Bond_Stereo_Count	0
6438394	Isotope_Atom_Count	0
456161	Rotatable_Bond_Count	9
87474167	Structure_Complexity	79.8
67210	Exact_Mass	298.02258592
65792	Covalent_Unit_Count	1
71448984	Undefined_Bond_Stereo_Count	0
727	Defined_Atom_Stereo_Count	0
29420	Structure_Complexity	37.1
17466	Non-hydrogen_Atom_Count	38
12140079	Structure_Complexity	151
12654270	Hydrogen_Bond_Donor_Count	0
181255	Rotatable_Bond_Count	1
10045	Exact_Mass	102.104465066
71577	Total_Formal_Charge	0
65667	Undefined_Bond_Stereo_Count	0
53804001	Exact_Mass	102.068079557
22833341	Rotatable_Bond_Count	17
139975	Total_Formal_Charge	0
23950	Isotope_Atom_Count	0
91526	Rotatable_Bond_Count	0
238053	Total_Formal_Charge	0
123462540	Isotope_Atom_Count	0
24180695	Mono_Isotopic_Weight	209.12632271
52948174	Structure_Complexity	709
44539266	TPSA	146
57267838	Hydrogen_Bond_Acceptor_Count	2
53846421	Non-hydrogen_Atom_Count	30
11200	Structure_Complexity	13.5
7344	Hydrogen_Bond_Acceptor_Count	3
9570438	Undefined_Bond_Stereo_Count	0
158076	Exact_Mass	293.1294900
28951015	Undefined_Atom_Stereo_Count	0
224244	Exact_Mass	112.088815002
118210244	Hydrogen_Bond_Donor_Count	0
15461361	Covalent_Unit_Count	1
36879	Covalent_Unit_Count	1
4551	Rotatable_Bond_Count	0
10654192	Molecular_Weight	112.13
15053	XLogP3-AA	0.8
143047391	Mono_Isotopic_Weight	87.068413911
910	Molecular_Weight	236.22
413535	Total_Formal_Charge	0
26033	Tautomer_Count	1
3048339	Tautomer_Count	3
6419108	Molecular_Weight	111.10
55614	Molecular_Weight	410.5
81803874	Defined_Atom_Stereo_Count	0
542892	Mono_Isotopic_Weight	112.052429494
16664362	Hydrogen_Bond_Acceptor_Count	4
534293	Hydrogen_Bond_Acceptor_Count	1
12256	TPSA	9.2
15071433	Defined_Atom_Stereo_Count	4
53898601	Hydrogen_Bond_Acceptor_Count	2
16132418	Defined_Atom_Stereo_Count	52
3663247	Defined_Bond_Stereo_Count	0
13401682	Non-hydrogen_Atom_Count	8
131535	Total_Formal_Charge	0
489518	Defined_Atom_Stereo_Count	3
5280980	TPSA	87.1
72950888	Hydrogen_Bond_Donor_Count	1
68321915	Non-hydrogen_Atom_Count	25
31645	XLogP3	1.7
19704592	Structure_Complexity	300
20826383	Undefined_Bond_Stereo_Count	0
16436	Covalent_Unit_Count	1
122214397	Undefined_Atom_Stereo_Count	0
447715	Defined_Atom_Stereo_Count	11
4848	TPSA	68.8
6257	Structure_Complexity	246
24458	Rotatable_Bond_Count	0
57760	Molecular_Weight	423.4
67382752	Exact_Mass	463.40254455
219099	Non-hydrogen_Atom_Count	29
487101	Hydrogen_Bond_Donor_Count	3
117265544	Defined_Atom_Stereo_Count	0
131664126	Molecular_Weight	525.6
91427979	Covalent_Unit_Count	1
3480590	Exact_Mass	252.06338810
118937394	Exact_Mass	362.13913
50888	Hydrogen_Bond_Donor_Count	2
66992840	Undefined_Atom_Stereo_Count	0
13196775	Undefined_Bond_Stereo_Count	0
419490	Molecular_Weight	125.13
54682458	Structure_Complexity	944
9552079	XLogP3	0.1
57545	Rotatable_Bond_Count	7
91742	Mono_Isotopic_Weight	267.14705815
15588	Covalent_Unit_Count	1
6918639	Molecular_Weight	542.33
25563891	Covalent_Unit_Count	1
292249	Rotatable_Bond_Count	0
129629095	Total_Formal_Charge	0
25150	Isotope_Atom_Count	0
58079819	Rotatable_Bond_Count	1
21227	XLogP3-AA	1.2
4714	Defined_Bond_Stereo_Count	0
54111	Defined_Bond_Stereo_Count	0
57825229	Defined_Bond_Stereo_Count	0
7578	Tautomer_Count	2
517414	Exact_Mass	281.0100657
520913	Isotope_Atom_Count	0
102501728	Defined_Atom_Stereo_Count	4
135492483	Structure_Complexity	511
221071	Isotope_Atom_Count	0
53036	Structure_Complexity	251
54317152	TPSA	45.4
4408229	Isotope_Atom_Count	0
621174	Covalent_Unit_Count	1
91489	Hydrogen_Bond_Acceptor_Count	3
92024228	Non-hydrogen_Atom_Count	18
101116130	Mono_Isotopic_Weight	108.032362755
256347	Non-hydrogen_Atom_Count	7
143440	Structure_Complexity	59.5
27361	Defined_Atom_Stereo_Count	0
1143	Structure_Complexity	348
71541188	Defined_Bond_Stereo_Count	0
35740	Structure_Complexity	868
68128	Defined_Bond_Stereo_Count	0
164563	Non-hydrogen_Atom_Count	17
6437850	Covalent_Unit_Count	1
2248	Molecular_Weight	405.5
6419984	Defined_Atom_Stereo_Count	2
11954316	Defined_Atom_Stereo_Count	0
572928	Total_Formal_Charge	0
33377	Hydrogen_Bond_Acceptor_Count	2
6918454	Total_Formal_Charge	0
55855	Total_Formal_Charge	0
562634	Undefined_Bond_Stereo_Count	0
69370	Isotope_Atom_Count	0
36976	Covalent_Unit_Count	1
135019428	Hydrogen_Bond_Acceptor_Count	11
58323974	XLogP3-AA	3.1
65684	Exact_Mass	202.146998583
154557922	Structure_Complexity	90.1
4989215	Covalent_Unit_Count	1
39953	Rotatable_Bond_Count	3
5353970	Non-hydrogen_Atom_Count	37
10660	Mono_Isotopic_Weight	469.1880675
54345713	Rotatable_Bond_Count	2
449688	Undefined_Atom_Stereo_Count	0
71449750	Structure_Complexity	726
11525	Hydrogen_Bond_Acceptor_Count	1
60196433	Undefined_Bond_Stereo_Count	0
4255	Undefined_Bond_Stereo_Count	0
3025721	Hydrogen_Bond_Donor_Count	1
133134	Mono_Isotopic_Weight	554.28528295
2733531	Structure_Complexity	681
2794833	Covalent_Unit_Count	1
2673	XLogP3	0.4
301567	Covalent_Unit_Count	1
9804991	Exact_Mass	475.1873988
85573191	Undefined_Bond_Stereo_Count	0
1434	Mono_Isotopic_Weight	324.26644501
202519	Exact_Mass	346.21440943
7301	Defined_Atom_Stereo_Count	0
62155	Undefined_Bond_Stereo_Count	2
968472	Undefined_Atom_Stereo_Count	0
7269	Structure_Complexity	80.6
5280805	Defined_Bond_Stereo_Count	0
20394920	Exact_Mass	115.063328530
12313473	Rotatable_Bond_Count	0
22475863	Defined_Atom_Stereo_Count	0
123237074	TPSA	20.2
5129076	Mono_Isotopic_Weight	210.0515378
7530950	Isotope_Atom_Count	0
60196376	Hydrogen_Bond_Donor_Count	1
6432236	Isotope_Atom_Count	0
12285856	Undefined_Atom_Stereo_Count	1
14022511	Undefined_Atom_Stereo_Count	0
12271346	TPSA	12.5
9250	Covalent_Unit_Count	1
668508	Covalent_Unit_Count	1
232592	Undefined_Atom_Stereo_Count	1
77084	Hydrogen_Bond_Donor_Count	2
123413	Structure_Complexity	66.8
5352837	Exact_Mass	128.120115130
44226825	Mono_Isotopic_Weight	306.16588839
3257	Hydrogen_Bond_Acceptor_Count	13
95170	Defined_Bond_Stereo_Count	0
192711	Mono_Isotopic_Weight	351.0630676
22178808	Isotope_Atom_Count	0
121595926	XLogP3-AA	4.3
11446305	Structure_Complexity	113
4136	Mono_Isotopic_Weight	161.129002789
104954	Exact_Mass	240.10111102
11116293	XLogP3-AA	0.2
555949	Total_Formal_Charge	0
5355856	Molecular_Weight	224.34
12290023	Exact_Mass	116.083729621
77160509	Hydrogen_Bond_Donor_Count	1
344793	Isotope_Atom_Count	0
18722856	Non-hydrogen_Atom_Count	7
3080653	Undefined_Bond_Stereo_Count	0
60149	Hydrogen_Bond_Acceptor_Count	3
627254	Rotatable_Bond_Count	8
54680692	Defined_Bond_Stereo_Count	0
441254	Isotope_Atom_Count	0
210320	Structure_Complexity	448
3003191	Total_Formal_Charge	0
74067	Rotatable_Bond_Count	1
68535	Non-hydrogen_Atom_Count	6
60860	Covalent_Unit_Count	1
8748	Hydrogen_Bond_Acceptor_Count	1
24833843	Undefined_Bond_Stereo_Count	0
12354987	Non-hydrogen_Atom_Count	12
21956312	Isotope_Atom_Count	0
23674	Undefined_Atom_Stereo_Count	0
124918602	Hydrogen_Bond_Acceptor_Count	6
11254352	TPSA	138
519543	Hydrogen_Bond_Donor_Count	0
68949	Isotope_Atom_Count	0
6918412	Covalent_Unit_Count	1
73480	Hydrogen_Bond_Donor_Count	2
637552	Total_Formal_Charge	0
19757680	TPSA	94.8
524674	Undefined_Atom_Stereo_Count	2
78949	Hydrogen_Bond_Donor_Count	1
70480850	Non-hydrogen_Atom_Count	8
14502	Covalent_Unit_Count	1
3476986	Hydrogen_Bond_Donor_Count	1
12746998	Covalent_Unit_Count	1
11829386	Hydrogen_Bond_Donor_Count	0
12851498	Exact_Mass	400.18858861
26081	Covalent_Unit_Count	1
13601742	Hydrogen_Bond_Acceptor_Count	2
5748352	Non-hydrogen_Atom_Count	65
67285	Hydrogen_Bond_Acceptor_Count	1
5288033	Defined_Bond_Stereo_Count	0
6035169	Rotatable_Bond_Count	2
12040	Hydrogen_Bond_Donor_Count	1
9839519	Undefined_Bond_Stereo_Count	0
8923919	Defined_Bond_Stereo_Count	0
57397462	Exact_Mass	388.0648413
73707356	Defined_Atom_Stereo_Count	0
66823423	Undefined_Bond_Stereo_Count	0
3014059	Covalent_Unit_Count	2
9929901	Molecular_Weight	382.6
15559658	Undefined_Atom_Stereo_Count	0
2812	Exact_Mass	344.1080262
2049	Undefined_Atom_Stereo_Count	0
73889	Mono_Isotopic_Weight	285.06122053
440046	Mono_Isotopic_Weight	113.047678466
18493	Exact_Mass	421.12526
329061	Rotatable_Bond_Count	4
15877745	Exact_Mass	112.088815002
22395644	Defined_Atom_Stereo_Count	0
91018	Defined_Atom_Stereo_Count	0
7204	Undefined_Atom_Stereo_Count	0
61240	Total_Formal_Charge	0
139062654	Rotatable_Bond_Count	4
11423563	Isotope_Atom_Count	0
68017365	Isotope_Atom_Count	0
7411	Undefined_Atom_Stereo_Count	0
575278	Molecular_Weight	115.17
101454647	Non-hydrogen_Atom_Count	26
25074887	Mono_Isotopic_Weight	1429.6698184
859122	Hydrogen_Bond_Donor_Count	0
89077	Structure_Complexity	68.9
2724235	Hydrogen_Bond_Donor_Count	3
285897	Total_Formal_Charge	0
139063576	Hydrogen_Bond_Acceptor_Count	4
127036660	Covalent_Unit_Count	1
12856218	TPSA	135
44571150	Non-hydrogen_Atom_Count	31
75211	Rotatable_Bond_Count	10
57939635	Defined_Bond_Stereo_Count	0
5610	Hydrogen_Bond_Donor_Count	2
11567707	Total_Formal_Charge	0
575609	Total_Formal_Charge	0
19930616	Isotope_Atom_Count	0
46199646	Defined_Bond_Stereo_Count	0
20188118	Hydrogen_Bond_Acceptor_Count	2
10975414	Total_Formal_Charge	0
3466040	Exact_Mass	268.1798590
520901	Undefined_Atom_Stereo_Count	0
521714	Molecular_Weight	112.17
9953590	Hydrogen_Bond_Donor_Count	0
57346808	Hydrogen_Bond_Donor_Count	11
12260467	Non-hydrogen_Atom_Count	8
46226173	Undefined_Bond_Stereo_Count	0
81217	Defined_Atom_Stereo_Count	5
32249	Defined_Atom_Stereo_Count	0
91196148	Total_Formal_Charge	0
115208	Tautomer_Count	2
85976378	Hydrogen_Bond_Donor_Count	0
76228	Defined_Bond_Stereo_Count	0
4354	Exact_Mass	260.94017
12786810	Total_Formal_Charge	0
517	Defined_Bond_Stereo_Count	0
55223	XLogP3-AA	2.6
25324	XLogP3-AA	3.5
74601	Mono_Isotopic_Weight	209.177964357
19003653	TPSA	12
9971	Covalent_Unit_Count	1
33992	Defined_Atom_Stereo_Count	0
4087	Molecular_Weight	167.20
212	Undefined_Atom_Stereo_Count	4
631779	Exact_Mass	352.101702159
14647	Undefined_Bond_Stereo_Count	0
4934	TPSA	35.5
9810929	Defined_Atom_Stereo_Count	9
12275548	Non-hydrogen_Atom_Count	27
44485	Isotope_Atom_Count	0
446915	Covalent_Unit_Count	1
77875900	TPSA	55.1
947	TPSA	47.6
69264	Defined_Bond_Stereo_Count	0
63996	Covalent_Unit_Count	1
23091966	Defined_Atom_Stereo_Count	0
60810	Undefined_Atom_Stereo_Count	1
398652	Hydrogen_Bond_Acceptor_Count	5
7754	Exact_Mass	114.104465066
18851	Defined_Atom_Stereo_Count	0
8019	Total_Formal_Charge	0
670	Undefined_Bond_Stereo_Count	0
606	Isotope_Atom_Count	0
8491	Tautomer_Count	1
43234	XLogP3	3.5
10964421	Hydrogen_Bond_Donor_Count	1
6973640	TPSA	20.2
158299	Exact_Mass	766.37705808
4623	Structure_Complexity	481
6431226	Defined_Atom_Stereo_Count	2
138394156	Hydrogen_Bond_Acceptor_Count	8
3354	XLogP3-AA	4.3
23663953	Undefined_Atom_Stereo_Count	1
53850714	Total_Formal_Charge	0
39860	Exact_Mass	372.26644501
637520	Hydrogen_Bond_Acceptor_Count	2
69498345	Defined_Atom_Stereo_Count	0
11722286	Isotope_Atom_Count	0
20848918	Molecular_Weight	385.03
18062	Defined_Atom_Stereo_Count	0
3872	Undefined_Bond_Stereo_Count	0
94834	Tautomer_Count	1
76216	Non-hydrogen_Atom_Count	21
11789162	Structure_Complexity	116
9963430	Covalent_Unit_Count	1
7047	Undefined_Bond_Stereo_Count	0
7957	Hydrogen_Bond_Acceptor_Count	1
135985126	Structure_Complexity	737
135475930	Total_Formal_Charge	0
96386	Exact_Mass	214.229665576
2250	Defined_Bond_Stereo_Count	0
7380	Hydrogen_Bond_Acceptor_Count	1
135475930	Structure_Complexity	728
3816071	Defined_Bond_Stereo_Count	0
9911138	Hydrogen_Bond_Donor_Count	2
32940	Tautomer_Count	1
16065945	Undefined_Atom_Stereo_Count	2
983	Mono_Isotopic_Weight	257.90955735
136355	Structure_Complexity	58.3
14066	Molecular_Weight	102.13
129628181	Defined_Bond_Stereo_Count	0
8340	Mono_Isotopic_Weight	353.12632271
10176730	Mono_Isotopic_Weight	213.0071819
27290	Undefined_Bond_Stereo_Count	0
219083	Defined_Atom_Stereo_Count	0
2564	Isotope_Atom_Count	0
51040	TPSA	43.4
11443	Structure_Complexity	265
123954185	Covalent_Unit_Count	1
60196431	Isotope_Atom_Count	0
26757	Isotope_Atom_Count	0
10171019	Mono_Isotopic_Weight	1330.5888648
41088	Structure_Complexity	75.7
657275	Exact_Mass	271.1451400
439791	Undefined_Atom_Stereo_Count	0
68492470	TPSA	80.7
82197	Tautomer_Count	2
11934	Tautomer_Count	1
66679	Defined_Atom_Stereo_Count	0
10612	Undefined_Atom_Stereo_Count	0
15942852	Undefined_Atom_Stereo_Count	2
22123474	Isotope_Atom_Count	0
15567019	Molecular_Weight	114.14
137704528	Isotope_Atom_Count	0
9953	Hydrogen_Bond_Donor_Count	2
520478	Isotope_Atom_Count	0
44421047	Molecular_Weight	924.1
447213	Covalent_Unit_Count	1
21122483	Total_Formal_Charge	0
10221890	Hydrogen_Bond_Acceptor_Count	5
10024782	Structure_Complexity	725
76292	Undefined_Atom_Stereo_Count	0
12860067	Molecular_Weight	107.15
6950306	Non-hydrogen_Atom_Count	9
6257	Defined_Atom_Stereo_Count	0
24523	Defined_Bond_Stereo_Count	0
9234	Defined_Bond_Stereo_Count	0
54519	Structure_Complexity	317
118553	Exact_Mass	178.074227566
135421876	Hydrogen_Bond_Donor_Count	2
65937	Hydrogen_Bond_Donor_Count	2
132281459	Undefined_Bond_Stereo_Count	0
85495	Undefined_Bond_Stereo_Count	0
10436	Non-hydrogen_Atom_Count	9
441382	Isotope_Atom_Count	0
6604910	Hydrogen_Bond_Acceptor_Count	3
141168949	Hydrogen_Bond_Donor_Count	0
72199540	Structure_Complexity	1040
137895	Undefined_Atom_Stereo_Count	0
22731487	Structure_Complexity	411
7336	Hydrogen_Bond_Donor_Count	0
23263	Mono_Isotopic_Weight	234.090546336
447835	XLogP3	4.3
5237030	TPSA	80.3
3242895	XLogP3-AA	2.6
9914412	Hydrogen_Bond_Acceptor_Count	8
2723704	Tautomer_Count	3
45479278	Rotatable_Bond_Count	33
440728	Molecular_Weight	147.13
51464	Undefined_Bond_Stereo_Count	0
151166	Tautomer_Count	37
23669	Structure_Complexity	260
142959	Structure_Complexity	68.4
143686076	Structure_Complexity	90.2
413537	Hydrogen_Bond_Donor_Count	0
6992028	Molecular_Weight	416.5
70943	Hydrogen_Bond_Donor_Count	0
15086	Undefined_Bond_Stereo_Count	0
51381	Exact_Mass	152.083729621
12304613	Isotope_Atom_Count	0
198747	Covalent_Unit_Count	1
139637653	Exact_Mass	101.047678466
62553	Isotope_Atom_Count	0
72106	Undefined_Atom_Stereo_Count	0
12231381	Undefined_Bond_Stereo_Count	0
69534	Defined_Bond_Stereo_Count	0
33044	Covalent_Unit_Count	1
24131	Mono_Isotopic_Weight	304.03315060
57547	Tautomer_Count	1
3047830	Rotatable_Bond_Count	2
3413420	Covalent_Unit_Count	1
11319223	Undefined_Atom_Stereo_Count	0
36354	Hydrogen_Bond_Acceptor_Count	1
11365506	Non-hydrogen_Atom_Count	38
447407	Defined_Bond_Stereo_Count	0
78398	Defined_Atom_Stereo_Count	0
67683363	XLogP3-AA	6.2
779	Covalent_Unit_Count	1
2763	Exact_Mass	288.0319997
5882188	Hydrogen_Bond_Donor_Count	2
156907991	Molecular_Weight	1330.4
91825644	Rotatable_Bond_Count	2
28506	Rotatable_Bond_Count	2
63096	Isotope_Atom_Count	0
66587385	Total_Formal_Charge	0
53632493	Undefined_Atom_Stereo_Count	2
19002203	Mono_Isotopic_Weight	113.058911855
13081	Structure_Complexity	263
199677	Non-hydrogen_Atom_Count	8
16097	Exact_Mass	181.03750770
71541177	Structure_Complexity	522
17734	Covalent_Unit_Count	1
7752	Rotatable_Bond_Count	2
31497	Mono_Isotopic_Weight	235.12084340
78382	Non-hydrogen_Atom_Count	12
19927	XLogP3-AA	1
2002	Hydrogen_Bond_Acceptor_Count	3
15335183	Defined_Bond_Stereo_Count	0
30773	Hydrogen_Bond_Acceptor_Count	6
600269	Hydrogen_Bond_Acceptor_Count	2
40473166	Isotope_Atom_Count	0
10953454	Hydrogen_Bond_Donor_Count	0
7172302	Undefined_Bond_Stereo_Count	0
2948	Undefined_Atom_Stereo_Count	0
13113546	Molecular_Weight	99.13
101239377	Hydrogen_Bond_Acceptor_Count	10
129864969	Structure_Complexity	620
13244490	Isotope_Atom_Count	0
55285315	Defined_Atom_Stereo_Count	0
23137	Non-hydrogen_Atom_Count	13
55223	Defined_Atom_Stereo_Count	0
98882	Undefined_Atom_Stereo_Count	0
3014096	XLogP3	2.8
73277	Undefined_Atom_Stereo_Count	0
81445	Defined_Bond_Stereo_Count	0
41743	Non-hydrogen_Atom_Count	18
65202	Molecular_Weight	543.0
5821911	Hydrogen_Bond_Donor_Count	0
25263480	Defined_Atom_Stereo_Count	1
9847241	Undefined_Bond_Stereo_Count	0
14172370	Defined_Atom_Stereo_Count	0
20770532	Covalent_Unit_Count	1
9792	XLogP3	2.2
123979022	Isotope_Atom_Count	0
271488	Hydrogen_Bond_Acceptor_Count	1
404289	Hydrogen_Bond_Acceptor_Count	4
12270637	Hydrogen_Bond_Acceptor_Count	2
4936	Structure_Complexity	454
24437	Structure_Complexity	18.8
449555	TPSA	428
19768091	Isotope_Atom_Count	0
136197528	Isotope_Atom_Count	0
564864	Exact_Mass	236.9944134
55288089	Structure_Complexity	118
22834549	Hydrogen_Bond_Donor_Count	49
5459811	XLogP3-AA	10.3
138074	Rotatable_Bond_Count	2
16212247	Total_Formal_Charge	0
75444	Molecular_Weight	514.1
71160	Hydrogen_Bond_Acceptor_Count	4
13639659	Defined_Bond_Stereo_Count	0
12698	Undefined_Bond_Stereo_Count	0
2033	Hydrogen_Bond_Donor_Count	1
6973628	Rotatable_Bond_Count	0
60618	Structure_Complexity	504
13867124	XLogP3	2.1
131704232	Total_Formal_Charge	0
704528	Defined_Atom_Stereo_Count	1
5288998	Mono_Isotopic_Weight	237.06372245
5353613	Total_Formal_Charge	0
47576	Total_Formal_Charge	0
11517146	XLogP3-AA	4.3
10221470	Total_Formal_Charge	0
153675783	Hydrogen_Bond_Acceptor_Count	1
453214	Molecular_Weight	456.4
281459	Hydrogen_Bond_Acceptor_Count	2
10391	Non-hydrogen_Atom_Count	13
66615619	Hydrogen_Bond_Acceptor_Count	6
10932	TPSA	63.3
9802673	Tautomer_Count	1
5351560	XLogP3-AA	2.3
89735852	Defined_Atom_Stereo_Count	6
90558	Exact_Mass	144.04225873
125286696	Covalent_Unit_Count	1
14116454	Molecular_Weight	98.10
153100734	Covalent_Unit_Count	1
639288	Defined_Bond_Stereo_Count	0
129229305	Undefined_Bond_Stereo_Count	0
16080117	Covalent_Unit_Count	1
46203882	Defined_Atom_Stereo_Count	0
27197	Isotope_Atom_Count	0
135421124	Undefined_Bond_Stereo_Count	0
23620992	TPSA	417
137426	Hydrogen_Bond_Acceptor_Count	1
446873	Rotatable_Bond_Count	3
14170926	Hydrogen_Bond_Acceptor_Count	2
16212317	Mono_Isotopic_Weight	405.1343006
5455	Non-hydrogen_Atom_Count	12
24350	Molecular_Weight	190.45
4644996	Defined_Atom_Stereo_Count	0
23087721	XLogP3-AA	0.5
25062766	Rotatable_Bond_Count	6
65127	Isotope_Atom_Count	0
14459015	TPSA	23.5
3788	Defined_Bond_Stereo_Count	0
72978296	Hydrogen_Bond_Acceptor_Count	2
87184	Defined_Atom_Stereo_Count	0
56991328	Exact_Mass	114.068079557
90735654	TPSA	0
90408860	Hydrogen_Bond_Donor_Count	0
135451156	Mono_Isotopic_Weight	245.09127461
1013432	Rotatable_Bond_Count	4
22280308	Isotope_Atom_Count	0
54712709	Defined_Bond_Stereo_Count	0
129858308	XLogP3-AA	0.9
2760056	Isotope_Atom_Count	0
11869222	Hydrogen_Bond_Donor_Count	0
156618186	Undefined_Bond_Stereo_Count	0
56659844	Total_Formal_Charge	0
167807	Undefined_Atom_Stereo_Count	4
24899382	Defined_Atom_Stereo_Count	3
97919	TPSA	37.3
62078	Total_Formal_Charge	0
68790	Defined_Atom_Stereo_Count	0
1425	Non-hydrogen_Atom_Count	21
3032771	Hydrogen_Bond_Donor_Count	3
610369	Total_Formal_Charge	0
123239	TPSA	44.4
61691030	Total_Formal_Charge	0
42301	Mono_Isotopic_Weight	243.162314293
9942131	Exact_Mass	112.052429494
3730	Non-hydrogen_Atom_Count	34
5460765	TPSA	215
135438601	Exact_Mass	145.9995384
93702	Hydrogen_Bond_Acceptor_Count	16
449284	Covalent_Unit_Count	1
7132	Structure_Complexity	263
123228414	Isotope_Atom_Count	0
18961909	Structure_Complexity	120
94647	Non-hydrogen_Atom_Count	12
603	Molecular_Weight	260.14
6669	Tautomer_Count	2
10064061	Hydrogen_Bond_Donor_Count	1
888374	Hydrogen_Bond_Donor_Count	0
534094	Covalent_Unit_Count	1
10273	Isotope_Atom_Count	0
66038870	Structure_Complexity	102
7834	Undefined_Bond_Stereo_Count	0
424361	Defined_Atom_Stereo_Count	0
16211286	Rotatable_Bond_Count	5
31246	Defined_Atom_Stereo_Count	0
22278010	Molecular_Weight	94.11
58180	Hydrogen_Bond_Donor_Count	1
4962721	Rotatable_Bond_Count	1
67435079	Structure_Complexity	113
2751	Total_Formal_Charge	0
6365145	Isotope_Atom_Count	0
8580	Total_Formal_Charge	0
44338989	Defined_Atom_Stereo_Count	0
88332	Undefined_Bond_Stereo_Count	0
118153068	Defined_Atom_Stereo_Count	0
24480	Covalent_Unit_Count	1
8739	Mono_Isotopic_Weight	201.00957888
23730921	Non-hydrogen_Atom_Count	15
38980	Exact_Mass	298.1236763
54240720	Mono_Isotopic_Weight	114.104465066
3745420	Covalent_Unit_Count	1
24737670	Structure_Complexity	529
67906	Non-hydrogen_Atom_Count	9
11970143	Mono_Isotopic_Weight	4897.1470041
23079483	XLogP3-AA	1.9
3468	XLogP3-AA	4.9
53735	Isotope_Atom_Count	0
88959085	Mono_Isotopic_Weight	114.031694049
3118	Undefined_Atom_Stereo_Count	0
44246529	Total_Formal_Charge	0
19460	Defined_Atom_Stereo_Count	0
13247016	Isotope_Atom_Count	0
32281	Hydrogen_Bond_Donor_Count	4
53952576	Rotatable_Bond_Count	2
24946103	XLogP3-AA	4.4
232651	Hydrogen_Bond_Donor_Count	1
688297	Mono_Isotopic_Weight	215.95344
42519	Total_Formal_Charge	0
20614524	Isotope_Atom_Count	0
89800161	Isotope_Atom_Count	0
58	Isotope_Atom_Count	0
59048761	Molecular_Weight	342.30
19777659	Isotope_Atom_Count	0
66792062	Defined_Atom_Stereo_Count	0
90725416	Mono_Isotopic_Weight	904.44565070
11122050	Defined_Bond_Stereo_Count	0
11136	Exact_Mass	393.935436
9433	Defined_Bond_Stereo_Count	0
145712321	Hydrogen_Bond_Donor_Count	1
13030510	Mono_Isotopic_Weight	106.078250319
20003	Defined_Atom_Stereo_Count	0
127382	Undefined_Bond_Stereo_Count	0
21578704	Exact_Mass	330.15795719
13691769	XLogP3-AA	1.1
64350	Hydrogen_Bond_Donor_Count	3
71311215	XLogP3-AA	0.4
74030550	Hydrogen_Bond_Acceptor_Count	56
11960529	Hydrogen_Bond_Acceptor_Count	3
69429	XLogP3-AA	7.8
30973	TPSA	61.5
402827	Defined_Bond_Stereo_Count	0
115205	Covalent_Unit_Count	1
44401271	Non-hydrogen_Atom_Count	28
42008	Total_Formal_Charge	0
22805729	Defined_Atom_Stereo_Count	1
10197702	Defined_Atom_Stereo_Count	0
1465	Total_Formal_Charge	0
12308	TPSA	20.2
786	Non-hydrogen_Atom_Count	15
21037713	Molecular_Weight	397.4
53990905	Isotope_Atom_Count	0
124956	Undefined_Atom_Stereo_Count	2
71315012	Hydrogen_Bond_Donor_Count	5
58335323	Defined_Bond_Stereo_Count	0
21021478	Hydrogen_Bond_Donor_Count	1
401	Rotatable_Bond_Count	0
12643154	TPSA	21.9
91525	Mono_Isotopic_Weight	576.10008777
49852403	TPSA	901
10560335	Defined_Atom_Stereo_Count	0
12463393	Defined_Bond_Stereo_Count	0
34755	Exact_Mass	398.13723900
16213460	Total_Formal_Charge	0
53316418	Isotope_Atom_Count	0
8784	Isotope_Atom_Count	0
37844	Hydrogen_Bond_Donor_Count	3
12260	XLogP3-AA	3.1
82611	Rotatable_Bond_Count	3
222171	Total_Formal_Charge	0
107760	Hydrogen_Bond_Donor_Count	0
44125988	Rotatable_Bond_Count	5
78175	Exact_Mass	128.047344113
9746	XLogP3	0.8
25875	Non-hydrogen_Atom_Count	22
832	Total_Formal_Charge	0
5242420	Undefined_Bond_Stereo_Count	0
13356643	Defined_Bond_Stereo_Count	0
21585117	Undefined_Atom_Stereo_Count	0
60657	Covalent_Unit_Count	1
9911778	Total_Formal_Charge	0
23265	Rotatable_Bond_Count	2
528405	Undefined_Atom_Stereo_Count	0
9577984	Isotope_Atom_Count	0
28131	Structure_Complexity	206
92041	Defined_Atom_Stereo_Count	0
87468080	Structure_Complexity	124
5483631	Undefined_Atom_Stereo_Count	0
57277298	Defined_Atom_Stereo_Count	0
72276	XLogP3	0.4
6950353	Undefined_Bond_Stereo_Count	0
9945927	Exact_Mass	341.11756954
156582420	TPSA	87
21041051	Undefined_Atom_Stereo_Count	0
19601937	Exact_Mass	536.43583280
69275	Isotope_Atom_Count	0
46880369	Undefined_Atom_Stereo_Count	0
11379626	Defined_Atom_Stereo_Count	0
13250	Molecular_Weight	198.17
2735228	Undefined_Bond_Stereo_Count	0
11610599	Defined_Bond_Stereo_Count	0
5283345	Isotope_Atom_Count	0
18487	Undefined_Atom_Stereo_Count	0
41955	Undefined_Atom_Stereo_Count	0
12984	Hydrogen_Bond_Acceptor_Count	0
21470197	Exact_Mass	98.02286070
12967	TPSA	75.8
89053237	Molecular_Weight	107.11
965784	Exact_Mass	332.9959485
16157	Total_Formal_Charge	0
14906717	Molecular_Weight	116.16
91996	Total_Formal_Charge	0
5205	Covalent_Unit_Count	1
16075	XLogP3	1.8
21325324	Hydrogen_Bond_Acceptor_Count	2
18819	Exact_Mass	246.12873571
123892691	Covalent_Unit_Count	1
7795	Structure_Complexity	108
92406	Non-hydrogen_Atom_Count	20
8509	Hydrogen_Bond_Acceptor_Count	2
10953450	Defined_Bond_Stereo_Count	0
13813927	Hydrogen_Bond_Acceptor_Count	2
19734140	Defined_Bond_Stereo_Count	0
59646259	Hydrogen_Bond_Donor_Count	8
12017	Undefined_Bond_Stereo_Count	0
565424	Isotope_Atom_Count	0
146367450	Mono_Isotopic_Weight	284.16237386
3476986	Molecular_Weight	292.3
25094630	Hydrogen_Bond_Acceptor_Count	9
76080	Defined_Atom_Stereo_Count	0
448537	Structure_Complexity	286
95978	Non-hydrogen_Atom_Count	12
3085168	Exact_Mass	562.21444394
9846339	Defined_Bond_Stereo_Count	0
575802	Non-hydrogen_Atom_Count	14
16065391	Total_Formal_Charge	0
9984374	Total_Formal_Charge	0
22753628	Undefined_Atom_Stereo_Count	0
15604015	Defined_Atom_Stereo_Count	0
14120372	Defined_Atom_Stereo_Count	0
141583717	TPSA	49.7
123512955	Hydrogen_Bond_Donor_Count	1
71750954	Defined_Bond_Stereo_Count	5
57394212	Non-hydrogen_Atom_Count	30
10142377	Non-hydrogen_Atom_Count	36
16957	Undefined_Bond_Stereo_Count	0
16316	Rotatable_Bond_Count	8
7131	Isotope_Atom_Count	0
718862	Undefined_Atom_Stereo_Count	0
176448	XLogP3-AA	0.6
10772959	Hydrogen_Bond_Acceptor_Count	3
31143	Mono_Isotopic_Weight	238.13174244
104865206	Rotatable_Bond_Count	2
444030	Undefined_Atom_Stereo_Count	0
5355732	Exact_Mass	81.057849228
24963	Covalent_Unit_Count	3
53322429	TPSA	107
2795425	Hydrogen_Bond_Donor_Count	0
57465453	Defined_Atom_Stereo_Count	0
12323351	Total_Formal_Charge	0
18622352	Structure_Complexity	76.8
7015	Molecular_Weight	169.22
23138077	Hydrogen_Bond_Acceptor_Count	1
126514322	Hydrogen_Bond_Donor_Count	1
22833389	Undefined_Bond_Stereo_Count	0
18998026	Defined_Bond_Stereo_Count	0
73049652	Molecular_Weight	957.9
12613538	Total_Formal_Charge	0
20055283	TPSA	233
11105310	Isotope_Atom_Count	0
138106991	Total_Formal_Charge	0
85856	XLogP3-AA	9.6
13860601	Mono_Isotopic_Weight	114.104465066
216269	Total_Formal_Charge	0
21271257	Undefined_Bond_Stereo_Count	0
45120378	Defined_Bond_Stereo_Count	0
139057938	Mono_Isotopic_Weight	365.1142338
86088606	Rotatable_Bond_Count	1
3858	Hydrogen_Bond_Donor_Count	2
214273	Isotope_Atom_Count	0
11327	Rotatable_Bond_Count	0
11869222	Molecular_Weight	401.5
10239	Structure_Complexity	354
31200	Mono_Isotopic_Weight	277.01738065
60021	Hydrogen_Bond_Acceptor_Count	9
56430	Defined_Atom_Stereo_Count	0
7809	Molecular_Weight	106.16
73346078	Covalent_Unit_Count	1
449331	Rotatable_Bond_Count	31
10195	Defined_Atom_Stereo_Count	0
91668177	TPSA	3180
69744	Defined_Atom_Stereo_Count	0
71357440	Rotatable_Bond_Count	1
4547	Total_Formal_Charge	0
14577084	Rotatable_Bond_Count	0
91936863	Structure_Complexity	1840
517057	Tautomer_Count	1
7729	Hydrogen_Bond_Donor_Count	1
12268510	Undefined_Bond_Stereo_Count	0
62583	Defined_Atom_Stereo_Count	0
132274070	XLogP3-AA	5.6
6656	Rotatable_Bond_Count	1
9708	Undefined_Atom_Stereo_Count	0
28397	Structure_Complexity	311
5381214	Undefined_Atom_Stereo_Count	13
51003749	Structure_Complexity	335
447477	Total_Formal_Charge	1
72004	Undefined_Bond_Stereo_Count	0
53480	Structure_Complexity	181
829	Isotope_Atom_Count	0
71541083	Total_Formal_Charge	0
261	Structure_Complexity	24.8
55604	Structure_Complexity	686
124224929	Exact_Mass	842.51400504
659064	Covalent_Unit_Count	1
46841787	Hydrogen_Bond_Acceptor_Count	13
974	Tautomer_Count	2
84647682	Defined_Bond_Stereo_Count	0
9861124	Exact_Mass	299.0279976
82751	Isotope_Atom_Count	0
144008101	Rotatable_Bond_Count	0
43594	Total_Formal_Charge	0
400769	Hydrogen_Bond_Donor_Count	0
529272	XLogP3-AA	3.1
11063855	Mono_Isotopic_Weight	216.208930132
3265	Mono_Isotopic_Weight	384.23005950
3754	Covalent_Unit_Count	1
15953353	Rotatable_Bond_Count	11
5487542	Rotatable_Bond_Count	5
107217	Structure_Complexity	270
220401	Defined_Bond_Stereo_Count	0
19070	Undefined_Atom_Stereo_Count	0
13214	Hydrogen_Bond_Donor_Count	0
136117120	Non-hydrogen_Atom_Count	61
5460037	Covalent_Unit_Count	1
65814	Covalent_Unit_Count	1
8925	Hydrogen_Bond_Donor_Count	0
3054741	Undefined_Bond_Stereo_Count	0
60824	Molecular_Weight	349.30
61029	Structure_Complexity	366
135979919	Non-hydrogen_Atom_Count	24
10301	Molecular_Weight	136.15
57656729	Defined_Bond_Stereo_Count	0
40685	Tautomer_Count	29
441071	Undefined_Atom_Stereo_Count	0
5355863	Defined_Atom_Stereo_Count	0
20056625	TPSA	76
704328	Non-hydrogen_Atom_Count	24
15580	Exact_Mass	276.0319997
9002	Rotatable_Bond_Count	2
257950	Defined_Bond_Stereo_Count	0
72199432	TPSA	133
19966	Defined_Bond_Stereo_Count	0
124504488	Structure_Complexity	382
67439664	TPSA	143
54372438	Isotope_Atom_Count	0
5360487	Hydrogen_Bond_Acceptor_Count	8
16688300	Covalent_Unit_Count	1
84036	Isotope_Atom_Count	0
171227	Rotatable_Bond_Count	2
11496886	Non-hydrogen_Atom_Count	26
9828356	XLogP3-AA	1
44451124	Undefined_Atom_Stereo_Count	0
6770	Exact_Mass	323.11575802
7672	Undefined_Bond_Stereo_Count	0
6125184	Non-hydrogen_Atom_Count	24
45923684	Rotatable_Bond_Count	0
54420681	Mono_Isotopic_Weight	116.083729621
66616	Hydrogen_Bond_Acceptor_Count	3
19385	Covalent_Unit_Count	1
54023535	XLogP3-AA	1.7
128549	Exact_Mass	402.21547206
25023856	Covalent_Unit_Count	1
38521	Undefined_Bond_Stereo_Count	0
2633	TPSA	304
105125	Covalent_Unit_Count	1
53262279	Undefined_Bond_Stereo_Count	0
580061	Structure_Complexity	87.1
449575	Hydrogen_Bond_Acceptor_Count	25
59856471	Mono_Isotopic_Weight	757.37204952
13582	Rotatable_Bond_Count	10
168083	Undefined_Atom_Stereo_Count	0
636405	Mono_Isotopic_Weight	612.12093748
12801	Molecular_Weight	162.14
12231415	Isotope_Atom_Count	0
54170005	Non-hydrogen_Atom_Count	7
91339524	Mono_Isotopic_Weight	96.068748264
8878	Exact_Mass	170.130679813
6917974	Undefined_Atom_Stereo_Count	0
11983193	Rotatable_Bond_Count	12
56643420	Structure_Complexity	457
33068	Isotope_Atom_Count	0
5596	Covalent_Unit_Count	1
6540298	Undefined_Atom_Stereo_Count	0
55287958	Hydrogen_Bond_Acceptor_Count	2
70590037	Covalent_Unit_Count	4
6918146	Undefined_Atom_Stereo_Count	2
68022407	Mono_Isotopic_Weight	112.063662883
2822	Undefined_Bond_Stereo_Count	0
29758	Non-hydrogen_Atom_Count	13
16842	TPSA	37.4
11722286	Covalent_Unit_Count	2
449593	Hydrogen_Bond_Donor_Count	2
6001	Rotatable_Bond_Count	0
162321	Defined_Atom_Stereo_Count	2
4847	Hydrogen_Bond_Donor_Count	0
84098	Isotope_Atom_Count	0
136738541	Exact_Mass	1115.33041247
17014	Undefined_Atom_Stereo_Count	0
82851	Undefined_Bond_Stereo_Count	0
15256279	Non-hydrogen_Atom_Count	7
12229396	XLogP3	3.2
6432469	Total_Formal_Charge	0
11434920	Total_Formal_Charge	0
21139920	Undefined_Bond_Stereo_Count	0
72941990	Mono_Isotopic_Weight	390.0625864
491	Isotope_Atom_Count	0
46968	Structure_Complexity	235
6608	Rotatable_Bond_Count	2
1201518	Molecular_Weight	154.25
97780	Structure_Complexity	164
559740	Molecular_Weight	129.24
20691661	Hydrogen_Bond_Donor_Count	2
23617863	Undefined_Atom_Stereo_Count	0
11243457	Defined_Bond_Stereo_Count	0
6435836	Defined_Atom_Stereo_Count	0
529399	Structure_Complexity	72.9
2884	Structure_Complexity	1930
23324969	Isotope_Atom_Count	0
37251	Total_Formal_Charge	0
3035	Defined_Bond_Stereo_Count	0
2266	Non-hydrogen_Atom_Count	13
53242178	Undefined_Atom_Stereo_Count	0
11686063	Exact_Mass	648.21129366
69833	Hydrogen_Bond_Acceptor_Count	1
13205764	Defined_Bond_Stereo_Count	0
5748551	Hydrogen_Bond_Donor_Count	2
66536	Hydrogen_Bond_Donor_Count	1
21527	Non-hydrogen_Atom_Count	11
31736	XLogP3	3.3
89053239	Exact_Mass	107.037113783
66117	Defined_Bond_Stereo_Count	0
59216333	TPSA	53.8
14200531	Undefined_Atom_Stereo_Count	0
54079804	Isotope_Atom_Count	0
25203302	Mono_Isotopic_Weight	291.83707
85999939	Mono_Isotopic_Weight	107.073499291
54136224	Non-hydrogen_Atom_Count	8
129848584	Structure_Complexity	57.7
4479912	Rotatable_Bond_Count	10
76997	Covalent_Unit_Count	1
77262	Covalent_Unit_Count	1
148449100	Undefined_Atom_Stereo_Count	2
11518211	Structure_Complexity	699
8878	XLogP3-AA	3.2
9865961	Exact_Mass	404.2230560
130002904	Mono_Isotopic_Weight	114.068079557
18939579	Covalent_Unit_Count	1
44181732	Undefined_Bond_Stereo_Count	0
12242815	Hydrogen_Bond_Acceptor_Count	1
591	Mono_Isotopic_Weight	893.20709926
139085145	Isotope_Atom_Count	0
131676399	Structure_Complexity	590
139251219	Isotope_Atom_Count	0
149096	Tautomer_Count	1
13342	Rotatable_Bond_Count	10
65099	Rotatable_Bond_Count	1
8859	Total_Formal_Charge	0
109022	Covalent_Unit_Count	1
84647715	Defined_Bond_Stereo_Count	0
135513268	Undefined_Atom_Stereo_Count	0
5462508	Defined_Atom_Stereo_Count	5
11543205	Total_Formal_Charge	0
3018793	Tautomer_Count	2
4616	Non-hydrogen_Atom_Count	20
70267665	Total_Formal_Charge	0
1379	TPSA	55.8
598696	Exact_Mass	338.0822054
32	Hydrogen_Bond_Acceptor_Count	6
12563	Non-hydrogen_Atom_Count	13
53778	Defined_Atom_Stereo_Count	0
42470	Rotatable_Bond_Count	10
24901351	XLogP3-AA	3.3
65374	Isotope_Atom_Count	0
4215	Rotatable_Bond_Count	23
4538	Hydrogen_Bond_Donor_Count	3
4964	Isotope_Atom_Count	0
71716733	TPSA	33.2
12275548	Mono_Isotopic_Weight	376.07943208
2724387	Hydrogen_Bond_Acceptor_Count	6
400182	Hydrogen_Bond_Acceptor_Count	7
66776828	Isotope_Atom_Count	0
130731	Mono_Isotopic_Weight	573.20842962
5362485	Undefined_Bond_Stereo_Count	0
18470	TPSA	0
130035101	Molecular_Weight	112.13
219020	Total_Formal_Charge	0
53326156	Defined_Bond_Stereo_Count	0
155346	Defined_Bond_Stereo_Count	0
3047822	Hydrogen_Bond_Acceptor_Count	4
11391	TPSA	189
22123753	Rotatable_Bond_Count	4
22149470	Defined_Atom_Stereo_Count	0
90243427	Hydrogen_Bond_Acceptor_Count	2
95162564	Non-hydrogen_Atom_Count	23
137072	Molecular_Weight	96.17
69188	Tautomer_Count	1
61789	Total_Formal_Charge	0
1570	Mono_Isotopic_Weight	127.00918496
81223	Defined_Atom_Stereo_Count	0
2734179	Structure_Complexity	134
281	Structure_Complexity	10
82153	Undefined_Bond_Stereo_Count	0
2006	Non-hydrogen_Atom_Count	17
5523	Exact_Mass	263.188529040
9811837	Hydrogen_Bond_Acceptor_Count	11
10555851	Defined_Atom_Stereo_Count	11
165971	TPSA	3
72775170	Undefined_Bond_Stereo_Count	1
50914976	Structure_Complexity	535
8188	Non-hydrogen_Atom_Count	12
609492	Covalent_Unit_Count	1
28540	Covalent_Unit_Count	1
23725019	Structure_Complexity	46.1
87716431	Exact_Mass	1058.0796341
87810	Undefined_Bond_Stereo_Count	0
96568	Structure_Complexity	216
65833	Tautomer_Count	1
313215	Defined_Atom_Stereo_Count	0
24868273	Undefined_Bond_Stereo_Count	0
1023	Defined_Atom_Stereo_Count	0
2723631	Undefined_Bond_Stereo_Count	0
52940915	TPSA	67.9
19430196	Total_Formal_Charge	0
45344	Tautomer_Count	1
87114	TPSA	42.1
3240	Covalent_Unit_Count	1
54586720	Molecular_Weight	314.4
62572	Hydrogen_Bond_Donor_Count	1
122198140	Undefined_Bond_Stereo_Count	0
70683091	Structure_Complexity	683
21703573	Undefined_Bond_Stereo_Count	0
12644711	Mono_Isotopic_Weight	82.053098200
6540640	TPSA	78.9
58265608	Mono_Isotopic_Weight	100.100048391
69402	Defined_Bond_Stereo_Count	0
86593	Undefined_Bond_Stereo_Count	0
66825	Defined_Bond_Stereo_Count	0
135814155	Undefined_Bond_Stereo_Count	0
22674	Rotatable_Bond_Count	6
12910381	Exact_Mass	101.120449483
77687	Covalent_Unit_Count	1
54742254	Total_Formal_Charge	0
398596	Undefined_Bond_Stereo_Count	0
68770	Hydrogen_Bond_Acceptor_Count	4
701923	Defined_Atom_Stereo_Count	1
6397	Rotatable_Bond_Count	0
9012	Covalent_Unit_Count	1
5284537	Hydrogen_Bond_Donor_Count	1
611162	Structure_Complexity	359
1899	Defined_Bond_Stereo_Count	0
14017	Isotope_Atom_Count	0
45345	TPSA	21.7
163285897	Total_Formal_Charge	0
21401481	Hydrogen_Bond_Acceptor_Count	2
14644797	Defined_Bond_Stereo_Count	0
2787089	Covalent_Unit_Count	1
22094758	Exact_Mass	112.052429494
126514322	Covalent_Unit_Count	1
10877079	Hydrogen_Bond_Donor_Count	1
15271	Non-hydrogen_Atom_Count	9
53237112	Undefined_Bond_Stereo_Count	0
22099238	Non-hydrogen_Atom_Count	8
595317	Covalent_Unit_Count	1
131839562	Hydrogen_Bond_Acceptor_Count	13
46780884	Exact_Mass	561.1909599
542892	Non-hydrogen_Atom_Count	8
88941292	Total_Formal_Charge	0
66112	Non-hydrogen_Atom_Count	6
588963	Non-hydrogen_Atom_Count	20
138496	Hydrogen_Bond_Donor_Count	0
449328	Covalent_Unit_Count	1
323	Hydrogen_Bond_Acceptor_Count	2
7206	Non-hydrogen_Atom_Count	17
4842	TPSA	40.6
8424	Structure_Complexity	123
23617198	Molecular_Weight	458.9
27024	Tautomer_Count	1
66623496	Non-hydrogen_Atom_Count	8
85694	Covalent_Unit_Count	1
1010	Total_Formal_Charge	0
128820	Defined_Atom_Stereo_Count	0
75534859	Hydrogen_Bond_Donor_Count	5
24083	Total_Formal_Charge	0
5361092	Isotope_Atom_Count	0
44414758	Hydrogen_Bond_Acceptor_Count	3
23087774	Structure_Complexity	99.1
14221	Defined_Bond_Stereo_Count	0
21870	Defined_Bond_Stereo_Count	0
39421	Structure_Complexity	569
46782912	XLogP3	0.9
44623071	XLogP3-AA	0.6
46907953	TPSA	49.3
24721009	Tautomer_Count	1
129009964	Isotope_Atom_Count	0
81761	Molecular_Weight	444.0
3955599	Isotope_Atom_Count	0
142583	Total_Formal_Charge	0
173730	Hydrogen_Bond_Acceptor_Count	5
124247	Hydrogen_Bond_Donor_Count	3
4248	Defined_Bond_Stereo_Count	0
65125	Exact_Mass	112.03851076
10175126	Undefined_Bond_Stereo_Count	0
6271	Total_Formal_Charge	0
57257887	Exact_Mass	243.162314293
43220	Undefined_Bond_Stereo_Count	0
23663404	Undefined_Atom_Stereo_Count	1
80472	Non-hydrogen_Atom_Count	13
246983	Isotope_Atom_Count	0
65464	Covalent_Unit_Count	2
26066	Structure_Complexity	37.4
77338	Undefined_Atom_Stereo_Count	0
3058751	Hydrogen_Bond_Acceptor_Count	5
629281	TPSA	105
14181658	Defined_Atom_Stereo_Count	4
2718	Isotope_Atom_Count	0
45609	Non-hydrogen_Atom_Count	35
11060	Undefined_Atom_Stereo_Count	0
76380	Exact_Mass	350.15180918
141411141	Hydrogen_Bond_Donor_Count	2
4249	Defined_Atom_Stereo_Count	0
230826	Defined_Atom_Stereo_Count	0
11501341	Mono_Isotopic_Weight	358.192206
129316905	Hydrogen_Bond_Acceptor_Count	6
22267	Structure_Complexity	346
76710	Hydrogen_Bond_Acceptor_Count	1
12206	Defined_Bond_Stereo_Count	0
941915	Undefined_Atom_Stereo_Count	0
37427	Undefined_Bond_Stereo_Count	0
10198719	Molecular_Weight	243.33
16683012	Isotope_Atom_Count	0
154776153	Exact_Mass	284.16237386
156599083	Defined_Bond_Stereo_Count	1
7623	Structure_Complexity	110
6338	Hydrogen_Bond_Acceptor_Count	0
3058751	Isotope_Atom_Count	0
5464355	Undefined_Bond_Stereo_Count	0
10568	Hydrogen_Bond_Donor_Count	0
65589	Molecular_Weight	296.4
2392	Total_Formal_Charge	0
60196281	Tautomer_Count	28
136965670	Structure_Complexity	1130
62731702	TPSA	48.9
440122	Undefined_Atom_Stereo_Count	1
11972518	Exact_Mass	1110.57633051
14825	Isotope_Atom_Count	0
3045407	Tautomer_Count	1
4594	TPSA	96.3
446925	Rotatable_Bond_Count	16
11126224	Isotope_Atom_Count	0
57504473	Undefined_Atom_Stereo_Count	1
444614	Non-hydrogen_Atom_Count	25
10557575	Mono_Isotopic_Weight	871.36264935
11480401	Defined_Bond_Stereo_Count	0
816	Rotatable_Bond_Count	6
97536	Isotope_Atom_Count	0
60196414	Undefined_Bond_Stereo_Count	0
5568	Rotatable_Bond_Count	4
7272	Rotatable_Bond_Count	0
521196	Defined_Atom_Stereo_Count	0
11954236	Molecular_Weight	882.8
11637983	Rotatable_Bond_Count	3
11528340	Mono_Isotopic_Weight	118.074227566
6432903	Rotatable_Bond_Count	5
5367719	Undefined_Atom_Stereo_Count	2
7020337	Undefined_Bond_Stereo_Count	0
164158597	TPSA	62
9939609	TPSA	81.5
67533	Rotatable_Bond_Count	3
44146477	Undefined_Atom_Stereo_Count	0
6977134	Rotatable_Bond_Count	2
517743	Rotatable_Bond_Count	3
81920	Non-hydrogen_Atom_Count	13
9955015	Structure_Complexity	453
91933514	Molecular_Weight	1820.1
328883	Isotope_Atom_Count	0
11895	Exact_Mass	170.0134572
87186939	Exact_Mass	113.022526347
11007	Structure_Complexity	123
12407	Total_Formal_Charge	0
3531736	Hydrogen_Bond_Acceptor_Count	4
129009953	Exact_Mass	213.0750129
3008319	Total_Formal_Charge	0
59648985	TPSA	23.8
643102	Covalent_Unit_Count	1
44305779	Structure_Complexity	770
22184652	Non-hydrogen_Atom_Count	36
75577315	Defined_Atom_Stereo_Count	0
1616961	TPSA	16.6
12524	Hydrogen_Bond_Acceptor_Count	2
102234473	Defined_Bond_Stereo_Count	0
642344	Defined_Atom_Stereo_Count	0
10346039	Hydrogen_Bond_Donor_Count	5
23519852	Defined_Bond_Stereo_Count	0
15707890	TPSA	47.8
15037	Molecular_Weight	147.17
95431	Covalent_Unit_Count	1
12281	Total_Formal_Charge	0
136261376	Molecular_Weight	110.12
3748774	Covalent_Unit_Count	1
13308	Molecular_Weight	286.4
7533	Exact_Mass	179.06161445
12456	Covalent_Unit_Count	2
101992406	Molecular_Weight	111.07
718	Isotope_Atom_Count	0
7020337	Hydrogen_Bond_Acceptor_Count	9
23724967	Non-hydrogen_Atom_Count	73
5368831	Tautomer_Count	1
11562233	Total_Formal_Charge	0
7123	Exact_Mass	172.052429494
688145	TPSA	29.1
60835	XLogP3-AA	4.3
90352849	Non-hydrogen_Atom_Count	8
25167947	Rotatable_Bond_Count	18
104916	TPSA	45.2
2600	Defined_Atom_Stereo_Count	0
220861	Hydrogen_Bond_Acceptor_Count	14
30214	Hydrogen_Bond_Acceptor_Count	2
24901347	Mono_Isotopic_Weight	463.19296297
548769	Mono_Isotopic_Weight	93.032697108
67214	Undefined_Bond_Stereo_Count	0
88525	Hydrogen_Bond_Donor_Count	0
123935295	Molecular_Weight	94.15
12054557	Exact_Mass	302.224580195
51933	Covalent_Unit_Count	1
3022709	Hydrogen_Bond_Donor_Count	2
83295	Rotatable_Bond_Count	18
31823	XLogP3-AA	5.5
188583	Covalent_Unit_Count	1
12878836	Defined_Bond_Stereo_Count	0
101049151	Isotope_Atom_Count	0
53167	Rotatable_Bond_Count	0
31386	XLogP3	2.4
129628421	Mono_Isotopic_Weight	1295.274579
60612	Undefined_Atom_Stereo_Count	0
5363095	Covalent_Unit_Count	1
23458177	Defined_Atom_Stereo_Count	0
12479	Non-hydrogen_Atom_Count	14
2761815	XLogP3	0.1
138059742	Isotope_Atom_Count	0
56972160	Total_Formal_Charge	0
5281032	Structure_Complexity	548
1893	Tautomer_Count	2
4997	Structure_Complexity	340
8786	Hydrogen_Bond_Acceptor_Count	2
191	Undefined_Atom_Stereo_Count	4
36405	Isotope_Atom_Count	0
82741	Mono_Isotopic_Weight	133.110278721
3424274	Structure_Complexity	201
54006055	Defined_Bond_Stereo_Count	0
6694	Non-hydrogen_Atom_Count	34
13752005	Molecular_Weight	327.5
25050	Rotatable_Bond_Count	1
5748434	Undefined_Atom_Stereo_Count	0
102492303	Structure_Complexity	138
54387833	XLogP3-AA	0.2
12245594	Undefined_Atom_Stereo_Count	2
101978361	Undefined_Bond_Stereo_Count	0
3038097	Covalent_Unit_Count	1
71602803	Covalent_Unit_Count	1
18233	Isotope_Atom_Count	0
69158971	Defined_Atom_Stereo_Count	0
5280493	TPSA	242
7106	Undefined_Atom_Stereo_Count	0
5310957	Hydrogen_Bond_Acceptor_Count	5
3086677	Hydrogen_Bond_Acceptor_Count	12
83303	Exact_Mass	112.052429494
44410869	Molecular_Weight	459.9
192706	Hydrogen_Bond_Donor_Count	1
24901347	Rotatable_Bond_Count	11
131982921	Covalent_Unit_Count	1
23279022	Hydrogen_Bond_Donor_Count	2
10833710	Tautomer_Count	9
65953	Tautomer_Count	10
3688	Undefined_Atom_Stereo_Count	1
123804924	Defined_Atom_Stereo_Count	0
52942704	Rotatable_Bond_Count	5
961335	Exact_Mass	197.121592296
11697219	Non-hydrogen_Atom_Count	31
51671	Total_Formal_Charge	0
57438703	Molecular_Weight	116.04
63312	Total_Formal_Charge	0
6485793	Non-hydrogen_Atom_Count	28
2735362	Hydrogen_Bond_Donor_Count	1
3097	Total_Formal_Charge	0
21869002	Rotatable_Bond_Count	2
638116	Non-hydrogen_Atom_Count	7
5462977	XLogP3-AA	1.7
12739608	Hydrogen_Bond_Donor_Count	0
946	Rotatable_Bond_Count	0
7450	Hydrogen_Bond_Donor_Count	0
6877	Defined_Atom_Stereo_Count	0
10021510	Covalent_Unit_Count	1
441335	Mono_Isotopic_Weight	426.1364648
72179	Molecular_Weight	429.6
79693	Non-hydrogen_Atom_Count	14
448388	Exact_Mass	180.06338810
32040	Rotatable_Bond_Count	5
59144	Structure_Complexity	207
2825062	Undefined_Atom_Stereo_Count	0
62453	Isotope_Atom_Count	0
85446057	Mono_Isotopic_Weight	102.079312947
626738	Rotatable_Bond_Count	5
67849558	Total_Formal_Charge	0
43997	Defined_Bond_Stereo_Count	0
23450	Tautomer_Count	6
3058753	Hydrogen_Bond_Acceptor_Count	2
22385728	Hydrogen_Bond_Donor_Count	1
31249	Defined_Atom_Stereo_Count	0
69571381	Defined_Atom_Stereo_Count	0
21563	Hydrogen_Bond_Acceptor_Count	4
24763202	Hydrogen_Bond_Acceptor_Count	4
86307	Hydrogen_Bond_Acceptor_Count	2
11442891	Exact_Mass	474.23793884
3081143	Hydrogen_Bond_Donor_Count	2
135402034	Non-hydrogen_Atom_Count	20
70697627	Exact_Mass	1457.7262706
73920	Mono_Isotopic_Weight	342.06405680
136791	Covalent_Unit_Count	1
40652	Exact_Mass	351.20457303
8763	Rotatable_Bond_Count	11
92395	TPSA	119
138059664	Isotope_Atom_Count	0
70807	Total_Formal_Charge	0
143682218	Hydrogen_Bond_Acceptor_Count	1
5364759	Isotope_Atom_Count	0
2734920	Defined_Bond_Stereo_Count	0
10622871	Molecular_Weight	438.5
39174	Defined_Bond_Stereo_Count	0
435	Undefined_Bond_Stereo_Count	0
90472388	Covalent_Unit_Count	2
11556910	Covalent_Unit_Count	1
119093923	Hydrogen_Bond_Acceptor_Count	4
8153	Isotope_Atom_Count	0
123713822	Structure_Complexity	113
135391142	Covalent_Unit_Count	3
10486805	Mono_Isotopic_Weight	100.063662883
22499132	Molecular_Weight	107.11
2763760	Undefined_Bond_Stereo_Count	0
41384	Defined_Bond_Stereo_Count	0
51178	Hydrogen_Bond_Donor_Count	0
135413525	Mono_Isotopic_Weight	241.09635999
12385939	Mono_Isotopic_Weight	117.053826475
129316177	Total_Formal_Charge	0
51397022	Defined_Bond_Stereo_Count	0
53151	Defined_Atom_Stereo_Count	0
96129	Hydrogen_Bond_Donor_Count	1
160534	Molecular_Weight	102.09
68602320	Hydrogen_Bond_Acceptor_Count	2
15918561	Undefined_Atom_Stereo_Count	0
1724	Covalent_Unit_Count	1
8006	Defined_Bond_Stereo_Count	0
33311	Mono_Isotopic_Weight	297.15512091
6492	Undefined_Bond_Stereo_Count	0
11355992	Rotatable_Bond_Count	10
441407	TPSA	141
158782	Undefined_Atom_Stereo_Count	0
21581715	Undefined_Bond_Stereo_Count	0
22983309	Rotatable_Bond_Count	0
284948	Defined_Bond_Stereo_Count	0
21962683	Exact_Mass	110.109550447
85057	Non-hydrogen_Atom_Count	33
1549097	Non-hydrogen_Atom_Count	9
5742631	Hydrogen_Bond_Acceptor_Count	6
13284157	Non-hydrogen_Atom_Count	8
26058	Total_Formal_Charge	0
74079	Hydrogen_Bond_Acceptor_Count	4
68711	Exact_Mass	527.17914612
599239	Non-hydrogen_Atom_Count	18
11029889	Defined_Bond_Stereo_Count	0
6918602	Rotatable_Bond_Count	8
25142700	TPSA	132
592645	Non-hydrogen_Atom_Count	12
7328	Tautomer_Count	1
7048703	Covalent_Unit_Count	1
39	XLogP3-AA	0.6
562767	Defined_Atom_Stereo_Count	0
22395644	Covalent_Unit_Count	1
7817	Tautomer_Count	6
65787	Undefined_Bond_Stereo_Count	0
12451640	Rotatable_Bond_Count	5
13003788	Undefined_Atom_Stereo_Count	5
5326	Undefined_Bond_Stereo_Count	0
540	Covalent_Unit_Count	1
30487	Undefined_Bond_Stereo_Count	0
9517	Non-hydrogen_Atom_Count	14
46708292	XLogP3-AA	0.3
44452442	Hydrogen_Bond_Acceptor_Count	4
33627	Non-hydrogen_Atom_Count	32
145679260	Structure_Complexity	125
441080	TPSA	46.9
18352108	Isotope_Atom_Count	0
20055397	Hydrogen_Bond_Acceptor_Count	5
72200931	Isotope_Atom_Count	0
67296	Hydrogen_Bond_Donor_Count	1
94395	Non-hydrogen_Atom_Count	5
1416	Hydrogen_Bond_Donor_Count	1
89534431	XLogP3-AA	0.6
154526012	TPSA	26.3
91558	Exact_Mass	360.1604557
31374	Total_Formal_Charge	0
800	Undefined_Bond_Stereo_Count	0
2051	Isotope_Atom_Count	0
16043	Mono_Isotopic_Weight	166.099379685
6435463	Covalent_Unit_Count	1
6451284	Hydrogen_Bond_Acceptor_Count	1
100930731	Structure_Complexity	115
115034	Tautomer_Count	1
78035	Molecular_Weight	83.09
4898	Covalent_Unit_Count	1
15174590	Hydrogen_Bond_Donor_Count	1
133059	Molecular_Weight	360.4
93186	Structure_Complexity	136
4098	Exact_Mass	261.12996879
78422631	Hydrogen_Bond_Acceptor_Count	2
96570	XLogP3	3.7
25137854	Non-hydrogen_Atom_Count	26
20788567	Total_Formal_Charge	0
4917	Molecular_Weight	373.9
8255	Exact_Mass	56.062600255
10024	TPSA	18.5
162955687	Hydrogen_Bond_Donor_Count	8
736366	Hydrogen_Bond_Donor_Count	2
123816919	Exact_Mass	108.093900383
3011527	Structure_Complexity	764
11137118	Structure_Complexity	153
5311055	Tautomer_Count	1
4369536	XLogP3-AA	3.4
170501	Defined_Bond_Stereo_Count	0
11690378	Defined_Atom_Stereo_Count	0
3651377	Undefined_Atom_Stereo_Count	0
447569	Exact_Mass	131.058243149
6974	Hydrogen_Bond_Donor_Count	0
2501	Total_Formal_Charge	0
286595	Non-hydrogen_Atom_Count	9
150841	Total_Formal_Charge	0
14119	Hydrogen_Bond_Donor_Count	1
5665	Structure_Complexity	112
40512	Undefined_Bond_Stereo_Count	0
13573327	Hydrogen_Bond_Acceptor_Count	0
3154	Exact_Mass	324.02722052
147074	Hydrogen_Bond_Donor_Count	1
56643420	Isotope_Atom_Count	1
11569967	Structure_Complexity	730
152932	Exact_Mass	288.14380491
297777	Mono_Isotopic_Weight	413.18383758
63979	Undefined_Bond_Stereo_Count	0
101316975	Structure_Complexity	1070
70447	Undefined_Bond_Stereo_Count	0
6957965	Non-hydrogen_Atom_Count	29
89274700	TPSA	49.8
157684	Total_Formal_Charge	0
90475888	Structure_Complexity	627
533432	Rotatable_Bond_Count	0
5783	Isotope_Atom_Count	0
72002	XLogP3-AA	4.7
66057	Hydrogen_Bond_Acceptor_Count	2
134	Hydrogen_Bond_Donor_Count	1
138137	Hydrogen_Bond_Acceptor_Count	0
11462546	Rotatable_Bond_Count	6
16217634	Undefined_Atom_Stereo_Count	3
12540907	TPSA	37.4
510	Structure_Complexity	248
12701395	Defined_Bond_Stereo_Count	0
45358001	Hydrogen_Bond_Donor_Count	6
6769	Isotope_Atom_Count	0
8747	Molecular_Weight	321.70
72163100	Non-hydrogen_Atom_Count	43
91067785	Covalent_Unit_Count	1
73847	XLogP3-AA	2.4
54739048	Total_Formal_Charge	0
6872	Defined_Atom_Stereo_Count	0
25104740	Covalent_Unit_Count	1
59525132	XLogP3-AA	0.1
98442	Structure_Complexity	276
87653	Undefined_Bond_Stereo_Count	0
60164	Total_Formal_Charge	0
5243	Exact_Mass	437.02390878
11647276	Exact_Mass	412.1796670
68696	XLogP3-AA	3.3
21884720	Covalent_Unit_Count	1
171375	Mono_Isotopic_Weight	196.06129390
6475	Undefined_Bond_Stereo_Count	0
104838	Exact_Mass	299.09397721
10646	Non-hydrogen_Atom_Count	21
27566	Hydrogen_Bond_Donor_Count	0
21806052	Undefined_Bond_Stereo_Count	0
57004451	Rotatable_Bond_Count	1
2736145	Covalent_Unit_Count	1
20394923	TPSA	46.2
10329248	Non-hydrogen_Atom_Count	6
53479	Structure_Complexity	199
541506	Total_Formal_Charge	0
60196385	Defined_Atom_Stereo_Count	0
12958096	Total_Formal_Charge	0
1549517	Hydrogen_Bond_Acceptor_Count	1
54573150	Non-hydrogen_Atom_Count	8
130443213	Structure_Complexity	867
138510	Isotope_Atom_Count	0
13597	Covalent_Unit_Count	1
101381993	Mono_Isotopic_Weight	191.02185764
699683	Molecular_Weight	347.4
95767	Structure_Complexity	178
68700720	Undefined_Atom_Stereo_Count	0
18597	Mono_Isotopic_Weight	150.104465066
129638548	Total_Formal_Charge	0
13452201	Non-hydrogen_Atom_Count	7
20488107	Exact_Mass	139.04557046
527072	Isotope_Atom_Count	0
66833956	Total_Formal_Charge	0
16249	Structure_Complexity	164
408714	Undefined_Atom_Stereo_Count	1
102201652	Non-hydrogen_Atom_Count	34
23520950	XLogP3-AA	3.1
549138	Covalent_Unit_Count	1
107273	Hydrogen_Bond_Donor_Count	1
9538	Undefined_Bond_Stereo_Count	0
70355	Undefined_Atom_Stereo_Count	0
22408669	Hydrogen_Bond_Donor_Count	2
10063	Mono_Isotopic_Weight	384.23005950
135465818	Mono_Isotopic_Weight	189.042593085
66323	Defined_Atom_Stereo_Count	0
71308731	Hydrogen_Bond_Donor_Count	2
222465	Tautomer_Count	1
12659781	Defined_Atom_Stereo_Count	0
3707	TPSA	81.2
57399614	TPSA	105
118505252	Hydrogen_Bond_Acceptor_Count	2
54682651	Exact_Mass	342.0658866
20774105	Undefined_Atom_Stereo_Count	0
25137678	Defined_Atom_Stereo_Count	3
23274077	Defined_Atom_Stereo_Count	0
107715	Tautomer_Count	4
44183616	Covalent_Unit_Count	2
11531460	Hydrogen_Bond_Acceptor_Count	4
24757913	Isotope_Atom_Count	0
93012	Total_Formal_Charge	0
3391107	Undefined_Atom_Stereo_Count	0
107349	XLogP3-AA	2.8
10975412	Undefined_Atom_Stereo_Count	1
58902739	Covalent_Unit_Count	1
44521023	Molecular_Weight	398.5
86018330	Defined_Bond_Stereo_Count	0
20058	Covalent_Unit_Count	1
5335	Defined_Atom_Stereo_Count	0
124009720	Defined_Bond_Stereo_Count	0
68737	Covalent_Unit_Count	3
12270430	Isotope_Atom_Count	0
62016	Structure_Complexity	426
5284360	Isotope_Atom_Count	0
10338126	Defined_Atom_Stereo_Count	0
135938	Structure_Complexity	153
5363269	Defined_Atom_Stereo_Count	0
84354	Tautomer_Count	3
11347535	Molecular_Weight	313.77
439196	Hydrogen_Bond_Acceptor_Count	4
69963	Tautomer_Count	1
71587288	Defined_Bond_Stereo_Count	0
22639502	Undefined_Bond_Stereo_Count	0
3005573	Rotatable_Bond_Count	9
31254	Rotatable_Bond_Count	0
410907	Total_Formal_Charge	0
4286	XLogP3-AA	2
1711921	Rotatable_Bond_Count	1
91824751	Hydrogen_Bond_Acceptor_Count	7
12007564	Structure_Complexity	149
94297	Hydrogen_Bond_Donor_Count	0
85538179	Rotatable_Bond_Count	0
163900	Defined_Atom_Stereo_Count	0
123133975	Non-hydrogen_Atom_Count	57
5485201	Mono_Isotopic_Weight	377.1393859
12594656	Undefined_Atom_Stereo_Count	0
25828	Hydrogen_Bond_Donor_Count	1
4451	Non-hydrogen_Atom_Count	40
44134533	Molecular_Weight	328.51
140229084	TPSA	21.6
148429079	Defined_Atom_Stereo_Count	0
123702	Exact_Mass	288.21748344
57255046	Structure_Complexity	109
7135	Defined_Atom_Stereo_Count	0
20234583	Hydrogen_Bond_Acceptor_Count	1
5478927	Undefined_Bond_Stereo_Count	0
3083802	Mono_Isotopic_Weight	316.1553704
20294925	XLogP3	0.3
9989234	Hydrogen_Bond_Donor_Count	1
57398256	Hydrogen_Bond_Donor_Count	2
9427	Defined_Bond_Stereo_Count	0
21328181	Hydrogen_Bond_Donor_Count	2
91563	Structure_Complexity	26.1
285366	Undefined_Bond_Stereo_Count	0
3525005	TPSA	38.8
572254	Undefined_Bond_Stereo_Count	0
4180	Non-hydrogen_Atom_Count	17
1932	Defined_Atom_Stereo_Count	0
11170938	Mono_Isotopic_Weight	112.074896272
61631	Mono_Isotopic_Weight	170.130679813
101544	Undefined_Atom_Stereo_Count	0
5870	Undefined_Atom_Stereo_Count	0
6710735	Undefined_Atom_Stereo_Count	0
86965	Undefined_Atom_Stereo_Count	0
246916	Non-hydrogen_Atom_Count	7
12493366	TPSA	32.1
90876965	Mono_Isotopic_Weight	112.088815002
53384934	Non-hydrogen_Atom_Count	47
2723694	Covalent_Unit_Count	1
24865620	TPSA	91.3
667467	XLogP3	5.2
219224	Rotatable_Bond_Count	3
11974020	XLogP3-AA	3.7
6433573	Covalent_Unit_Count	1
10251	Covalent_Unit_Count	1
21752	Undefined_Bond_Stereo_Count	0
4132	Covalent_Unit_Count	1
8014	Defined_Atom_Stereo_Count	0
90863152	Total_Formal_Charge	0
7900	Undefined_Atom_Stereo_Count	1
9002	Hydrogen_Bond_Donor_Count	4
53681289	Hydrogen_Bond_Acceptor_Count	3
84481	Tautomer_Count	12
68638786	Total_Formal_Charge	0
3033968	Exact_Mass	310.193280068
2734168	Non-hydrogen_Atom_Count	11
53756508	XLogP3-AA	0.1
60853	Mono_Isotopic_Weight	466.0997026
71899	Total_Formal_Charge	0
99014	Defined_Bond_Stereo_Count	0
44341259	Defined_Bond_Stereo_Count	0
390	Rotatable_Bond_Count	9
11819049	Hydrogen_Bond_Donor_Count	1
11978813	TPSA	73
10111264	Hydrogen_Bond_Acceptor_Count	5
11772257	Mono_Isotopic_Weight	342.303499221
23581796	XLogP3	2.7
79488	Hydrogen_Bond_Donor_Count	0
34409	Molecular_Weight	352.3
12989	Covalent_Unit_Count	1
5242433	Structure_Complexity	32.5
54848	Undefined_Bond_Stereo_Count	0
7507	Exact_Mass	114.104465066
496666	TPSA	66.4
55286501	XLogP3-AA	0.7
5423	Undefined_Atom_Stereo_Count	1
225710	Undefined_Bond_Stereo_Count	0
7068	Tautomer_Count	3
517348	Hydrogen_Bond_Acceptor_Count	2
136498	Covalent_Unit_Count	1
21263577	Non-hydrogen_Atom_Count	7
83814961	TPSA	29.1
66968933	TPSA	52.3
429734	Undefined_Bond_Stereo_Count	0
136440	Hydrogen_Bond_Donor_Count	1
11284883	Undefined_Atom_Stereo_Count	0
7319	Non-hydrogen_Atom_Count	13
72551585	Non-hydrogen_Atom_Count	42
9799942	Undefined_Atom_Stereo_Count	1
5311123	Defined_Bond_Stereo_Count	0
12302681	Non-hydrogen_Atom_Count	23
99404	Isotope_Atom_Count	0
36613	Undefined_Bond_Stereo_Count	0
3871454	XLogP3-AA	0.1
11452716	Structure_Complexity	683
2775641	Non-hydrogen_Atom_Count	8
83756	Structure_Complexity	89.6
88314418	Defined_Atom_Stereo_Count	0
17909343	Defined_Atom_Stereo_Count	0
14626842	Hydrogen_Bond_Donor_Count	2
56955186	Covalent_Unit_Count	1
44144429	Structure_Complexity	494
122087	Exact_Mass	335.024662
11569158	Hydrogen_Bond_Donor_Count	1
57009	Total_Formal_Charge	0
54541930	Mono_Isotopic_Weight	115.063328530
131705644	Undefined_Atom_Stereo_Count	1
14577080	XLogP3-AA	3.8
5283321	Defined_Bond_Stereo_Count	2
148244549	TPSA	41.8
5924208	TPSA	49.3
11352366	Hydrogen_Bond_Acceptor_Count	9
5720	Tautomer_Count	2
1939	Total_Formal_Charge	0
91825716	Non-hydrogen_Atom_Count	17
80168	Tautomer_Count	1
83075	Non-hydrogen_Atom_Count	19
47528	Covalent_Unit_Count	1
23668002	Defined_Bond_Stereo_Count	0
11963557	Total_Formal_Charge	0
21339024	Isotope_Atom_Count	0
7940	Isotope_Atom_Count	0
4931	Defined_Bond_Stereo_Count	0
20679021	Undefined_Bond_Stereo_Count	0
281660	Undefined_Atom_Stereo_Count	1
87870846	Molecular_Weight	113.11
6438151	Undefined_Atom_Stereo_Count	0
18998026	Molecular_Weight	102.11
75160	Rotatable_Bond_Count	2
12246933	Defined_Atom_Stereo_Count	0
12500871	Structure_Complexity	48.1
53245830	Undefined_Bond_Stereo_Count	0
3004	Rotatable_Bond_Count	6
22414183	Total_Formal_Charge	0
57185798	Exact_Mass	112.052429494
75310475	Structure_Complexity	815
12285870	Total_Formal_Charge	0
6327799	Tautomer_Count	1
135424747	Covalent_Unit_Count	1
46916280	Total_Formal_Charge	0
60618	Mono_Isotopic_Weight	349.16779360
8085	Covalent_Unit_Count	1
82202	Exact_Mass	115.97544247
40605	Defined_Bond_Stereo_Count	0
14251035	Non-hydrogen_Atom_Count	8
6141	Defined_Bond_Stereo_Count	0
57656641	Non-hydrogen_Atom_Count	27
13896532	Isotope_Atom_Count	0
9928397	Hydrogen_Bond_Acceptor_Count	4
97354	Molecular_Weight	242.31
15920952	Rotatable_Bond_Count	5
43600	Molecular_Weight	179.04
9549303	Hydrogen_Bond_Donor_Count	3
65478	Structure_Complexity	962
64049	Hydrogen_Bond_Acceptor_Count	3
6258	Defined_Atom_Stereo_Count	0
89389546	Covalent_Unit_Count	1
43858	Mono_Isotopic_Weight	116.120115130
17461	Hydrogen_Bond_Donor_Count	8
20483617	Non-hydrogen_Atom_Count	8
633366	Non-hydrogen_Atom_Count	20
21417244	Undefined_Bond_Stereo_Count	0
54680693	Undefined_Atom_Stereo_Count	0
123804812	Mono_Isotopic_Weight	94.078250319
74651	Defined_Bond_Stereo_Count	0
104677	Mono_Isotopic_Weight	195.01024758
9552071	Undefined_Bond_Stereo_Count	0
54676478	Mono_Isotopic_Weight	308.11609238
4011971	Isotope_Atom_Count	0
16684171	Non-hydrogen_Atom_Count	5
9874875	Structure_Complexity	726
10070040	Undefined_Atom_Stereo_Count	0
163418146	Defined_Atom_Stereo_Count	0
3045380	Total_Formal_Charge	0
12023	Isotope_Atom_Count	0
13754	Molecular_Weight	288.28
22571	Isotope_Atom_Count	0
18430468	Rotatable_Bond_Count	0
57641	Hydrogen_Bond_Acceptor_Count	3
14088499	Isotope_Atom_Count	0
445858	Molecular_Weight	194.18
17722	Defined_Bond_Stereo_Count	0
71719928	Hydrogen_Bond_Donor_Count	7
76714	Defined_Bond_Stereo_Count	0
121207368	Hydrogen_Bond_Acceptor_Count	1
135018	Undefined_Atom_Stereo_Count	0
10168	Defined_Bond_Stereo_Count	0
4724212	Structure_Complexity	67.5
630355	Mono_Isotopic_Weight	346.193280068
44349928	Structure_Complexity	251
71317028	Isotope_Atom_Count	0
161965	Exact_Mass	165.115364102
9971484	Covalent_Unit_Count	1
18612333	Isotope_Atom_Count	0
68210	Total_Formal_Charge	0
80786	Mono_Isotopic_Weight	259.886848
8555	Hydrogen_Bond_Acceptor_Count	8
26880	Covalent_Unit_Count	1
163698895	Hydrogen_Bond_Acceptor_Count	3
3092	Mono_Isotopic_Weight	225.03857033
52141942	Isotope_Atom_Count	0
39485	TPSA	35.5
11508	Defined_Atom_Stereo_Count	0
12757	Mono_Isotopic_Weight	110.109550447
5271565	Exact_Mass	144.04225873
20448998	Defined_Bond_Stereo_Count	0
969108	Mono_Isotopic_Weight	301.17902698
3032282	Rotatable_Bond_Count	40
543	Total_Formal_Charge	0
23647397	TPSA	141
10321331	Structure_Complexity	220
38024	Structure_Complexity	258
149026	Structure_Complexity	152
11538502	TPSA	115
86916	Exact_Mass	1016.22084
6371716	Hydrogen_Bond_Donor_Count	0
73333	Non-hydrogen_Atom_Count	29
7067	Structure_Complexity	138
11605	Mono_Isotopic_Weight	80.062600255
129146	Structure_Complexity	205
92727	Rotatable_Bond_Count	15
49869313	Non-hydrogen_Atom_Count	25
565855	Hydrogen_Bond_Acceptor_Count	3
40510	Tautomer_Count	1
7628	Isotope_Atom_Count	0
75082	Exact_Mass	85.089149355
316975	Covalent_Unit_Count	1
84166	Hydrogen_Bond_Donor_Count	0
49646	Tautomer_Count	1
90766	TPSA	21.3
6432238	Undefined_Atom_Stereo_Count	0
13848132	Isotope_Atom_Count	0
7791	Total_Formal_Charge	0
2763078	Isotope_Atom_Count	0
6420022	Exact_Mass	331.1161486
54111	TPSA	38.8
378443	Hydrogen_Bond_Donor_Count	0
54712717	Hydrogen_Bond_Donor_Count	2
100789	Hydrogen_Bond_Acceptor_Count	3
57398255	Exact_Mass	479.16272547
688655	Undefined_Bond_Stereo_Count	0
15207340	Exact_Mass	118.099379685
146156434	Molecular_Weight	602.9
20735704	Non-hydrogen_Atom_Count	7
5283344	Isotope_Atom_Count	0
21304401	Total_Formal_Charge	0
10105	Defined_Atom_Stereo_Count	0
19823	Non-hydrogen_Atom_Count	33
8763	Undefined_Atom_Stereo_Count	0
84647714	Undefined_Bond_Stereo_Count	0
134613	TPSA	92.4
17994055	Defined_Atom_Stereo_Count	0
21519587	Structure_Complexity	99
12508473	Rotatable_Bond_Count	1
135459971	Non-hydrogen_Atom_Count	19
10687	Tautomer_Count	9
214038	Hydrogen_Bond_Donor_Count	3
24635	Molecular_Weight	366.22
47471	Total_Formal_Charge	0
91700388	XLogP3-AA	2.5
4162420	Covalent_Unit_Count	1
107759	Total_Formal_Charge	0
20561716	Hydrogen_Bond_Acceptor_Count	3
13444042	Total_Formal_Charge	0
19935266	Non-hydrogen_Atom_Count	7
54236	Undefined_Atom_Stereo_Count	0
2781	Undefined_Atom_Stereo_Count	2
21080	Exact_Mass	346.15374118
41170	Undefined_Bond_Stereo_Count	0
361739	Isotope_Atom_Count	0
7558	Hydrogen_Bond_Donor_Count	1
3487	Exact_Mass	217.110278721
527764	Covalent_Unit_Count	1
98231	Non-hydrogen_Atom_Count	9
59189059	Total_Formal_Charge	0
61082	Hydrogen_Bond_Donor_Count	0
62924	Isotope_Atom_Count	0
10724	Undefined_Bond_Stereo_Count	0
11744314	Covalent_Unit_Count	1
24182914	Structure_Complexity	121
17861	Undefined_Atom_Stereo_Count	0
73902	Undefined_Atom_Stereo_Count	0
4808	XLogP3-AA	7.4
11524	Structure_Complexity	62.8
68682560	Undefined_Atom_Stereo_Count	0
618848	Hydrogen_Bond_Acceptor_Count	2
9855465	XLogP3-AA	0.3
746471	XLogP3-AA	1.2
73154880	TPSA	27.8
5320250	Undefined_Bond_Stereo_Count	0
279451	Hydrogen_Bond_Acceptor_Count	2
104774	Rotatable_Bond_Count	10
1549522	Exact_Mass	136.052429494
85673900	Mono_Isotopic_Weight	98.084398327
123419	Tautomer_Count	2
22450295	Covalent_Unit_Count	1
74411	Defined_Atom_Stereo_Count	0
12381421	Hydrogen_Bond_Donor_Count	0
219833	Tautomer_Count	1
23622962	Structure_Complexity	226
70678896	Isotope_Atom_Count	0
10457506	Undefined_Bond_Stereo_Count	0
70933	Defined_Bond_Stereo_Count	0
23690430	Isotope_Atom_Count	0
54742567	Exact_Mass	175.02426294
14639247	Undefined_Atom_Stereo_Count	1
7568	Rotatable_Bond_Count	2
151994	XLogP3-AA	1.7
4682	Mono_Isotopic_Weight	1401.73914735
60196329	Molecular_Weight	347.4
6436173	Covalent_Unit_Count	1
5496540	Mono_Isotopic_Weight	1424.55613212
80715	Total_Formal_Charge	0
123639879	Structure_Complexity	58.7
165687912	Undefined_Bond_Stereo_Count	0
135926580	TPSA	309
18622368	Non-hydrogen_Atom_Count	8
92044408	Mono_Isotopic_Weight	1525.3899216
24210	Molecular_Weight	195.34
53465913	Total_Formal_Charge	0
8593	Defined_Atom_Stereo_Count	0
21702818	Mono_Isotopic_Weight	109.052763847
9579050	Defined_Bond_Stereo_Count	1
10258	Non-hydrogen_Atom_Count	14
44368	Mono_Isotopic_Weight	266.109550447
3672	Tautomer_Count	13
13577	Hydrogen_Bond_Acceptor_Count	1
673832	Defined_Atom_Stereo_Count	0
156963402	Covalent_Unit_Count	1
54025583	Defined_Bond_Stereo_Count	0
131853715	Isotope_Atom_Count	0
21702822	TPSA	25.2
21800	Undefined_Atom_Stereo_Count	0
11126225	Hydrogen_Bond_Acceptor_Count	2
159630	Total_Formal_Charge	0
21948548	Covalent_Unit_Count	1
284950	Covalent_Unit_Count	1
58781694	Hydrogen_Bond_Acceptor_Count	2
45266826	Defined_Atom_Stereo_Count	0
64945	Rotatable_Bond_Count	1
86761	Defined_Bond_Stereo_Count	0
281917	Hydrogen_Bond_Acceptor_Count	0
136863	Structure_Complexity	68
7523	Isotope_Atom_Count	0
489236	Covalent_Unit_Count	1
59050126	Structure_Complexity	74.9
66509091	Covalent_Unit_Count	1
80416	Covalent_Unit_Count	2
6922967	XLogP3	0.9
68258	Exact_Mass	148.088815002
16662069	Rotatable_Bond_Count	7
208922	Isotope_Atom_Count	0
3724	Isotope_Atom_Count	0
228131	Isotope_Atom_Count	0
71315333	Undefined_Bond_Stereo_Count	0
23724556	Undefined_Atom_Stereo_Count	7
14772331	Hydrogen_Bond_Donor_Count	1
88929423	XLogP3-AA	1.5
65595	Hydrogen_Bond_Donor_Count	1
84440	Covalent_Unit_Count	1
67125	Structure_Complexity	312
58097518	Hydrogen_Bond_Acceptor_Count	2
57261612	Structure_Complexity	89.7
61008	Defined_Atom_Stereo_Count	0
5479539	Rotatable_Bond_Count	6
11527661	Defined_Bond_Stereo_Count	0
60202105	Molecular_Weight	461.5
16376	Hydrogen_Bond_Donor_Count	1
14436067	Exact_Mass	103.063328530
409474	Defined_Atom_Stereo_Count	0
71695437	TPSA	33
20011	Hydrogen_Bond_Acceptor_Count	4
341	Non-hydrogen_Atom_Count	23
2733515	Hydrogen_Bond_Donor_Count	4
21972128	Hydrogen_Bond_Donor_Count	1
39664	Non-hydrogen_Atom_Count	13
344865	Hydrogen_Bond_Donor_Count	0
91333	Isotope_Atom_Count	0
4736	TPSA	23.5
6163	Molecular_Weight	154.19
90227	Exact_Mass	382.13339621
13861740	Mono_Isotopic_Weight	128.00851382
71675	Exact_Mass	259.1127773
54712667	Undefined_Atom_Stereo_Count	0
91399	Exact_Mass	460.30111643
549808	Defined_Bond_Stereo_Count	0
439958	Non-hydrogen_Atom_Count	16
92821	Defined_Bond_Stereo_Count	0
5281080	Structure_Complexity	1550
680036	Undefined_Atom_Stereo_Count	0
16775060	TPSA	12
54697325	Defined_Bond_Stereo_Count	0
9871419	Exact_Mass	522.18608089
142619	Mono_Isotopic_Weight	112.074896272
76344	Hydrogen_Bond_Acceptor_Count	4
68846936	Rotatable_Bond_Count	7
3055168	Rotatable_Bond_Count	6
15593	Defined_Bond_Stereo_Count	0
69813	Exact_Mass	96.093900383
24769	Isotope_Atom_Count	0
71895	TPSA	66.4
1548986	Isotope_Atom_Count	0
16760139	TPSA	92.4
366248	Isotope_Atom_Count	0
7338	TPSA	29.5
644006	Undefined_Atom_Stereo_Count	0
10774305	Isotope_Atom_Count	0
11051587	Hydrogen_Bond_Donor_Count	0
10950142	Undefined_Atom_Stereo_Count	0
122760	Structure_Complexity	58.7
13435928	XLogP3-AA	0
3878	Hydrogen_Bond_Donor_Count	2
3081364	Total_Formal_Charge	0
137662	Hydrogen_Bond_Acceptor_Count	0
53486288	Hydrogen_Bond_Donor_Count	2
9333	Mono_Isotopic_Weight	141.078978594
90687044	Defined_Atom_Stereo_Count	0
46931057	Rotatable_Bond_Count	17
9305	Undefined_Bond_Stereo_Count	0
4342	Rotatable_Bond_Count	7
54757838	Total_Formal_Charge	0
97109339	TPSA	17.1
31982	XLogP3-AA	2
21537108	Isotope_Atom_Count	0
11282283	Defined_Atom_Stereo_Count	0
13748845	Defined_Atom_Stereo_Count	0
72	Tautomer_Count	10
13894862	Mono_Isotopic_Weight	101.047678466
21282995	Exact_Mass	96.068748264
31100	Covalent_Unit_Count	2
19516	Hydrogen_Bond_Acceptor_Count	2
122623	Non-hydrogen_Atom_Count	24
88589623	Exact_Mass	665.30474055
12870	Covalent_Unit_Count	1
14440271	Defined_Atom_Stereo_Count	0
5367564	Hydrogen_Bond_Donor_Count	0
11083859	Defined_Atom_Stereo_Count	0
54610154	Undefined_Bond_Stereo_Count	0
86851	Structure_Complexity	121
38464	Mono_Isotopic_Weight	265.1000197
53363922	Defined_Atom_Stereo_Count	4
118426	Hydrogen_Bond_Donor_Count	1
71356656	Hydrogen_Bond_Acceptor_Count	1
544380	Defined_Bond_Stereo_Count	0
158299	Structure_Complexity	1480
193994	Undefined_Bond_Stereo_Count	0
135413504	Exact_Mass	315.16952493
3081411	TPSA	340
19877808	Undefined_Bond_Stereo_Count	0
49867704	Structure_Complexity	163
92850	Undefined_Bond_Stereo_Count	0
8844	Defined_Atom_Stereo_Count	0
68424	Mono_Isotopic_Weight	87.068413911
23662382	Total_Formal_Charge	0
9158	Isotope_Atom_Count	0
18999023	Isotope_Atom_Count	0
5330472	Exact_Mass	365.13755610
53421140	Defined_Bond_Stereo_Count	0
11674	Structure_Complexity	86.2
141969427	Undefined_Atom_Stereo_Count	0
418296	Defined_Atom_Stereo_Count	0
643497	Hydrogen_Bond_Donor_Count	2
91867648	Molecular_Weight	13.005739
574808	Isotope_Atom_Count	0
135398558	Rotatable_Bond_Count	7
51003564	Mono_Isotopic_Weight	256.121177757
29772	Total_Formal_Charge	0
73172	Exact_Mass	105.032697108
12182	Structure_Complexity	107
10987299	Isotope_Atom_Count	0
10270986	Defined_Bond_Stereo_Count	1
10337330	Defined_Atom_Stereo_Count	0
158770620	Structure_Complexity	70.8
53393586	Mono_Isotopic_Weight	527.23263824
146158340	Non-hydrogen_Atom_Count	36
41037	Undefined_Atom_Stereo_Count	1
118209817	Undefined_Atom_Stereo_Count	0
42051894	Defined_Bond_Stereo_Count	0
14683451	Hydrogen_Bond_Acceptor_Count	2
10718	Hydrogen_Bond_Donor_Count	3
3036703	Isotope_Atom_Count	0
5724	Covalent_Unit_Count	1
24746982	Undefined_Bond_Stereo_Count	0
133109195	Undefined_Bond_Stereo_Count	1
6708	Total_Formal_Charge	0
22137869	Defined_Atom_Stereo_Count	0
1385867	Rotatable_Bond_Count	3
15908	Non-hydrogen_Atom_Count	11
74652199	TPSA	55.3
6476564	Hydrogen_Bond_Donor_Count	5
131839580	Non-hydrogen_Atom_Count	45
6473876	Molecular_Weight	1202.6
24426	Tautomer_Count	1
21884720	Non-hydrogen_Atom_Count	21
522065	Molecular_Weight	146.30
98174	Defined_Bond_Stereo_Count	0
137530132	XLogP3-AA	4.5
4339626	Molecular_Weight	101.19
14184222	Covalent_Unit_Count	1
71608540	Mono_Isotopic_Weight	598.35592871
45085104	Defined_Atom_Stereo_Count	0
67045	Undefined_Atom_Stereo_Count	0
53297469	Rotatable_Bond_Count	4
35810	Hydrogen_Bond_Acceptor_Count	1
631468	Non-hydrogen_Atom_Count	16
9230	Hydrogen_Bond_Acceptor_Count	0
118155055	Structure_Complexity	132
12598088	Hydrogen_Bond_Donor_Count	1
162955	Rotatable_Bond_Count	2
162955	Hydrogen_Bond_Acceptor_Count	5
24838350	Exact_Mass	1058.31784
721947	Exact_Mass	332.9838118
5442	Total_Formal_Charge	1
6950	Defined_Atom_Stereo_Count	0
129627254	Undefined_Bond_Stereo_Count	0
11350	Hydrogen_Bond_Donor_Count	2
46916	Rotatable_Bond_Count	5
1596	Total_Formal_Charge	0
91392	TPSA	26.3
5702096	Rotatable_Bond_Count	2
18029	Undefined_Atom_Stereo_Count	0
3383476	Molecular_Weight	465.4
94973	Rotatable_Bond_Count	1
5287468	Defined_Bond_Stereo_Count	0
63610	Exact_Mass	439.0854322
5460544	Structure_Complexity	134
66950	TPSA	67.5
6427071	Undefined_Atom_Stereo_Count	0
441351	Isotope_Atom_Count	0
44719547	Defined_Bond_Stereo_Count	0
58423153	Covalent_Unit_Count	1
3081317	Covalent_Unit_Count	1
16211656	Exact_Mass	235.9804853
10192563	Defined_Bond_Stereo_Count	0
74195	Covalent_Unit_Count	1
82728	Non-hydrogen_Atom_Count	11
5311308	Undefined_Bond_Stereo_Count	0
9863043	Undefined_Bond_Stereo_Count	0
74219	Hydrogen_Bond_Donor_Count	1
22103887	Rotatable_Bond_Count	2
911023	Mono_Isotopic_Weight	228.126263138
126672220	Mono_Isotopic_Weight	111.068413911
53321035	Non-hydrogen_Atom_Count	19
226108	Exact_Mass	116.058577502
9176	Isotope_Atom_Count	0
33710	Defined_Bond_Stereo_Count	0
19877808	Hydrogen_Bond_Acceptor_Count	2
92129	Defined_Bond_Stereo_Count	0
16212088	Defined_Atom_Stereo_Count	0
26192	Undefined_Bond_Stereo_Count	0
10928	Defined_Bond_Stereo_Count	0
79117667	Structure_Complexity	135
263608	Non-hydrogen_Atom_Count	12
2733294	Molecular_Weight	142.20
5102882	Rotatable_Bond_Count	1
824336	Non-hydrogen_Atom_Count	23
6018	Undefined_Bond_Stereo_Count	0
23368	Hydrogen_Bond_Acceptor_Count	4
11414	Defined_Atom_Stereo_Count	0
7288	Mono_Isotopic_Weight	86.073164938
465818	Mono_Isotopic_Weight	369.0801570
73895	XLogP3	1.7
72732	Defined_Atom_Stereo_Count	0
1299	Non-hydrogen_Atom_Count	15
11123	Defined_Bond_Stereo_Count	0
2723716	Covalent_Unit_Count	2
6042	Covalent_Unit_Count	2
65659	Total_Formal_Charge	0
440122	TPSA	247
12358497	Structure_Complexity	516
5288600	Isotope_Atom_Count	0
93098	Tautomer_Count	2
3455	Total_Formal_Charge	0
72054	Hydrogen_Bond_Donor_Count	1
4019563	Hydrogen_Bond_Donor_Count	2
68745	Defined_Atom_Stereo_Count	0
73356	Defined_Atom_Stereo_Count	0
53704432	Structure_Complexity	72.9
466151	Total_Formal_Charge	0
16133838	Hydrogen_Bond_Acceptor_Count	54
54411340	Rotatable_Bond_Count	0
155555949	Undefined_Bond_Stereo_Count	0
17118	TPSA	58
148573599	Structure_Complexity	149
4458	Hydrogen_Bond_Donor_Count	1
132035918	Hydrogen_Bond_Donor_Count	4
21157625	Undefined_Bond_Stereo_Count	0
123608	Undefined_Bond_Stereo_Count	0
83322	TPSA	97.6
12202794	Total_Formal_Charge	0
671755	Hydrogen_Bond_Donor_Count	1
9604654	XLogP3-AA	1.1
4561	Molecular_Weight	518.8
224001	Rotatable_Bond_Count	2
72146	Total_Formal_Charge	0
4593	TPSA	70.2
47118	Molecular_Weight	480.21
7857	Exact_Mass	57.021463719
1091	Hydrogen_Bond_Donor_Count	2
65374	Rotatable_Bond_Count	5
17795	Hydrogen_Bond_Acceptor_Count	0
90181814	Hydrogen_Bond_Donor_Count	0
9661	Structure_Complexity	233
14200531	Hydrogen_Bond_Acceptor_Count	3
98055	Isotope_Atom_Count	0
11455317	Exact_Mass	491.16566255
54704423	Undefined_Atom_Stereo_Count	0
4271	Undefined_Bond_Stereo_Count	1
89643135	Rotatable_Bond_Count	0
13240724	TPSA	9.2
13400	Tautomer_Count	8
88861581	XLogP3-AA	1.2
93279	Defined_Bond_Stereo_Count	0
164685	Isotope_Atom_Count	0
14392758	Isotope_Atom_Count	0
141363	Undefined_Atom_Stereo_Count	0
129829002	Structure_Complexity	212
565600	TPSA	45.8
24873277	XLogP3-AA	3
140850	TPSA	60.7
2122	Non-hydrogen_Atom_Count	22
13044948	Hydrogen_Bond_Donor_Count	1
4205687	Defined_Atom_Stereo_Count	0
53465	Undefined_Atom_Stereo_Count	0
16429	Non-hydrogen_Atom_Count	22
5821911	Defined_Atom_Stereo_Count	0
71459116	Total_Formal_Charge	0
164912	Defined_Atom_Stereo_Count	0
56841897	Covalent_Unit_Count	1
53311393	XLogP3-AA	2.8
131676399	Exact_Mass	378.13146766
129626607	Mono_Isotopic_Weight	231.02697933
6733	Mono_Isotopic_Weight	230.094294304
18530	Hydrogen_Bond_Donor_Count	0
80821	Total_Formal_Charge	0
147983909	TPSA	51
12476693	Covalent_Unit_Count	1
166572	Defined_Bond_Stereo_Count	0
9934033	Mono_Isotopic_Weight	425.20271676
21864432	Hydrogen_Bond_Donor_Count	0
11572	Molecular_Weight	96.17
521928	Molecular_Weight	330.5
5288494	Isotope_Atom_Count	0
430914	Isotope_Atom_Count	0
85025	Mono_Isotopic_Weight	255.0814771
91378988	TPSA	44.7
44451124	Exact_Mass	577.27880059
138593	XLogP3-AA	3
73425380	Exact_Mass	684.01028135
15789248	Covalent_Unit_Count	1
16134395	Covalent_Unit_Count	1
534	Mono_Isotopic_Weight	896.36913171
11235729	Defined_Bond_Stereo_Count	0
137148307	Exact_Mass	231.01574069
57514685	Undefined_Bond_Stereo_Count	0
2342	Non-hydrogen_Atom_Count	29
23692128	Defined_Bond_Stereo_Count	0
104806	Hydrogen_Bond_Acceptor_Count	4
164511668	Mono_Isotopic_Weight	230.02355192
56846509	Hydrogen_Bond_Donor_Count	0
36906	Rotatable_Bond_Count	3
13069	Rotatable_Bond_Count	0
7252	Hydrogen_Bond_Acceptor_Count	2
70698047	Isotope_Atom_Count	0
38875	Mono_Isotopic_Weight	289.922361
1344	XLogP3	0.1
92043261	Defined_Atom_Stereo_Count	0
12284866	Hydrogen_Bond_Acceptor_Count	3
7892	Hydrogen_Bond_Acceptor_Count	0
71387	Defined_Atom_Stereo_Count	7
37183	Non-hydrogen_Atom_Count	3
1775	Non-hydrogen_Atom_Count	19
44126086	Hydrogen_Bond_Donor_Count	2
71478	Molecular_Weight	313.9
29089	Isotope_Atom_Count	0
6436015	Exact_Mass	390.1234015
6439929	XLogP3-AA	3.9
69966912	Defined_Bond_Stereo_Count	0
254	Hydrogen_Bond_Acceptor_Count	2
12111	Isotope_Atom_Count	0
460621	Rotatable_Bond_Count	22
5392139	Isotope_Atom_Count	0
12082259	Total_Formal_Charge	0
6294	Structure_Complexity	218
44349142	Undefined_Bond_Stereo_Count	0
306	Mono_Isotopic_Weight	226.04773803
46224603	Undefined_Bond_Stereo_Count	0
2734040	Mono_Isotopic_Weight	373.895139
1382043	Isotope_Atom_Count	0
8296	Mono_Isotopic_Weight	231.9822866
656954	Rotatable_Bond_Count	2
656954	Hydrogen_Bond_Acceptor_Count	5
15982019	Defined_Bond_Stereo_Count	0
68016611	Covalent_Unit_Count	1
80528	Defined_Bond_Stereo_Count	0
2723719	Non-hydrogen_Atom_Count	47
14344952	Isotope_Atom_Count	0
84072504	Total_Formal_Charge	0
54298868	Defined_Atom_Stereo_Count	0
10510810	Structure_Complexity	66.3
86200	Rotatable_Bond_Count	3
6416	Total_Formal_Charge	0
23464986	Total_Formal_Charge	0
2782	Hydrogen_Bond_Donor_Count	0
7851	Defined_Bond_Stereo_Count	0
22227703	Tautomer_Count	3
141011968	Non-hydrogen_Atom_Count	8
38310	Defined_Bond_Stereo_Count	0
71117	Defined_Atom_Stereo_Count	0
47318	Rotatable_Bond_Count	1
285375	Rotatable_Bond_Count	2
22913135	Defined_Bond_Stereo_Count	0
6918446	Isotope_Atom_Count	0
33038	Structure_Complexity	311
64769	Mono_Isotopic_Weight	368.1350288
38034	Structure_Complexity	207
11098017	Total_Formal_Charge	0
87869859	Covalent_Unit_Count	1
94215	Undefined_Atom_Stereo_Count	1
18087	TPSA	29.1
14494974	Hydrogen_Bond_Acceptor_Count	2
54522	XLogP3	3.1
118371793	Non-hydrogen_Atom_Count	8
28118	Undefined_Atom_Stereo_Count	0
88888	XLogP3	2.8
14668	TPSA	44.7
23552426	TPSA	38.9
104805	Undefined_Bond_Stereo_Count	0
65427	Non-hydrogen_Atom_Count	10
242426	Isotope_Atom_Count	0
18755331	Molecular_Weight	88.11
56619338	Defined_Atom_Stereo_Count	0
86356	Isotope_Atom_Count	0
10736576	Isotope_Atom_Count	0
13262524	TPSA	25.8
357772	Rotatable_Bond_Count	5
16278	Defined_Atom_Stereo_Count	0
7145	Total_Formal_Charge	0
2721	Isotope_Atom_Count	0
33874	Covalent_Unit_Count	1
12951370	Non-hydrogen_Atom_Count	8
4528	Undefined_Atom_Stereo_Count	1
3058751	Rotatable_Bond_Count	5
58618581	Mono_Isotopic_Weight	180.06338810
6539005	Hydrogen_Bond_Acceptor_Count	7
53728	Defined_Bond_Stereo_Count	0
21202	XLogP3-AA	5.3
10237241	Defined_Bond_Stereo_Count	0
94398	Covalent_Unit_Count	1
941651	Exact_Mass	443.17011952
48889	Non-hydrogen_Atom_Count	18
96299	Mono_Isotopic_Weight	238.110613074
44133237	Exact_Mass	386.0968101
129791	Defined_Atom_Stereo_Count	0
7814	Molecular_Weight	108.14
24721276	Undefined_Atom_Stereo_Count	0
50997747	Molecular_Weight	380.4
89268685	Molecular_Weight	114.10
123872156	Undefined_Atom_Stereo_Count	3
63686	Non-hydrogen_Atom_Count	31
3083445	Undefined_Bond_Stereo_Count	0
6917779	Mono_Isotopic_Weight	246.173213330
19809734	Isotope_Atom_Count	0
23571381	Isotope_Atom_Count	0
9848818	Hydrogen_Bond_Donor_Count	4
136710	TPSA	9.2
124009347	Isotope_Atom_Count	0
8366	Tautomer_Count	1
20449	Defined_Bond_Stereo_Count	0
441328	Defined_Atom_Stereo_Count	2
6403	Tautomer_Count	1
193	Isotope_Atom_Count	0
134399	Mono_Isotopic_Weight	129.115364102
3282	Molecular_Weight	165.19
71758314	TPSA	37.3
90487871	Hydrogen_Bond_Donor_Count	1
339213	Undefined_Atom_Stereo_Count	0
66743	Mono_Isotopic_Weight	164.083729621
23654	Covalent_Unit_Count	1
2752445	Hydrogen_Bond_Acceptor_Count	1
5483	TPSA	67.4
123964	Covalent_Unit_Count	1
76771	Mono_Isotopic_Weight	217.97208420
16303	Exact_Mass	163.099714038
57391320	TPSA	78.2
520721	XLogP3-AA	0.3
11274968	Undefined_Bond_Stereo_Count	0
22397445	Non-hydrogen_Atom_Count	34
841	Hydrogen_Bond_Acceptor_Count	5
23079599	Defined_Bond_Stereo_Count	0
12514	Undefined_Bond_Stereo_Count	0
131668620	Undefined_Bond_Stereo_Count	5
143286	Mono_Isotopic_Weight	95.073499291
1149	Non-hydrogen_Atom_Count	48
23663969	Tautomer_Count	152
6328684	Exact_Mass	178.09969078
162743	Undefined_Bond_Stereo_Count	0
1385867	Mono_Isotopic_Weight	102.128274515
85812	Defined_Bond_Stereo_Count	0
11346811	Hydrogen_Bond_Acceptor_Count	7
13330488	Molecular_Weight	84.12
13973648	Undefined_Atom_Stereo_Count	0
14265	Undefined_Atom_Stereo_Count	1
91566861	Total_Formal_Charge	0
57339238	Total_Formal_Charge	0
2770166	Exact_Mass	131.05171847
70696694	Structure_Complexity	605
129881709	Structure_Complexity	203
16015	Rotatable_Bond_Count	2
129696925	Mono_Isotopic_Weight	685.38356257
5360	TPSA	551
22385738	Undefined_Atom_Stereo_Count	0
143494565	Exact_Mass	109.063997236
2675	Hydrogen_Bond_Acceptor_Count	12
5254	Isotope_Atom_Count	0
74066	Total_Formal_Charge	0
630689	Isotope_Atom_Count	0
1985	Non-hydrogen_Atom_Count	15
54427	Defined_Bond_Stereo_Count	0
142434997	Defined_Atom_Stereo_Count	0
18591	Covalent_Unit_Count	1
133108869	Structure_Complexity	133
256411	TPSA	88.6
165971	Total_Formal_Charge	0
154518370	Structure_Complexity	127
3968000	Hydrogen_Bond_Donor_Count	0
525	Molecular_Weight	134.09
8133	Defined_Atom_Stereo_Count	0
23677963	Isotope_Atom_Count	0
62708	Total_Formal_Charge	0
465818	Isotope_Atom_Count	0
153977505	Molecular_Weight	96.09
122173102	Total_Formal_Charge	0
61591	Isotope_Atom_Count	0
644160	Tautomer_Count	5
83053	Non-hydrogen_Atom_Count	15
3447	Isotope_Atom_Count	0
2826718	Defined_Atom_Stereo_Count	14
15558678	Undefined_Bond_Stereo_Count	0
13123887	Total_Formal_Charge	0
12671783	Structure_Complexity	126
21129776	Mono_Isotopic_Weight	110.084398327
577543	Total_Formal_Charge	0
11808	Exact_Mass	257.97524
20660672	Total_Formal_Charge	0
25067547	Undefined_Bond_Stereo_Count	0
7170	Isotope_Atom_Count	0
85805628	Isotope_Atom_Count	0
5577	TPSA	69.3
123362	Defined_Bond_Stereo_Count	0
11957378	Covalent_Unit_Count	1
17434	Covalent_Unit_Count	1
497100	Structure_Complexity	165
28425	Molecular_Weight	249.3
14454747	Non-hydrogen_Atom_Count	7
155970341	Hydrogen_Bond_Donor_Count	3
10087998	Non-hydrogen_Atom_Count	24
2009	Hydrogen_Bond_Acceptor_Count	4
9802	Hydrogen_Bond_Donor_Count	2
46164	Structure_Complexity	457
7160	Defined_Atom_Stereo_Count	0
134735	Hydrogen_Bond_Donor_Count	0
15239355	Mono_Isotopic_Weight	87.032028402
1725	TPSA	75.9
882103	Mono_Isotopic_Weight	287.09577147
7135	Hydrogen_Bond_Donor_Count	1
19751	Hydrogen_Bond_Donor_Count	0
10176108	Covalent_Unit_Count	1
69332506	Rotatable_Bond_Count	0
9870785	Isotope_Atom_Count	0
6604893	Defined_Bond_Stereo_Count	2
66679	Hydrogen_Bond_Donor_Count	0
10001960	Hydrogen_Bond_Donor_Count	1
5541	Defined_Atom_Stereo_Count	0
23274061	Undefined_Bond_Stereo_Count	0
24191	Undefined_Bond_Stereo_Count	1
67104	Undefined_Bond_Stereo_Count	0
3034645	Isotope_Atom_Count	0
12507028	Defined_Bond_Stereo_Count	0
20494989	Defined_Bond_Stereo_Count	0
71541189	Undefined_Bond_Stereo_Count	0
74616	Molecular_Weight	116.12
580328	Covalent_Unit_Count	1
54530170	Hydrogen_Bond_Acceptor_Count	2
5464317	Structure_Complexity	960
20793238	Isotope_Atom_Count	0
12339648	Covalent_Unit_Count	1
99828	Defined_Atom_Stereo_Count	0
135398678	Rotatable_Bond_Count	0
9794842	XLogP3-AA	2.2
15446403	Hydrogen_Bond_Donor_Count	0
19662	Mono_Isotopic_Weight	242.9756919
11338127	Mono_Isotopic_Weight	385.15387487
5388961	TPSA	171
49766037	Covalent_Unit_Count	1
36633	Hydrogen_Bond_Acceptor_Count	5
9898827	Structure_Complexity	144
20729555	Defined_Bond_Stereo_Count	0
133635911	TPSA	240
141689	Exact_Mass	405.72868
867899	Exact_Mass	263.08542390
131238	Total_Formal_Charge	0
69260851	TPSA	53
95455	Covalent_Unit_Count	1
12303662	Hydrogen_Bond_Donor_Count	1
54522	Exact_Mass	320.20999276
90722224	Mono_Isotopic_Weight	112.088815002
3146673	Exact_Mass	249.126597491
3036261	Hydrogen_Bond_Donor_Count	4
123919	Covalent_Unit_Count	2
8201	Undefined_Atom_Stereo_Count	0
16211113	TPSA	71.7
12216463	Defined_Atom_Stereo_Count	0
26310	Mono_Isotopic_Weight	326.0548604
54206132	Total_Formal_Charge	0
68365445	Hydrogen_Bond_Donor_Count	0
54758307	Undefined_Atom_Stereo_Count	1
12845046	Covalent_Unit_Count	1
12504793	XLogP3-AA	1.6
2468	Exact_Mass	157.13274550
6432198	Mono_Isotopic_Weight	222.173213330
129606990	Exact_Mass	915.51914999
67505	Tautomer_Count	1
2829715	Total_Formal_Charge	0
1083	Tautomer_Count	4
91305784	Hydrogen_Bond_Acceptor_Count	1
30295	Defined_Bond_Stereo_Count	0
73951506	Undefined_Bond_Stereo_Count	0
61664	Total_Formal_Charge	0
7728	Non-hydrogen_Atom_Count	9
59350891	XLogP3-AA	1.9
52946123	Undefined_Bond_Stereo_Count	0
12479	TPSA	52.6
12502856	Hydrogen_Bond_Acceptor_Count	1
38286	Covalent_Unit_Count	2
130026523	Molecular_Weight	110.15
9969613	Defined_Atom_Stereo_Count	0
58902739	Hydrogen_Bond_Donor_Count	0
92032367	Defined_Atom_Stereo_Count	0
118705388	Exact_Mass	460.1565488
74802	Non-hydrogen_Atom_Count	11
100957201	Undefined_Atom_Stereo_Count	2
12408	Defined_Bond_Stereo_Count	0
1151	Isotope_Atom_Count	0
12350	Defined_Bond_Stereo_Count	0
9707	Defined_Bond_Stereo_Count	0
5113487	TPSA	50.1
7734	XLogP3-AA	3.5
5351140	Hydrogen_Bond_Acceptor_Count	4
44520830	Hydrogen_Bond_Donor_Count	3
16218742	Covalent_Unit_Count	2
3244	TPSA	204
448051	Undefined_Bond_Stereo_Count	0
43806	Hydrogen_Bond_Donor_Count	2
24849168	Molecular_Weight	316.35
16404350	Structure_Complexity	2330
25037407	Structure_Complexity	638
2734233	Defined_Atom_Stereo_Count	0
595317	Mono_Isotopic_Weight	259.0530695
70715	Hydrogen_Bond_Donor_Count	1
87847445	Structure_Complexity	120
12211639	Structure_Complexity	56.7
118039329	Undefined_Atom_Stereo_Count	4
20209050	Defined_Bond_Stereo_Count	0
413538	Isotope_Atom_Count	0
48918	Undefined_Atom_Stereo_Count	0
485482	Mono_Isotopic_Weight	309.139173551
18497	Total_Formal_Charge	0
18545678	Hydrogen_Bond_Donor_Count	1
563049	Isotope_Atom_Count	0
544591	TPSA	0
71681635	TPSA	72.9
202519	XLogP3	5.4
522731	Undefined_Bond_Stereo_Count	1
618	Undefined_Bond_Stereo_Count	0
5478986	Covalent_Unit_Count	1
481709	Rotatable_Bond_Count	2
192925	Isotope_Atom_Count	0
121877	Total_Formal_Charge	0
49227	Defined_Atom_Stereo_Count	0
3082555	Structure_Complexity	534
866400	Covalent_Unit_Count	1
53704432	Exact_Mass	116.083729621
30771	Defined_Atom_Stereo_Count	0
1667	Hydrogen_Bond_Acceptor_Count	5
20527	Defined_Atom_Stereo_Count	0
13404	Covalent_Unit_Count	1
2256	Isotope_Atom_Count	0
6752	Isotope_Atom_Count	0
132781234	Undefined_Atom_Stereo_Count	0
753050	Exact_Mass	283.06669983
90109	Non-hydrogen_Atom_Count	7
439616	Structure_Complexity	138
1753	Undefined_Atom_Stereo_Count	6
1941	Hydrogen_Bond_Acceptor_Count	8
825229	TPSA	116
12430063	Structure_Complexity	76.1
23080446	Mono_Isotopic_Weight	605.27458459
6585	Mono_Isotopic_Weight	76.016043985
20279764	Structure_Complexity	70.1
20714804	Defined_Bond_Stereo_Count	0
3400	XLogP3	3
72148	Total_Formal_Charge	0
70789197	Defined_Bond_Stereo_Count	0
52948447	Total_Formal_Charge	0
134593	Total_Formal_Charge	0
23679005	Undefined_Bond_Stereo_Count	0
4778	Total_Formal_Charge	0
14707	Structure_Complexity	432
21414	Non-hydrogen_Atom_Count	21
91435	Covalent_Unit_Count	1
44345188	Total_Formal_Charge	0
20662	Mono_Isotopic_Weight	69.021463719
8766	Undefined_Bond_Stereo_Count	0
99025	TPSA	36.7
90895196	Hydrogen_Bond_Donor_Count	5
376375	Undefined_Atom_Stereo_Count	0
79885	Undefined_Bond_Stereo_Count	0
165154846	Mono_Isotopic_Weight	112.052429494
2201	Undefined_Bond_Stereo_Count	0
70610	Rotatable_Bond_Count	5
3047822	Mono_Isotopic_Weight	204.11100700
62430	Total_Formal_Charge	0
5289517	Defined_Bond_Stereo_Count	0
157294	Defined_Atom_Stereo_Count	0
19354670	Undefined_Atom_Stereo_Count	0
6563	Defined_Atom_Stereo_Count	0
66683197	Defined_Bond_Stereo_Count	0
21702741	Hydrogen_Bond_Donor_Count	1
17756783	TPSA	42.5
7402	Undefined_Bond_Stereo_Count	0
10305301	Defined_Atom_Stereo_Count	1
11773	Structure_Complexity	202
44578536	Exact_Mass	318.15929460
62479	Molecular_Weight	390.44
13244862	Total_Formal_Charge	0
144946255	Exact_Mass	112.088815002
11550	TPSA	20.2
91181590	Exact_Mass	303.14705815
49985	Rotatable_Bond_Count	3
497266	Hydrogen_Bond_Acceptor_Count	10
527568	XLogP3-AA	2.5
11263492	XLogP3-AA	2.2
445063	Structure_Complexity	403
19977	Isotope_Atom_Count	0
9939892	Tautomer_Count	4
704262	Defined_Atom_Stereo_Count	0
163409779	Hydrogen_Bond_Acceptor_Count	4
91427979	XLogP3-AA	2.6
118216	Isotope_Atom_Count	0
15804	Undefined_Bond_Stereo_Count	0
9878679	Total_Formal_Charge	0
63346	Defined_Bond_Stereo_Count	0
163518393	Exact_Mass	115.063328530
25159060	Mono_Isotopic_Weight	378.09397478
440707	Molecular_Weight	346.5
54303301	Hydrogen_Bond_Donor_Count	0
20784398	TPSA	9.2
6025	Structure_Complexity	276
208910	Hydrogen_Bond_Donor_Count	0
59119	Defined_Bond_Stereo_Count	0
98943	Exact_Mass	108.057514874
44392148	Structure_Complexity	651
136477	Defined_Atom_Stereo_Count	0
138122	Hydrogen_Bond_Donor_Count	1
49862461	Hydrogen_Bond_Donor_Count	1
107977	Structure_Complexity	110
6957673	Molecular_Weight	404.4
11631662	Total_Formal_Charge	0
217049	Exact_Mass	545.20047090
101297691	Rotatable_Bond_Count	9
22995366	Rotatable_Bond_Count	2
12511868	Hydrogen_Bond_Donor_Count	1
232592	Hydrogen_Bond_Acceptor_Count	3
9577221	Undefined_Atom_Stereo_Count	0
173730	Molecular_Weight	115.05
12388	Covalent_Unit_Count	1
7090	Exact_Mass	162.079312947
13265823	Molecular_Weight	106.12
2520	TPSA	64
5284569	Structure_Complexity	509
19239	TPSA	55.1
21989049	Undefined_Atom_Stereo_Count	0
9952446	Defined_Bond_Stereo_Count	0
7488	Covalent_Unit_Count	1
16158473	Non-hydrogen_Atom_Count	218
26117	Undefined_Bond_Stereo_Count	0
68790	TPSA	30.2
55246	TPSA	87.9
22628836	XLogP3-AA	0.3
820936	Non-hydrogen_Atom_Count	8
11412	Exact_Mass	114.140850574
140554	Exact_Mass	112.088815002
23683938	Exact_Mass	198.01403222
66254	Exact_Mass	192.0015015
52918384	XLogP3-AA	2
10297043	Isotope_Atom_Count	0
428338	Defined_Bond_Stereo_Count	0
11863	TPSA	0
1163242	XLogP3-AA	4.5
3086428	Hydrogen_Bond_Donor_Count	8
448653	Mono_Isotopic_Weight	786.60128067
22641151	Covalent_Unit_Count	1
336423	TPSA	39.2
58137137	Molecular_Weight	363.4
59569908	Undefined_Bond_Stereo_Count	0
31679	Tautomer_Count	1
494	Covalent_Unit_Count	1
134694634	TPSA	135
5459220	Defined_Bond_Stereo_Count	2
14962105	Covalent_Unit_Count	1
147707445	Structure_Complexity	382
139938268	TPSA	52.5
3341	TPSA	72.7
28094582	Isotope_Atom_Count	0
101527072	Rotatable_Bond_Count	0
26975	Covalent_Unit_Count	1
20039	Mono_Isotopic_Weight	235.10692467
9812772	Hydrogen_Bond_Donor_Count	2
11716	Mono_Isotopic_Weight	72.057514874
6099081	Hydrogen_Bond_Donor_Count	0
140147	XLogP3-AA	1.5
6580	Hydrogen_Bond_Acceptor_Count	1
26613	Total_Formal_Charge	0
151193	Mono_Isotopic_Weight	464.1251329
99451	Structure_Complexity	182
441141	Mono_Isotopic_Weight	1447.4301997
7526	Defined_Atom_Stereo_Count	0
78423090	Structure_Complexity	291
543069	Defined_Bond_Stereo_Count	0
5323606	Mono_Isotopic_Weight	96.057514874
5311070	Exact_Mass	267.125928785
80779	Undefined_Atom_Stereo_Count	0
12731	Structure_Complexity	19.9
5486699	Hydrogen_Bond_Donor_Count	10
7238	Structure_Complexity	70.8
16732312	Molecular_Weight	454.9
25054	Defined_Atom_Stereo_Count	0
12097375	Hydrogen_Bond_Acceptor_Count	2
78771	Defined_Bond_Stereo_Count	0
20463	Isotope_Atom_Count	0
200164	Isotope_Atom_Count	0
84002	Hydrogen_Bond_Donor_Count	3
5956	Covalent_Unit_Count	1
280	XLogP3-AA	0.9
45484188	Molecular_Weight	251.71
88800	Total_Formal_Charge	0
549780	TPSA	24.4
68700720	Hydrogen_Bond_Acceptor_Count	3
69657541	Hydrogen_Bond_Donor_Count	0
16726873	Covalent_Unit_Count	2
69280558	Defined_Atom_Stereo_Count	0
5287971	Hydrogen_Bond_Acceptor_Count	8
95070	Covalent_Unit_Count	1
208954	TPSA	78.3
78590	Undefined_Atom_Stereo_Count	0
33134	Hydrogen_Bond_Donor_Count	0
38401	Tautomer_Count	1
26248	Total_Formal_Charge	0
182176	TPSA	72.7
25138203	Molecular_Weight	354.4
656587	Covalent_Unit_Count	2
85979	Hydrogen_Bond_Acceptor_Count	1
11815284	Total_Formal_Charge	0
11693521	Exact_Mass	811.47314329
71106	TPSA	74.6
65923	XLogP3-AA	2.7
449355	Non-hydrogen_Atom_Count	44
4473	Exact_Mass	480.21346069
6808	Structure_Complexity	221
5271566	Exact_Mass	172.07355886
12940701	Tautomer_Count	1
10197668	Defined_Bond_Stereo_Count	0
129636345	Non-hydrogen_Atom_Count	22
715447	Defined_Atom_Stereo_Count	0
12394645	Non-hydrogen_Atom_Count	8
5282198	Exact_Mass	266.224580195
5289590	Tautomer_Count	5
8042	TPSA	26.3
160157	Undefined_Atom_Stereo_Count	0
24096961	Structure_Complexity	457
3392178	Isotope_Atom_Count	0
60652	Structure_Complexity	380
21145806	Total_Formal_Charge	0
436515	Rotatable_Bond_Count	5
7652	Total_Formal_Charge	0
13590	Non-hydrogen_Atom_Count	7
90754	Covalent_Unit_Count	1
3418	Molecular_Weight	218.10
11608786	Hydrogen_Bond_Acceptor_Count	4
20158038	Defined_Bond_Stereo_Count	0
928685	Rotatable_Bond_Count	3
15788366	TPSA	66.2
58221870	Covalent_Unit_Count	1
1235	Non-hydrogen_Atom_Count	19
7510	Total_Formal_Charge	0
83648	Rotatable_Bond_Count	4
6672	Structure_Complexity	143
9860424	Defined_Bond_Stereo_Count	0
15148131	Covalent_Unit_Count	1
79319	Mono_Isotopic_Weight	296.891789
222199	Mono_Isotopic_Weight	200.10485899
134914194	Covalent_Unit_Count	1
54692246	Hydrogen_Bond_Acceptor_Count	5
20333380	Hydrogen_Bond_Acceptor_Count	4
8317	Exact_Mass	456.115029749
7594	Undefined_Bond_Stereo_Count	0
78493	Hydrogen_Bond_Acceptor_Count	1
347402	Hydrogen_Bond_Donor_Count	1
129851390	XLogP3-AA	1.4
5318591	Molecular_Weight	418.4
850501	Non-hydrogen_Atom_Count	25
9877	Covalent_Unit_Count	1
122	Isotope_Atom_Count	0
5460183	Mono_Isotopic_Weight	1328.564325
61661	Defined_Bond_Stereo_Count	0
86646597	Undefined_Bond_Stereo_Count	0
55993	Total_Formal_Charge	0
448812	Non-hydrogen_Atom_Count	57
45934213	Hydrogen_Bond_Acceptor_Count	16
93847	Structure_Complexity	264
62816	Rotatable_Bond_Count	11
11206059	Hydrogen_Bond_Donor_Count	1
15914	Rotatable_Bond_Count	1
10621	Hydrogen_Bond_Donor_Count	8
637564	Hydrogen_Bond_Acceptor_Count	1
679777	Non-hydrogen_Atom_Count	22
65028	Undefined_Bond_Stereo_Count	0
22860	Tautomer_Count	1
11137101	Exact_Mass	99.068413911
4144353	Defined_Atom_Stereo_Count	0
19176	Exact_Mass	205.019183
258383	Exact_Mass	95.073499291
319344	Isotope_Atom_Count	0
129897177	Mono_Isotopic_Weight	1065.53558789
10785752	Mono_Isotopic_Weight	376.15354051
16683091	Exact_Mass	767.69088
58881	Non-hydrogen_Atom_Count	23
535717	Non-hydrogen_Atom_Count	7
88771736	Undefined_Atom_Stereo_Count	0
123966192	Isotope_Atom_Count	0
11655595	XLogP3	0
3420996	Undefined_Bond_Stereo_Count	0
3002003	Isotope_Atom_Count	0
129858308	Mono_Isotopic_Weight	270.07529019
67619	Defined_Bond_Stereo_Count	0
53846425	Hydrogen_Bond_Acceptor_Count	3
87505	Isotope_Atom_Count	0
219101	Covalent_Unit_Count	1
43457	Structure_Complexity	333
94543	Mono_Isotopic_Weight	250.193280068
66540	Isotope_Atom_Count	0
44258737	Defined_Bond_Stereo_Count	0
90997437	Rotatable_Bond_Count	6
159755	Hydrogen_Bond_Donor_Count	1
54675842	Defined_Atom_Stereo_Count	0
9989218	Hydrogen_Bond_Acceptor_Count	0
23783	TPSA	9.2
46943432	Isotope_Atom_Count	0
12736014	Isotope_Atom_Count	0
117683867	Rotatable_Bond_Count	6
69146	Covalent_Unit_Count	1
128919	Tautomer_Count	5
40185	Undefined_Bond_Stereo_Count	0
274085	Undefined_Atom_Stereo_Count	6
90996709	Isotope_Atom_Count	0
126290	Molecular_Weight	510.7
9855454	Covalent_Unit_Count	1
51253	Isotope_Atom_Count	0
156619056	Rotatable_Bond_Count	4
131430882	Covalent_Unit_Count	1
10435654	Non-hydrogen_Atom_Count	32
53914733	XLogP3-AA	0.6
9950891	Rotatable_Bond_Count	1
10850	Covalent_Unit_Count	1
10582552	Isotope_Atom_Count	0
393405	Undefined_Bond_Stereo_Count	0
8395	Exact_Mass	324.09977361
564751	Isotope_Atom_Count	0
11948	Undefined_Bond_Stereo_Count	0
26955	Structure_Complexity	292
69332601	Isotope_Atom_Count	0
118658477	Mono_Isotopic_Weight	111.068413911
11672659	Molecular_Weight	98.14
76048	Isotope_Atom_Count	0
16158473	Isotope_Atom_Count	0
5282379	XLogP3	6.3
19782027	Defined_Bond_Stereo_Count	0
12336279	TPSA	15.6
15383909	Hydrogen_Bond_Acceptor_Count	25
27236	Defined_Bond_Stereo_Count	0
644131	Mono_Isotopic_Weight	779.43300981
57887	Non-hydrogen_Atom_Count	27
1470	Undefined_Bond_Stereo_Count	0
51380890	Hydrogen_Bond_Donor_Count	1
94259	Hydrogen_Bond_Acceptor_Count	2
16102856	Mono_Isotopic_Weight	508.17804118
516919	Rotatable_Bond_Count	0
13620760	Covalent_Unit_Count	1
6328174	Hydrogen_Bond_Donor_Count	3
4570	Non-hydrogen_Atom_Count	24
13349549	Mono_Isotopic_Weight	108.093900383
409747	Structure_Complexity	61.2
6533	Rotatable_Bond_Count	8
9926842	Defined_Bond_Stereo_Count	0
1976	Structure_Complexity	968
28852	Hydrogen_Bond_Acceptor_Count	7
890718	Total_Formal_Charge	0
8138	Total_Formal_Charge	0
13184	Structure_Complexity	52.9
53235510	Undefined_Bond_Stereo_Count	0
57345768	Molecular_Weight	665.7
9286	Molecular_Weight	195.24
89356917	Covalent_Unit_Count	1
3420996	XLogP3-AA	3.9
295764	Defined_Bond_Stereo_Count	0
17921988	Exact_Mass	114.031694049
6918686	Undefined_Atom_Stereo_Count	0
11476710	Tautomer_Count	2
4009	Structure_Complexity	783
9777579	Non-hydrogen_Atom_Count	30
12275548	Isotope_Atom_Count	0
31227	Structure_Complexity	114
23665765	Structure_Complexity	256
145744	Molecular_Weight	86.09
17754111	Structure_Complexity	225
26154	Mono_Isotopic_Weight	351.1753775
123871	Tautomer_Count	9
71601	Hydrogen_Bond_Donor_Count	0
254320	Hydrogen_Bond_Donor_Count	2
21668201	Hydrogen_Bond_Donor_Count	2
18208	Non-hydrogen_Atom_Count	8
186114	Non-hydrogen_Atom_Count	6
57164232	Structure_Complexity	157
23702994	Structure_Complexity	1340
297691	Covalent_Unit_Count	1
10214380	Exact_Mass	109.052763847
11992	Undefined_Atom_Stereo_Count	0
63397	Undefined_Bond_Stereo_Count	0
5352539	Isotope_Atom_Count	0
76922	Isotope_Atom_Count	0
76189844	Mono_Isotopic_Weight	412.16814520
87280864	Isotope_Atom_Count	0
60209141	Hydrogen_Bond_Donor_Count	4
2817255	Non-hydrogen_Atom_Count	22
413528	Defined_Atom_Stereo_Count	0
136382971	Defined_Atom_Stereo_Count	0
2906	Non-hydrogen_Atom_Count	6
54230	Covalent_Unit_Count	1
6108	Hydrogen_Bond_Donor_Count	1
94152	Undefined_Atom_Stereo_Count	1
77998	Defined_Bond_Stereo_Count	0
95187	Rotatable_Bond_Count	0
70681777	Total_Formal_Charge	0
11363176	Molecular_Weight	461.0
240534	Rotatable_Bond_Count	4
53967	Undefined_Bond_Stereo_Count	0
56746	Non-hydrogen_Atom_Count	25
5561	Defined_Bond_Stereo_Count	0
67542	Hydrogen_Bond_Acceptor_Count	13
312816	Undefined_Atom_Stereo_Count	6
132549482	XLogP3-AA	9
139054114	Total_Formal_Charge	0
63274	Covalent_Unit_Count	1
12132667	Molecular_Weight	96.13
565593	Undefined_Atom_Stereo_Count	0
3862645	Rotatable_Bond_Count	6
53211	Structure_Complexity	449
133556498	Defined_Atom_Stereo_Count	11
9862936	Undefined_Bond_Stereo_Count	0
71453559	Hydrogen_Bond_Acceptor_Count	5
129633772	Exact_Mass	342.11621151
15122661	Isotope_Atom_Count	0
382	Isotope_Atom_Count	0
31842	Rotatable_Bond_Count	5
18681973	TPSA	61.4
20931	Hydrogen_Bond_Donor_Count	1
12754185	Mono_Isotopic_Weight	111.104799419
6440938	Hydrogen_Bond_Donor_Count	1
17174	Rotatable_Bond_Count	0
22178808	Rotatable_Bond_Count	44
542317	Molecular_Weight	132.16
12933282	Undefined_Atom_Stereo_Count	0
15512	Isotope_Atom_Count	0
52941462	Hydrogen_Bond_Donor_Count	1
70075	Tautomer_Count	2
817122	Undefined_Bond_Stereo_Count	0
57095141	TPSA	21.3
71306720	Isotope_Atom_Count	0
13516401	Defined_Atom_Stereo_Count	0
73216	Total_Formal_Charge	0
44329367	Non-hydrogen_Atom_Count	30
705561	Undefined_Atom_Stereo_Count	0
33014	Mono_Isotopic_Weight	311.17077098
530422	Exact_Mass	136.125200510
82111162	Mono_Isotopic_Weight	115.099714038
9740	Defined_Bond_Stereo_Count	0
172296	Total_Formal_Charge	0
102503760	TPSA	231
6321414	Rotatable_Bond_Count	13
15129466	Defined_Atom_Stereo_Count	0
5314562	TPSA	26.3
6436125	Undefined_Bond_Stereo_Count	0
20473149	Defined_Bond_Stereo_Count	0
5283454	Molecular_Weight	325.5
7296	Defined_Bond_Stereo_Count	0
80428	Undefined_Atom_Stereo_Count	0
22013662	Isotope_Atom_Count	0
24737	Non-hydrogen_Atom_Count	25
121207426	Structure_Complexity	165
153380590	Hydrogen_Bond_Donor_Count	0
135980	Exact_Mass	110.109550447
1218	Non-hydrogen_Atom_Count	20
30667	Total_Formal_Charge	0
1886	Undefined_Bond_Stereo_Count	0
5376	Non-hydrogen_Atom_Count	28
192843	Tautomer_Count	3
8351	TPSA	3.2
643588	Tautomer_Count	1
3225	Defined_Atom_Stereo_Count	0
4205685	Undefined_Bond_Stereo_Count	0
8304	Mono_Isotopic_Weight	208.12283153
40468	Defined_Atom_Stereo_Count	0
21778241	Undefined_Atom_Stereo_Count	0
165986150	Molecular_Weight	111.14
15593306	XLogP3-AA	0.1
970440	Undefined_Bond_Stereo_Count	0
23662871	Exact_Mass	492.01742078
53249491	Molecular_Weight	185.2
5246420	Non-hydrogen_Atom_Count	17
101943115	Hydrogen_Bond_Donor_Count	0
130145308	Rotatable_Bond_Count	2
75674	Molecular_Weight	272.22
20774105	Structure_Complexity	122
8264	Exact_Mass	154.06712817
31278	Undefined_Atom_Stereo_Count	0
57119345	TPSA	21.3
24831714	Covalent_Unit_Count	1
165746	Undefined_Bond_Stereo_Count	0
448165	Exact_Mass	342.11621151
51941	Rotatable_Bond_Count	2
136349603	Hydrogen_Bond_Acceptor_Count	2
8862	Structure_Complexity	66.9
71335300	Molecular_Weight	110.15
366729	Exact_Mass	264.06701114
15456	Non-hydrogen_Atom_Count	18
84878	Total_Formal_Charge	1
221050	Mono_Isotopic_Weight	102.068079557
75987092	XLogP3-AA	2.3
26314	Mono_Isotopic_Weight	900.21723713
45085067	XLogP3-AA	0
39884	Defined_Bond_Stereo_Count	0
5396	Molecular_Weight	656.7
351917	Hydrogen_Bond_Donor_Count	1
17561	Non-hydrogen_Atom_Count	19
114811	Undefined_Atom_Stereo_Count	0
153	Defined_Bond_Stereo_Count	0
542383	Covalent_Unit_Count	1
147165509	TPSA	0
162681	TPSA	99.1
11763533	Non-hydrogen_Atom_Count	37
140719461	Rotatable_Bond_Count	0
3345	Structure_Complexity	391
15179723	Mono_Isotopic_Weight	102.079312947
129815925	Hydrogen_Bond_Acceptor_Count	2
11197171	Total_Formal_Charge	0
3586	Undefined_Atom_Stereo_Count	3
6514	TPSA	38.3
61151	Defined_Bond_Stereo_Count	0
40701	TPSA	9.2
11389	TPSA	25.8
86083878	TPSA	0
54583833	TPSA	34.2
35378	Defined_Bond_Stereo_Count	0
22129001	Covalent_Unit_Count	1
81346	Defined_Atom_Stereo_Count	0
78423090	Defined_Bond_Stereo_Count	0
3214	TPSA	712
16741878	Exact_Mass	603.32839138
4558	Defined_Atom_Stereo_Count	0
5713	XLogP3-AA	5.2
72323	Mono_Isotopic_Weight	338.13923312
24181458	Undefined_Bond_Stereo_Count	0
134694951	Covalent_Unit_Count	2
11542775	Structure_Complexity	63.5
439507	Total_Formal_Charge	0
606430	Non-hydrogen_Atom_Count	15
60196405	Exact_Mass	492.074981
24916941	Undefined_Atom_Stereo_Count	0
31954	Non-hydrogen_Atom_Count	14
413535	Covalent_Unit_Count	1
46212	Structure_Complexity	523
194519	Exact_Mass	304.02175079
4284720	Rotatable_Bond_Count	5
66071	Mono_Isotopic_Weight	88.100048391
11402147	TPSA	26
128626	Defined_Atom_Stereo_Count	0
6190	Defined_Atom_Stereo_Count	5
31011	Rotatable_Bond_Count	3
24802075	Non-hydrogen_Atom_Count	29
8109	Mono_Isotopic_Weight	104.083729621
54178371	Non-hydrogen_Atom_Count	7
3743706	Exact_Mass	127.06088375
107994	Structure_Complexity	619
2453568	Isotope_Atom_Count	0
13618	Mono_Isotopic_Weight	195.924948
520381	Hydrogen_Bond_Donor_Count	0
11127402	Non-hydrogen_Atom_Count	15
68026923	Non-hydrogen_Atom_Count	7
1061	Tautomer_Count	1
656999	Defined_Bond_Stereo_Count	1
3262020	Mono_Isotopic_Weight	135.01159025
7957	Undefined_Atom_Stereo_Count	0
8011	Undefined_Atom_Stereo_Count	0
180288	Exact_Mass	724.3998305
104902	Undefined_Atom_Stereo_Count	0
9999	Undefined_Bond_Stereo_Count	0
57399796	Defined_Atom_Stereo_Count	0
25110841	Isotope_Atom_Count	0
13804280	Isotope_Atom_Count	0
101602	TPSA	20.2
68705	Total_Formal_Charge	0
6538	Non-hydrogen_Atom_Count	20
443131	XLogP3	3.3
3533588	Hydrogen_Bond_Donor_Count	2
905454	Isotope_Atom_Count	0
16083167	Undefined_Bond_Stereo_Count	0
146157455	Rotatable_Bond_Count	3
15430	Covalent_Unit_Count	1
12309465	Exact_Mass	405.813931
92108	Rotatable_Bond_Count	0
11717025	Structure_Complexity	451
23552387	Undefined_Atom_Stereo_Count	0
117295	Defined_Atom_Stereo_Count	0
5281521	Total_Formal_Charge	0
25724	XLogP3-AA	1.2
12200	Molecular_Weight	182.09
132	Defined_Bond_Stereo_Count	0
10459649	Hydrogen_Bond_Donor_Count	2
20617585	TPSA	40.9
10419137	Hydrogen_Bond_Donor_Count	1
6204	Hydrogen_Bond_Donor_Count	0
4141522	Exact_Mass	169.065339906
33751	Total_Formal_Charge	0
40894	Isotope_Atom_Count	0
53318409	Defined_Atom_Stereo_Count	0
2706	Exact_Mass	526.27913494
8854	Undefined_Atom_Stereo_Count	0
753050	XLogP3-AA	3.9
6917663	Rotatable_Bond_Count	3
10329124	Hydrogen_Bond_Donor_Count	12
71645	Exact_Mass	242.094294304
124635203	Isotope_Atom_Count	0
7351	Structure_Complexity	106
88668	Hydrogen_Bond_Donor_Count	1
49798415	Covalent_Unit_Count	1
44126086	Molecular_Weight	339.4
4788452	Covalent_Unit_Count	1
21365956	Mono_Isotopic_Weight	281.12766012
44548149	TPSA	116
65681	Hydrogen_Bond_Acceptor_Count	3
44590402	Structure_Complexity	543
117807974	Defined_Atom_Stereo_Count	0
135019886	Hydrogen_Bond_Donor_Count	8
7379	Mono_Isotopic_Weight	164.120115130
382	Structure_Complexity	1540
98181812	Rotatable_Bond_Count	0
94297	Defined_Bond_Stereo_Count	0
23424086	Hydrogen_Bond_Acceptor_Count	6
10096344	Isotope_Atom_Count	0
139062526	Structure_Complexity	376
10170	Molecular_Weight	608.7
55286536	Mono_Isotopic_Weight	113.058911855
10017965	TPSA	62.3
29647	Undefined_Bond_Stereo_Count	0
10756746	Rotatable_Bond_Count	0
11511	Hydrogen_Bond_Donor_Count	0
764764	Hydrogen_Bond_Donor_Count	3
3040551	Exact_Mass	323.1288213
15998	Hydrogen_Bond_Acceptor_Count	3
126627233	Structure_Complexity	62.5
123609380	Defined_Atom_Stereo_Count	0
160944	Total_Formal_Charge	0
145945090	TPSA	467
124886	Mono_Isotopic_Weight	307.08380644
97597	Structure_Complexity	585
6537213	Structure_Complexity	548
5365552	Hydrogen_Bond_Acceptor_Count	0
57483528	Undefined_Atom_Stereo_Count	3
179336	Hydrogen_Bond_Acceptor_Count	5
52949394	Undefined_Bond_Stereo_Count	0
99010	Total_Formal_Charge	0
628999	Hydrogen_Bond_Acceptor_Count	4
16606	XLogP3-AA	2
58265608	Covalent_Unit_Count	1
97536	Defined_Atom_Stereo_Count	2
144512943	Structure_Complexity	97.9
102503760	Undefined_Bond_Stereo_Count	0
6751	Isotope_Atom_Count	0
16065391	XLogP3-AA	5
70678590	Mono_Isotopic_Weight	1354.567399
90931499	Hydrogen_Bond_Donor_Count	0
2361	Non-hydrogen_Atom_Count	21
1721	Covalent_Unit_Count	1
5293	Structure_Complexity	858
439182	Total_Formal_Charge	0
5288615	Structure_Complexity	666
199229	Non-hydrogen_Atom_Count	18
4254180	TPSA	18.1
13285535	Mono_Isotopic_Weight	226.074227566
81831	Defined_Bond_Stereo_Count	0
126997316	Molecular_Weight	114.14
3476986	Defined_Atom_Stereo_Count	0
566830	Structure_Complexity	57.7
174251	Non-hydrogen_Atom_Count	49
165717	Total_Formal_Charge	0
6957644	Hydrogen_Bond_Acceptor_Count	6
135977933	Undefined_Bond_Stereo_Count	0
3533	Hydrogen_Bond_Acceptor_Count	5
54324318	TPSA	43.6
57469	TPSA	56.7
12741658	Total_Formal_Charge	0
10094212	Defined_Atom_Stereo_Count	1
62525	Molecular_Weight	431.10
68044	Total_Formal_Charge	0
6435378	Defined_Bond_Stereo_Count	2
10567	Undefined_Bond_Stereo_Count	0
9554198	Tautomer_Count	2
12374	Mono_Isotopic_Weight	118.099379685
60196259	Non-hydrogen_Atom_Count	35
84871	TPSA	72.7
51371732	Covalent_Unit_Count	1
60363	Total_Formal_Charge	0
15516956	Total_Formal_Charge	0
56680337	Hydrogen_Bond_Acceptor_Count	8
25058197	Exact_Mass	223.1127773
81837	Undefined_Atom_Stereo_Count	0
56842037	Undefined_Atom_Stereo_Count	0
59177	Isotope_Atom_Count	0
6440178	Covalent_Unit_Count	1
4593	Defined_Bond_Stereo_Count	0
98148767	Total_Formal_Charge	0
102069	Defined_Bond_Stereo_Count	0
58208	Defined_Atom_Stereo_Count	0
559645	Non-hydrogen_Atom_Count	8
60974	Non-hydrogen_Atom_Count	42
5281082	Structure_Complexity	659
447339	Exact_Mass	369.08303586
117926	Total_Formal_Charge	0
66575069	Non-hydrogen_Atom_Count	73
9930121	Defined_Bond_Stereo_Count	0
4113	Hydrogen_Bond_Acceptor_Count	2
5353635	Mono_Isotopic_Weight	324.10698424
9942127	Rotatable_Bond_Count	0
306131	TPSA	63.3
91298692	Defined_Bond_Stereo_Count	0
442993	Defined_Bond_Stereo_Count	0
3037	Hydrogen_Bond_Acceptor_Count	2
100957861	Structure_Complexity	102
54175	Defined_Bond_Stereo_Count	0
5362456	Total_Formal_Charge	0
65489	Covalent_Unit_Count	1
92666	Defined_Atom_Stereo_Count	0
72732	Covalent_Unit_Count	1
62479	Total_Formal_Charge	0
18329130	Isotope_Atom_Count	0
525128	Defined_Atom_Stereo_Count	0
106228050	Non-hydrogen_Atom_Count	8
70807	Structure_Complexity	227
12295187	Non-hydrogen_Atom_Count	6
23663976	Tautomer_Count	1
69892	Hydrogen_Bond_Acceptor_Count	1
15178986	Molecular_Weight	109.13
44339779	Total_Formal_Charge	0
5284613	Undefined_Bond_Stereo_Count	0
361610	TPSA	102
44565798	Non-hydrogen_Atom_Count	23
296732	Non-hydrogen_Atom_Count	17
13032	Structure_Complexity	82.7
71312117	Molecular_Weight	393.5
35763	Isotope_Atom_Count	0
134070	XLogP3-AA	5.1
854749	Exact_Mass	248.094963011
86607	TPSA	46.5
444031	Defined_Atom_Stereo_Count	1
141780888	Covalent_Unit_Count	1
2106900	Molecular_Weight	111.14
675085	Molecular_Weight	265.69
71969	Defined_Bond_Stereo_Count	0
90066559	Exact_Mass	100.100048391
6247	Tautomer_Count	1
60192	Hydrogen_Bond_Acceptor_Count	4
11783	Covalent_Unit_Count	1
5328940	Isotope_Atom_Count	0
4224798	Non-hydrogen_Atom_Count	10
72725	Molecular_Weight	212.20
23681909	Covalent_Unit_Count	2
48640	Covalent_Unit_Count	3
12358742	Undefined_Atom_Stereo_Count	1
11567707	Covalent_Unit_Count	1
6918606	Hydrogen_Bond_Acceptor_Count	13
8998	Mono_Isotopic_Weight	122.05790880
631837	Undefined_Bond_Stereo_Count	0
9940312	Molecular_Weight	747.74
10287037	Undefined_Atom_Stereo_Count	0
533994	Isotope_Atom_Count	0
31368	Exact_Mass	67.042199164
8176	Non-hydrogen_Atom_Count	11
205	Defined_Atom_Stereo_Count	0
12248306	Hydrogen_Bond_Acceptor_Count	1
4451502	Rotatable_Bond_Count	2
21513403	Total_Formal_Charge	0
2813	Undefined_Bond_Stereo_Count	0
92668	Undefined_Atom_Stereo_Count	0
445318	Non-hydrogen_Atom_Count	20
69149458	Undefined_Bond_Stereo_Count	0
3085416	TPSA	170
16131097	Structure_Complexity	4520
95010	Non-hydrogen_Atom_Count	12
56991659	Non-hydrogen_Atom_Count	8
78126908	Mono_Isotopic_Weight	472.31887450
49771529	Molecular_Weight	131.06
12648201	Covalent_Unit_Count	1
14366068	Isotope_Atom_Count	0
123982	Hydrogen_Bond_Acceptor_Count	5
140066	Isotope_Atom_Count	0
130114929	Structure_Complexity	83.4
136576216	TPSA	26
28315	Defined_Bond_Stereo_Count	0
201453	Non-hydrogen_Atom_Count	11
13671	TPSA	78.5
88239551	Total_Formal_Charge	0
57156265	Hydrogen_Bond_Donor_Count	0
76198	Total_Formal_Charge	0
44814409	XLogP3-AA	3.9
138986956	Undefined_Atom_Stereo_Count	0
174048	TPSA	93.1
541675	Undefined_Bond_Stereo_Count	0
362413	Defined_Atom_Stereo_Count	1
5359353	TPSA	49.8
86646597	Mono_Isotopic_Weight	281.05442107
11603089	Hydrogen_Bond_Acceptor_Count	2
23670774	Undefined_Bond_Stereo_Count	0
6324663	Defined_Atom_Stereo_Count	7
13316167	Non-hydrogen_Atom_Count	11
13612132	Defined_Bond_Stereo_Count	0
5356697	Hydrogen_Bond_Acceptor_Count	1
19082030	Defined_Atom_Stereo_Count	0
10285778	Exact_Mass	99.068413911
94232	Defined_Atom_Stereo_Count	0
2758223	Rotatable_Bond_Count	0
56283	Molecular_Weight	269.21
32503	XLogP3-AA	3.3
9912771	Defined_Bond_Stereo_Count	0
142882	Undefined_Atom_Stereo_Count	0
85864806	Exact_Mass	110.073164938
13900354	Hydrogen_Bond_Acceptor_Count	1
1056	Undefined_Atom_Stereo_Count	0
13267937	Non-hydrogen_Atom_Count	30
12271341	TPSA	12.5
60569	Non-hydrogen_Atom_Count	18
667449	XLogP3	2.9
69170	Non-hydrogen_Atom_Count	16
5280981	Covalent_Unit_Count	1
6440013	Non-hydrogen_Atom_Count	59
123790252	Undefined_Bond_Stereo_Count	0
92374	Undefined_Atom_Stereo_Count	0
70689830	TPSA	121
31331	Tautomer_Count	1
82190	Tautomer_Count	1
69079	Total_Formal_Charge	0
12428017	Undefined_Bond_Stereo_Count	0
15940196	Exact_Mass	494.26683367
18178	Hydrogen_Bond_Acceptor_Count	0
3045407	Undefined_Bond_Stereo_Count	0
11016	Undefined_Atom_Stereo_Count	0
64148	Mono_Isotopic_Weight	239.99869710
11541153	Defined_Bond_Stereo_Count	0
54228006	Undefined_Atom_Stereo_Count	0
10662	TPSA	74.6
123208701	Rotatable_Bond_Count	1
712421	Structure_Complexity	153
83669186	Defined_Bond_Stereo_Count	0
193390	Non-hydrogen_Atom_Count	12
87935769	Covalent_Unit_Count	1
31266	Hydrogen_Bond_Donor_Count	0
1235	Total_Formal_Charge	0
11664966	Defined_Bond_Stereo_Count	2
78607	Total_Formal_Charge	0
142403638	Covalent_Unit_Count	1
130608322	Defined_Bond_Stereo_Count	0
358	Total_Formal_Charge	0
54610537	Isotope_Atom_Count	0
236666	Isotope_Atom_Count	0
20592404	Hydrogen_Bond_Acceptor_Count	2
71305034	Hydrogen_Bond_Donor_Count	2
57298123	Undefined_Atom_Stereo_Count	0
6436541	TPSA	35.9
5492898	Undefined_Bond_Stereo_Count	0
9499	Structure_Complexity	360
13438	XLogP3	5.3
57461868	Mono_Isotopic_Weight	107.048347172
8396	Undefined_Atom_Stereo_Count	0
613589	Structure_Complexity	378
3015262	Tautomer_Count	1
18725552	Molecular_Weight	102.14
99132	Undefined_Bond_Stereo_Count	0
6604816	Rotatable_Bond_Count	15
5353584	XLogP3-AA	7.7
53477714	Defined_Bond_Stereo_Count	0
5359	Undefined_Bond_Stereo_Count	0
556035	Covalent_Unit_Count	1
7569	Tautomer_Count	1
62406	Undefined_Bond_Stereo_Count	0
44207128	Mono_Isotopic_Weight	364.25642936
6433586	Hydrogen_Bond_Acceptor_Count	20
33094	Exact_Mass	150.068079557
81006	Defined_Bond_Stereo_Count	0
343119	Hydrogen_Bond_Acceptor_Count	1
30530	Mono_Isotopic_Weight	339.1502254
18868	Hydrogen_Bond_Acceptor_Count	2
12545984	Structure_Complexity	31.3
441071	Tautomer_Count	2
19259	Undefined_Atom_Stereo_Count	0
10534631	Non-hydrogen_Atom_Count	8
16131923	Undefined_Bond_Stereo_Count	0
650572	Defined_Bond_Stereo_Count	0
88707373	Exact_Mass	105.078978594
15213029	Undefined_Bond_Stereo_Count	0
25055	Structure_Complexity	45.8
43312181	Rotatable_Bond_Count	2
12229743	Total_Formal_Charge	0
16220118	Molecular_Weight	313.71
23622607	Mono_Isotopic_Weight	503.22611357
2837669	TPSA	38.3
5477635	Tautomer_Count	3
67056782	Hydrogen_Bond_Donor_Count	0
136733	Covalent_Unit_Count	1
134692352	Isotope_Atom_Count	0
12245594	Undefined_Bond_Stereo_Count	0
12431621	Structure_Complexity	55
5280881	TPSA	74.6
851033	Undefined_Atom_Stereo_Count	0
91537	Covalent_Unit_Count	1
67259543	Mono_Isotopic_Weight	109.016378338
54707177	Structure_Complexity	1230
35075	Isotope_Atom_Count	0
25002426	Total_Formal_Charge	0
81059	Hydrogen_Bond_Donor_Count	4
10478	Undefined_Bond_Stereo_Count	0
12695795	Structure_Complexity	59.2
578	Undefined_Atom_Stereo_Count	9
9933197	Exact_Mass	445.08069295
4479	Exact_Mass	748.17446246
58513815	Exact_Mass	98.084398327
93504	Hydrogen_Bond_Acceptor_Count	4
123861	Mono_Isotopic_Weight	365.10747897
6327109	Undefined_Atom_Stereo_Count	0
37563	Isotope_Atom_Count	0
638132	Undefined_Atom_Stereo_Count	0
16	Hydrogen_Bond_Donor_Count	2
54689800	XLogP3	1.8
4138	Defined_Atom_Stereo_Count	0
2724896	Defined_Bond_Stereo_Count	0
5362376	Isotope_Atom_Count	0
11592	Total_Formal_Charge	0
92093	Undefined_Atom_Stereo_Count	0
17028077	Hydrogen_Bond_Acceptor_Count	3
3033825	Rotatable_Bond_Count	3
3180466	Exact_Mass	468.21614077
16666	Structure_Complexity	120
78521	Undefined_Bond_Stereo_Count	0
61918	Defined_Atom_Stereo_Count	0
12270516	Mono_Isotopic_Weight	116.083729621
4978638	Mono_Isotopic_Weight	280.1832026
76040	Hydrogen_Bond_Acceptor_Count	12
17820198	Defined_Bond_Stereo_Count	0
65726	Total_Formal_Charge	0
42796	Undefined_Bond_Stereo_Count	0
139243814	Defined_Atom_Stereo_Count	0
9956726	Structure_Complexity	690
848667	Isotope_Atom_Count	0
25171607	Undefined_Atom_Stereo_Count	0
39214	Non-hydrogen_Atom_Count	18
12363	Undefined_Bond_Stereo_Count	0
2452	Defined_Atom_Stereo_Count	0
295864	Total_Formal_Charge	0
124328800	Non-hydrogen_Atom_Count	36
189821	Molecular_Weight	441.5
5593	Exact_Mass	284.152477885
71517869	Isotope_Atom_Count	0
83478502	Hydrogen_Bond_Acceptor_Count	3
88707373	Total_Formal_Charge	0
160368576	Exact_Mass	114.02900871
87474167	Hydrogen_Bond_Donor_Count	1
11517146	Structure_Complexity	568
23665583	Exact_Mass	305.95037
3658	Undefined_Atom_Stereo_Count	1
9387	Hydrogen_Bond_Acceptor_Count	18
136420	Mono_Isotopic_Weight	312.09977361
7266	Total_Formal_Charge	0
11596881	Isotope_Atom_Count	0
3033538	Undefined_Bond_Stereo_Count	0
19422150	Hydrogen_Bond_Donor_Count	2
256737	TPSA	60.7
2734161	Isotope_Atom_Count	0
6441283	Structure_Complexity	1410
1204288	Undefined_Atom_Stereo_Count	0
94179	Tautomer_Count	1
23278143	XLogP3	3.7
10809678	Isotope_Atom_Count	0
498142	Hydrogen_Bond_Donor_Count	4
10313077	Non-hydrogen_Atom_Count	7
5710148	Total_Formal_Charge	0
417575	Undefined_Atom_Stereo_Count	0
53734710	Hydrogen_Bond_Acceptor_Count	2
90905460	XLogP3-AA	0.8
11848	XLogP3-AA	0.4
6478	Molecular_Weight	272.8
71821	Structure_Complexity	276
21930924	Mono_Isotopic_Weight	370.02294
6209	Total_Formal_Charge	0
6186	Hydrogen_Bond_Donor_Count	1
95890	Hydrogen_Bond_Donor_Count	0
10231705	Exact_Mass	536.23180809
2734233	TPSA	8.8
10476254	TPSA	137
439242	Tautomer_Count	1
2730	Defined_Bond_Stereo_Count	0
24412	Hydrogen_Bond_Donor_Count	0
129866077	TPSA	286
200103	Defined_Atom_Stereo_Count	0
103609	Molecular_Weight	167.25
9892071	Covalent_Unit_Count	1
13346	Tautomer_Count	1
177236	Defined_Atom_Stereo_Count	1
33479	Covalent_Unit_Count	1
124040753	Undefined_Atom_Stereo_Count	4
45358014	Undefined_Atom_Stereo_Count	1
9418	Covalent_Unit_Count	2
71302984	Defined_Atom_Stereo_Count	0
12417	Isotope_Atom_Count	0
56296	Total_Formal_Charge	0
143321	Rotatable_Bond_Count	0
7441	Hydrogen_Bond_Acceptor_Count	3
5288798	Molecular_Weight	147.15
42627755	Mono_Isotopic_Weight	332.14979254
69336	Non-hydrogen_Atom_Count	7
564996	Mono_Isotopic_Weight	270.02554
517296	Molecular_Weight	960.8
24838350	Molecular_Weight	1058.1
136228204	Hydrogen_Bond_Donor_Count	1
91027156	Covalent_Unit_Count	1
5749	Rotatable_Bond_Count	9
23418	Undefined_Bond_Stereo_Count	0
39764	Isotope_Atom_Count	0
12443800	Molecular_Weight	113.12
24825265	Rotatable_Bond_Count	5
80	Mono_Isotopic_Weight	172.03717335
71834	Undefined_Bond_Stereo_Count	0
18212	Defined_Atom_Stereo_Count	0
82085	Molecular_Weight	190.16
439839	Isotope_Atom_Count	0
4320774	Isotope_Atom_Count	0
56631355	TPSA	40.5
31677	Hydrogen_Bond_Acceptor_Count	2
9461	Covalent_Unit_Count	1
123683	Undefined_Bond_Stereo_Count	0
2735001	Non-hydrogen_Atom_Count	12
48469	Mono_Isotopic_Weight	222.10044231
6337614	Exact_Mass	296.188863393
63134	Structure_Complexity	390
20253286	Structure_Complexity	65.5
572852	Tautomer_Count	3
49852363	Mono_Isotopic_Weight	305.1546421
11150526	Undefined_Atom_Stereo_Count	0
3003004	Undefined_Atom_Stereo_Count	0
39085	Rotatable_Bond_Count	6
5746249	Rotatable_Bond_Count	5
91612119	Non-hydrogen_Atom_Count	8
101080369	Undefined_Bond_Stereo_Count	0
66550979	Hydrogen_Bond_Donor_Count	2
188206	Undefined_Bond_Stereo_Count	0
138539	Non-hydrogen_Atom_Count	7
49831162	Hydrogen_Bond_Acceptor_Count	9
6535	Undefined_Atom_Stereo_Count	0
21694910	Defined_Bond_Stereo_Count	0
72402	Isotope_Atom_Count	0
7170	Rotatable_Bond_Count	5
20483	Exact_Mass	185.98429308
78766	TPSA	49.4
2898	Hydrogen_Bond_Acceptor_Count	4
90793640	Covalent_Unit_Count	1
91773	Covalent_Unit_Count	1
6431301	Exact_Mass	194.130679813
11094575	Molecular_Weight	114.14
10237	TPSA	66.5
6426741	Defined_Atom_Stereo_Count	3
11316914	Rotatable_Bond_Count	4
463694	TPSA	83.6
129734033	Undefined_Atom_Stereo_Count	0
54086435	Rotatable_Bond_Count	1
2446	Molecular_Weight	344.25
89240655	Hydrogen_Bond_Donor_Count	1
11226090	Tautomer_Count	2
23665037	Hydrogen_Bond_Acceptor_Count	10
21616978	Isotope_Atom_Count	0
11789150	Isotope_Atom_Count	0
137720	Hydrogen_Bond_Acceptor_Count	2
69967	Undefined_Atom_Stereo_Count	0
67301	Isotope_Atom_Count	0
60196385	Hydrogen_Bond_Donor_Count	0
47825	Total_Formal_Charge	0
2895	Exact_Mass	275.167399674
398516	Exact_Mass	380.13069707
11493841	Covalent_Unit_Count	1
84647715	Mono_Isotopic_Weight	115.063328530
23436	Hydrogen_Bond_Donor_Count	0
12323	Undefined_Atom_Stereo_Count	1
8301	Covalent_Unit_Count	1
17617	Structure_Complexity	181
79960033	Hydrogen_Bond_Acceptor_Count	1
91936858	Structure_Complexity	387
71773445	Exact_Mass	552.03040840
123942782	Undefined_Bond_Stereo_Count	0
127404	TPSA	46.4
6342	XLogP3-AA	0
134812042	Hydrogen_Bond_Acceptor_Count	11
16212436	Mono_Isotopic_Weight	566.04954
87512483	Covalent_Unit_Count	1
118209567	Undefined_Atom_Stereo_Count	2
13946	XLogP3-AA	3.4
153903811	XLogP3-AA	0.2
123875607	Defined_Bond_Stereo_Count	0
11463807	XLogP3-AA	3.6
185772	Hydrogen_Bond_Acceptor_Count	3
13761352	Hydrogen_Bond_Acceptor_Count	1
21622	Covalent_Unit_Count	1
920	TPSA	130
24901349	Molecular_Weight	481.6
963389	Undefined_Bond_Stereo_Count	0
23674889	Undefined_Atom_Stereo_Count	1
13528	Hydrogen_Bond_Acceptor_Count	1
27119	Covalent_Unit_Count	2
4019563	Exact_Mass	419.97220756
49796490	Hydrogen_Bond_Donor_Count	0
10453870	Undefined_Bond_Stereo_Count	0
142994149	Hydrogen_Bond_Donor_Count	1
522516	Molecular_Weight	99.97
475319	Defined_Atom_Stereo_Count	2
6849	Rotatable_Bond_Count	0
3689	Exact_Mass	325.204179104
12758013	Undefined_Bond_Stereo_Count	0
9793705	Structure_Complexity	78.1
6983	Undefined_Atom_Stereo_Count	0
12497	Defined_Atom_Stereo_Count	0
10960920	Hydrogen_Bond_Donor_Count	6
585999	Non-hydrogen_Atom_Count	19
20348168	Hydrogen_Bond_Donor_Count	0
53864533	Undefined_Atom_Stereo_Count	0
10648	Non-hydrogen_Atom_Count	16
3913	XLogP3	1.8
72165188	TPSA	104
636362	Isotope_Atom_Count	0
440114	Tautomer_Count	6
2987927	Defined_Atom_Stereo_Count	0
4913	Hydrogen_Bond_Donor_Count	2
443404	Molecular_Weight	231.33
855860	Defined_Bond_Stereo_Count	0
6436135	Isotope_Atom_Count	0
155810229	Undefined_Atom_Stereo_Count	0
638793	Tautomer_Count	1000
92272	Mono_Isotopic_Weight	222.08920892
28697	TPSA	45.8
107994	Tautomer_Count	1
377	Hydrogen_Bond_Donor_Count	6
75690	Mono_Isotopic_Weight	254.13382109
3162	Total_Formal_Charge	0
13561	XLogP3-AA	3.8
9481	Defined_Bond_Stereo_Count	0
687046	XLogP3-AA	1.6
5775	Isotope_Atom_Count	0
198243	Defined_Bond_Stereo_Count	0
15577855	XLogP3-AA	1.3
5353800	Hydrogen_Bond_Donor_Count	0
92839	Total_Formal_Charge	0
7225	Molecular_Weight	133.15
5353985	Hydrogen_Bond_Acceptor_Count	11
10855407	Isotope_Atom_Count	0
72941505	Rotatable_Bond_Count	7
5311236	Hydrogen_Bond_Donor_Count	3
6651	Structure_Complexity	155
98051216	Non-hydrogen_Atom_Count	18
20561716	Rotatable_Bond_Count	0
131874127	TPSA	46.9
24978601	Covalent_Unit_Count	1
31263	Defined_Atom_Stereo_Count	0
11954389	Defined_Atom_Stereo_Count	1
91945062	Isotope_Atom_Count	0
123783729	Isotope_Atom_Count	0
59105109	Hydrogen_Bond_Acceptor_Count	6
1629	Hydrogen_Bond_Acceptor_Count	6
11197171	Defined_Bond_Stereo_Count	2
11625386	TPSA	72.7
12648279	Molecular_Weight	134.60
73292	Covalent_Unit_Count	2
148429079	Hydrogen_Bond_Donor_Count	0
7048777	Isotope_Atom_Count	0
121825	Rotatable_Bond_Count	1
13248583	Molecular_Weight	113.16
15891	Tautomer_Count	1
61695737	Undefined_Bond_Stereo_Count	0
18979	Hydrogen_Bond_Acceptor_Count	5
534496	Defined_Bond_Stereo_Count	0
6419765	Mono_Isotopic_Weight	261.05719778
22608833	Hydrogen_Bond_Donor_Count	1
6704	Exact_Mass	253.03750770
53477778	Structure_Complexity	847
13218140	Rotatable_Bond_Count	1
9884029	Undefined_Bond_Stereo_Count	0
3083671	Hydrogen_Bond_Donor_Count	2
88705879	Covalent_Unit_Count	1
5437	TPSA	71.5
135564558	Undefined_Atom_Stereo_Count	0
9860424	Hydrogen_Bond_Donor_Count	2
154107800	Hydrogen_Bond_Acceptor_Count	2
688938	Hydrogen_Bond_Donor_Count	0
208832	Hydrogen_Bond_Acceptor_Count	3
11587584	Hydrogen_Bond_Donor_Count	1
135457302	Covalent_Unit_Count	1
6869	Mono_Isotopic_Weight	350.09364285
101469918	Covalent_Unit_Count	1
558341	Hydrogen_Bond_Donor_Count	1
18622350	Hydrogen_Bond_Donor_Count	0
3025067	Undefined_Bond_Stereo_Count	0
71821	Non-hydrogen_Atom_Count	18
221523	Defined_Bond_Stereo_Count	0
99416	Hydrogen_Bond_Donor_Count	2
123942782	Hydrogen_Bond_Acceptor_Count	2
29935	Defined_Atom_Stereo_Count	0
13672885	Rotatable_Bond_Count	3
71188	Isotope_Atom_Count	0
23724965	Non-hydrogen_Atom_Count	28
154518019	Non-hydrogen_Atom_Count	6
57667	Undefined_Bond_Stereo_Count	0
16050932	Defined_Bond_Stereo_Count	0
91281	Exact_Mass	155.094628657
247	Tautomer_Count	1
5361250	Undefined_Bond_Stereo_Count	0
60780	Undefined_Bond_Stereo_Count	0
8512	TPSA	54.4
89334461	TPSA	93.2
11029	Mono_Isotopic_Weight	83.9697855
54757524	XLogP3-AA	4.7
12351158	Covalent_Unit_Count	1
751505	Covalent_Unit_Count	1
22609888	XLogP3-AA	3
13306871	Tautomer_Count	1
53931	Defined_Bond_Stereo_Count	0
12017	Structure_Complexity	28.7
18324766	Defined_Atom_Stereo_Count	0
72494242	Total_Formal_Charge	0
76206	Molecular_Weight	134.56
6918483	Hydrogen_Bond_Acceptor_Count	5
126514322	Defined_Atom_Stereo_Count	0
13238893	Defined_Atom_Stereo_Count	0
141829	Tautomer_Count	1
153812620	Defined_Bond_Stereo_Count	0
15981292	Defined_Bond_Stereo_Count	0
10081060	Undefined_Bond_Stereo_Count	0
68437	Tautomer_Count	1
58852839	XLogP3-AA	0.2
5372	Rotatable_Bond_Count	7
135460987	Defined_Bond_Stereo_Count	0
520527	Defined_Atom_Stereo_Count	0
5388993	Defined_Bond_Stereo_Count	0
19787479	Molecular_Weight	82.10
2734246	Defined_Atom_Stereo_Count	0
11910	Molecular_Weight	143.18
20497	Exact_Mass	106.062994177
53775252	Covalent_Unit_Count	1
537329	XLogP3-AA	5.8
12711601	Covalent_Unit_Count	1
16117890	XLogP3-AA	3.3
11388	Total_Formal_Charge	0
11113597	TPSA	166
66696145	Exact_Mass	116.083729621
9942132	Hydrogen_Bond_Acceptor_Count	3
12579403	Hydrogen_Bond_Donor_Count	1
57267838	Undefined_Bond_Stereo_Count	0
122174048	Mono_Isotopic_Weight	627.8438521
11142	Undefined_Bond_Stereo_Count	0
12576851	XLogP3-AA	0.4
5002	Mono_Isotopic_Weight	383.16674822
96029	Hydrogen_Bond_Donor_Count	0
16218641	Defined_Atom_Stereo_Count	0
22027387	Total_Formal_Charge	0
859783	Undefined_Bond_Stereo_Count	0
23393	Tautomer_Count	1
21080	Molecular_Weight	346.6
10351178	Undefined_Atom_Stereo_Count	17
7257	Defined_Atom_Stereo_Count	0
3085218	Total_Formal_Charge	0
219104	Hydrogen_Bond_Donor_Count	1
4714	TPSA	60.7
5282199	Molecular_Weight	330.5
21249654	Defined_Atom_Stereo_Count	0
123489618	Undefined_Bond_Stereo_Count	0
56953649	Structure_Complexity	490
44578615	Isotope_Atom_Count	0
130285	Undefined_Atom_Stereo_Count	1
51504	Exact_Mass	356.2230560
521928	Undefined_Bond_Stereo_Count	0
9895193	Total_Formal_Charge	0
40466996	XLogP3	1.6
119032	Defined_Bond_Stereo_Count	0
6419719	Defined_Atom_Stereo_Count	0
68059	Undefined_Atom_Stereo_Count	0
6858006	Molecular_Weight	873.1
117072357	TPSA	231
20542700	Defined_Atom_Stereo_Count	0
25674	Defined_Atom_Stereo_Count	1
68717	Hydrogen_Bond_Acceptor_Count	4
17995361	Covalent_Unit_Count	1
118215	Undefined_Bond_Stereo_Count	0
1326	Total_Formal_Charge	0
91562	Structure_Complexity	664
59883	Exact_Mass	417.24162724
5513	Defined_Bond_Stereo_Count	0
70695654	Structure_Complexity	1000
23724530	Defined_Bond_Stereo_Count	4
11698194	Covalent_Unit_Count	1
67247849	Defined_Bond_Stereo_Count	0
49756	Total_Formal_Charge	0
446727	Isotope_Atom_Count	0
7098617	Mono_Isotopic_Weight	342.11621151
17317	Covalent_Unit_Count	1
439356	Mono_Isotopic_Weight	203.105862047
53703866	Undefined_Atom_Stereo_Count	1
21958	Non-hydrogen_Atom_Count	7
13740445	Covalent_Unit_Count	1
14171936	Defined_Atom_Stereo_Count	0
26738	Hydrogen_Bond_Acceptor_Count	3
139088888	Molecular_Weight	921.0
166592	Defined_Bond_Stereo_Count	0
88344183	Defined_Atom_Stereo_Count	0
5460853	Mono_Isotopic_Weight	203.082052598
3719	Structure_Complexity	707
23724827	Exact_Mass	271.02388588
136102	Non-hydrogen_Atom_Count	9
17349	Defined_Bond_Stereo_Count	0
99338	XLogP3-AA	1.6
3047751	Mono_Isotopic_Weight	309.12257474
13816	Isotope_Atom_Count	0
6453100	Total_Formal_Charge	0
6440721	Undefined_Atom_Stereo_Count	2
9952773	Hydrogen_Bond_Acceptor_Count	4
27553	Covalent_Unit_Count	1
3790985	Exact_Mass	351.14705815
54492709	Molecular_Weight	110.11
128872	Hydrogen_Bond_Acceptor_Count	3
75755	Undefined_Bond_Stereo_Count	0
19426425	Undefined_Atom_Stereo_Count	0
6089	Defined_Atom_Stereo_Count	0
514	Rotatable_Bond_Count	7
25070195	Covalent_Unit_Count	1
1379	Defined_Atom_Stereo_Count	0
11388294	TPSA	26.3
21854522	Defined_Bond_Stereo_Count	0
23664980	Mono_Isotopic_Weight	456.09671647
8089	Rotatable_Bond_Count	21
339392	Hydrogen_Bond_Acceptor_Count	4
6604557	Undefined_Bond_Stereo_Count	0
171284	Mono_Isotopic_Weight	582.20608914
56835784	Molecular_Weight	492.33
2775311	Rotatable_Bond_Count	0
54573150	Mono_Isotopic_Weight	111.068413911
21989049	Hydrogen_Bond_Acceptor_Count	3
11969480	Total_Formal_Charge	0
10920441	Undefined_Bond_Stereo_Count	0
5463	Mono_Isotopic_Weight	322.05660244
151994	Molecular_Weight	98.14
450591	TPSA	63.3
54217822	Exact_Mass	122.00376522
54166403	Covalent_Unit_Count	1
87280027	Rotatable_Bond_Count	1
84063983	Hydrogen_Bond_Donor_Count	0
69085357	Isotope_Atom_Count	0
79824	Structure_Complexity	125
3354	Non-hydrogen_Atom_Count	29
11363176	Structure_Complexity	674
60196405	Total_Formal_Charge	0
24957182	Mono_Isotopic_Weight	603.20933888
15475284	Exact_Mass	97.089149355
367985	Mono_Isotopic_Weight	257.07351655
25195	Defined_Atom_Stereo_Count	0
16760569	Non-hydrogen_Atom_Count	35
11454753	Molecular_Weight	495.6
524646	Undefined_Atom_Stereo_Count	2
15766	Covalent_Unit_Count	1
497266	Mono_Isotopic_Weight	292.09066547
10849985	TPSA	8.8
24373	Defined_Atom_Stereo_Count	0
289085	TPSA	108
16722126	XLogP3-AA	2.1
5311093	Rotatable_Bond_Count	18
704754	Rotatable_Bond_Count	3
591313	XLogP3	5.1
97656	Non-hydrogen_Atom_Count	30
72304	Covalent_Unit_Count	1
29911	Hydrogen_Bond_Donor_Count	2
70636	XLogP3	2.7
6435156	Structure_Complexity	451
267210	Hydrogen_Bond_Acceptor_Count	3
20034086	XLogP3-AA	1
23423585	Structure_Complexity	58.7
23010495	Molecular_Weight	284.35
70697656	Structure_Complexity	691
102488279	Non-hydrogen_Atom_Count	7
44144429	Covalent_Unit_Count	2
134717663	Undefined_Bond_Stereo_Count	0
22678982	Isotope_Atom_Count	0
130971261	Structure_Complexity	168
447123	Mono_Isotopic_Weight	337.09437113
45358180	Total_Formal_Charge	0
67849	Hydrogen_Bond_Donor_Count	0
22818	Hydrogen_Bond_Donor_Count	1
87637	Defined_Atom_Stereo_Count	0
72734319	Isotope_Atom_Count	0
393602	Rotatable_Bond_Count	5
25152	TPSA	67.3
7675	XLogP3	0.1
487101	Non-hydrogen_Atom_Count	30
82406	Hydrogen_Bond_Donor_Count	0
4340561	Rotatable_Bond_Count	2
57681561	Mono_Isotopic_Weight	393.21781779
20767638	Defined_Atom_Stereo_Count	0
99472	Defined_Bond_Stereo_Count	0
134129845	Covalent_Unit_Count	1
101042985	TPSA	46.5
20638380	Covalent_Unit_Count	1
15103	Isotope_Atom_Count	0
225703	TPSA	93.2
53977912	Mono_Isotopic_Weight	71.037113783
549253	Total_Formal_Charge	0
78073140	Exact_Mass	337.12488341
8489	Total_Formal_Charge	0
5460221	Undefined_Bond_Stereo_Count	0
17995824	Rotatable_Bond_Count	0
21884	Total_Formal_Charge	0
62080	Undefined_Bond_Stereo_Count	0
6435068	Rotatable_Bond_Count	11
5160	XLogP3-AA	1.2
162955686	Total_Formal_Charge	0
6429536	Exact_Mass	199.93343
12352	TPSA	23.8
16131448	Isotope_Atom_Count	0
121391565	Hydrogen_Bond_Acceptor_Count	11
87714328	Undefined_Atom_Stereo_Count	1
29393	Hydrogen_Bond_Acceptor_Count	8
445501	Hydrogen_Bond_Donor_Count	0
12218432	Hydrogen_Bond_Donor_Count	1
29665	Defined_Bond_Stereo_Count	0
10977	Mono_Isotopic_Weight	106.0549280
65013	Defined_Atom_Stereo_Count	0
5460998	Undefined_Atom_Stereo_Count	0
101359	Molecular_Weight	196.17
5324776	Non-hydrogen_Atom_Count	7
88906574	Rotatable_Bond_Count	3
75614	Undefined_Bond_Stereo_Count	0
5365552	Molecular_Weight	82.14
53484518	Covalent_Unit_Count	1
452245	Structure_Complexity	151
9573	Isotope_Atom_Count	0
70693538	Exact_Mass	438.1955211
8393	Tautomer_Count	1
95616	Rotatable_Bond_Count	0
13760530	Non-hydrogen_Atom_Count	8
7431	Undefined_Bond_Stereo_Count	0
85792900	Undefined_Atom_Stereo_Count	0
71309503	Covalent_Unit_Count	1
65091	Molecular_Weight	467.16
20231751	Mono_Isotopic_Weight	160.9560951
34755	Hydrogen_Bond_Donor_Count	4
8543	Defined_Bond_Stereo_Count	0
41733	Hydrogen_Bond_Acceptor_Count	2
7409	Isotope_Atom_Count	0
9934643	Molecular_Weight	475.5
2565	Hydrogen_Bond_Acceptor_Count	5
73707513	Hydrogen_Bond_Acceptor_Count	10
39328	Isotope_Atom_Count	0
33471	Hydrogen_Bond_Donor_Count	1
182180	Hydrogen_Bond_Acceptor_Count	1
9585	Tautomer_Count	1
44404657	Hydrogen_Bond_Donor_Count	1
18635	Hydrogen_Bond_Donor_Count	0
90818	Isotope_Atom_Count	0
135413523	Mono_Isotopic_Weight	666.23192722
121540407	Molecular_Weight	342.30
27387	XLogP3	4.8
192630	Undefined_Atom_Stereo_Count	0
138107	Undefined_Atom_Stereo_Count	0
14476155	TPSA	62.4
138024	Mono_Isotopic_Weight	106.078250319
301542	Defined_Bond_Stereo_Count	0
24901416	XLogP3-AA	3.4
4031	Isotope_Atom_Count	0
4259	Exact_Mass	401.17508442
181583	Undefined_Atom_Stereo_Count	1
3681305	Molecular_Weight	95.979
5281078	Molecular_Weight	433.5
91087911	Hydrogen_Bond_Acceptor_Count	1
471583	Hydrogen_Bond_Acceptor_Count	8
492901	Non-hydrogen_Atom_Count	26
6682	Non-hydrogen_Atom_Count	19
12250944	Defined_Bond_Stereo_Count	0
65874	Defined_Bond_Stereo_Count	0
95578	Defined_Bond_Stereo_Count	0
18195	Defined_Atom_Stereo_Count	0
27531	Tautomer_Count	4
18771155	Rotatable_Bond_Count	2
30945	Hydrogen_Bond_Acceptor_Count	2
62165	XLogP3-AA	7.7
136305612	Mono_Isotopic_Weight	110.059246208
140532060	Mono_Isotopic_Weight	665.30474055
123452974	Total_Formal_Charge	0
18711391	Molecular_Weight	122.21
55283	Defined_Bond_Stereo_Count	0
54324318	Isotope_Atom_Count	0
5018304	Undefined_Bond_Stereo_Count	0
3033988	Undefined_Atom_Stereo_Count	0
59432048	Hydrogen_Bond_Acceptor_Count	4
2781	Undefined_Bond_Stereo_Count	0
20693488	Isotope_Atom_Count	0
6328027	Molecular_Weight	324.4
443366	Total_Formal_Charge	0
41022	Mono_Isotopic_Weight	474.15894084
9798222	Tautomer_Count	7
147126464	Covalent_Unit_Count	1
16220118	Non-hydrogen_Atom_Count	21
637520	Undefined_Bond_Stereo_Count	0
6713988	Hydrogen_Bond_Acceptor_Count	8
67317342	Total_Formal_Charge	0
6990	Hydrogen_Bond_Donor_Count	2
23995	Rotatable_Bond_Count	0
9989264	Defined_Bond_Stereo_Count	0
54352810	Rotatable_Bond_Count	0
4075158	Rotatable_Bond_Count	11
72114	TPSA	40.6
82362	Hydrogen_Bond_Acceptor_Count	13
7021	Undefined_Bond_Stereo_Count	1
20264925	Hydrogen_Bond_Acceptor_Count	2
54682469	TPSA	182
3549191	Covalent_Unit_Count	1
71895	XLogP3-AA	3
54689800	Rotatable_Bond_Count	4
76957773	Covalent_Unit_Count	1
58247643	Rotatable_Bond_Count	1
16007088	Undefined_Atom_Stereo_Count	0
16682730	Hydrogen_Bond_Acceptor_Count	2
12740462	Molecular_Weight	114.14
9803788	Exact_Mass	448.03017
7211	Undefined_Atom_Stereo_Count	2
7436	Rotatable_Bond_Count	3
96412	Non-hydrogen_Atom_Count	6
3567443	Covalent_Unit_Count	1
9310	Covalent_Unit_Count	3
3246941	Mono_Isotopic_Weight	297.19400834
44201376	Mono_Isotopic_Weight	458.19540532
925187	Rotatable_Bond_Count	6
10455790	Hydrogen_Bond_Acceptor_Count	4
71587	Undefined_Atom_Stereo_Count	0
5246420	Molecular_Weight	280.50
11240433	Undefined_Atom_Stereo_Count	1
91769	Hydrogen_Bond_Acceptor_Count	5
208898	XLogP3-AA	7.2
54484769	Total_Formal_Charge	0
44237360	Non-hydrogen_Atom_Count	44
318232	Isotope_Atom_Count	0
119835	Undefined_Atom_Stereo_Count	5
135445058	Isotope_Atom_Count	0
71141	TPSA	279
9833407	Defined_Atom_Stereo_Count	7
5372477	Tautomer_Count	3
11865437	Hydrogen_Bond_Donor_Count	8
446067	Structure_Complexity	1580
152951	Defined_Bond_Stereo_Count	0
24833843	Hydrogen_Bond_Acceptor_Count	9
6509724	Exact_Mass	534.2132792
24502	Molecular_Weight	294.18
8847	Hydrogen_Bond_Acceptor_Count	3
45788558	Rotatable_Bond_Count	0
17480032	Mono_Isotopic_Weight	343.08380644
60144418	Mono_Isotopic_Weight	326.01951273
87401	XLogP3-AA	3
10112	Undefined_Bond_Stereo_Count	0
9222	Non-hydrogen_Atom_Count	9
20531563	Defined_Atom_Stereo_Count	0
2103	Undefined_Bond_Stereo_Count	0
1211	Undefined_Atom_Stereo_Count	2
750	Undefined_Bond_Stereo_Count	0
6350580	Rotatable_Bond_Count	3
10450027	Undefined_Bond_Stereo_Count	0
118578546	Hydrogen_Bond_Acceptor_Count	2
32594	Exact_Mass	166.110613074
12400909	Structure_Complexity	157
18353888	Total_Formal_Charge	0
22082546	Non-hydrogen_Atom_Count	7
5324584	XLogP3-AA	1.4
177861	Isotope_Atom_Count	0
18170	Hydrogen_Bond_Donor_Count	0
137705128	Isotope_Atom_Count	0
19041	Isotope_Atom_Count	0
71077	Hydrogen_Bond_Acceptor_Count	4
21910000	Molecular_Weight	134.18
20787	Structure_Complexity	167
89479318	Rotatable_Bond_Count	0
92162	Defined_Bond_Stereo_Count	0
4865	Covalent_Unit_Count	1
5282948	XLogP3-AA	5.3
270255	Undefined_Atom_Stereo_Count	4
5354486	Hydrogen_Bond_Donor_Count	2
13413802	XLogP3-AA	0.5
128832	Undefined_Atom_Stereo_Count	0
66815	Mono_Isotopic_Weight	205.9804429
138113415	Mono_Isotopic_Weight	765.42004509
76356	Undefined_Atom_Stereo_Count	0
27713	Non-hydrogen_Atom_Count	18
52355	Molecular_Weight	292.29
137240373	Covalent_Unit_Count	6
69251	TPSA	17.1
89040398	Undefined_Bond_Stereo_Count	0
71587637	Isotope_Atom_Count	1
232326	Undefined_Atom_Stereo_Count	0
121207426	Isotope_Atom_Count	0
57395975	Rotatable_Bond_Count	9
12529300	Molecular_Weight	97.12
83478541	Total_Formal_Charge	0
10866300	Covalent_Unit_Count	1
75421	Structure_Complexity	126
41967	Tautomer_Count	1
155895288	Rotatable_Bond_Count	1
274075	XLogP3-AA	3.7
15110004	Hydrogen_Bond_Donor_Count	0
2734117	Hydrogen_Bond_Donor_Count	0
13710589	Rotatable_Bond_Count	1
5284549	Mono_Isotopic_Weight	324.02722052
12132	Hydrogen_Bond_Acceptor_Count	1
447994	TPSA	119
439518	Tautomer_Count	8
85829	Defined_Atom_Stereo_Count	0
6436031	Exact_Mass	380.25627424
5486194	Undefined_Atom_Stereo_Count	0
5723	Hydrogen_Bond_Acceptor_Count	6
69408	Tautomer_Count	1
102521938	Mono_Isotopic_Weight	418.30830982
17925	TPSA	41.5
6299	Undefined_Atom_Stereo_Count	2
33251	Hydrogen_Bond_Donor_Count	0
55264361	Mono_Isotopic_Weight	99.068413911
3173542	Undefined_Bond_Stereo_Count	0
9904	Undefined_Atom_Stereo_Count	0
151085	XLogP3-AA	0.2
10108847	Undefined_Bond_Stereo_Count	0
5093953	Exact_Mass	228.04428736
94204	Exact_Mass	440.401816278
5460221	Structure_Complexity	228
3055	Undefined_Bond_Stereo_Count	0
213039	Hydrogen_Bond_Donor_Count	3
10240789	Covalent_Unit_Count	1
166033	Tautomer_Count	1
12816253	Non-hydrogen_Atom_Count	8
59082722	Isotope_Atom_Count	0
12639	Undefined_Atom_Stereo_Count	0
45358014	TPSA	364
6029	Isotope_Atom_Count	0
7504	Covalent_Unit_Count	1
1032	Tautomer_Count	1
62210	Structure_Complexity	548
87338910	Defined_Atom_Stereo_Count	0
1051	Isotope_Atom_Count	0
76661607	Molecular_Weight	104.15
118796997	Hydrogen_Bond_Acceptor_Count	3
20240	TPSA	46.5
57394598	Undefined_Atom_Stereo_Count	0
731361	Mono_Isotopic_Weight	315.14053348
2853458	Molecular_Weight	229.28
86306373	TPSA	103
12477	Total_Formal_Charge	0
7817	Structure_Complexity	116
164094748	Non-hydrogen_Atom_Count	8
17902	Defined_Atom_Stereo_Count	0
12358890	Exact_Mass	439.13582
669019	Isotope_Atom_Count	0
11788264	TPSA	12
44792	Exact_Mass	173.177964357
23663979	Hydrogen_Bond_Donor_Count	2
57493771	Non-hydrogen_Atom_Count	19
6617	Hydrogen_Bond_Donor_Count	2
69294796	Isotope_Atom_Count	0
16063805	Rotatable_Bond_Count	7
119086018	Molecular_Weight	109.09
10454	Non-hydrogen_Atom_Count	10
12713	Isotope_Atom_Count	0
107751	Total_Formal_Charge	0
9912	Total_Formal_Charge	0
17930361	Mono_Isotopic_Weight	112.125200510
96264	Exact_Mass	168.05349212
72732	Hydrogen_Bond_Donor_Count	0
56270	Hydrogen_Bond_Acceptor_Count	4
46212	Hydrogen_Bond_Donor_Count	2
6450842	Exact_Mass	264.126263138
26421	Non-hydrogen_Atom_Count	10
53484290	TPSA	26.3
22779	Total_Formal_Charge	0
89559	Defined_Atom_Stereo_Count	0
5836	Non-hydrogen_Atom_Count	22
44338784	Hydrogen_Bond_Acceptor_Count	8
3084338	Hydrogen_Bond_Acceptor_Count	3
65761	XLogP3	1.4
10001337	Rotatable_Bond_Count	3
60702533	Covalent_Unit_Count	1
79502	TPSA	57.5
61583	Tautomer_Count	1
54388248	Structure_Complexity	84.4
3373	Covalent_Unit_Count	1
63055	XLogP3	2.3
839611	Defined_Bond_Stereo_Count	0
1548943	Undefined_Atom_Stereo_Count	0
57392965	Hydrogen_Bond_Acceptor_Count	7
13492441	Mono_Isotopic_Weight	109.063997236
18755011	Isotope_Atom_Count	0
12263	Covalent_Unit_Count	1
12372	XLogP3	2.2
135409836	Hydrogen_Bond_Donor_Count	6
135391136	Defined_Bond_Stereo_Count	1
440959	Isotope_Atom_Count	0
8527	Hydrogen_Bond_Donor_Count	3
12933274	Undefined_Atom_Stereo_Count	0
1120	Defined_Bond_Stereo_Count	0
91932	Non-hydrogen_Atom_Count	15
6603828	Undefined_Bond_Stereo_Count	0
5354264	Defined_Atom_Stereo_Count	0
8461	Covalent_Unit_Count	1
7004913	Total_Formal_Charge	0
11285792	Hydrogen_Bond_Acceptor_Count	7
5355026	Defined_Atom_Stereo_Count	0
145454	Mono_Isotopic_Weight	215.09799996
86656004	Undefined_Bond_Stereo_Count	0
2852	Defined_Bond_Stereo_Count	0
66908206	Undefined_Bond_Stereo_Count	0
9793714	Defined_Atom_Stereo_Count	0
13299177	Hydrogen_Bond_Donor_Count	0
546946	Hydrogen_Bond_Donor_Count	0
136231689	Defined_Bond_Stereo_Count	0
55289794	Defined_Bond_Stereo_Count	0
5362115	Undefined_Bond_Stereo_Count	0
10462961	Mono_Isotopic_Weight	783.40948040
6099959	Molecular_Weight	451.12
66094	Undefined_Atom_Stereo_Count	0
11419598	Undefined_Atom_Stereo_Count	0
46209194	TPSA	47.1
5523	Rotatable_Bond_Count	4
134693234	Hydrogen_Bond_Donor_Count	1
6956367	Isotope_Atom_Count	0
491122	Defined_Bond_Stereo_Count	0
59295978	Defined_Atom_Stereo_Count	1
9050	Defined_Atom_Stereo_Count	1
12760727	Structure_Complexity	77.7
14784415	Rotatable_Bond_Count	0
3498	XLogP3	0.9
64655	TPSA	86.2
14169893	TPSA	38
7060524	Mono_Isotopic_Weight	112.063662883
134816864	Defined_Bond_Stereo_Count	0
680036	XLogP3-AA	2.7
7568	Molecular_Weight	260.20
21547708	XLogP3-AA	1.1
145755	TPSA	77.8
57514685	Hydrogen_Bond_Donor_Count	4
129317846	Mono_Isotopic_Weight	1029.60248569
98913	Isotope_Atom_Count	0
140050359	Non-hydrogen_Atom_Count	8
57391458	Defined_Bond_Stereo_Count	0
117968974	Rotatable_Bond_Count	0
21868057	TPSA	0
53694406	Mono_Isotopic_Weight	96.093900383
451668	Rotatable_Bond_Count	2
6436055	TPSA	232
67406	Defined_Bond_Stereo_Count	0
91746164	Mono_Isotopic_Weight	559.07167442
24550	TPSA	0
6363	Covalent_Unit_Count	1
31398	Rotatable_Bond_Count	0
134572252	Defined_Bond_Stereo_Count	0
25020797	Defined_Bond_Stereo_Count	0
11007867	Rotatable_Bond_Count	0
54428	TPSA	84.4
3911	Mono_Isotopic_Weight	1208.64546218
91722674	XLogP3-AA	4.2
13134	Defined_Atom_Stereo_Count	0
18759	Covalent_Unit_Count	1
668624	Structure_Complexity	396
16760658	Exact_Mass	160.01363830
194338	Rotatable_Bond_Count	4
12594098	Hydrogen_Bond_Donor_Count	0
70681	Hydrogen_Bond_Acceptor_Count	1
12820038	Hydrogen_Bond_Donor_Count	0
200638	Structure_Complexity	299
131704233	Exact_Mass	263.129694
1361	Covalent_Unit_Count	1
44291156	Total_Formal_Charge	0
56224	Covalent_Unit_Count	1
91595261	Undefined_Atom_Stereo_Count	0
134826704	Undefined_Bond_Stereo_Count	0
135013065	Undefined_Bond_Stereo_Count	0
46240	Tautomer_Count	1
68289914	XLogP3-AA	1.3
543129	Defined_Bond_Stereo_Count	0
89646	Defined_Atom_Stereo_Count	0
693315	Rotatable_Bond_Count	5
54684461	Exact_Mass	462.16383041
18899	Mono_Isotopic_Weight	205.110278721
53364498	XLogP3-AA	5.5
11567	Structure_Complexity	96.6
105709961	Isotope_Atom_Count	0
156519226	Molecular_Weight	110.15
593919	Exact_Mass	200.94254
42005	Total_Formal_Charge	0
160	Total_Formal_Charge	0
24894017	Hydrogen_Bond_Acceptor_Count	9
10545	Exact_Mass	168.115029749
6274	Total_Formal_Charge	0
20003	Defined_Bond_Stereo_Count	0
71751934	Exact_Mass	327.202608250
134694117	Undefined_Atom_Stereo_Count	1
135402338	Exact_Mass	267.06439116
70249	Hydrogen_Bond_Acceptor_Count	1
12299881	Defined_Atom_Stereo_Count	4
159027	Hydrogen_Bond_Acceptor_Count	1
83864197	Non-hydrogen_Atom_Count	8
7566942	Defined_Atom_Stereo_Count	10
23552387	Hydrogen_Bond_Acceptor_Count	3
13101797	TPSA	30.7
13019050	Non-hydrogen_Atom_Count	30
129236	TPSA	93.5
124809080	TPSA	272
7667	Tautomer_Count	1
96386	Undefined_Bond_Stereo_Count	0
62010	Exact_Mass	101.084063974
70099	Defined_Bond_Stereo_Count	0
165971	Structure_Complexity	0
21976318	Defined_Bond_Stereo_Count	0
2093	Isotope_Atom_Count	0
2709	Defined_Bond_Stereo_Count	0
153852218	Non-hydrogen_Atom_Count	7
44590515	Covalent_Unit_Count	1
9848818	Defined_Bond_Stereo_Count	0
21349800	Mono_Isotopic_Weight	111.032028402
7577	Covalent_Unit_Count	1
70385	Undefined_Atom_Stereo_Count	0
59401	Undefined_Atom_Stereo_Count	0
80778	Isotope_Atom_Count	0
11633038	Defined_Atom_Stereo_Count	3
10131842	Exact_Mass	336.13615911
12599704	Exact_Mass	102.068079557
5784745	Defined_Bond_Stereo_Count	1
6922967	Defined_Bond_Stereo_Count	0
22612	Hydrogen_Bond_Donor_Count	2
80782	Hydrogen_Bond_Acceptor_Count	2
70693267	Exact_Mass	529.1629153
1683	Undefined_Bond_Stereo_Count	0
102233553	Defined_Atom_Stereo_Count	5
68210102	Defined_Bond_Stereo_Count	0
27941	Total_Formal_Charge	0
69238	Undefined_Atom_Stereo_Count	0
20686	Structure_Complexity	142
70807	Covalent_Unit_Count	1
33613	Rotatable_Bond_Count	4
11839	Isotope_Atom_Count	0
25058166	Isotope_Atom_Count	0
73837	Molecular_Weight	135.21
152199271	Exact_Mass	112.088815002
44629585	Exact_Mass	537.38046644
12201380	TPSA	30.7
86252	Hydrogen_Bond_Donor_Count	1
10048368	Undefined_Atom_Stereo_Count	0
7120	Mono_Isotopic_Weight	164.131348519
92303	Covalent_Unit_Count	2
12472552	Total_Formal_Charge	0
28102	Non-hydrogen_Atom_Count	23
411832	Covalent_Unit_Count	1
15661697	Rotatable_Bond_Count	2
44338784	Non-hydrogen_Atom_Count	34
6100711	Mono_Isotopic_Weight	287.886175
12200971	Exact_Mass	117.078978594
30541	Non-hydrogen_Atom_Count	20
71451957	TPSA	99.2
3053755	Hydrogen_Bond_Acceptor_Count	3
12428018	Structure_Complexity	120
10645	Undefined_Bond_Stereo_Count	0
32708	TPSA	65.7
4745	XLogP3-AA	4.2
65499	XLogP3	4.2
58460742	Hydrogen_Bond_Acceptor_Count	1
24917007	Defined_Bond_Stereo_Count	0
7470	Covalent_Unit_Count	1
10101	Defined_Atom_Stereo_Count	0
71651624	Total_Formal_Charge	0
6919025	Mono_Isotopic_Weight	264.0613734
2010	Hydrogen_Bond_Acceptor_Count	18
25201976	Structure_Complexity	217
69299	Rotatable_Bond_Count	3
44312340	Hydrogen_Bond_Acceptor_Count	3
10313382	Undefined_Atom_Stereo_Count	0
45488112	Exact_Mass	456.14092497
446201	Molecular_Weight	677.8
62336	Hydrogen_Bond_Acceptor_Count	2
6967	Non-hydrogen_Atom_Count	18
55560	Hydrogen_Bond_Acceptor_Count	8
22141508	Undefined_Bond_Stereo_Count	0
101497	Mono_Isotopic_Weight	114.02294089
25444	TPSA	455
91687	Hydrogen_Bond_Donor_Count	0
76964745	Isotope_Atom_Count	0
95837	Undefined_Bond_Stereo_Count	0
8928	XLogP3	1.6
12389611	Isotope_Atom_Count	0
78358485	Rotatable_Bond_Count	5
133728	XLogP3-AA	3.1
445501	Defined_Atom_Stereo_Count	1
190	Covalent_Unit_Count	1
10329254	XLogP3-AA	1.2
22628836	Non-hydrogen_Atom_Count	8
819109	Undefined_Bond_Stereo_Count	0
59015	Undefined_Bond_Stereo_Count	0
2274	Total_Formal_Charge	0
78354	Covalent_Unit_Count	1
44137686	Covalent_Unit_Count	1
83797	Non-hydrogen_Atom_Count	6
8468	Total_Formal_Charge	0
139215932	Undefined_Bond_Stereo_Count	0
156693	Hydrogen_Bond_Donor_Count	2
73664614	Mono_Isotopic_Weight	113.047678466
47547	Non-hydrogen_Atom_Count	18
79724	Undefined_Atom_Stereo_Count	0
90038	Structure_Complexity	167
148089453	TPSA	26.3
888	Undefined_Bond_Stereo_Count	0
61082	Exact_Mass	326.1770003
88273595	Undefined_Atom_Stereo_Count	0
44148067	Rotatable_Bond_Count	10
695314	Hydrogen_Bond_Acceptor_Count	4
2132	Defined_Bond_Stereo_Count	0
11074	Isotope_Atom_Count	0
752609	Exact_Mass	320.13722174
15062870	TPSA	41.1
21893333	Isotope_Atom_Count	0
69286	Undefined_Atom_Stereo_Count	0
447213	Exact_Mass	151.099714038
44472635	Defined_Atom_Stereo_Count	4
9530	Molecular_Weight	204.24
62655	Mono_Isotopic_Weight	237.88299787
21275418	Covalent_Unit_Count	1
12409173	Hydrogen_Bond_Acceptor_Count	1
14764380	Hydrogen_Bond_Acceptor_Count	0
12184591	Rotatable_Bond_Count	9
522325	Isotope_Atom_Count	0
67818	Molecular_Weight	364.06
103439594	Covalent_Unit_Count	1
2943	Structure_Complexity	290
873	TPSA	57.5
7648	Hydrogen_Bond_Acceptor_Count	6
13126	Rotatable_Bond_Count	5
38989055	Isotope_Atom_Count	0
101815861	TPSA	59.5
20056950	Isotope_Atom_Count	0
49714	TPSA	38.8
954673	Structure_Complexity	360
2733244	Total_Formal_Charge	0
12936855	Exact_Mass	114.104465066
8540	Hydrogen_Bond_Acceptor_Count	5
18616052	Defined_Atom_Stereo_Count	0
67278	Hydrogen_Bond_Donor_Count	1
12444324	Hydrogen_Bond_Donor_Count	0
20772203	Mono_Isotopic_Weight	110.048012819
3776	Rotatable_Bond_Count	0
2723770	Undefined_Atom_Stereo_Count	0
86429	XLogP3-AA	3.6
166556	Hydrogen_Bond_Donor_Count	2
135565932	Undefined_Bond_Stereo_Count	0
44	Molecular_Weight	118.04
4068	Rotatable_Bond_Count	2
15982150	Molecular_Weight	529.6
23981	Molecular_Weight	151.964
3544692	Total_Formal_Charge	0
130232326	Molecular_Weight	554.5
8679	Defined_Atom_Stereo_Count	0
20483617	Hydrogen_Bond_Acceptor_Count	2
96405	Structure_Complexity	138
7375	Isotope_Atom_Count	0
401	Non-hydrogen_Atom_Count	7
97577	Hydrogen_Bond_Donor_Count	4
22475	Defined_Bond_Stereo_Count	0
65452	Defined_Atom_Stereo_Count	19
22078	Exact_Mass	199.0400063
59067341	Exact_Mass	116.047344113
17865372	Defined_Atom_Stereo_Count	0
23532160	Undefined_Atom_Stereo_Count	0
11407412	Hydrogen_Bond_Donor_Count	1
5372405	Exact_Mass	281.08506629
164252	Undefined_Bond_Stereo_Count	0
10930	Non-hydrogen_Atom_Count	7
48199	Rotatable_Bond_Count	7
50936926	TPSA	85.8
219077	TPSA	43.9
55399	Rotatable_Bond_Count	21
186183	Undefined_Bond_Stereo_Count	0
3052	Hydrogen_Bond_Donor_Count	0
82650924	Undefined_Bond_Stereo_Count	0
60196279	Exact_Mass	622.14348889
12793	Non-hydrogen_Atom_Count	11
31041	Hydrogen_Bond_Acceptor_Count	1
18329130	TPSA	55.6
456389	Covalent_Unit_Count	1
5366244	Mono_Isotopic_Weight	296.307915895
4212	Mono_Isotopic_Weight	444.20088463
9796365	Structure_Complexity	431
31378	XLogP3	1.7
19819	Molecular_Weight	297.13
50990393	TPSA	320
29385	TPSA	0
117569443	Mono_Isotopic_Weight	102.115698455
5481173	Tautomer_Count	14
130122746	TPSA	29.5
9805498	Mono_Isotopic_Weight	486.13954344
21737	XLogP3-AA	1.4
67944215	Undefined_Atom_Stereo_Count	1
6096880	Rotatable_Bond_Count	7
11643997	Structure_Complexity	137
13391	Covalent_Unit_Count	1
30108	Molecular_Weight	233.26
682654	Total_Formal_Charge	0
84336	Defined_Atom_Stereo_Count	0
378348	Undefined_Bond_Stereo_Count	0
12389	XLogP3	7.2
23265	Isotope_Atom_Count	0
7020237	Defined_Atom_Stereo_Count	0
444455	Rotatable_Bond_Count	15
14026391	Undefined_Atom_Stereo_Count	2
54700	Rotatable_Bond_Count	9
2522	Tautomer_Count	1
22097456	Molecular_Weight	112.13
54297443	Hydrogen_Bond_Acceptor_Count	3
136585	Covalent_Unit_Count	1
157920	Structure_Complexity	525
51039095	Rotatable_Bond_Count	8
705645	Total_Formal_Charge	0
10032582	Covalent_Unit_Count	1
118010650	Undefined_Atom_Stereo_Count	0
24946456	Non-hydrogen_Atom_Count	30
30976	Hydrogen_Bond_Acceptor_Count	5
34794	Defined_Atom_Stereo_Count	1
162501	Exact_Mass	321.07258686
296051	Defined_Atom_Stereo_Count	0
133938	Defined_Atom_Stereo_Count	0
71454296	XLogP3-AA	2.7
9818306	Structure_Complexity	476
81832	Hydrogen_Bond_Acceptor_Count	5
6328594	Undefined_Atom_Stereo_Count	0
7395	Undefined_Atom_Stereo_Count	0
219121	Tautomer_Count	10
143780	Structure_Complexity	63.4
121271792	Hydrogen_Bond_Acceptor_Count	4
54429687	Structure_Complexity	89.7
67855	Exact_Mass	121.032777294
71988	Molecular_Weight	344.5
57916384	Defined_Bond_Stereo_Count	0
129653419	Hydrogen_Bond_Acceptor_Count	1
154828150	Exact_Mass	284.16237386
6591	Covalent_Unit_Count	1
19108211	Hydrogen_Bond_Donor_Count	1
137090	Covalent_Unit_Count	1
122222714	Rotatable_Bond_Count	7
10337265	Covalent_Unit_Count	1
580481	Isotope_Atom_Count	0
25828	Defined_Atom_Stereo_Count	0
555	Molecular_Weight	144.19
193972	Tautomer_Count	2
11543	Defined_Bond_Stereo_Count	0
175945	Exact_Mass	312.17254462
216287	Rotatable_Bond_Count	3
10351660	Total_Formal_Charge	0
3316	Hydrogen_Bond_Acceptor_Count	2
7017747	Undefined_Bond_Stereo_Count	0
70249	Rotatable_Bond_Count	8
153793531	Molecular_Weight	343.30
56845949	Non-hydrogen_Atom_Count	6
12656387	Defined_Bond_Stereo_Count	0
694876	Molecular_Weight	194.19
139033724	Mono_Isotopic_Weight	3035.1547236
57485872	TPSA	63.3
13551	Rotatable_Bond_Count	2
448437	Rotatable_Bond_Count	10
6436003	Exact_Mass	466.21555225
10772946	Undefined_Atom_Stereo_Count	0
24729360	Undefined_Bond_Stereo_Count	0
12637126	Mono_Isotopic_Weight	113.047678466
14065290	Covalent_Unit_Count	1
440723	Hydrogen_Bond_Donor_Count	4
20392	Isotope_Atom_Count	0
2724588	Undefined_Bond_Stereo_Count	0
32485	Non-hydrogen_Atom_Count	10
734215	Hydrogen_Bond_Donor_Count	1
16659677	Hydrogen_Bond_Acceptor_Count	11
667498	Defined_Bond_Stereo_Count	0
18997160	Hydrogen_Bond_Acceptor_Count	3
80690	TPSA	64.9
25522	Exact_Mass	324.183778013
13134933	TPSA	222
12636118	TPSA	32.3
84647661	Undefined_Bond_Stereo_Count	0
2530251	Undefined_Atom_Stereo_Count	0
17273	Undefined_Atom_Stereo_Count	4
68713	Exact_Mass	255.137162174
45780	Undefined_Bond_Stereo_Count	0
5273759	Undefined_Atom_Stereo_Count	0
44134800	Total_Formal_Charge	0
10224181	Mono_Isotopic_Weight	424.14230712
53863747	Defined_Bond_Stereo_Count	0
13610	Tautomer_Count	1
444030	Defined_Atom_Stereo_Count	1
17913	Defined_Bond_Stereo_Count	0
225688	Undefined_Bond_Stereo_Count	0
54071	Non-hydrogen_Atom_Count	16
67246725	Defined_Atom_Stereo_Count	0
24917008	TPSA	85.4
9642	Total_Formal_Charge	0
110373	Mono_Isotopic_Weight	114.068079557
11673085	Covalent_Unit_Count	2
5484366	Rotatable_Bond_Count	2
117065485	Covalent_Unit_Count	1
9908880	Covalent_Unit_Count	1
6514	Hydrogen_Bond_Donor_Count	2
18361854	Isotope_Atom_Count	0
7699	Hydrogen_Bond_Donor_Count	1
81638	Mono_Isotopic_Weight	223.0036207
160312	Total_Formal_Charge	0
2775003	Undefined_Bond_Stereo_Count	0
54220457	Total_Formal_Charge	0
14340	Exact_Mass	196.07355886
791	Mono_Isotopic_Weight	131.094628657
53462	Mono_Isotopic_Weight	198.090546336
694117	Total_Formal_Charge	0
102161032	Structure_Complexity	442
163934	Hydrogen_Bond_Donor_Count	1
11612	Total_Formal_Charge	0
30664	Tautomer_Count	1
5359	TPSA	82.6
9940086	Isotope_Atom_Count	0
123178351	Covalent_Unit_Count	1
15627	Rotatable_Bond_Count	2
12261141	Rotatable_Bond_Count	0
443157	Total_Formal_Charge	0
23262349	Hydrogen_Bond_Acceptor_Count	1
60960	Hydrogen_Bond_Acceptor_Count	4
141140026	Defined_Bond_Stereo_Count	0
36082	Non-hydrogen_Atom_Count	16
40692	Rotatable_Bond_Count	2
9926621	Covalent_Unit_Count	1
6917773	Non-hydrogen_Atom_Count	33
78435478	Non-hydrogen_Atom_Count	23
63016	Tautomer_Count	3
54581335	Isotope_Atom_Count	0
12466810	Defined_Bond_Stereo_Count	0
4904109	Tautomer_Count	8
60196333	TPSA	24.9
155971023	Non-hydrogen_Atom_Count	7
556492	Exact_Mass	274.229665576
11009533	XLogP3-AA	2
5305	Exact_Mass	390.230728204
24780	Exact_Mass	500.30708103
44474	Covalent_Unit_Count	1
53878449	Rotatable_Bond_Count	0
23725625	Undefined_Bond_Stereo_Count	0
139149	Covalent_Unit_Count	1
15559317	XLogP3-AA	2.1
5280604	Non-hydrogen_Atom_Count	64
72955	Undefined_Atom_Stereo_Count	1
527256	Undefined_Atom_Stereo_Count	3
10390369	Undefined_Bond_Stereo_Count	0
11497646	Defined_Bond_Stereo_Count	0
16412	Undefined_Bond_Stereo_Count	0
71451930	Structure_Complexity	953
12366	Hydrogen_Bond_Acceptor_Count	2
60196267	Rotatable_Bond_Count	1
77210	Hydrogen_Bond_Acceptor_Count	2
2128	Defined_Bond_Stereo_Count	0
3045335	Mono_Isotopic_Weight	492.2391000
18506437	Total_Formal_Charge	0
81259	Structure_Complexity	262
10103877	Non-hydrogen_Atom_Count	14
160796	Undefined_Atom_Stereo_Count	1
83372	TPSA	45.8
7750	Structure_Complexity	76.1
179547	Hydrogen_Bond_Donor_Count	3
20056430	Total_Formal_Charge	0
2763788	Non-hydrogen_Atom_Count	16
5905	Undefined_Bond_Stereo_Count	0
134715513	Exact_Mass	1000.38411307
3052772	Covalent_Unit_Count	1
66711	TPSA	31.4
85421	Covalent_Unit_Count	1
135566433	Covalent_Unit_Count	1
65802	TPSA	87.2
4175	Isotope_Atom_Count	0
439263	Covalent_Unit_Count	1
13858	Molecular_Weight	109.13
33113	Molecular_Weight	506.20
3246242	Non-hydrogen_Atom_Count	22
11167112	Rotatable_Bond_Count	7
8566	Molecular_Weight	809.1
21940933	Undefined_Atom_Stereo_Count	0
6371710	Isotope_Atom_Count	0
17581	Undefined_Bond_Stereo_Count	0
87219146	Undefined_Atom_Stereo_Count	1
16698	Hydrogen_Bond_Donor_Count	6
5324279	TPSA	32.6
59791	Total_Formal_Charge	0
12667	Exact_Mass	133.090292168
82650934	Non-hydrogen_Atom_Count	8
12936730	Non-hydrogen_Atom_Count	8
69957602	Hydrogen_Bond_Donor_Count	1
13317841	Non-hydrogen_Atom_Count	8
20387237	Rotatable_Bond_Count	1
70689444	Rotatable_Bond_Count	2
12959020	Hydrogen_Bond_Acceptor_Count	8
86590530	Molecular_Weight	25.006
517065	Exact_Mass	444.21576897
11079	Undefined_Atom_Stereo_Count	0
84647614	Structure_Complexity	53.7
23311753	Undefined_Atom_Stereo_Count	2
755	Defined_Bond_Stereo_Count	0
1078	Exact_Mass	355.15523479
2285	Molecular_Weight	152.15
12975	Structure_Complexity	85.6
13492441	Molecular_Weight	109.13
110839	Hydrogen_Bond_Acceptor_Count	3
8054	Hydrogen_Bond_Acceptor_Count	3
76564	Hydrogen_Bond_Donor_Count	0
66569	Molecular_Weight	160.17
5983	Isotope_Atom_Count	0
636403	TPSA	118
44829	TPSA	44.9
14870212	Defined_Bond_Stereo_Count	0
17903417	Covalent_Unit_Count	1
23724963	Total_Formal_Charge	0
15816	Molecular_Weight	216.27
88153493	Hydrogen_Bond_Donor_Count	2
5050	Total_Formal_Charge	0
40470	Hydrogen_Bond_Donor_Count	0
2163	Covalent_Unit_Count	1
81760	Total_Formal_Charge	0
63260	Rotatable_Bond_Count	4
72849	Non-hydrogen_Atom_Count	19
23667568	Hydrogen_Bond_Acceptor_Count	4
42586	Undefined_Atom_Stereo_Count	1
23695542	Structure_Complexity	302
6336525	Covalent_Unit_Count	1
2775003	Hydrogen_Bond_Acceptor_Count	2
67948733	TPSA	98.1
129873282	Defined_Bond_Stereo_Count	0
456222	XLogP3	1.7
83904773	Undefined_Atom_Stereo_Count	3
21670561	Defined_Atom_Stereo_Count	0
199605	Undefined_Atom_Stereo_Count	0
124085867	Rotatable_Bond_Count	4
201990	Undefined_Bond_Stereo_Count	0
109291	TPSA	323
77408	Undefined_Bond_Stereo_Count	0
46930993	Exact_Mass	1619.71036639
446801	Isotope_Atom_Count	0
120303	Non-hydrogen_Atom_Count	8
71356	Non-hydrogen_Atom_Count	20
118984396	Total_Formal_Charge	0
443406	TPSA	43.7
673373	Non-hydrogen_Atom_Count	21
78858	Defined_Bond_Stereo_Count	0
96776	Isotope_Atom_Count	0
53466061	Defined_Bond_Stereo_Count	0
10334852	Rotatable_Bond_Count	6
92950	Covalent_Unit_Count	1
119418	Undefined_Atom_Stereo_Count	0
99404	Molecular_Weight	228.31
24864553	Isotope_Atom_Count	0
36688118	Non-hydrogen_Atom_Count	28
136059	Hydrogen_Bond_Donor_Count	0
1024	Tautomer_Count	9
76542	Covalent_Unit_Count	1
75228679	Defined_Bond_Stereo_Count	0
1966	Defined_Bond_Stereo_Count	0
54581861	Exact_Mass	287.14339037
76966485	Isotope_Atom_Count	0
524623	Exact_Mass	98.109550447
171829	Exact_Mass	293.847903
8147	Undefined_Atom_Stereo_Count	0
650960	Undefined_Bond_Stereo_Count	0
86010	Rotatable_Bond_Count	6
8499	Tautomer_Count	1
102004571	Covalent_Unit_Count	1
87940821	Non-hydrogen_Atom_Count	8
97391	Molecular_Weight	142.20
45934355	Structure_Complexity	457
4111803	Isotope_Atom_Count	0
11469057	Defined_Bond_Stereo_Count	0
519200	TPSA	18.5
11124	Structure_Complexity	49.5
3346	Exact_Mass	278.02002368
149229	Defined_Bond_Stereo_Count	0
41462	Total_Formal_Charge	0
113	Hydrogen_Bond_Donor_Count	4
5282947	Defined_Atom_Stereo_Count	0
11104792	Molecular_Weight	811.0
11701820	Undefined_Bond_Stereo_Count	0
5017	Isotope_Atom_Count	0
10197643	Total_Formal_Charge	0
115080007	Structure_Complexity	78.4
4686	Exact_Mass	434.21046687
69033681	Covalent_Unit_Count	1
144152010	Rotatable_Bond_Count	1
151205	TPSA	88.6
165339	Molecular_Weight	137.16
85047	Tautomer_Count	1
8363	Molecular_Weight	228.24
12317612	XLogP3-AA	1
222528	Undefined_Atom_Stereo_Count	0
9106	Rotatable_Bond_Count	0
107294	Exact_Mass	116.047344113
76755	Hydrogen_Bond_Donor_Count	0
66684	Structure_Complexity	383
19587	Tautomer_Count	2
22096568	Defined_Bond_Stereo_Count	0
37094	Covalent_Unit_Count	1
5238	Structure_Complexity	2
73707684	Defined_Atom_Stereo_Count	0
12443	Molecular_Weight	463.70
77013	Undefined_Bond_Stereo_Count	0
10975533	Undefined_Bond_Stereo_Count	0
56622517	Molecular_Weight	116.16
78960	Undefined_Bond_Stereo_Count	0
30545	Non-hydrogen_Atom_Count	21
53767921	Defined_Bond_Stereo_Count	0
83679395	Hydrogen_Bond_Acceptor_Count	1
610682	Hydrogen_Bond_Donor_Count	1
137347969	Hydrogen_Bond_Donor_Count	1
57420151	Rotatable_Bond_Count	0
17460	Rotatable_Bond_Count	7
9848990	Total_Formal_Charge	0
6437841	Molecular_Weight	326.4
11303	Exact_Mass	290.224580195
99646	Total_Formal_Charge	0
5463911	Mono_Isotopic_Weight	246.21949481
105427064	Defined_Atom_Stereo_Count	0
24561	Structure_Complexity	2
11402147	Defined_Bond_Stereo_Count	0
44431182	Rotatable_Bond_Count	8
132095682	Defined_Atom_Stereo_Count	0
12278548	Defined_Atom_Stereo_Count	0
316797	Covalent_Unit_Count	1
7276	Rotatable_Bond_Count	1
12551755	Covalent_Unit_Count	1
15269993	TPSA	40.4
24752	Rotatable_Bond_Count	8
15657909	Total_Formal_Charge	0
135439051	Structure_Complexity	215
55299692	Undefined_Atom_Stereo_Count	1
2322334	XLogP3-AA	4
143723227	Exact_Mass	108.093900383
16028	XLogP3-AA	5.3
10177255	Hydrogen_Bond_Donor_Count	2
38532	Molecular_Weight	310.5
9601227	Exact_Mass	354.04901859
12040510	Defined_Bond_Stereo_Count	0
57385877	Mono_Isotopic_Weight	369.24162724
5355457	Defined_Atom_Stereo_Count	0
92763	Molecular_Weight	547.5
10100	Defined_Bond_Stereo_Count	0
11966129	Isotope_Atom_Count	0
45120480	Molecular_Weight	110.15
15826366	Defined_Atom_Stereo_Count	0
24946802	Isotope_Atom_Count	0
136183544	Defined_Atom_Stereo_Count	0
4260	Hydrogen_Bond_Acceptor_Count	4
8282	Defined_Atom_Stereo_Count	0
6852391	Structure_Complexity	500
15702063	Molecular_Weight	114.14
53910938	XLogP3-AA	3
108227	Undefined_Bond_Stereo_Count	0
79813	Covalent_Unit_Count	1
23730921	Mono_Isotopic_Weight	203.105862047
9820186	Structure_Complexity	484
80884	Hydrogen_Bond_Donor_Count	7
85597	Mono_Isotopic_Weight	126.068079557
5311108	Undefined_Atom_Stereo_Count	0
667	Rotatable_Bond_Count	20
16212966	Total_Formal_Charge	0
15257	Total_Formal_Charge	0
71773446	Rotatable_Bond_Count	6
6262	Defined_Atom_Stereo_Count	1
27368	Defined_Bond_Stereo_Count	0
168870	Hydrogen_Bond_Donor_Count	4
12708563	Structure_Complexity	62.8
57397775	Total_Formal_Charge	0
22988955	Molecular_Weight	100.12
88534608	Hydrogen_Bond_Donor_Count	0
564890	Exact_Mass	291.100776666
8167	Isotope_Atom_Count	0
517304	Total_Formal_Charge	0
13068	XLogP3	5.1
15908	Mono_Isotopic_Weight	155.142247555
13853	Mono_Isotopic_Weight	86.073164938
9985155	Structure_Complexity	899
362	Rotatable_Bond_Count	0
95566291	XLogP3-AA	5.1
71587201	Defined_Bond_Stereo_Count	0
43057	Total_Formal_Charge	0
26105	Undefined_Atom_Stereo_Count	1
23305495	Mono_Isotopic_Weight	665.30474055
8073	Covalent_Unit_Count	1
8885	Defined_Bond_Stereo_Count	0
62964	TPSA	112
52	Mono_Isotopic_Weight	867.16763975
398570	Rotatable_Bond_Count	2
133613144	Undefined_Atom_Stereo_Count	0
20531373	Defined_Atom_Stereo_Count	0
193450	Exact_Mass	282.11906976
79243	Total_Formal_Charge	0
7790	TPSA	52.6
124246	Undefined_Bond_Stereo_Count	0
58485	Exact_Mass	198.09391764
131810	Non-hydrogen_Atom_Count	47
59875983	Exact_Mass	100.052429494
659064	Structure_Complexity	331
64994767	Rotatable_Bond_Count	1
14536436	Isotope_Atom_Count	0
18908	XLogP3-AA	3.4
120084	Structure_Complexity	30.7
340026	Undefined_Atom_Stereo_Count	0
10176115	Undefined_Bond_Stereo_Count	0
53674625	Mono_Isotopic_Weight	114.042927438
16049024	Undefined_Atom_Stereo_Count	0
21093784	Rotatable_Bond_Count	5
54074602	Isotope_Atom_Count	0
13334302	Covalent_Unit_Count	1
110862	XLogP3-AA	0.3
91807240	Undefined_Atom_Stereo_Count	2
82175	XLogP3-AA	4.8
4004	Molecular_Weight	330.4
92319	Undefined_Bond_Stereo_Count	0
20760783	Defined_Bond_Stereo_Count	0
16760139	Defined_Bond_Stereo_Count	0
74136	Undefined_Atom_Stereo_Count	0
133124921	Covalent_Unit_Count	1
9826744	Hydrogen_Bond_Donor_Count	1
8425	Covalent_Unit_Count	1
31209	Structure_Complexity	199
66735	Hydrogen_Bond_Acceptor_Count	1
558363	Defined_Bond_Stereo_Count	0
1355	Non-hydrogen_Atom_Count	13
12437	Defined_Bond_Stereo_Count	0
3025961	Defined_Bond_Stereo_Count	0
10285780	Defined_Atom_Stereo_Count	0
133121364	TPSA	110
2723715	Covalent_Unit_Count	3
16051	Structure_Complexity	346
135391138	Mono_Isotopic_Weight	1056.4252209
74208	Hydrogen_Bond_Acceptor_Count	2
58265190	Exact_Mass	180.06338810
64965	Exact_Mass	413.03098
360	Total_Formal_Charge	0
41867	Isotope_Atom_Count	0
1077757	XLogP3-AA	3.6
19951	Covalent_Unit_Count	1
184822	Undefined_Bond_Stereo_Count	0
139083335	Total_Formal_Charge	0
54687772	Defined_Bond_Stereo_Count	0
11660	Non-hydrogen_Atom_Count	5
53321035	Structure_Complexity	347
101042985	Isotope_Atom_Count	0
88729	Defined_Atom_Stereo_Count	0
155903767	Hydrogen_Bond_Donor_Count	5
16051942	XLogP3-AA	3.8
63610	XLogP3-AA	4.8
489349	Isotope_Atom_Count	0
10701796	Rotatable_Bond_Count	1
6321405	Hydrogen_Bond_Donor_Count	1
57659	Undefined_Atom_Stereo_Count	0
11241881	Undefined_Atom_Stereo_Count	0
60561	Defined_Bond_Stereo_Count	0
4819	Defined_Atom_Stereo_Count	0
20062234	Rotatable_Bond_Count	0
12962	Non-hydrogen_Atom_Count	5
11378472	Hydrogen_Bond_Donor_Count	2
2617	Undefined_Bond_Stereo_Count	0
59966648	Hydrogen_Bond_Donor_Count	3
6444834	Defined_Bond_Stereo_Count	2
22887897	Exact_Mass	423.23693578
21263	Mono_Isotopic_Weight	100.052429494
101719625	Hydrogen_Bond_Donor_Count	4
56675695	Structure_Complexity	556
21724548	Undefined_Bond_Stereo_Count	0
149519	Mono_Isotopic_Weight	348.19501140
53936618	Covalent_Unit_Count	1
9888347	Exact_Mass	419.25727730
122214804	Mono_Isotopic_Weight	311.9868610
6708773	Defined_Atom_Stereo_Count	0
72959169	Molecular_Weight	516.6
114831	Non-hydrogen_Atom_Count	12
77813014	Non-hydrogen_Atom_Count	8
12302	Total_Formal_Charge	0
9830615	Defined_Atom_Stereo_Count	4
46835136	Hydrogen_Bond_Donor_Count	1
146158974	TPSA	53
854418	Mono_Isotopic_Weight	267.100776666
542317	Rotatable_Bond_Count	5
543880	Covalent_Unit_Count	1
84647703	Non-hydrogen_Atom_Count	8
64356	Undefined_Atom_Stereo_Count	0
75068	Non-hydrogen_Atom_Count	7
58647035	Covalent_Unit_Count	1
25007799	Covalent_Unit_Count	1
121207396	Undefined_Bond_Stereo_Count	0
86566	Undefined_Bond_Stereo_Count	0
5197257	Undefined_Atom_Stereo_Count	2
49852363	Isotope_Atom_Count	0
9774	Defined_Atom_Stereo_Count	0
352335	Isotope_Atom_Count	0
153835411	Isotope_Atom_Count	0
7908	Isotope_Atom_Count	0
4641	Non-hydrogen_Atom_Count	24
72955	Exact_Mass	642.21598512
13573327	Non-hydrogen_Atom_Count	8
3085156	Exact_Mass	226.11398438
18521	Covalent_Unit_Count	1
9136	Tautomer_Count	1
20197983	Hydrogen_Bond_Donor_Count	0
6323336	Undefined_Bond_Stereo_Count	0
15031772	Defined_Atom_Stereo_Count	0
20769610	Non-hydrogen_Atom_Count	8
12096	Total_Formal_Charge	0
71012	Hydrogen_Bond_Acceptor_Count	1
57264323	Non-hydrogen_Atom_Count	6
637563	Mono_Isotopic_Weight	148.088815002
12648080	Molecular_Weight	154.16
2826036	Molecular_Weight	236.25
61203	Exact_Mass	188.03208797
6866	Defined_Bond_Stereo_Count	0
85117	Total_Formal_Charge	0
10920454	Defined_Atom_Stereo_Count	0
6545	Undefined_Bond_Stereo_Count	0
132850502	XLogP3-AA	1.7
136261376	Isotope_Atom_Count	0
245729	Hydrogen_Bond_Donor_Count	2
147873	Non-hydrogen_Atom_Count	18
80788	Mono_Isotopic_Weight	453.926795
6708	Covalent_Unit_Count	1
5917	Defined_Bond_Stereo_Count	0
3058	Covalent_Unit_Count	1
76319	Undefined_Bond_Stereo_Count	0
265301	Molecular_Weight	111.10
8574	Undefined_Atom_Stereo_Count	0
12309465	Structure_Complexity	470
21883050	Undefined_Atom_Stereo_Count	0
681701	Defined_Atom_Stereo_Count	0
45356886	Structure_Complexity	917
54394679	Exact_Mass	108.043596145
12359154	Total_Formal_Charge	0
123228414	XLogP3-AA	1.3
11332423	Molecular_Weight	103.16
21275418	Non-hydrogen_Atom_Count	7
439201	Covalent_Unit_Count	1
18687754	Defined_Bond_Stereo_Count	0
125461340	TPSA	231
32817	Structure_Complexity	144
196651	Isotope_Atom_Count	0
1476857	Non-hydrogen_Atom_Count	18
16627	Undefined_Atom_Stereo_Count	0
62510	XLogP3-AA	1.8
177739	XLogP3	1.2
11957515	TPSA	23.5
13976241	Exact_Mass	99.068413911
96638024	Total_Formal_Charge	0
27774	Covalent_Unit_Count	1
21713286	Non-hydrogen_Atom_Count	7
20587905	Defined_Atom_Stereo_Count	0
50986266	Total_Formal_Charge	0
142552	Total_Formal_Charge	0
5312108	Mono_Isotopic_Weight	821.075439
165542295	Defined_Atom_Stereo_Count	0
49757967	Rotatable_Bond_Count	2
118161592	Defined_Atom_Stereo_Count	0
3061720	Undefined_Atom_Stereo_Count	1
44228720	Covalent_Unit_Count	1
565932	XLogP3-AA	4.3
14410	Covalent_Unit_Count	1
139352	Hydrogen_Bond_Acceptor_Count	3
54682930	Undefined_Atom_Stereo_Count	0
91750	Rotatable_Bond_Count	8
9823887	Defined_Bond_Stereo_Count	1
69392	Mono_Isotopic_Weight	72.057514874
57402175	Defined_Bond_Stereo_Count	0
4333	Undefined_Bond_Stereo_Count	0
12338093	Defined_Bond_Stereo_Count	0
57224326	Isotope_Atom_Count	0
44093	Non-hydrogen_Atom_Count	14
927764	TPSA	73.5
1976	Undefined_Bond_Stereo_Count	0
86398	Total_Formal_Charge	0
85753355	Hydrogen_Bond_Acceptor_Count	2
2830832	TPSA	116
15953353	Undefined_Atom_Stereo_Count	0
24840945	Non-hydrogen_Atom_Count	9
7240495	Mono_Isotopic_Weight	454.04911521
151173	Total_Formal_Charge	0
3040551	Covalent_Unit_Count	2
6629	Exact_Mass	152.083729621
1805	Tautomer_Count	3
14481877	Defined_Bond_Stereo_Count	0
7686	Total_Formal_Charge	0
29025	Defined_Bond_Stereo_Count	0
9883104	Defined_Atom_Stereo_Count	0
72332	Hydrogen_Bond_Donor_Count	2
81058	Hydrogen_Bond_Acceptor_Count	2
21867154	Total_Formal_Charge	0
123440880	Mono_Isotopic_Weight	113.022526347
124636142	Undefined_Bond_Stereo_Count	0
37768	Isotope_Atom_Count	0
682	Structure_Complexity	354
4609	Mono_Isotopic_Weight	397.060151
54758599	Non-hydrogen_Atom_Count	98
208920	Undefined_Atom_Stereo_Count	5
17559	TPSA	205
12874682	Hydrogen_Bond_Acceptor_Count	2
399748	Mono_Isotopic_Weight	366.14672380
601293	Structure_Complexity	160
8658	Covalent_Unit_Count	1
61259	Isotope_Atom_Count	0
119202	Molecular_Weight	388.5
4934	Undefined_Bond_Stereo_Count	0
440966	Structure_Complexity	177
718618	Isotope_Atom_Count	0
7827	Undefined_Bond_Stereo_Count	0
528405	XLogP3-AA	1.6
96381	Mono_Isotopic_Weight	220.146329876
78377	Tautomer_Count	1
156497240	Isotope_Atom_Count	0
60196284	Exact_Mass	451.3217074
135431272	Hydrogen_Bond_Donor_Count	2
12202794	Covalent_Unit_Count	1
54267	Structure_Complexity	13.1
12223638	XLogP3-AA	0
131664126	Undefined_Atom_Stereo_Count	0
447360	Rotatable_Bond_Count	5
317883	Total_Formal_Charge	0
2599	Isotope_Atom_Count	0
194774	Exact_Mass	240.078644241
198015	Undefined_Bond_Stereo_Count	0
86276476	Mono_Isotopic_Weight	533.53293906
71145	Mono_Isotopic_Weight	237.10010796
151085	Defined_Atom_Stereo_Count	0
52576	Covalent_Unit_Count	1
8635	Exact_Mass	151.063328530
2105	Exact_Mass	189.07495584
10070040	Mono_Isotopic_Weight	408.24129289
824336	Hydrogen_Bond_Acceptor_Count	5
14225651	Molecular_Weight	112.17
133268488	Molecular_Weight	770.0
21917382	Hydrogen_Bond_Donor_Count	0
8218	Tautomer_Count	1
19784171	Defined_Atom_Stereo_Count	0
12309460	Undefined_Bond_Stereo_Count	0
17345	Mono_Isotopic_Weight	256.99453721
10241442	Non-hydrogen_Atom_Count	13
112711235	Mono_Isotopic_Weight	113.058911855
74682	Defined_Bond_Stereo_Count	0
5364328	Structure_Complexity	102
7922	Exact_Mass	100.016043985
159626	Covalent_Unit_Count	3
10429739	Defined_Bond_Stereo_Count	0
398	Undefined_Bond_Stereo_Count	0
181749	Non-hydrogen_Atom_Count	7
155977656	TPSA	229
2723772	Mono_Isotopic_Weight	116.01566732
1141	Total_Formal_Charge	0
21484	Molecular_Weight	217.57
13649426	Rotatable_Bond_Count	2
68949	Hydrogen_Bond_Acceptor_Count	14
12961638	Hydrogen_Bond_Acceptor_Count	5
130122759	Structure_Complexity	111
1833	Defined_Atom_Stereo_Count	0
162248613	Rotatable_Bond_Count	1
3717450	Hydrogen_Bond_Donor_Count	3
119097554	Structure_Complexity	80.2
26888	Undefined_Atom_Stereo_Count	0
429819	Non-hydrogen_Atom_Count	13
5377254	Defined_Atom_Stereo_Count	0
92043507	Total_Formal_Charge	0
89248	Non-hydrogen_Atom_Count	23
46917793	Structure_Complexity	460
456557	Isotope_Atom_Count	0
5829	Covalent_Unit_Count	1
46204458	Undefined_Atom_Stereo_Count	0
148191	Defined_Bond_Stereo_Count	0
17279	Defined_Atom_Stereo_Count	0
134879127	Rotatable_Bond_Count	4
428745	Rotatable_Bond_Count	0
11116013	Isotope_Atom_Count	0
6918540	Hydrogen_Bond_Donor_Count	1
88051	Tautomer_Count	3
16211610	Hydrogen_Bond_Acceptor_Count	14
5287851	Defined_Atom_Stereo_Count	2
83656	Defined_Bond_Stereo_Count	0
9245	Non-hydrogen_Atom_Count	7
41377	Total_Formal_Charge	0
56679001	Hydrogen_Bond_Acceptor_Count	6
60984	Undefined_Bond_Stereo_Count	0
130537941	Undefined_Bond_Stereo_Count	0
129761	Hydrogen_Bond_Donor_Count	2
5284540	Hydrogen_Bond_Acceptor_Count	7
65772	Undefined_Bond_Stereo_Count	0
59154494	Isotope_Atom_Count	0
3865	Undefined_Bond_Stereo_Count	0
8736	Hydrogen_Bond_Donor_Count	1
59603622	Hydrogen_Bond_Acceptor_Count	8
3001860	Molecular_Weight	93.18
141130780	Structure_Complexity	74.5
5353521	Defined_Atom_Stereo_Count	0
461	Mono_Isotopic_Weight	399.33485892
5360516	Hydrogen_Bond_Acceptor_Count	5
14283774	Isotope_Atom_Count	0
92821	Structure_Complexity	90.3
3038482	Structure_Complexity	373
47	Covalent_Unit_Count	1
10282517	Defined_Atom_Stereo_Count	0
36846	Mono_Isotopic_Weight	319.157228913
87468088	Defined_Bond_Stereo_Count	0
42614	TPSA	104
9547928	TPSA	226
116119794	TPSA	29.1
24883860	Non-hydrogen_Atom_Count	156
10042953	Isotope_Atom_Count	0
9678	Non-hydrogen_Atom_Count	12
11865	Hydrogen_Bond_Donor_Count	0
99560	Hydrogen_Bond_Acceptor_Count	4
8692	Undefined_Atom_Stereo_Count	1
493342	Rotatable_Bond_Count	5
4562	Undefined_Bond_Stereo_Count	4
57077346	Mono_Isotopic_Weight	105.032697108
9809	Defined_Bond_Stereo_Count	0
89518758	Total_Formal_Charge	0
54250649	Defined_Atom_Stereo_Count	0
42231	Tautomer_Count	4
76748	Structure_Complexity	105
23668195	Undefined_Bond_Stereo_Count	0
9457	Non-hydrogen_Atom_Count	12
68056645	Non-hydrogen_Atom_Count	8
13087266	Isotope_Atom_Count	0
7533	Structure_Complexity	200
9162	Defined_Atom_Stereo_Count	0
9902908	TPSA	139
86472	Rotatable_Bond_Count	14
8892	TPSA	37.3
19882916	Defined_Atom_Stereo_Count	0
6427079	Undefined_Bond_Stereo_Count	0
194774	Defined_Atom_Stereo_Count	0
139782102	Hydrogen_Bond_Acceptor_Count	1
53315139	Covalent_Unit_Count	1
5603	XLogP3	2.4
10931374	Non-hydrogen_Atom_Count	7
3359	Undefined_Bond_Stereo_Count	0
25209	Undefined_Bond_Stereo_Count	1
135436539	Undefined_Atom_Stereo_Count	0
8473	Mono_Isotopic_Weight	92.062600255
21538770	Mono_Isotopic_Weight	102.068079557
135403634	Covalent_Unit_Count	2
1932	Defined_Bond_Stereo_Count	0
248370	Non-hydrogen_Atom_Count	27
13469816	Rotatable_Bond_Count	1
5362123	Covalent_Unit_Count	2
23690430	Exact_Mass	190.01028425
62433	Defined_Atom_Stereo_Count	0
71433133	Defined_Bond_Stereo_Count	0
37542	Structure_Complexity	304
88703	Exact_Mass	88.052429494
43815	Hydrogen_Bond_Donor_Count	1
10486806	Undefined_Atom_Stereo_Count	1
136648	Defined_Atom_Stereo_Count	0
2723942	Hydrogen_Bond_Donor_Count	3
6918537	Exact_Mass	303.19467705
111037	Tautomer_Count	1
81569	Tautomer_Count	1
9874874	Exact_Mass	697.38259695
70593	Structure_Complexity	352
4953	Mono_Isotopic_Weight	334.21440943
72038	Defined_Atom_Stereo_Count	0
150929	Covalent_Unit_Count	1
17613	Total_Formal_Charge	0
285552	Rotatable_Bond_Count	0
129693502	Hydrogen_Bond_Donor_Count	8
664419	Mono_Isotopic_Weight	340.1090889
65761	Undefined_Atom_Stereo_Count	0
54285963	Total_Formal_Charge	0
25086585	Rotatable_Bond_Count	66
9839867	Tautomer_Count	1
17807203	Rotatable_Bond_Count	2
129630288	Total_Formal_Charge	0
146158568	Mono_Isotopic_Weight	527.23263824
128832	Hydrogen_Bond_Acceptor_Count	3
37825	XLogP3-AA	2.6
8679	Hydrogen_Bond_Donor_Count	1
273032	Undefined_Bond_Stereo_Count	0
62010	Total_Formal_Charge	0
446127	Mono_Isotopic_Weight	152.083729621
18791709	Hydrogen_Bond_Acceptor_Count	2
76464	Exact_Mass	226.07588133
42599603	XLogP3-AA	2.8
32698	Defined_Atom_Stereo_Count	0
13400	Undefined_Bond_Stereo_Count	0
18934502	Molecular_Weight	84.12
57394197	Undefined_Atom_Stereo_Count	0
6918457	Hydrogen_Bond_Acceptor_Count	7
14417041	Exact_Mass	113.084063974
11397	Covalent_Unit_Count	1
13140	Covalent_Unit_Count	1
131170	Molecular_Weight	216.62
13432	Exact_Mass	187.063328530
350667	Molecular_Weight	87.12
14286857	Defined_Bond_Stereo_Count	0
56832511	Mono_Isotopic_Weight	475.13996221
36131	Rotatable_Bond_Count	9
68260574	XLogP3	3.7
11967617	Defined_Bond_Stereo_Count	0
5287565	Rotatable_Bond_Count	0
76968809	Isotope_Atom_Count	0
65456803	Total_Formal_Charge	0
10953456	Defined_Atom_Stereo_Count	0
2175	Undefined_Atom_Stereo_Count	6
23430	Mono_Isotopic_Weight	448.18456586
23573	Isotope_Atom_Count	0
2083	Hydrogen_Bond_Donor_Count	4
656657	Total_Formal_Charge	0
16131097	Total_Formal_Charge	0
58152970	Non-hydrogen_Atom_Count	15
3467	Exact_Mass	477.31624873
77114	Structure_Complexity	614
66666	Mono_Isotopic_Weight	130.078250319
89829	Non-hydrogen_Atom_Count	11
198136	Non-hydrogen_Atom_Count	25
32575	Non-hydrogen_Atom_Count	21
21831638	Structure_Complexity	151
4068533	Exact_Mass	94.00307362
23219736	Structure_Complexity	74.1
103535	Defined_Bond_Stereo_Count	0
441	Isotope_Atom_Count	0
11282394	Exact_Mass	452.13186158
2281	TPSA	174
21343689	Covalent_Unit_Count	1
8351	Molecular_Weight	173.25
5311504	Rotatable_Bond_Count	3
12590282	Isotope_Atom_Count	0
62219	Undefined_Atom_Stereo_Count	0
56673551	Exact_Mass	454.20049070
66022	Mono_Isotopic_Weight	269.308250248
12300006	Non-hydrogen_Atom_Count	39
17787659	Exact_Mass	112.063662883
66703	Undefined_Atom_Stereo_Count	0
4807	Undefined_Atom_Stereo_Count	0
86369	Molecular_Weight	387.2
130731	Undefined_Bond_Stereo_Count	0
62369	Undefined_Bond_Stereo_Count	0
4027	Covalent_Unit_Count	1
2724032	Non-hydrogen_Atom_Count	11
59276	Molecular_Weight	371.07
119095542	Total_Formal_Charge	0
3532561	Non-hydrogen_Atom_Count	6
5288991	Defined_Atom_Stereo_Count	4
20387241	Mono_Isotopic_Weight	99.104799419
10047141	Undefined_Bond_Stereo_Count	0
129814671	Total_Formal_Charge	0
49865495	Rotatable_Bond_Count	2
6918637	TPSA	98.7
137249786	Hydrogen_Bond_Acceptor_Count	7
36	TPSA	94.8
85689	Undefined_Atom_Stereo_Count	2
5173	Structure_Complexity	164
13536814	Tautomer_Count	1
52919826	Defined_Bond_Stereo_Count	0
1413	Molecular_Weight	320.5
28561	Exact_Mass	177.03606841
5460037	Structure_Complexity	625
14444485	Exact_Mass	245.08993720
91932	Rotatable_Bond_Count	3
87573795	Exact_Mass	541.48100934
69676	XLogP3	2.9
694052	TPSA	111
873450	Rotatable_Bond_Count	3
6917789	Isotope_Atom_Count	0
521348	Structure_Complexity	47.8
118988662	TPSA	97.3
54562	Hydrogen_Bond_Acceptor_Count	2
17819	Defined_Atom_Stereo_Count	0
12661198	Exact_Mass	100.052429494
25144925	Covalent_Unit_Count	1
3779	Mono_Isotopic_Weight	211.12084340
23700068	Defined_Atom_Stereo_Count	0
446284	XLogP3-AA	5.6
54102072	Hydrogen_Bond_Acceptor_Count	1
14805639	Total_Formal_Charge	0
4336	Mono_Isotopic_Weight	381.23376515
11187581	Undefined_Atom_Stereo_Count	0
11604525	Hydrogen_Bond_Acceptor_Count	6
5804	Molecular_Weight	635.96
13939519	Mono_Isotopic_Weight	114.068079557
51954	Total_Formal_Charge	0
10899	Defined_Atom_Stereo_Count	0
146158553	Defined_Atom_Stereo_Count	1
18591	Molecular_Weight	128.25
44629542	Mono_Isotopic_Weight	530.24436689
164179927	Hydrogen_Bond_Donor_Count	4
10176672	Rotatable_Bond_Count	1
242356	Non-hydrogen_Atom_Count	21
57369411	Structure_Complexity	1370
62580	Undefined_Bond_Stereo_Count	0
1610	Exact_Mass	230.09027155
6713960	Exact_Mass	479.28830265
13027931	Non-hydrogen_Atom_Count	8
267449	Hydrogen_Bond_Donor_Count	1
90754	Defined_Atom_Stereo_Count	0
9803225	Hydrogen_Bond_Acceptor_Count	3
5984	Hydrogen_Bond_Acceptor_Count	6
118	Undefined_Atom_Stereo_Count	0
16063245	TPSA	111
12425308	Hydrogen_Bond_Acceptor_Count	3
16219	Exact_Mass	283.323900312
89127533	Total_Formal_Charge	0
10486501	Non-hydrogen_Atom_Count	85
7274	Tautomer_Count	1
11244031	Covalent_Unit_Count	1
305	Mono_Isotopic_Weight	104.107539070
53754520	Exact_Mass	180.089877630
20388	Mono_Isotopic_Weight	531.85339
6412	Covalent_Unit_Count	1
2423	Defined_Atom_Stereo_Count	0
78544	Mono_Isotopic_Weight	267.05315777
53803	Covalent_Unit_Count	2
154237264	Hydrogen_Bond_Donor_Count	0
54676228	Tautomer_Count	14
152754843	Total_Formal_Charge	0
43454	Undefined_Atom_Stereo_Count	0
17607	Defined_Bond_Stereo_Count	0
5487426	Rotatable_Bond_Count	5
67248528	Exact_Mass	424.0989983
3386966	Mono_Isotopic_Weight	67.029623104
61044	Tautomer_Count	1
23896	Defined_Bond_Stereo_Count	0
6453729	Isotope_Atom_Count	0
14569053	Total_Formal_Charge	0
820051	XLogP3-AA	0.2
21610771	Defined_Bond_Stereo_Count	0
6908	Undefined_Atom_Stereo_Count	0
3379	XLogP3	2.5
21168	Non-hydrogen_Atom_Count	12
6165447	Total_Formal_Charge	0
11267	Hydrogen_Bond_Donor_Count	3
10678200	Non-hydrogen_Atom_Count	8
57004451	Exact_Mass	114.068079557
17956339	Hydrogen_Bond_Acceptor_Count	8
8411	Exact_Mass	244.121177757
119098289	Defined_Bond_Stereo_Count	0
8970	Hydrogen_Bond_Donor_Count	0
6539304	Covalent_Unit_Count	1
72286622	Isotope_Atom_Count	0
60196384	Covalent_Unit_Count	2
363121	Covalent_Unit_Count	1
121494123	Molecular_Weight	7165
15558498	TPSA	91.3
54537	Tautomer_Count	2
449015	Hydrogen_Bond_Acceptor_Count	4
53701126	Undefined_Bond_Stereo_Count	0
164006	Undefined_Atom_Stereo_Count	1
11345692	Hydrogen_Bond_Donor_Count	0
736104	Structure_Complexity	248
79278	Covalent_Unit_Count	1
11847	Rotatable_Bond_Count	0
77487	Structure_Complexity	118
69359	Rotatable_Bond_Count	2
52946209	Structure_Complexity	374
189031	Isotope_Atom_Count	0
80654	Non-hydrogen_Atom_Count	10
57511216	Undefined_Atom_Stereo_Count	0
4380	Mono_Isotopic_Weight	271.0530695
3389	Exact_Mass	549.26368312
137798	Mono_Isotopic_Weight	166.08162162
7058	Defined_Atom_Stereo_Count	0
518455	Exact_Mass	113.07014524
46557	Undefined_Bond_Stereo_Count	0
5895404	Undefined_Atom_Stereo_Count	0
40399	Structure_Complexity	349
20551532	Structure_Complexity	89.7
123914282	Covalent_Unit_Count	1
73124	Tautomer_Count	3
22757346	Hydrogen_Bond_Donor_Count	0
21884	Mono_Isotopic_Weight	147.068413911
94865124	Defined_Atom_Stereo_Count	16
125037258	Hydrogen_Bond_Donor_Count	8
42602949	Hydrogen_Bond_Donor_Count	3
92131803	Rotatable_Bond_Count	6
2569	Hydrogen_Bond_Acceptor_Count	7
101136808	Hydrogen_Bond_Donor_Count	21
5003059	Covalent_Unit_Count	1
6434622	Undefined_Bond_Stereo_Count	0
16666	TPSA	20.2
36560	Defined_Atom_Stereo_Count	0
13313	Undefined_Atom_Stereo_Count	0
11560	Exact_Mass	169.97311
101399329	Hydrogen_Bond_Acceptor_Count	2
1549992	Molecular_Weight	222.37
15020	Defined_Atom_Stereo_Count	8
235530	XLogP3	1
5226504	Undefined_Atom_Stereo_Count	0
57403506	Molecular_Weight	435.4
40813	Defined_Atom_Stereo_Count	0
57038995	Non-hydrogen_Atom_Count	7
67512	Defined_Atom_Stereo_Count	0
6778	Undefined_Atom_Stereo_Count	0
57417230	Hydrogen_Bond_Acceptor_Count	12
54686261	Covalent_Unit_Count	1
109198	Total_Formal_Charge	0
13276908	Exact_Mass	97.052763847
78361	Defined_Bond_Stereo_Count	0
123316507	Molecular_Weight	1202.6
129830140	Defined_Bond_Stereo_Count	1
278711	Isotope_Atom_Count	0
10026	XLogP3-AA	1.8
78538	Defined_Atom_Stereo_Count	0
57384039	Defined_Bond_Stereo_Count	0
5003	Tautomer_Count	1
75903	TPSA	78.9
129317883	Undefined_Atom_Stereo_Count	1
85854	Structure_Complexity	37.1
14470	Rotatable_Bond_Count	1
14112	Total_Formal_Charge	0
15566624	Hydrogen_Bond_Donor_Count	1
118177912	Hydrogen_Bond_Acceptor_Count	1
128600	Undefined_Bond_Stereo_Count	0
10457	TPSA	74.6
69238	Hydrogen_Bond_Acceptor_Count	3
6108	XLogP3	1.9
102821	Molecular_Weight	423.7
346327	Structure_Complexity	63.5
49866025	Mono_Isotopic_Weight	309.172878976
5935	Mono_Isotopic_Weight	191.003532
138891	Undefined_Atom_Stereo_Count	1
528407	Isotope_Atom_Count	0
82593532	Defined_Bond_Stereo_Count	0
24978538	Defined_Bond_Stereo_Count	0
28697	Undefined_Bond_Stereo_Count	0
16211009	Total_Formal_Charge	0
3191	Mono_Isotopic_Weight	469.298079487
44205240	Rotatable_Bond_Count	5
108147	Hydrogen_Bond_Donor_Count	8
18720	Hydrogen_Bond_Donor_Count	0
6360	XLogP3-AA	2.1
7937	Exact_Mass	107.073499291
10958	TPSA	38.7
74652204	Mono_Isotopic_Weight	500.1734795
13608	Defined_Atom_Stereo_Count	0
11446375	Total_Formal_Charge	0
131839611	Rotatable_Bond_Count	5
4498	Molecular_Weight	129.16
2111	TPSA	88.6
61361	Molecular_Weight	190.24
9320	Undefined_Atom_Stereo_Count	3
5361309	Undefined_Bond_Stereo_Count	1
16129809	Total_Formal_Charge	0
3051	Covalent_Unit_Count	1
24867283	Mono_Isotopic_Weight	665.30474055
38089	Undefined_Bond_Stereo_Count	0
22022636	Rotatable_Bond_Count	0
11504350	Non-hydrogen_Atom_Count	36
96876	Hydrogen_Bond_Donor_Count	1
71584421	Molecular_Weight	426.5
92153	Rotatable_Bond_Count	22
46899922	Rotatable_Bond_Count	5
44392220	Hydrogen_Bond_Donor_Count	1
5370481	Hydrogen_Bond_Donor_Count	2
104774	Hydrogen_Bond_Acceptor_Count	4
52944109	Structure_Complexity	650
72148	Covalent_Unit_Count	1
6439420	Undefined_Atom_Stereo_Count	0
6917707	Defined_Atom_Stereo_Count	4
7116	Tautomer_Count	1
118654527	Non-hydrogen_Atom_Count	20
57183917	Non-hydrogen_Atom_Count	8
9942132	Rotatable_Bond_Count	0
545800	Exact_Mass	184.219100893
129826843	Molecular_Weight	298.33
9434	Hydrogen_Bond_Acceptor_Count	2
8894	Non-hydrogen_Atom_Count	6
55285271	Covalent_Unit_Count	1
13773524	Hydrogen_Bond_Donor_Count	1
297691	Defined_Atom_Stereo_Count	0
112711235	Rotatable_Bond_Count	1
8923	Tautomer_Count	1
18990949	Rotatable_Bond_Count	0
160666	Undefined_Atom_Stereo_Count	0
520682	Rotatable_Bond_Count	2
5486	Molecular_Weight	440.6
3437	Hydrogen_Bond_Acceptor_Count	4
22594387	Isotope_Atom_Count	0
8140	Tautomer_Count	1
9893	XLogP3	0.6
7095	XLogP3	4
891	Covalent_Unit_Count	1
5404	Exact_Mass	531.1803953
132279500	Rotatable_Bond_Count	0
5076555	Hydrogen_Bond_Donor_Count	1
19820834	Mono_Isotopic_Weight	101.047678466
131810	Undefined_Bond_Stereo_Count	5
32610	Exact_Mass	340.19982200
712421	Hydrogen_Bond_Donor_Count	2
12539494	Isotope_Atom_Count	0
4908365	XLogP3-AA	2.3
2775941	Undefined_Bond_Stereo_Count	0
58168922	Defined_Bond_Stereo_Count	0
11505008	Mono_Isotopic_Weight	557.29011417
57396951	Molecular_Weight	640.8
7465	Undefined_Atom_Stereo_Count	0
91857355	Covalent_Unit_Count	1
57563	Undefined_Atom_Stereo_Count	0
9828310	Exact_Mass	527.31707780
20395	Hydrogen_Bond_Acceptor_Count	4
31294	Structure_Complexity	29
626607	Non-hydrogen_Atom_Count	20
848	Non-hydrogen_Atom_Count	10
26956	Defined_Bond_Stereo_Count	0
98502	Hydrogen_Bond_Donor_Count	2
9795291	Exact_Mass	265.09866828
13707481	Molecular_Weight	114.19
91400094	Hydrogen_Bond_Acceptor_Count	3
441411	Total_Formal_Charge	0
55851	Defined_Atom_Stereo_Count	3
535824	Structure_Complexity	66.7
521348	Isotope_Atom_Count	0
919	Total_Formal_Charge	0
57459433	XLogP3-AA	2.5
536952	Non-hydrogen_Atom_Count	26
42985	Exact_Mass	495.33083616
22967031	Molecular_Weight	115.17
69829	Non-hydrogen_Atom_Count	7
9840857	Total_Formal_Charge	0
12851498	Molecular_Weight	400.5
12676	Non-hydrogen_Atom_Count	8
42808	Rotatable_Bond_Count	1
139078692	Total_Formal_Charge	0
64040	Molecular_Weight	318.3
558341	XLogP3-AA	0.2
10636633	Non-hydrogen_Atom_Count	19
9793905	Structure_Complexity	127
66081	Mono_Isotopic_Weight	96.093900383
53737519	Non-hydrogen_Atom_Count	7
75605138	Defined_Atom_Stereo_Count	0
2453568	XLogP3	1.9
968	Rotatable_Bond_Count	5
90495	Molecular_Weight	218.25
253	XLogP3-AA	0.3
122197581	Covalent_Unit_Count	1
12219458	Exact_Mass	178.145640069
2318546	Defined_Bond_Stereo_Count	0
53861228	TPSA	9.2
72000	Hydrogen_Bond_Acceptor_Count	8
21719209	Hydrogen_Bond_Acceptor_Count	3
78137849	Undefined_Bond_Stereo_Count	0
304035	Tautomer_Count	1
24769	Rotatable_Bond_Count	9
5311032	Rotatable_Bond_Count	14
24822371	Exact_Mass	359.187455
136342570	Defined_Bond_Stereo_Count	0
13205764	Hydrogen_Bond_Donor_Count	2
4868	Isotope_Atom_Count	0
69990	Covalent_Unit_Count	1
2803	XLogP3	1.6
18726540	XLogP3-AA	3.5
5280483	Covalent_Unit_Count	1
158299	Hydrogen_Bond_Donor_Count	0
13607	Hydrogen_Bond_Acceptor_Count	1
116	Hydrogen_Bond_Donor_Count	3
9269197	Mono_Isotopic_Weight	379.20082506
71309671	Hydrogen_Bond_Acceptor_Count	6
44338970	Hydrogen_Bond_Donor_Count	3
446925	Exact_Mass	536.438201786
279062	Total_Formal_Charge	0
13200	Mono_Isotopic_Weight	108.057514874
59481545	Hydrogen_Bond_Donor_Count	1
6992021	Undefined_Bond_Stereo_Count	0
140047825	Total_Formal_Charge	0
9968941	Non-hydrogen_Atom_Count	26
39147	Structure_Complexity	344
45256107	Isotope_Atom_Count	0
61810	Hydrogen_Bond_Donor_Count	1
3714053	TPSA	54.8
9920342	Defined_Atom_Stereo_Count	4
12717	Hydrogen_Bond_Donor_Count	2
71433133	Molecular_Weight	111.14
82917	Hydrogen_Bond_Acceptor_Count	2
14275	Covalent_Unit_Count	1
18196	Defined_Bond_Stereo_Count	0
2735049	Mono_Isotopic_Weight	306.03038692
22160814	Rotatable_Bond_Count	3
18004304	Defined_Bond_Stereo_Count	0
71310254	Hydrogen_Bond_Donor_Count	8
8730	Structure_Complexity	420
20072023	Exact_Mass	116.047344113
637885	Undefined_Bond_Stereo_Count	0
35161	Covalent_Unit_Count	1
449619	Structure_Complexity	61.8
9162	Structure_Complexity	361
11238212	Defined_Atom_Stereo_Count	0
146157736	Covalent_Unit_Count	1
94154	Total_Formal_Charge	0
9799284	TPSA	40.6
3032279	Defined_Atom_Stereo_Count	0
49852344	Covalent_Unit_Count	1
1317	Rotatable_Bond_Count	9
8222	Undefined_Atom_Stereo_Count	0
49652	Total_Formal_Charge	0
5287879	Non-hydrogen_Atom_Count	59
65768	Undefined_Bond_Stereo_Count	0
61141	Hydrogen_Bond_Acceptor_Count	1
86171381	Structure_Complexity	113
6818	Hydrogen_Bond_Acceptor_Count	4
5651	Exact_Mass	1447.4301997
77554	Structure_Complexity	302
54587759	Structure_Complexity	437
20821286	Undefined_Bond_Stereo_Count	0
66011	Covalent_Unit_Count	1
429819	TPSA	66.4
66906036	TPSA	51
18442594	Structure_Complexity	57.7
92389	Structure_Complexity	292
81223	Mono_Isotopic_Weight	208.0654927
141096113	Undefined_Atom_Stereo_Count	2
70220	XLogP3-AA	1.8
64971	Molecular_Weight	456.7
13762	Structure_Complexity	216
9952884	Mono_Isotopic_Weight	401.11577528
71417	Defined_Atom_Stereo_Count	0
16049162	Defined_Bond_Stereo_Count	0
398596	Isotope_Atom_Count	0
9846875	Exact_Mass	456.19435995
3062	Undefined_Atom_Stereo_Count	21
70693664	Total_Formal_Charge	0
20722796	Hydrogen_Bond_Donor_Count	0
135455401	Molecular_Weight	156.95
514067	TPSA	43.4
165558	Undefined_Atom_Stereo_Count	0
12980	Rotatable_Bond_Count	2
133269698	Exact_Mass	342.11621151
9638	Defined_Bond_Stereo_Count	0
643216	Hydrogen_Bond_Acceptor_Count	3
706434	Undefined_Atom_Stereo_Count	0
4621	TPSA	64.1
31209	TPSA	17.1
5287969	Isotope_Atom_Count	0
4350929	Rotatable_Bond_Count	0
160243	Structure_Complexity	390
9961939	TPSA	220
439456	TPSA	261
30781	Total_Formal_Charge	0
520554	Rotatable_Bond_Count	1
21124775	Mono_Isotopic_Weight	367.12019195
41721	Rotatable_Bond_Count	1
14231	Undefined_Atom_Stereo_Count	1
117717938	Undefined_Bond_Stereo_Count	0
7017101	Undefined_Atom_Stereo_Count	0
15903	Hydrogen_Bond_Donor_Count	0
22506613	Defined_Bond_Stereo_Count	0
7094	Exact_Mass	166.172150702
3032396	Mono_Isotopic_Weight	623.21150888
88705	XLogP3-AA	2.4
12705072	TPSA	20.2
11979606	Exact_Mass	1348.67523164
132584645	Hydrogen_Bond_Acceptor_Count	3
191841	Exact_Mass	376.308978523
14238	Defined_Bond_Stereo_Count	0
13512	Hydrogen_Bond_Acceptor_Count	0
65510	Molecular_Weight	262.65
5213	Total_Formal_Charge	0
8663	XLogP3	2.7
139113917	Hydrogen_Bond_Acceptor_Count	12
6994	Exact_Mass	122.073164938
444013	Isotope_Atom_Count	0
241	Non-hydrogen_Atom_Count	6
70684298	Undefined_Bond_Stereo_Count	0
122214397	Non-hydrogen_Atom_Count	33
15103	Structure_Complexity	97
147895	Covalent_Unit_Count	1
65853	XLogP3-AA	1.1
157690	Isotope_Atom_Count	0
9824345	Molecular_Weight	436.5
141366	Exact_Mass	91.042199164
106824140	Non-hydrogen_Atom_Count	8
101077	Structure_Complexity	63.4
15918976	Hydrogen_Bond_Acceptor_Count	3
724045	Undefined_Atom_Stereo_Count	0
131536	Covalent_Unit_Count	1
10066	Mono_Isotopic_Weight	361.875716
22977906	Defined_Atom_Stereo_Count	0
70754	Rotatable_Bond_Count	0
7923	Isotope_Atom_Count	0
94968	Defined_Bond_Stereo_Count	0
137699572	Total_Formal_Charge	0
42754	Mono_Isotopic_Weight	253.01023
63021	Exact_Mass	340.20384475
53569	Isotope_Atom_Count	0
273577	Rotatable_Bond_Count	3
124143	Defined_Bond_Stereo_Count	0
16719220	Molecular_Weight	575.5
67300	Hydrogen_Bond_Acceptor_Count	5
11733	Defined_Bond_Stereo_Count	0
398747	Non-hydrogen_Atom_Count	32
91604	Exact_Mass	210.161979940
70273609	Covalent_Unit_Count	1
57357013	Total_Formal_Charge	0
4366894	Hydrogen_Bond_Acceptor_Count	0
156410	Rotatable_Bond_Count	4
98650	Structure_Complexity	146
87703	TPSA	61.8
22239379	Undefined_Atom_Stereo_Count	0
10097082	XLogP3-AA	2.2
135564655	TPSA	271
62412	Isotope_Atom_Count	0
11957725	Undefined_Bond_Stereo_Count	0
3023	Non-hydrogen_Atom_Count	13
10367	Defined_Atom_Stereo_Count	0
21941690	Non-hydrogen_Atom_Count	8
153577917	Non-hydrogen_Atom_Count	8
17940308	Covalent_Unit_Count	1
71059746	Structure_Complexity	351
13238893	Hydrogen_Bond_Donor_Count	0
12536733	Total_Formal_Charge	0
69137	TPSA	12
6918663	Exact_Mass	401.0634615
129709955	Non-hydrogen_Atom_Count	19
66105	Molecular_Weight	354.4
97698	Non-hydrogen_Atom_Count	14
6918406	Isotope_Atom_Count	0
57441994	Defined_Bond_Stereo_Count	0
21751982	Undefined_Atom_Stereo_Count	0
813605	Undefined_Bond_Stereo_Count	0
446600	Non-hydrogen_Atom_Count	23
16760287	Defined_Bond_Stereo_Count	0
8490	Molecular_Weight	222.12
16052015	Undefined_Atom_Stereo_Count	2
5745206	Structure_Complexity	824
6450	TPSA	92.2
3011734	Rotatable_Bond_Count	12
9812772	Exact_Mass	116.083729621
13270940	Hydrogen_Bond_Acceptor_Count	1
550179	Undefined_Atom_Stereo_Count	0
51380890	Defined_Atom_Stereo_Count	0
124316	Defined_Atom_Stereo_Count	4
90488948	Covalent_Unit_Count	1
438	TPSA	70.4
135398595	Hydrogen_Bond_Acceptor_Count	12
18736933	Undefined_Bond_Stereo_Count	0
517044	Tautomer_Count	1
4371	Molecular_Weight	808.5
42291	Undefined_Bond_Stereo_Count	0
14301363	XLogP3-AA	4.2
2453568	Defined_Bond_Stereo_Count	0
5433	Undefined_Atom_Stereo_Count	2
8282	Hydrogen_Bond_Donor_Count	3
3598879	Exact_Mass	165.06122053
44629601	Defined_Atom_Stereo_Count	2
44134885	Mono_Isotopic_Weight	373.06243472
139086112	XLogP3-AA	1.7
198576	Mono_Isotopic_Weight	313.240564612
73425158	Undefined_Bond_Stereo_Count	0
1202	Covalent_Unit_Count	1
53765090	Total_Formal_Charge	0
90488914	Undefined_Atom_Stereo_Count	2
101306917	Hydrogen_Bond_Acceptor_Count	4
53446942	Covalent_Unit_Count	1
2104	Structure_Complexity	1410
8087	Rotatable_Bond_Count	4
222572	Structure_Complexity	391
269842	Exact_Mass	281.11240398
6917793	Molecular_Weight	408.5
44258	Defined_Atom_Stereo_Count	0
23649427	Isotope_Atom_Count	0
54236240	Defined_Atom_Stereo_Count	0
11189	Undefined_Atom_Stereo_Count	0
2349	Mono_Isotopic_Weight	334.09872823
87919798	XLogP3-AA	0.3
598777	XLogP3-AA	1.5
23398	Rotatable_Bond_Count	7
57461895	Molecular_Weight	116.16
11947765	Hydrogen_Bond_Acceptor_Count	5
7056	Undefined_Atom_Stereo_Count	0
11804893	Defined_Bond_Stereo_Count	0
129803162	Defined_Atom_Stereo_Count	0
45145	Undefined_Bond_Stereo_Count	0
168379	Total_Formal_Charge	0
84705	TPSA	65.6
19768890	Total_Formal_Charge	0
56665391	Covalent_Unit_Count	1
129730	Defined_Bond_Stereo_Count	0
57607	Exact_Mass	492.06584
11476171	Rotatable_Bond_Count	7
675	Molecular_Weight	146.19
41206	Non-hydrogen_Atom_Count	18
23554324	Undefined_Atom_Stereo_Count	0
556888	Isotope_Atom_Count	0
10591878	TPSA	49.8
69158	XLogP3	3.4
87140770	Undefined_Atom_Stereo_Count	1
53910819	Undefined_Bond_Stereo_Count	1
59514	Isotope_Atom_Count	0
2741000	Isotope_Atom_Count	0
163792693	Non-hydrogen_Atom_Count	7
566	TPSA	37.3
626	Molecular_Weight	180.16
136099626	Defined_Bond_Stereo_Count	0
10126081	Undefined_Atom_Stereo_Count	0
9265	Tautomer_Count	1
53735	Hydrogen_Bond_Acceptor_Count	4
9709	Mono_Isotopic_Weight	129.03900549
54411340	Non-hydrogen_Atom_Count	7
11423563	TPSA	32.3
21702770	Undefined_Bond_Stereo_Count	0
162817	Rotatable_Bond_Count	0
78431	Isotope_Atom_Count	0
31336	Mono_Isotopic_Weight	352.0713660
64950	Tautomer_Count	2
87390140	Hydrogen_Bond_Donor_Count	1
85626	Hydrogen_Bond_Donor_Count	0
11009533	Total_Formal_Charge	1
755373	Molecular_Weight	276.29
60196330	Total_Formal_Charge	0
45116687	Defined_Bond_Stereo_Count	0
10333641	Mono_Isotopic_Weight	275.93957
16726085	Non-hydrogen_Atom_Count	30
10102	XLogP3-AA	5.8
139031455	Mono_Isotopic_Weight	553.03823343
52948146	Hydrogen_Bond_Donor_Count	1
1715135	Defined_Bond_Stereo_Count	1
175270	Mono_Isotopic_Weight	262.13174244
714	Total_Formal_Charge	0
20517892	Undefined_Atom_Stereo_Count	2
87079616	Defined_Atom_Stereo_Count	0
8377	Non-hydrogen_Atom_Count	16
21982383	Defined_Bond_Stereo_Count	0
53183	Rotatable_Bond_Count	6
6450531	Hydrogen_Bond_Donor_Count	3
2724123	Defined_Atom_Stereo_Count	0
123678021	Exact_Mass	108.093900383
5494449	Covalent_Unit_Count	1
7370	Rotatable_Bond_Count	1
4345065	Hydrogen_Bond_Acceptor_Count	9
67247971	Isotope_Atom_Count	0
17652	Molecular_Weight	153.18
8430	Covalent_Unit_Count	1
57438703	Mono_Isotopic_Weight	115.99703987
101731271	TPSA	3
46930044	Defined_Atom_Stereo_Count	0
60150535	Undefined_Atom_Stereo_Count	0
217048	Rotatable_Bond_Count	12
10073306	XLogP3-AA	1.8
32592	Total_Formal_Charge	0
122005	Isotope_Atom_Count	0
129816	Undefined_Bond_Stereo_Count	0
20054868	Defined_Bond_Stereo_Count	0
43961	Total_Formal_Charge	0
17586	Hydrogen_Bond_Donor_Count	0
93130	Isotope_Atom_Count	0
73949	Total_Formal_Charge	0
15788279	Hydrogen_Bond_Acceptor_Count	2
11829391	Rotatable_Bond_Count	2
69293	Hydrogen_Bond_Acceptor_Count	1
12344797	Exact_Mass	112.063662883
15367	Undefined_Bond_Stereo_Count	0
10990876	Exact_Mass	321.94425161
63656079	Rotatable_Bond_Count	2
89217	Isotope_Atom_Count	0
10341154	Defined_Atom_Stereo_Count	0
400772	Structure_Complexity	533
460129	Tautomer_Count	1
159225	Hydrogen_Bond_Acceptor_Count	10
5706752	Undefined_Atom_Stereo_Count	0
123737063	Exact_Mass	101.084063974
53763274	Mono_Isotopic_Weight	94.078250319
73216	Covalent_Unit_Count	1
300977	Exact_Mass	89.084063974
8713	XLogP3-AA	1.4
68511084	Isotope_Atom_Count	0
723025	Undefined_Atom_Stereo_Count	0
22314	Molecular_Weight	382.6
69440016	Non-hydrogen_Atom_Count	44
14017587	Structure_Complexity	386
5281794	TPSA	46.5
134826704	Non-hydrogen_Atom_Count	82
10352112	Undefined_Atom_Stereo_Count	0
25137901	Mono_Isotopic_Weight	908.36010511
54184524	Hydrogen_Bond_Acceptor_Count	2
141407440	Defined_Bond_Stereo_Count	0
10290734	Undefined_Atom_Stereo_Count	1
14200416	Hydrogen_Bond_Acceptor_Count	1
136489	Non-hydrogen_Atom_Count	7
95571	Isotope_Atom_Count	0
942	Undefined_Atom_Stereo_Count	1
448875	Covalent_Unit_Count	1
927	Total_Formal_Charge	0
69677	Mono_Isotopic_Weight	134.00918253
44475990	Covalent_Unit_Count	1
136097	Rotatable_Bond_Count	0
12094059	Covalent_Unit_Count	1
439839	Exact_Mass	100.088815002
72703790	TPSA	83.4
122188	Covalent_Unit_Count	2
5813717	Defined_Atom_Stereo_Count	0
43853	Isotope_Atom_Count	0
5282822	Non-hydrogen_Atom_Count	20
70689065	Structure_Complexity	999
87612217	Exact_Mass	179.06161445
9543026	Rotatable_Bond_Count	21
46934730	Mono_Isotopic_Weight	265.09635999
11416891	Tautomer_Count	1
10643636	Non-hydrogen_Atom_Count	27
11476171	Covalent_Unit_Count	1
5282315	Hydrogen_Bond_Donor_Count	4
90771502	Defined_Atom_Stereo_Count	0
21253562	Hydrogen_Bond_Donor_Count	1
450050	Covalent_Unit_Count	3
5368076	Tautomer_Count	1
3246605	Non-hydrogen_Atom_Count	23
136513	Covalent_Unit_Count	1
154489025	Hydrogen_Bond_Acceptor_Count	2
16441	Covalent_Unit_Count	1
11392	Covalent_Unit_Count	1
143888994	Covalent_Unit_Count	1
94271	Hydrogen_Bond_Donor_Count	4
3084101	Hydrogen_Bond_Acceptor_Count	5
34312	Hydrogen_Bond_Acceptor_Count	2
71311389	Total_Formal_Charge	0
59047	Total_Formal_Charge	0
2734168	Undefined_Bond_Stereo_Count	0
304265	Structure_Complexity	92.5
30630	Undefined_Atom_Stereo_Count	0
11632418	Covalent_Unit_Count	1
70919851	Hydrogen_Bond_Acceptor_Count	11
84715993	Total_Formal_Charge	0
12576852	Non-hydrogen_Atom_Count	8
10753311	Defined_Bond_Stereo_Count	0
8354	Rotatable_Bond_Count	1
26747	TPSA	40.5
68976065	Rotatable_Bond_Count	0
5353593	Rotatable_Bond_Count	2
3003	Tautomer_Count	9
6918003	TPSA	50.2
596	Hydrogen_Bond_Acceptor_Count	5
8554	Molecular_Weight	194.18
118610865	Total_Formal_Charge	0
123609380	Exact_Mass	94.078250319
19989310	Undefined_Atom_Stereo_Count	1
71526	Defined_Atom_Stereo_Count	0
399594	TPSA	54.3
11655119	Undefined_Atom_Stereo_Count	0
219081	Defined_Atom_Stereo_Count	0
55289472	Defined_Bond_Stereo_Count	0
5790	Undefined_Bond_Stereo_Count	0
5815211	Tautomer_Count	1
4623	Defined_Bond_Stereo_Count	0
72943	Molecular_Weight	502.7
42231	Non-hydrogen_Atom_Count	30
446916	Defined_Atom_Stereo_Count	0
115011049	Mono_Isotopic_Weight	112.052429494
16556	Exact_Mass	222.173213330
112072	Defined_Atom_Stereo_Count	1
156580566	Exact_Mass	466.21038668
3723	Mono_Isotopic_Weight	627.7853
11197171	Covalent_Unit_Count	1
11240440	Isotope_Atom_Count	0
129730	TPSA	20.2
10887844	TPSA	36.3
435111	Hydrogen_Bond_Donor_Count	1
85694	XLogP3	6
53421140	Exact_Mass	100.052429494
9281	Exact_Mass	816.1726841
11029762	Covalent_Unit_Count	1
71884	XLogP3	2.8
12319	Isotope_Atom_Count	0
556035	Defined_Atom_Stereo_Count	0
121235090	Undefined_Bond_Stereo_Count	0
91501151	Undefined_Bond_Stereo_Count	0
20626699	Defined_Bond_Stereo_Count	0
158434	Covalent_Unit_Count	1
16132316	Structure_Complexity	7850
328164	Defined_Bond_Stereo_Count	0
88706	Exact_Mass	318.0407345
9962735	Rotatable_Bond_Count	31
3109	Exact_Mass	252.00271985
30924	TPSA	32.9
21321822	Total_Formal_Charge	0
53682689	Hydrogen_Bond_Donor_Count	0
612684	Tautomer_Count	1
21031	Rotatable_Bond_Count	0
1855	Undefined_Atom_Stereo_Count	0
4494	Total_Formal_Charge	0
6044	Molecular_Weight	357.16
41867	Rotatable_Bond_Count	5
19935256	TPSA	78.1
3063	Defined_Atom_Stereo_Count	0
14109	XLogP3	5.5
135542454	Total_Formal_Charge	0
139086367	Mono_Isotopic_Weight	392.09022504
11051610	Undefined_Bond_Stereo_Count	0
50192	Defined_Atom_Stereo_Count	10
68552	Molecular_Weight	524.6
637540	Undefined_Atom_Stereo_Count	0
145996610	Hydrogen_Bond_Donor_Count	4
9555	Defined_Bond_Stereo_Count	0
8462	Hydrogen_Bond_Acceptor_Count	5
3031897	Covalent_Unit_Count	2
91825716	Molecular_Weight	245.32
783	Defined_Bond_Stereo_Count	0
23666830	Total_Formal_Charge	0
12313416	Covalent_Unit_Count	1
136603687	Molecular_Weight	116.08
31593	Defined_Atom_Stereo_Count	0
91369480	Non-hydrogen_Atom_Count	8
18539784	Hydrogen_Bond_Acceptor_Count	3
54584775	Exact_Mass	291.13830499
12088	Covalent_Unit_Count	1
641245	Undefined_Atom_Stereo_Count	0
82730	Isotope_Atom_Count	0
22065792	Exact_Mass	71.0304345
317505	Hydrogen_Bond_Acceptor_Count	2
87212	TPSA	90.6
15932798	Structure_Complexity	101
2727	Structure_Complexity	345
145971	Tautomer_Count	3
142559332	Undefined_Atom_Stereo_Count	0
45375806	Isotope_Atom_Count	0
7579	Mono_Isotopic_Weight	200.094963011
10975405	Molecular_Weight	85.10
82953	Rotatable_Bond_Count	0
20782688	Defined_Bond_Stereo_Count	0
118460828	Molecular_Weight	104.15
19348604	Total_Formal_Charge	0
67742	Mono_Isotopic_Weight	309.96877548
71380	Defined_Atom_Stereo_Count	0
18793	Molecular_Weight	184.28
57229732	Total_Formal_Charge	0
16007393	Tautomer_Count	34
54530170	Undefined_Bond_Stereo_Count	0
2286	Non-hydrogen_Atom_Count	25
51025660	Defined_Bond_Stereo_Count	0
1452	Defined_Bond_Stereo_Count	0
44571	Hydrogen_Bond_Acceptor_Count	3
1707	Defined_Atom_Stereo_Count	0
91849037	Covalent_Unit_Count	1
87019	Molecular_Weight	198.26
71586806	Undefined_Atom_Stereo_Count	0
11423580	Structure_Complexity	46.5
129703	Total_Formal_Charge	0
398640	Molecular_Weight	327.3
148837046	TPSA	64.9
55473	Undefined_Bond_Stereo_Count	0
68591	Structure_Complexity	655
20633892	Mono_Isotopic_Weight	112.088815002
91163310	Hydrogen_Bond_Donor_Count	0
1433	Exact_Mass	177.126597491
9903497	Tautomer_Count	2
6436059	Covalent_Unit_Count	1
9430	Mono_Isotopic_Weight	226.146998583
589692	Defined_Atom_Stereo_Count	0
6420022	Defined_Atom_Stereo_Count	0
53786	Molecular_Weight	370.4
45073437	Tautomer_Count	1
5365811	Isotope_Atom_Count	0
7204	Hydrogen_Bond_Donor_Count	1
21803	Undefined_Bond_Stereo_Count	0
125520	Tautomer_Count	2
14796	Mono_Isotopic_Weight	105.9110070
963	Isotope_Atom_Count	0
653817	Isotope_Atom_Count	0
74952	Defined_Atom_Stereo_Count	0
1483593	Hydrogen_Bond_Donor_Count	1
77778	Defined_Atom_Stereo_Count	0
5355856	Mono_Isotopic_Weight	224.177630004
518234	Isotope_Atom_Count	0
22132230	Mono_Isotopic_Weight	102.079312947
3946663	XLogP3-AA	5.9
4285301	Undefined_Atom_Stereo_Count	0
60503	Structure_Complexity	262
129628761	Defined_Atom_Stereo_Count	9
66251	Molecular_Weight	465.0
29934831	Non-hydrogen_Atom_Count	29
14975831	Exact_Mass	75.068413911
239215	Hydrogen_Bond_Donor_Count	0
72568	TPSA	37.4
718862	Structure_Complexity	347
7327	Isotope_Atom_Count	0
70702000	XLogP3-AA	2.2
49865493	Hydrogen_Bond_Acceptor_Count	3
18852	Hydrogen_Bond_Donor_Count	0
7711	Rotatable_Bond_Count	4
16844	Non-hydrogen_Atom_Count	9
25142172	Total_Formal_Charge	0
10131842	Undefined_Atom_Stereo_Count	0
58095446	Covalent_Unit_Count	1
44476451	Hydrogen_Bond_Donor_Count	1
3359	Exact_Mass	666.36822473
193846	Defined_Bond_Stereo_Count	0
389585	Hydrogen_Bond_Acceptor_Count	6
10176113	Exact_Mass	110.084398327
4594378	Rotatable_Bond_Count	4
5106	Isotope_Atom_Count	0
91442	Tautomer_Count	1
9939627	Structure_Complexity	836
755373	Hydrogen_Bond_Acceptor_Count	8
834562	Tautomer_Count	1
136240586	Mono_Isotopic_Weight	282.09641956
21889836	Molecular_Weight	679.8
3047786	Hydrogen_Bond_Donor_Count	0
139061810	Undefined_Bond_Stereo_Count	0
3363251	Hydrogen_Bond_Acceptor_Count	2
184820	Undefined_Atom_Stereo_Count	0
28759	Undefined_Bond_Stereo_Count	0
135441757	Defined_Bond_Stereo_Count	0
126843096	Total_Formal_Charge	0
54332589	Hydrogen_Bond_Acceptor_Count	1
25945	Isotope_Atom_Count	0
12298558	Non-hydrogen_Atom_Count	8
91770	Non-hydrogen_Atom_Count	20
641768	Hydrogen_Bond_Acceptor_Count	1
24901285	Exact_Mass	545.1306684
565082	Hydrogen_Bond_Acceptor_Count	3
89220373	Hydrogen_Bond_Donor_Count	5
126664809	Hydrogen_Bond_Acceptor_Count	5
5853	Total_Formal_Charge	0
20838642	Undefined_Bond_Stereo_Count	0
37993	Undefined_Atom_Stereo_Count	0
24868286	Non-hydrogen_Atom_Count	16
8306	TPSA	58.9
9556	XLogP3-AA	3.6
15113581	Exact_Mass	96.057514874
688107	Non-hydrogen_Atom_Count	15
15516956	Covalent_Unit_Count	1
128882	Total_Formal_Charge	0
8364	Covalent_Unit_Count	1
59174488	Exact_Mass	423.17066774
66727	Hydrogen_Bond_Acceptor_Count	3
440141	Covalent_Unit_Count	1
1257	Rotatable_Bond_Count	2
5311429	Undefined_Atom_Stereo_Count	0
3449165	Rotatable_Bond_Count	0
135445969	Isotope_Atom_Count	0
5382104	Undefined_Atom_Stereo_Count	9
94675	Molecular_Weight	262.23
21490213	Covalent_Unit_Count	1
79450	Hydrogen_Bond_Donor_Count	0
71305057	Total_Formal_Charge	0
5324585	Total_Formal_Charge	0
24961094	Isotope_Atom_Count	0
1792	Covalent_Unit_Count	1
16052011	Hydrogen_Bond_Acceptor_Count	18
9934032	Hydrogen_Bond_Acceptor_Count	7
51671	Structure_Complexity	637
10772936	Mono_Isotopic_Weight	97.089149355
52918379	Structure_Complexity	617
26898	Mono_Isotopic_Weight	290.235813585
8996	XLogP3	1.6
59111489	XLogP3-AA	2.5
71248	Defined_Bond_Stereo_Count	0
3022	TPSA	87.7
61583	Non-hydrogen_Atom_Count	18
19938019	Undefined_Bond_Stereo_Count	0
101074209	TPSA	215
9955578	Molecular_Weight	454.4
91826463	Exact_Mass	434.21046687
15765	Isotope_Atom_Count	0
13805	Mono_Isotopic_Weight	489.11515669
10395173	Exact_Mass	731.48331405
71897	Non-hydrogen_Atom_Count	21
447277	Non-hydrogen_Atom_Count	29
24027	XLogP3-AA	4.6
65595	TPSA	70.6
20836217	XLogP3-AA	4.7
19888379	Defined_Bond_Stereo_Count	0
78137800	Hydrogen_Bond_Acceptor_Count	2
21917899	Hydrogen_Bond_Acceptor_Count	4
123846986	Total_Formal_Charge	0
12527495	Defined_Bond_Stereo_Count	0
129075411	Undefined_Atom_Stereo_Count	0
10695	Molecular_Weight	134.22
11945	Total_Formal_Charge	0
11355437	Defined_Bond_Stereo_Count	0
11461044	Total_Formal_Charge	0
31872	Hydrogen_Bond_Acceptor_Count	2
80293	Defined_Bond_Stereo_Count	0
53326689	XLogP3-AA	4.5
26312	Structure_Complexity	116
545098	Covalent_Unit_Count	1
20336998	Structure_Complexity	41.4
11908488	Molecular_Weight	342.30
96312	Mono_Isotopic_Weight	297.10731860
673647	Non-hydrogen_Atom_Count	12
24913	Tautomer_Count	1
131	Rotatable_Bond_Count	8
13613	Hydrogen_Bond_Donor_Count	0
158896	Tautomer_Count	2
12639	Rotatable_Bond_Count	2
12284127	Mono_Isotopic_Weight	116.083729621
6603806	Defined_Atom_Stereo_Count	1
31247	Structure_Complexity	86.5
216326	Undefined_Bond_Stereo_Count	0
56634286	Exact_Mass	113.095297364
2764068	Non-hydrogen_Atom_Count	18
12302651	Total_Formal_Charge	0
4033	Exact_Mass	155.0268547
84872	Covalent_Unit_Count	1
1086	Undefined_Bond_Stereo_Count	0
10867444	Defined_Atom_Stereo_Count	4
8469	Undefined_Atom_Stereo_Count	2
136059	Defined_Bond_Stereo_Count	0
62323	Defined_Bond_Stereo_Count	0
2794811	Exact_Mass	102.079312947
71880	Hydrogen_Bond_Donor_Count	2
439839	Defined_Bond_Stereo_Count	0
206347	Undefined_Bond_Stereo_Count	0
146779553	Exact_Mass	108.093900383
9925908	Molecular_Weight	286.37
3563	Non-hydrogen_Atom_Count	23
10715	Total_Formal_Charge	0
5360696	Molecular_Weight	271.4
221292	Hydrogen_Bond_Donor_Count	1
56627	Hydrogen_Bond_Acceptor_Count	8
45110509	Non-hydrogen_Atom_Count	55
11949689	Total_Formal_Charge	0
15013749	Molecular_Weight	545.7
101977	Molecular_Weight	156.26
6745	Molecular_Weight	414.7
73433376	Molecular_Weight	100.12
15293	Undefined_Bond_Stereo_Count	0
7075	Total_Formal_Charge	0
3081364	Structure_Complexity	242
5497143	Hydrogen_Bond_Acceptor_Count	22
929262	Tautomer_Count	2
55285553	Undefined_Atom_Stereo_Count	0
5354495	Rotatable_Bond_Count	0
57398259	Hydrogen_Bond_Acceptor_Count	5
170750	TPSA	29.1
225710	Isotope_Atom_Count	0
429734	Isotope_Atom_Count	0
70692775	Total_Formal_Charge	0
13034936	Tautomer_Count	1
44395151	Undefined_Bond_Stereo_Count	0
70755	Isotope_Atom_Count	0
11093674	Hydrogen_Bond_Acceptor_Count	1
10424358	Covalent_Unit_Count	1
18391	Rotatable_Bond_Count	1
2779024	Defined_Bond_Stereo_Count	0
124886	Defined_Atom_Stereo_Count	2
6918612	Exact_Mass	305.16270821
11263488	Hydrogen_Bond_Acceptor_Count	1
637090	Defined_Atom_Stereo_Count	0
20132002	Hydrogen_Bond_Donor_Count	1
141343693	Isotope_Atom_Count	0
180089	Rotatable_Bond_Count	9
118374185	Hydrogen_Bond_Acceptor_Count	2
14888	Defined_Atom_Stereo_Count	0
176171	Undefined_Atom_Stereo_Count	2
138107644	Covalent_Unit_Count	1
12059918	Defined_Bond_Stereo_Count	0
16663248	Non-hydrogen_Atom_Count	28
147246726	Undefined_Atom_Stereo_Count	3
93577	Exact_Mass	338.10016753
13207481	TPSA	63.3
64915	Isotope_Atom_Count	0
631837	Rotatable_Bond_Count	6
44338763	Undefined_Bond_Stereo_Count	0
74183	Defined_Atom_Stereo_Count	0
75979	Rotatable_Bond_Count	6
19809513	Covalent_Unit_Count	1
13542	Structure_Complexity	88.1
21585139	Hydrogen_Bond_Acceptor_Count	1
7172302	Total_Formal_Charge	0
87363	Non-hydrogen_Atom_Count	7
74141	Hydrogen_Bond_Acceptor_Count	3
22047	Undefined_Bond_Stereo_Count	0
79323706	Undefined_Bond_Stereo_Count	0
13991616	Covalent_Unit_Count	1
4369414	Non-hydrogen_Atom_Count	27
89520	Defined_Atom_Stereo_Count	0
122282	Mono_Isotopic_Weight	198.11167570
6450816	Rotatable_Bond_Count	9
5282425	Rotatable_Bond_Count	3
10176241	Rotatable_Bond_Count	0
67707	Defined_Bond_Stereo_Count	0
153196846	Molecular_Weight	97.16
12562198	Defined_Bond_Stereo_Count	0
23681217	Non-hydrogen_Atom_Count	14
91536	Covalent_Unit_Count	1
6433151	TPSA	90.7
23983765	Defined_Bond_Stereo_Count	0
49868142	Undefined_Bond_Stereo_Count	0
4884	Exact_Mass	137.071487915
398635	Covalent_Unit_Count	1
8223	Hydrogen_Bond_Donor_Count	3
20298886	Covalent_Unit_Count	1
154809629	Defined_Bond_Stereo_Count	0
5084	Hydrogen_Bond_Acceptor_Count	3
1032	Undefined_Bond_Stereo_Count	0
6992028	Non-hydrogen_Atom_Count	30
25077993	Molecular_Weight	1323.5
45120722	Defined_Bond_Stereo_Count	0
12310946	Hydrogen_Bond_Acceptor_Count	0
10154033	Hydrogen_Bond_Acceptor_Count	4
39624	Molecular_Weight	353.8
9989237	Undefined_Atom_Stereo_Count	0
59561	Molecular_Weight	218.29
23080901	Hydrogen_Bond_Donor_Count	0
6096206	Molecular_Weight	830.7
6420023	Molecular_Weight	1485.7
104904	Non-hydrogen_Atom_Count	14
35958	Isotope_Atom_Count	0
5611	Undefined_Bond_Stereo_Count	0
3950	Undefined_Bond_Stereo_Count	0
124085867	Non-hydrogen_Atom_Count	32
893524	Undefined_Atom_Stereo_Count	0
62660	TPSA	26.3
23279316	Exact_Mass	115.038176411
9953205	Isotope_Atom_Count	0
3323161	Mono_Isotopic_Weight	99.068413911
15633846	Undefined_Bond_Stereo_Count	0
20220664	Hydrogen_Bond_Acceptor_Count	2
139584807	Isotope_Atom_Count	0
146474222	Exact_Mass	114.068079557
90658992	Covalent_Unit_Count	1
58387740	Covalent_Unit_Count	1
53316394	Hydrogen_Bond_Acceptor_Count	3
5464253	Molecular_Weight	357.35
21136466	Non-hydrogen_Atom_Count	8
2977	Non-hydrogen_Atom_Count	23
49426	Hydrogen_Bond_Donor_Count	1
40470	Defined_Atom_Stereo_Count	0
140560	Mono_Isotopic_Weight	79.042199164
201538	Mono_Isotopic_Weight	463.2489364
82982	Molecular_Weight	572.6
137909	Defined_Bond_Stereo_Count	0
4630917	Covalent_Unit_Count	1
6433115	XLogP3-AA	2.9
317883	Structure_Complexity	679
19066	Defined_Atom_Stereo_Count	0
17190	Mono_Isotopic_Weight	268.09602564
32281	Defined_Bond_Stereo_Count	0
4928	Hydrogen_Bond_Acceptor_Count	6
297618	Undefined_Atom_Stereo_Count	2
39688	Undefined_Atom_Stereo_Count	0
11693901	Isotope_Atom_Count	0
99764	Rotatable_Bond_Count	0
14585548	Covalent_Unit_Count	1
71588332	Undefined_Atom_Stereo_Count	1
98048102	Isotope_Atom_Count	0
6400271	Structure_Complexity	228
91276	Defined_Bond_Stereo_Count	0
90957864	Total_Formal_Charge	0
21932803	Exact_Mass	121.03884512
64965	Isotope_Atom_Count	0
12444324	Structure_Complexity	188
135421124	Mono_Isotopic_Weight	339.98474
11347535	Hydrogen_Bond_Donor_Count	2
54789	Exact_Mass	202.0872908
92043424	Hydrogen_Bond_Acceptor_Count	50
23057	Defined_Atom_Stereo_Count	0
7566944	Exact_Mass	342.11621151
2146	Isotope_Atom_Count	0
36975	Undefined_Atom_Stereo_Count	1
159982	Molecular_Weight	394.4
92132419	Non-hydrogen_Atom_Count	23
102109	Hydrogen_Bond_Acceptor_Count	1
135413534	Defined_Atom_Stereo_Count	1
59324	Hydrogen_Bond_Donor_Count	2
69462477	Structure_Complexity	76.8
55752	Exact_Mass	440.22459745
139593369	Non-hydrogen_Atom_Count	50
15595455	Undefined_Bond_Stereo_Count	0
28486	Defined_Bond_Stereo_Count	0
208954	Hydrogen_Bond_Acceptor_Count	6
97836	Defined_Bond_Stereo_Count	0
2724103	Structure_Complexity	112
5169	Non-hydrogen_Atom_Count	25
107250	Hydrogen_Bond_Acceptor_Count	3
74839	Hydrogen_Bond_Donor_Count	2
65726	Covalent_Unit_Count	1
99963	Isotope_Atom_Count	0
96299	Defined_Bond_Stereo_Count	0
21966525	TPSA	38.7
112322	Defined_Atom_Stereo_Count	0
66204	Rotatable_Bond_Count	0
139587322	Hydrogen_Bond_Donor_Count	2
73680	Mono_Isotopic_Weight	669.06554367
14523561	Rotatable_Bond_Count	9
4101	Mono_Isotopic_Weight	140.106196400
721436	Defined_Bond_Stereo_Count	0
17142	Isotope_Atom_Count	0
123381573	Mono_Isotopic_Weight	86.048012819
8013	Isotope_Atom_Count	0
12950121	Covalent_Unit_Count	1
2723770	Non-hydrogen_Atom_Count	8
817383	Defined_Bond_Stereo_Count	0
145520	Total_Formal_Charge	0
107760	Non-hydrogen_Atom_Count	31
55472	Hydrogen_Bond_Acceptor_Count	16
88191	Total_Formal_Charge	0
13427979	Hydrogen_Bond_Donor_Count	0
104804	Structure_Complexity	91.5
4409	TPSA	26.3
9906028	Isotope_Atom_Count	0
22608833	Defined_Bond_Stereo_Count	0
182677	Rotatable_Bond_Count	4
1549018	Mono_Isotopic_Weight	164.120115130
11533	Rotatable_Bond_Count	0
3824	Non-hydrogen_Atom_Count	24
54173442	Isotope_Atom_Count	0
751341	Hydrogen_Bond_Acceptor_Count	4
10909617	Isotope_Atom_Count	0
9141	Hydrogen_Bond_Acceptor_Count	1
970	Hydrogen_Bond_Acceptor_Count	5
123570	Defined_Bond_Stereo_Count	0
28145931	Exact_Mass	388.1553704
10953454	Undefined_Atom_Stereo_Count	0
214350	Non-hydrogen_Atom_Count	24
54475034	Undefined_Bond_Stereo_Count	0
18715492	Isotope_Atom_Count	0
4645224	Exact_Mass	165.01878364
15174590	XLogP3-AA	1.4
123134263	Rotatable_Bond_Count	15
53317503	Undefined_Bond_Stereo_Count	0
8562	Hydrogen_Bond_Donor_Count	1
71306823	Covalent_Unit_Count	1
10848	Defined_Bond_Stereo_Count	0
5460263	Undefined_Bond_Stereo_Count	0
13874664	Covalent_Unit_Count	1
83444	Mono_Isotopic_Weight	242.123925117
70693519	Hydrogen_Bond_Acceptor_Count	8
65888	Undefined_Bond_Stereo_Count	0
91664	Structure_Complexity	260
16217634	Molecular_Weight	204.35
56082	XLogP3-AA	3.6
14815775	Structure_Complexity	133
24096961	Molecular_Weight	324.4
10090750	Defined_Atom_Stereo_Count	0
22054617	Undefined_Bond_Stereo_Count	0
5284371	Structure_Complexity	509
51635	Structure_Complexity	277
170563	Molecular_Weight	460.7
65536	Total_Formal_Charge	0
17819	Covalent_Unit_Count	1
90488951	Mono_Isotopic_Weight	788.31632555
11532248	Covalent_Unit_Count	1
90990	Hydrogen_Bond_Donor_Count	0
57082085	Hydrogen_Bond_Acceptor_Count	3
4369034	TPSA	221
66704605	Exact_Mass	98.073164938
442113	Total_Formal_Charge	0
14758064	Undefined_Atom_Stereo_Count	0
23674746	Non-hydrogen_Atom_Count	37
8150	Hydrogen_Bond_Acceptor_Count	3
29051	Exact_Mass	1084.47265329
10476	XLogP3-AA	1.1
94378	Undefined_Bond_Stereo_Count	0
354785	Rotatable_Bond_Count	0
121409291	Total_Formal_Charge	0
53987564	Exact_Mass	117.042593085
137704662	Defined_Bond_Stereo_Count	0
17981364	Molecular_Weight	112.13
2795222	Undefined_Bond_Stereo_Count	0
5460314	Structure_Complexity	631
53316417	Covalent_Unit_Count	2
12830793	XLogP3-AA	1.8
57714	Undefined_Atom_Stereo_Count	1
18704550	Undefined_Atom_Stereo_Count	0
102063302	Molecular_Weight	196.29
23676152	Mono_Isotopic_Weight	248.11368669
45934498	Structure_Complexity	508
13297	Mono_Isotopic_Weight	248.094963011
10715582	Total_Formal_Charge	0
236566	Non-hydrogen_Atom_Count	12
44453778	Exact_Mass	229.110278721
25249	Rotatable_Bond_Count	0
335	Defined_Bond_Stereo_Count	0
101616632	Rotatable_Bond_Count	10
5318386	XLogP3	1.8
859	TPSA	221
90735699	Rotatable_Bond_Count	3
96033	Defined_Atom_Stereo_Count	0
6791	Rotatable_Bond_Count	1
12397138	Undefined_Atom_Stereo_Count	3
191445	TPSA	165
132989384	Isotope_Atom_Count	0
36020	Covalent_Unit_Count	1
12262506	Undefined_Bond_Stereo_Count	0
9799246	Hydrogen_Bond_Donor_Count	0
65718	Total_Formal_Charge	0
55910	Defined_Atom_Stereo_Count	0
76969110	TPSA	355
11178958	Defined_Bond_Stereo_Count	1
447534	Molecular_Weight	229.17
6975516	Total_Formal_Charge	0
129859529	XLogP3-AA	0
137031	Defined_Bond_Stereo_Count	0
46933	Molecular_Weight	420.27
44408641	Hydrogen_Bond_Donor_Count	2
134664	XLogP3-AA	1.9
677105	Non-hydrogen_Atom_Count	19
5343	XLogP3-AA	1.2
59596	Hydrogen_Bond_Donor_Count	1
918412	Defined_Bond_Stereo_Count	0
587311	Defined_Atom_Stereo_Count	0
21124737	Non-hydrogen_Atom_Count	27
94010	XLogP3-AA	15.9
54680675	TPSA	188
25129041	Structure_Complexity	756
22611874	Total_Formal_Charge	0
24865620	XLogP3-AA	5.9
509554	Hydrogen_Bond_Acceptor_Count	5
34208	Non-hydrogen_Atom_Count	20
64832	Total_Formal_Charge	0
25067411	Covalent_Unit_Count	1
14930278	Exact_Mass	431.07575
49831162	Rotatable_Bond_Count	6
22833454	Covalent_Unit_Count	1
68740500	Structure_Complexity	248
79037	Isotope_Atom_Count	0
15413	Undefined_Bond_Stereo_Count	0
22697	Defined_Atom_Stereo_Count	0
23366185	Rotatable_Bond_Count	2
129801132	Isotope_Atom_Count	0
23674739	Undefined_Bond_Stereo_Count	0
51504	Rotatable_Bond_Count	10
49787489	Exact_Mass	220.13757671
6419807	Rotatable_Bond_Count	3
81981	Tautomer_Count	1
87081618	Non-hydrogen_Atom_Count	10
139024271	Undefined_Bond_Stereo_Count	0
11829	Undefined_Bond_Stereo_Count	0
42552662	Non-hydrogen_Atom_Count	23
91196148	Mono_Isotopic_Weight	1201.84136802
5364448	Tautomer_Count	1
71337442	Covalent_Unit_Count	1
616642	Defined_Atom_Stereo_Count	0
93860	Molecular_Weight	384.2
70276605	Rotatable_Bond_Count	6
56436	TPSA	45.2
2723800	Mono_Isotopic_Weight	350.1298243
122162	Tautomer_Count	2
85693614	Molecular_Weight	117.15
9799518	Hydrogen_Bond_Acceptor_Count	3
21951	Molecular_Weight	171.65
25253556	Tautomer_Count	2
84461	Tautomer_Count	2
233707	Rotatable_Bond_Count	1
96380	Defined_Atom_Stereo_Count	0
563049	Hydrogen_Bond_Donor_Count	2
9825149	Defined_Bond_Stereo_Count	0
9862	Molecular_Weight	126.20
40308	Defined_Bond_Stereo_Count	0
148763531	Covalent_Unit_Count	1
91908	Isotope_Atom_Count	0
46216142	Hydrogen_Bond_Acceptor_Count	8
43454	Hydrogen_Bond_Acceptor_Count	3
46202081	Non-hydrogen_Atom_Count	32
17945002	Total_Formal_Charge	0
25023853	Exact_Mass	385.215412493
94175	Molecular_Weight	324.4
9794	Undefined_Bond_Stereo_Count	0
557816	Undefined_Atom_Stereo_Count	1
9903291	Non-hydrogen_Atom_Count	16
54099616	Total_Formal_Charge	0
2723755	Rotatable_Bond_Count	1
124081056	Hydrogen_Bond_Acceptor_Count	5
17019	Hydrogen_Bond_Acceptor_Count	0
502272	Tautomer_Count	4
155340720	Undefined_Atom_Stereo_Count	2
23661014	Defined_Bond_Stereo_Count	0
45285	Non-hydrogen_Atom_Count	20
19708414	Defined_Atom_Stereo_Count	0
54152337	Mono_Isotopic_Weight	358.1183161
89359	Molecular_Weight	220.22
103392307	Defined_Bond_Stereo_Count	0
53316381	TPSA	32.3
11553983	Hydrogen_Bond_Donor_Count	1
13618050	XLogP3-AA	0.5
23688976	Non-hydrogen_Atom_Count	14
319715	Mono_Isotopic_Weight	239.07937252
53316383	Isotope_Atom_Count	0
27622	Non-hydrogen_Atom_Count	11
135430945	Total_Formal_Charge	0
11832956	Rotatable_Bond_Count	0
43032	Hydrogen_Bond_Acceptor_Count	3
52950127	Covalent_Unit_Count	1
6562	Undefined_Bond_Stereo_Count	0
91686	Hydrogen_Bond_Donor_Count	0
2995	Isotope_Atom_Count	0
9020	Total_Formal_Charge	0
49865919	Undefined_Atom_Stereo_Count	0
71720884	Rotatable_Bond_Count	4
20067321	Defined_Bond_Stereo_Count	0
87532	Defined_Atom_Stereo_Count	0
63088	Exact_Mass	325.880439
10087998	XLogP3	3.5
6918224	Structure_Complexity	615
5280757	Molecular_Weight	905.0
85605344	Covalent_Unit_Count	1
736351	Defined_Bond_Stereo_Count	0
94459	Defined_Atom_Stereo_Count	0
165157	Non-hydrogen_Atom_Count	62
2814	Defined_Atom_Stereo_Count	0
69347980	Exact_Mass	476.1633482
5284503	Hydrogen_Bond_Acceptor_Count	1
9589606	Hydrogen_Bond_Acceptor_Count	5
131954609	Total_Formal_Charge	0
6196	Structure_Complexity	681
968645	Rotatable_Bond_Count	3
9898	Total_Formal_Charge	0
10129	Covalent_Unit_Count	1
10369242	TPSA	147
117	Covalent_Unit_Count	1
39860873	Isotope_Atom_Count	0
67465	Hydrogen_Bond_Donor_Count	1
90936519	Hydrogen_Bond_Donor_Count	5
4840	Isotope_Atom_Count	0
22718889	Isotope_Atom_Count	0
5362119	Tautomer_Count	1
13184286	Exact_Mass	108.057514874
79688	Hydrogen_Bond_Acceptor_Count	1
260708	Rotatable_Bond_Count	1
254139	Mono_Isotopic_Weight	265.85780
75516	Undefined_Atom_Stereo_Count	0
124745612	Total_Formal_Charge	0
134692189	Hydrogen_Bond_Donor_Count	3
408763	Isotope_Atom_Count	0
74746	Covalent_Unit_Count	1
522996	Hydrogen_Bond_Acceptor_Count	0
4333	Undefined_Atom_Stereo_Count	2
41211	Non-hydrogen_Atom_Count	23
101526	Hydrogen_Bond_Donor_Count	3
5787	Tautomer_Count	1
11477180	Mono_Isotopic_Weight	480.1483669
3413668	XLogP3-AA	5
5281878	Exact_Mass	434.16396908
70989	Exact_Mass	173.084063974
74168	Structure_Complexity	67.4
8875	Total_Formal_Charge	0
138991760	Rotatable_Bond_Count	9
81850	Undefined_Atom_Stereo_Count	0
320930	Total_Formal_Charge	0
21680	Rotatable_Bond_Count	1
17880	Isotope_Atom_Count	0
2771919	Defined_Atom_Stereo_Count	0
335	TPSA	20.2
12933420	Rotatable_Bond_Count	0
4033	Hydrogen_Bond_Acceptor_Count	1
69828	Undefined_Bond_Stereo_Count	0
9883915	Exact_Mass	328.240230259
12318923	Defined_Atom_Stereo_Count	0
84020527	TPSA	20.3
36183	Non-hydrogen_Atom_Count	32
87595700	Hydrogen_Bond_Acceptor_Count	2
129747104	Rotatable_Bond_Count	2
139134	Mono_Isotopic_Weight	105.032697108
59281	Defined_Bond_Stereo_Count	0
59664	Undefined_Bond_Stereo_Count	0
1343	Molecular_Weight	226.19
5769	Rotatable_Bond_Count	4
73162904	Non-hydrogen_Atom_Count	21
6546	Isotope_Atom_Count	0
13543311	Isotope_Atom_Count	0
3714	Structure_Complexity	700
6917831	Hydrogen_Bond_Acceptor_Count	9
2723721	Hydrogen_Bond_Donor_Count	2
9831414	Defined_Bond_Stereo_Count	11
75240	Mono_Isotopic_Weight	158.084398327
45358511	Molecular_Weight	620.6
137704528	Molecular_Weight	843.1
314	Molecular_Weight	323.20
130515614	Molecular_Weight	110.15
26130	Mono_Isotopic_Weight	139.026943022
2734228	Defined_Bond_Stereo_Count	0
135400471	Mono_Isotopic_Weight	241.085126602
424353	TPSA	58.2
9985579	Defined_Bond_Stereo_Count	0
118701651	Rotatable_Bond_Count	10
135887820	Structure_Complexity	1730
58817179	Structure_Complexity	267
17832308	Hydrogen_Bond_Donor_Count	1
4279	Exact_Mass	344.352854710
83774	Tautomer_Count	1
9483	Exact_Mass	187.02449824
107646	Defined_Bond_Stereo_Count	0
25849	Rotatable_Bond_Count	5
43818	Defined_Atom_Stereo_Count	0
66624283	Undefined_Atom_Stereo_Count	0
520277	Undefined_Atom_Stereo_Count	0
9960569	Hydrogen_Bond_Donor_Count	2
162681	Hydrogen_Bond_Donor_Count	3
17074527	Non-hydrogen_Atom_Count	8
6227	Tautomer_Count	1
105746	Total_Formal_Charge	0
5290	Total_Formal_Charge	0
24004	Isotope_Atom_Count	0
12885790	Structure_Complexity	101
9548637	Structure_Complexity	496
156580566	Rotatable_Bond_Count	10
104794	Isotope_Atom_Count	0
43838	Hydrogen_Bond_Acceptor_Count	3
135436533	TPSA	108
556371	Isotope_Atom_Count	0
123462301	Covalent_Unit_Count	1
19989301	Defined_Bond_Stereo_Count	0
58024981	Mono_Isotopic_Weight	113.058911855
3922	Total_Formal_Charge	0
37720	Non-hydrogen_Atom_Count	35
520383	Mono_Isotopic_Weight	204.187800766
449293	Total_Formal_Charge	0
31336	Structure_Complexity	575
75269	Mono_Isotopic_Weight	88.016043985
57563	Hydrogen_Bond_Acceptor_Count	3
5238474	Defined_Atom_Stereo_Count	0
25110841	Rotatable_Bond_Count	9
65940	Isotope_Atom_Count	0
21020205	Mono_Isotopic_Weight	99.9715923
13652129	Isotope_Atom_Count	0
247839	Tautomer_Count	15
9887712	TPSA	99.4
58513815	Structure_Complexity	70.1
37918	Rotatable_Bond_Count	4
10214	Rotatable_Bond_Count	8
71306404	Structure_Complexity	14000
94301	Total_Formal_Charge	0
64953	Hydrogen_Bond_Acceptor_Count	9
88789571	Hydrogen_Bond_Acceptor_Count	1
124504488	Hydrogen_Bond_Acceptor_Count	11
20561716	Covalent_Unit_Count	1
18360	Defined_Atom_Stereo_Count	0
44562468	Isotope_Atom_Count	0
21749233	Hydrogen_Bond_Donor_Count	3
2750	Mono_Isotopic_Weight	333.13986477
126968519	Defined_Bond_Stereo_Count	0
45511	Mono_Isotopic_Weight	430.2387061
455742	Hydrogen_Bond_Acceptor_Count	12
23665731	Isotope_Atom_Count	0
25202509	Defined_Bond_Stereo_Count	0
501640	Undefined_Atom_Stereo_Count	0
12626561	Mono_Isotopic_Weight	273.03644
11641	Structure_Complexity	10.3
99516	Undefined_Bond_Stereo_Count	0
23663412	Structure_Complexity	819
7020094	Non-hydrogen_Atom_Count	19
6918309	Defined_Bond_Stereo_Count	1
10011877	Undefined_Bond_Stereo_Count	0
19571	Total_Formal_Charge	0
95162564	Defined_Bond_Stereo_Count	0
17162	XLogP3-AA	2.9
31307	XLogP3	1.2
36829	Tautomer_Count	1
107782	Hydrogen_Bond_Donor_Count	4
10702	Total_Formal_Charge	0
137685	Hydrogen_Bond_Donor_Count	0
3716002	Total_Formal_Charge	0
4195974	Hydrogen_Bond_Acceptor_Count	3
23077956	Mono_Isotopic_Weight	114.05416083
11909	Covalent_Unit_Count	1
53420035	Rotatable_Bond_Count	0
20297545	Isotope_Atom_Count	0
121192	Rotatable_Bond_Count	0
5475462	Isotope_Atom_Count	0
497266	Total_Formal_Charge	0
8020	Structure_Complexity	12.4
60196305	Non-hydrogen_Atom_Count	25
1731	Hydrogen_Bond_Donor_Count	2
20980871	Defined_Bond_Stereo_Count	0
146222	Undefined_Atom_Stereo_Count	0
2336	Total_Formal_Charge	0
4394	XLogP3-AA	2.5
10141	XLogP3-AA	1.8
25162926	Undefined_Atom_Stereo_Count	0
18467	Total_Formal_Charge	0
17753851	Covalent_Unit_Count	1
10796722	Molecular_Weight	114.19
13751953	Mono_Isotopic_Weight	108.032362755
89351	XLogP3-AA	2.1
156617950	Undefined_Atom_Stereo_Count	0
6267	Hydrogen_Bond_Acceptor_Count	4
11344002	Defined_Bond_Stereo_Count	0
159871	Undefined_Atom_Stereo_Count	1
23672293	Hydrogen_Bond_Acceptor_Count	2
89728	Isotope_Atom_Count	0
129651092	Exact_Mass	551.0560847
21702822	Hydrogen_Bond_Acceptor_Count	1
49865783	Hydrogen_Bond_Acceptor_Count	2
135565903	Rotatable_Bond_Count	2
160138	Rotatable_Bond_Count	2
403661	XLogP3-AA	5.1
442504	Hydrogen_Bond_Donor_Count	0
657014	Rotatable_Bond_Count	0
21611	Hydrogen_Bond_Acceptor_Count	2
2947	Hydrogen_Bond_Acceptor_Count	3
3050432	XLogP3-AA	2.9
53320156	Hydrogen_Bond_Acceptor_Count	5
86435	Undefined_Bond_Stereo_Count	0
519907	Covalent_Unit_Count	1
25749227	Undefined_Bond_Stereo_Count	0
167659	Molecular_Weight	172.15
9841972	Structure_Complexity	401
67569543	Undefined_Atom_Stereo_Count	0
6438361	Hydrogen_Bond_Donor_Count	2
82875	Defined_Atom_Stereo_Count	0
132992789	Total_Formal_Charge	0
18999	XLogP3	0.9
19425	Undefined_Bond_Stereo_Count	0
92921	Exact_Mass	390.18425212
60820	Undefined_Atom_Stereo_Count	0
12656145	XLogP3-AA	2
57358267	Mono_Isotopic_Weight	279.0428987
13000143	Structure_Complexity	15.5
11876263	Molecular_Weight	414.6
3035905	Undefined_Atom_Stereo_Count	0
25116	Structure_Complexity	251
1570	Total_Formal_Charge	0
178080	Molecular_Weight	361.4
1643	Undefined_Bond_Stereo_Count	0
6700	Structure_Complexity	783
60198	Isotope_Atom_Count	0
8157	Defined_Atom_Stereo_Count	0
15559311	Isotope_Atom_Count	0
963389	XLogP3-AA	4.6
12024	Rotatable_Bond_Count	0
44158859	Structure_Complexity	181
84921	TPSA	20.3
7792	Hydrogen_Bond_Donor_Count	1
6540262	Hydrogen_Bond_Acceptor_Count	2
67258902	Isotope_Atom_Count	0
57459753	Structure_Complexity	115
1242	Hydrogen_Bond_Donor_Count	3
5370325	Undefined_Bond_Stereo_Count	0
11265	TPSA	17.1
69462056	Non-hydrogen_Atom_Count	8
83909	Molecular_Weight	360.3
12504793	TPSA	20.2
54419	Molecular_Weight	255.31
6505803	XLogP3-AA	2.6
11857377	Structure_Complexity	313
135472946	Undefined_Atom_Stereo_Count	0
139124600	Isotope_Atom_Count	0
702289	Isotope_Atom_Count	0
838868	Mono_Isotopic_Weight	187.063328530
4662	Hydrogen_Bond_Donor_Count	7
73441	Rotatable_Bond_Count	1
11235541	Molecular_Weight	422.4
22036716	Covalent_Unit_Count	1
198253	Undefined_Atom_Stereo_Count	0
134688043	Hydrogen_Bond_Acceptor_Count	12
9570376	Non-hydrogen_Atom_Count	5
4955	Undefined_Bond_Stereo_Count	2
9841972	Undefined_Atom_Stereo_Count	0
56224	Defined_Atom_Stereo_Count	0
77388	Non-hydrogen_Atom_Count	22
12542141	Defined_Atom_Stereo_Count	0
8076	Defined_Bond_Stereo_Count	0
6659	Isotope_Atom_Count	0
2762	Rotatable_Bond_Count	2
28780	Tautomer_Count	6
7756	Molecular_Weight	115.17
5497163	Isotope_Atom_Count	0
3050433	XLogP3	1.5
291133	Hydrogen_Bond_Acceptor_Count	3
443946	Exact_Mass	794.44525677
87468707	Covalent_Unit_Count	1
2608576	Non-hydrogen_Atom_Count	22
10958189	Undefined_Bond_Stereo_Count	0
69763756	Defined_Bond_Stereo_Count	0
90348212	Rotatable_Bond_Count	0
15396543	Isotope_Atom_Count	0
158144361	Hydrogen_Bond_Acceptor_Count	2
24839546	Total_Formal_Charge	0
85875	Hydrogen_Bond_Acceptor_Count	3
44310781	Non-hydrogen_Atom_Count	27
3777	Covalent_Unit_Count	1
61235	Covalent_Unit_Count	1
84589	Rotatable_Bond_Count	15
25381	Total_Formal_Charge	0
123519331	Hydrogen_Bond_Donor_Count	1
23688461	Rotatable_Bond_Count	0
129873330	Covalent_Unit_Count	1
12310948	Hydrogen_Bond_Donor_Count	0
11953897	Tautomer_Count	105
155774	Total_Formal_Charge	0
84599	Undefined_Bond_Stereo_Count	0
1796220	Hydrogen_Bond_Acceptor_Count	0
100030	Exact_Mass	112.052429494
6451	Covalent_Unit_Count	1
89976681	Defined_Bond_Stereo_Count	0
25203894	Mono_Isotopic_Weight	682.11214
118855910	Structure_Complexity	151
44395051	Mono_Isotopic_Weight	530.30053910
20134527	Hydrogen_Bond_Donor_Count	0
54033586	Defined_Atom_Stereo_Count	0
25245437	Covalent_Unit_Count	1
627816	Structure_Complexity	466
12555225	Structure_Complexity	72.5
19868281	Hydrogen_Bond_Donor_Count	2
11903	Defined_Bond_Stereo_Count	0
20681276	Undefined_Atom_Stereo_Count	0
122130387	Mono_Isotopic_Weight	718.15338487
10938769	Undefined_Atom_Stereo_Count	0
9447	TPSA	57.5
102102069	Defined_Atom_Stereo_Count	0
102131130	Hydrogen_Bond_Donor_Count	1
2777182	Structure_Complexity	110
12452576	Undefined_Atom_Stereo_Count	0
20782688	Structure_Complexity	85.8
550814	Mono_Isotopic_Weight	116.083729621
5459958	Structure_Complexity	136
594781	Non-hydrogen_Atom_Count	12
2833	Hydrogen_Bond_Acceptor_Count	6
88064	Defined_Bond_Stereo_Count	0
10902	Non-hydrogen_Atom_Count	4
134990043	Exact_Mass	99.02327524
122004	Isotope_Atom_Count	0
59058905	Molecular_Weight	112.09
481	Molecular_Weight	260.14
5282384	Structure_Complexity	653
7752	Defined_Bond_Stereo_Count	0
34231	XLogP3-AA	2.3
2405	Isotope_Atom_Count	0
10231	Isotope_Atom_Count	0
21075	Isotope_Atom_Count	0
71409757	Rotatable_Bond_Count	1
5311169	Undefined_Bond_Stereo_Count	0
30177	Total_Formal_Charge	0
66110	Structure_Complexity	28.4
10265934	Rotatable_Bond_Count	3
816	Covalent_Unit_Count	1
6433396	Hydrogen_Bond_Acceptor_Count	4
83969	Structure_Complexity	353
98282	Tautomer_Count	3
5282547	Hydrogen_Bond_Donor_Count	1
145994872	Hydrogen_Bond_Donor_Count	2
6273	Hydrogen_Bond_Donor_Count	0
9913	Tautomer_Count	1
23971	Hydrogen_Bond_Acceptor_Count	0
90098	Rotatable_Bond_Count	8
22954661	Non-hydrogen_Atom_Count	7
237546	Defined_Bond_Stereo_Count	0
644078	Total_Formal_Charge	0
12344	Mono_Isotopic_Weight	130.099379685
12579106	Hydrogen_Bond_Donor_Count	1
11393	Molecular_Weight	186.21
89143843	Mono_Isotopic_Weight	110.084398327
10271170	Hydrogen_Bond_Donor_Count	2
18710462	Total_Formal_Charge	0
51947	Molecular_Weight	377.27
9426	Tautomer_Count	1
10403199	Hydrogen_Bond_Donor_Count	1
6433101	Isotope_Atom_Count	0
16584	Total_Formal_Charge	0
73246	TPSA	183
696858	Exact_Mass	334.14297583
121719	Tautomer_Count	2
5361467	Non-hydrogen_Atom_Count	35
54584258	Hydrogen_Bond_Donor_Count	0
91468768	Undefined_Atom_Stereo_Count	5
92908	Exact_Mass	783.67333
5225	Exact_Mass	420.09912215
22157803	Structure_Complexity	109
439051	Non-hydrogen_Atom_Count	18
49858374	Defined_Atom_Stereo_Count	0
77196	XLogP3-AA	3
134688588	Exact_Mass	373.22530847
41968	Isotope_Atom_Count	0
83966	Undefined_Atom_Stereo_Count	0
24200857	Undefined_Atom_Stereo_Count	0
4890	Molecular_Weight	324.8
690730	Structure_Complexity	210
2846	Undefined_Atom_Stereo_Count	5
16129682	Hydrogen_Bond_Acceptor_Count	62
4402710	Mono_Isotopic_Weight	178.050418117
55288974	Defined_Atom_Stereo_Count	0
46916	Molecular_Weight	270.35
54760133	Hydrogen_Bond_Acceptor_Count	7
62881	TPSA	269
4146595	Structure_Complexity	169
14712340	XLogP3-AA	1.2
67598	Hydrogen_Bond_Donor_Count	0
135445761	Undefined_Bond_Stereo_Count	0
38286	TPSA	76.3
127909	Total_Formal_Charge	0
12363650	Molecular_Weight	115.09
53260965	Hydrogen_Bond_Donor_Count	1
146159199	Non-hydrogen_Atom_Count	36
76223445	TPSA	26
17807258	Molecular_Weight	113.08
51921	Non-hydrogen_Atom_Count	20
5281104	TPSA	60.7
138108	Undefined_Atom_Stereo_Count	0
21924633	Hydrogen_Bond_Acceptor_Count	1
516871	Tautomer_Count	1
19043571	XLogP3-AA	0.3
6809	Hydrogen_Bond_Donor_Count	1
84975	Tautomer_Count	1
10438	Rotatable_Bond_Count	2
3050408	Mono_Isotopic_Weight	457.05554083
20592404	Undefined_Bond_Stereo_Count	0
30951	XLogP3	2.5
104827	Rotatable_Bond_Count	1
68215184	Covalent_Unit_Count	1
9830615	Structure_Complexity	1060
11951726	Non-hydrogen_Atom_Count	27
65127	Defined_Bond_Stereo_Count	0
126969097	Non-hydrogen_Atom_Count	58
5251896	Rotatable_Bond_Count	3
3781	Hydrogen_Bond_Acceptor_Count	4
66509091	Defined_Atom_Stereo_Count	21
33420	Hydrogen_Bond_Acceptor_Count	5
308140	Exact_Mass	374.07903816
178787	Hydrogen_Bond_Donor_Count	3
84552	Non-hydrogen_Atom_Count	6
519103	Total_Formal_Charge	0
36978	Structure_Complexity	340
31716	Defined_Atom_Stereo_Count	0
5939	Non-hydrogen_Atom_Count	7
610479	Defined_Atom_Stereo_Count	0
10092649	Undefined_Atom_Stereo_Count	0
36584	Rotatable_Bond_Count	5
96291	Structure_Complexity	86.9
38970	Isotope_Atom_Count	0
441325	TPSA	42.7
13642201	Defined_Bond_Stereo_Count	0
10754	Hydrogen_Bond_Donor_Count	4
12278548	Exact_Mass	111.079647300
22833466	Rotatable_Bond_Count	7
32040	Exact_Mass	157.110278721
650201	Molecular_Weight	395.5
5459830	Undefined_Bond_Stereo_Count	0
3814	Isotope_Atom_Count	0
15550385	Structure_Complexity	362
1333	Undefined_Bond_Stereo_Count	0
1858	Hydrogen_Bond_Donor_Count	2
66257	Total_Formal_Charge	0
96327588	Exact_Mass	527.23263824
45046073	Covalent_Unit_Count	4
71307	Undefined_Bond_Stereo_Count	0
86811213	Tautomer_Count	1
20056440	Structure_Complexity	702
15208558	Hydrogen_Bond_Acceptor_Count	1
5709	Total_Formal_Charge	0
347476	Covalent_Unit_Count	1
19241	Tautomer_Count	1
2714	Isotope_Atom_Count	0
9547	Mono_Isotopic_Weight	174.141993387
11576068	Hydrogen_Bond_Acceptor_Count	4
32176	Isotope_Atom_Count	0
1761	Undefined_Bond_Stereo_Count	0
34744	Molecular_Weight	116.16
17914258	Hydrogen_Bond_Acceptor_Count	2
106228050	Rotatable_Bond_Count	2
19041912	Total_Formal_Charge	0
6438149	Hydrogen_Bond_Acceptor_Count	6
108092	Rotatable_Bond_Count	8
120507	Undefined_Atom_Stereo_Count	0
15634681	Hydrogen_Bond_Donor_Count	1
18947655	Defined_Atom_Stereo_Count	0
53880	XLogP3-AA	4.2
9883778	Hydrogen_Bond_Donor_Count	2
441404	Structure_Complexity	732
6160	Tautomer_Count	2
93055	Hydrogen_Bond_Donor_Count	2
10220256	Non-hydrogen_Atom_Count	17
9116	Defined_Atom_Stereo_Count	0
136257761	Defined_Atom_Stereo_Count	0
44205240	Defined_Bond_Stereo_Count	0
8791	Undefined_Bond_Stereo_Count	0
1289	Total_Formal_Charge	0
127054492	Isotope_Atom_Count	0
25191022	Non-hydrogen_Atom_Count	36
26398	Molecular_Weight	251.11
5590	Defined_Bond_Stereo_Count	0
4917	Rotatable_Bond_Count	4
59269569	Hydrogen_Bond_Donor_Count	0
13808253	Exact_Mass	100.052429494
47660	Structure_Complexity	437
61119	Rotatable_Bond_Count	5
5197257	Undefined_Bond_Stereo_Count	0
57551933	Mono_Isotopic_Weight	114.104465066
6371	Hydrogen_Bond_Acceptor_Count	1
156591873	Non-hydrogen_Atom_Count	45
63390	Mono_Isotopic_Weight	295.168462302
17845026	Undefined_Atom_Stereo_Count	0
135400184	TPSA	106
160876	Undefined_Atom_Stereo_Count	0
637090	Hydrogen_Bond_Donor_Count	1
12409173	Undefined_Atom_Stereo_Count	0
87700	Hydrogen_Bond_Acceptor_Count	3
14892	Defined_Atom_Stereo_Count	2
118574	Defined_Atom_Stereo_Count	0
39727	Exact_Mass	251.9744848
68352	Hydrogen_Bond_Acceptor_Count	2
4343483	Molecular_Weight	109.80
264	Rotatable_Bond_Count	2
72452	Mono_Isotopic_Weight	460.22496886
574516	Molecular_Weight	301.82
53734710	Undefined_Bond_Stereo_Count	0
9547196	Defined_Bond_Stereo_Count	0
138477	Exact_Mass	146.059246208
5702031	TPSA	46.3
11409	Undefined_Atom_Stereo_Count	0
23666456	Defined_Atom_Stereo_Count	0
3679	Rotatable_Bond_Count	8
3433	Molecular_Weight	260.25
8056	Structure_Complexity	17.5
10742787	Undefined_Bond_Stereo_Count	0
20514191	Undefined_Atom_Stereo_Count	2
71072115	Hydrogen_Bond_Donor_Count	1
85906	Undefined_Bond_Stereo_Count	0
8434	Defined_Bond_Stereo_Count	0
21675743	Covalent_Unit_Count	1
14804729	Hydrogen_Bond_Acceptor_Count	3
11197931	Hydrogen_Bond_Donor_Count	2
78485	Total_Formal_Charge	0
17218	Molecular_Weight	256.5
21162824	Undefined_Bond_Stereo_Count	0
102513886	Isotope_Atom_Count	0
145705672	Rotatable_Bond_Count	10
17352	Exact_Mass	71.073499291
5281807	Defined_Bond_Stereo_Count	0
20216719	Exact_Mass	116.02219199
134694738	Hydrogen_Bond_Acceptor_Count	12
134826477	Structure_Complexity	1180
90311989	Defined_Bond_Stereo_Count	0
13930075	Molecular_Weight	113.16
23625548	Defined_Bond_Stereo_Count	1
136582	Rotatable_Bond_Count	2
101687487	Hydrogen_Bond_Acceptor_Count	1
1251	Molecular_Weight	312.4
50989726	Mono_Isotopic_Weight	97.089149355
3851247	Rotatable_Bond_Count	16
705645	Hydrogen_Bond_Donor_Count	1
77807	Defined_Bond_Stereo_Count	0
70819549	Structure_Complexity	383
87161809	Hydrogen_Bond_Donor_Count	1
616632	Undefined_Bond_Stereo_Count	0
5817	Hydrogen_Bond_Donor_Count	1
22181555	Defined_Atom_Stereo_Count	0
13786729	Undefined_Atom_Stereo_Count	0
30493	Isotope_Atom_Count	0
23545554	Defined_Atom_Stereo_Count	0
59059978	Defined_Atom_Stereo_Count	6
10429254	Hydrogen_Bond_Donor_Count	0
44565818	Hydrogen_Bond_Donor_Count	1
137313637	Defined_Atom_Stereo_Count	9
6918130	Exact_Mass	575.33355256
135446210	Structure_Complexity	503
70685495	Defined_Atom_Stereo_Count	3
6426924	Exact_Mass	913.51875607
133676174	Exact_Mass	114.104465066
139079008	Defined_Bond_Stereo_Count	0
81936	Undefined_Atom_Stereo_Count	0
11315	XLogP3	2.9
10332398	Isotope_Atom_Count	0
54587596	Rotatable_Bond_Count	9
7938	Non-hydrogen_Atom_Count	8
615	Non-hydrogen_Atom_Count	14
119921	Undefined_Atom_Stereo_Count	0
52947518	Total_Formal_Charge	0
5314562	Covalent_Unit_Count	1
67960134	Isotope_Atom_Count	0
58506875	Structure_Complexity	414
13029	Mono_Isotopic_Weight	170.0318546
6024	Rotatable_Bond_Count	7
3087722	Isotope_Atom_Count	0
65533	TPSA	157
7407	Defined_Atom_Stereo_Count	0
96780	Tautomer_Count	1
11349000	Exact_Mass	362.12127520
4060	Mono_Isotopic_Weight	218.105527694
1684	Undefined_Bond_Stereo_Count	0
26684	Mono_Isotopic_Weight	310.1248191
24041599	Structure_Complexity	642
102197490	Mono_Isotopic_Weight	1362.64155856
70678590	Covalent_Unit_Count	3
615	Mono_Isotopic_Weight	230.01915430
13658	Defined_Atom_Stereo_Count	0
14484	Undefined_Bond_Stereo_Count	0
21504869	Exact_Mass	114.068079557
96284	Total_Formal_Charge	0
4151	XLogP3	1.8
94459	TPSA	28.2
10271170	Molecular_Weight	380.8
13046623	Undefined_Bond_Stereo_Count	0
68129	Total_Formal_Charge	0
87412180	Molecular_Weight	284.35
58992	Isotope_Atom_Count	0
4462	Hydrogen_Bond_Acceptor_Count	4
3823	Isotope_Atom_Count	0
57330203	Isotope_Atom_Count	0
12905137	Covalent_Unit_Count	1
631468	Undefined_Atom_Stereo_Count	0
11332430	Defined_Atom_Stereo_Count	0
164767	Undefined_Atom_Stereo_Count	0
46244255	Defined_Bond_Stereo_Count	0
852344	Covalent_Unit_Count	1
14160348	Defined_Atom_Stereo_Count	0
62165	Undefined_Bond_Stereo_Count	1
9835049	Undefined_Atom_Stereo_Count	0
88547262	Structure_Complexity	131
49852291	Mono_Isotopic_Weight	412.1764997
444254	Exact_Mass	645.24801352
39793	Hydrogen_Bond_Acceptor_Count	4
23616669	Structure_Complexity	296
4054	Structure_Complexity	240
71587428	Covalent_Unit_Count	5
11235360	Total_Formal_Charge	0
2548	Isotope_Atom_Count	0
565903	Defined_Bond_Stereo_Count	0
6999971	Hydrogen_Bond_Donor_Count	1
44556162	XLogP3-AA	6.2
5311169	Defined_Atom_Stereo_Count	11
21935075	Exact_Mass	275.07964691
94011387	Rotatable_Bond_Count	4
11314197	Hydrogen_Bond_Donor_Count	1
2237	Covalent_Unit_Count	1
16049087	Undefined_Bond_Stereo_Count	0
330654	Rotatable_Bond_Count	1
637540	Hydrogen_Bond_Acceptor_Count	3
544613	Structure_Complexity	98.7
15853020	Non-hydrogen_Atom_Count	8
129653419	Undefined_Atom_Stereo_Count	0
64302	Structure_Complexity	1100
687604	Hydrogen_Bond_Donor_Count	0
4078	Isotope_Atom_Count	0
49597	Molecular_Weight	311.76
135398627	Isotope_Atom_Count	0
8815	Undefined_Atom_Stereo_Count	0
4740700	Mono_Isotopic_Weight	149.060254526
439177	Molecular_Weight	666.6
4912932	Structure_Complexity	127
101835694	Isotope_Atom_Count	0
71449750	Mono_Isotopic_Weight	467.21686904
91992733	Isotope_Atom_Count	0
5562	Mono_Isotopic_Weight	302.16304257
143034	XLogP3-AA	1.9
754219	Tautomer_Count	1
53472683	Defined_Atom_Stereo_Count	1
24144	Hydrogen_Bond_Donor_Count	3
53316474	Rotatable_Bond_Count	7
21139953	XLogP3-AA	4.9
13781592	Defined_Atom_Stereo_Count	0
12579106	Covalent_Unit_Count	1
19756	Mono_Isotopic_Weight	184.063662883
11285588	Mono_Isotopic_Weight	731.30002740
74441087	Total_Formal_Charge	1
856	Mono_Isotopic_Weight	426.386166214
3767	Undefined_Atom_Stereo_Count	0
694728	XLogP3	3
9955116	Non-hydrogen_Atom_Count	32
14228	Defined_Bond_Stereo_Count	0
122198135	Total_Formal_Charge	0
13192	Structure_Complexity	169
120393	Exact_Mass	280.0866221
23716429	Hydrogen_Bond_Donor_Count	1
638055	Isotope_Atom_Count	0
111442	Total_Formal_Charge	0
66687596	Mono_Isotopic_Weight	100.016043985
720637	Undefined_Atom_Stereo_Count	0
4136	Undefined_Bond_Stereo_Count	0
107838	Rotatable_Bond_Count	0
76171	Isotope_Atom_Count	0
25058183	Mono_Isotopic_Weight	370.1327168
57057513	Mono_Isotopic_Weight	112.052429494
130589021	Total_Formal_Charge	0
51003564	Undefined_Atom_Stereo_Count	0
61697	Hydrogen_Bond_Donor_Count	0
54759	Isotope_Atom_Count	0
61012	Molecular_Weight	185.26
12636118	Total_Formal_Charge	0
34051	Rotatable_Bond_Count	3
11859	Covalent_Unit_Count	1
10931390	Exact_Mass	110.073164938
84614	Rotatable_Bond_Count	5
13974331	Exact_Mass	112.052429494
557356	Non-hydrogen_Atom_Count	11
10034579	Undefined_Bond_Stereo_Count	0
17151	Defined_Atom_Stereo_Count	0
5283454	Undefined_Atom_Stereo_Count	0
10927	Molecular_Weight	87.12
3081143	Non-hydrogen_Atom_Count	28
44588964	Undefined_Bond_Stereo_Count	0
141545	Mono_Isotopic_Weight	109.089149355
21284263	Defined_Atom_Stereo_Count	0
62760	Structure_Complexity	2
1083	Molecular_Weight	379.39
9817140	Undefined_Bond_Stereo_Count	0
72764	Hydrogen_Bond_Donor_Count	1
160024	TPSA	111
6064	Structure_Complexity	875
5283292	Tautomer_Count	1
10220511	Rotatable_Bond_Count	0
163050678	Mono_Isotopic_Weight	284.16237386
13165124	TPSA	15.8
21226398	Defined_Atom_Stereo_Count	0
1381	Molecular_Weight	408.39
11974	Exact_Mass	469.97760
35459	Non-hydrogen_Atom_Count	12
144546	Hydrogen_Bond_Acceptor_Count	0
16218641	Defined_Bond_Stereo_Count	0
6889	Exact_Mass	224.94254
7464	Mono_Isotopic_Weight	135.104799419
90479	Covalent_Unit_Count	1
6510	Defined_Atom_Stereo_Count	0
136505	Non-hydrogen_Atom_Count	7
10303030	Structure_Complexity	864
135413546	Defined_Bond_Stereo_Count	1
28554	Non-hydrogen_Atom_Count	19
14022497	Isotope_Atom_Count	0
689750	XLogP3-AA	2.1
123135747	Isotope_Atom_Count	0
5283393	Non-hydrogen_Atom_Count	22
22505735	Exact_Mass	98.084398327
4194	Mono_Isotopic_Weight	883.45654973
59043	Total_Formal_Charge	0
5282350	Rotatable_Bond_Count	9
91994885	Isotope_Atom_Count	0
6405	Molecular_Weight	88.15
135406167	XLogP3	2.3
43471	Exact_Mass	165.078978594
57864687	Defined_Atom_Stereo_Count	0
62670550	Defined_Atom_Stereo_Count	0
22451301	TPSA	73.8
99456	Structure_Complexity	169
6537495	TPSA	82.3
20798667	Hydrogen_Bond_Donor_Count	0
161965	Rotatable_Bond_Count	3
11446301	Molecular_Weight	108.14
75322	Total_Formal_Charge	0
146158693	Total_Formal_Charge	0
6444186	Undefined_Atom_Stereo_Count	2
11778544	Total_Formal_Charge	0
544792	Non-hydrogen_Atom_Count	6
439236	Covalent_Unit_Count	1
638051	XLogP3-AA	2.4
13707	Non-hydrogen_Atom_Count	15
160723	Defined_Bond_Stereo_Count	0
156592459	Exact_Mass	645.31491132
41955	Non-hydrogen_Atom_Count	21
394428	Isotope_Atom_Count	0
25131330	Hydrogen_Bond_Donor_Count	1
23581832	Total_Formal_Charge	1
2724372	Rotatable_Bond_Count	3
16133838	Structure_Complexity	6820
54582513	Hydrogen_Bond_Acceptor_Count	2
22832	Rotatable_Bond_Count	10
45256294	Undefined_Bond_Stereo_Count	0
320055	Non-hydrogen_Atom_Count	8
21553255	Structure_Complexity	76.2
6477182	Structure_Complexity	596
11586735	Rotatable_Bond_Count	3
21030991	XLogP3	0.3
10476254	Structure_Complexity	636
57565697	Defined_Atom_Stereo_Count	0
6433151	Structure_Complexity	368
67108485	Exact_Mass	99.068413911
83270	Molecular_Weight	191.23
54891	Exact_Mass	474.1921498
33360	XLogP3-AA	2.7
443311	Undefined_Atom_Stereo_Count	0
6642	Molecular_Weight	214.28
88155838	XLogP3-AA	5.1
42884	Structure_Complexity	433
188206	TPSA	153
57394711	XLogP3-AA	3.2
3420996	Isotope_Atom_Count	0
163829	Exact_Mass	1392.73362573
59999517	Hydrogen_Bond_Acceptor_Count	2
130271321	XLogP3-AA	0.8
11292	Mono_Isotopic_Weight	323.1189253
429734	Rotatable_Bond_Count	5
98614	XLogP3-AA	1.9
10899	Hydrogen_Bond_Donor_Count	0
89187987	Defined_Atom_Stereo_Count	0
4342487	Rotatable_Bond_Count	3
57915	XLogP3-AA	3.5
294864	Hydrogen_Bond_Acceptor_Count	3
90019226	Mono_Isotopic_Weight	103.063328530
10149311	Total_Formal_Charge	0
20561716	Molecular_Weight	97.08
444041	Covalent_Unit_Count	1
179822	Mono_Isotopic_Weight	403.78292
694638	Exact_Mass	326.12013238
211468	Defined_Bond_Stereo_Count	0
71462631	Undefined_Atom_Stereo_Count	0
91420197	Total_Formal_Charge	0
11737	Isotope_Atom_Count	0
145842551	Total_Formal_Charge	0
6608	Defined_Bond_Stereo_Count	0
57394021	Non-hydrogen_Atom_Count	32
14976610	Mono_Isotopic_Weight	109.089149355
1484500	Total_Formal_Charge	0
165649752	Covalent_Unit_Count	1
656665	TPSA	45.3
5460504	TPSA	0
18728307	Covalent_Unit_Count	1
11705141	Defined_Bond_Stereo_Count	0
77589	Defined_Bond_Stereo_Count	0
5401	Covalent_Unit_Count	1
88533	Tautomer_Count	1
16760390	Non-hydrogen_Atom_Count	7
24901351	Undefined_Atom_Stereo_Count	0
1414	Mono_Isotopic_Weight	280.20384475
141875437	Mono_Isotopic_Weight	112.063662883
16739648	Covalent_Unit_Count	1
141516912	Defined_Bond_Stereo_Count	0
55299847	XLogP3-AA	0.5
20253286	Hydrogen_Bond_Donor_Count	1
101771	Mono_Isotopic_Weight	334.25079494
99058	Molecular_Weight	260.14
443376	Rotatable_Bond_Count	24
20	Covalent_Unit_Count	1
16255105	Undefined_Atom_Stereo_Count	0
76008	Structure_Complexity	57.6
12310714	Hydrogen_Bond_Donor_Count	3
12559270	Undefined_Bond_Stereo_Count	0
59185552	Total_Formal_Charge	0
136634	Undefined_Atom_Stereo_Count	0
71432895	Undefined_Atom_Stereo_Count	0
18781684	Defined_Atom_Stereo_Count	0
63181514	Total_Formal_Charge	0
139059609	Hydrogen_Bond_Donor_Count	4
135753908	Mono_Isotopic_Weight	114.042927438
36982	Undefined_Atom_Stereo_Count	0
150718	Rotatable_Bond_Count	2
60196343	Non-hydrogen_Atom_Count	46
9009	Defined_Bond_Stereo_Count	0
90983133	Structure_Complexity	77.2
94906	Undefined_Atom_Stereo_Count	0
14897383	Exact_Mass	113.047678466
9841075	TPSA	81.8
37463	Structure_Complexity	84.4
3826	Rotatable_Bond_Count	3
24901658	TPSA	134
48011	Rotatable_Bond_Count	12
702015	Defined_Atom_Stereo_Count	0
85689	Undefined_Bond_Stereo_Count	0
61585	TPSA	17.1
6420057	Tautomer_Count	1
3080825	Defined_Bond_Stereo_Count	0
301520	Defined_Bond_Stereo_Count	0
11263471	Undefined_Bond_Stereo_Count	0
443958	Non-hydrogen_Atom_Count	36
797972	Total_Formal_Charge	0
16212746	Defined_Bond_Stereo_Count	0
67175581	Molecular_Weight	99.13
3662	Covalent_Unit_Count	1
31803	Mono_Isotopic_Weight	341.16270821
27278	TPSA	24.4
519418	Mono_Isotopic_Weight	157.0658271
22751786	Defined_Atom_Stereo_Count	0
102334657	Isotope_Atom_Count	0
12310946	Rotatable_Bond_Count	0
8934	Defined_Atom_Stereo_Count	0
65926	Mono_Isotopic_Weight	204.126263138
118924468	Total_Formal_Charge	0
79484	TPSA	57.5
86739665	Covalent_Unit_Count	1
11446361	Hydrogen_Bond_Donor_Count	1
5312	Molecular_Weight	158.15
9784	Hydrogen_Bond_Donor_Count	2
12183049	Defined_Bond_Stereo_Count	0
5284461	Molecular_Weight	466.5
17920260	Hydrogen_Bond_Donor_Count	0
449381	Hydrogen_Bond_Donor_Count	3
5281068	Tautomer_Count	2
10057444	Exact_Mass	86.036779430
68036	Defined_Bond_Stereo_Count	0
135413497	Total_Formal_Charge	0
8534	Rotatable_Bond_Count	1
33741	Total_Formal_Charge	0
8437	Defined_Atom_Stereo_Count	0
14581	Molecular_Weight	199.25
1549045	Defined_Atom_Stereo_Count	0
4536	XLogP3	3
11383075	Undefined_Atom_Stereo_Count	0
15286	Covalent_Unit_Count	1
5288674	XLogP3-AA	2
21030991	Defined_Bond_Stereo_Count	0
99816	TPSA	37.3
20823	Hydrogen_Bond_Donor_Count	1
55889	Undefined_Atom_Stereo_Count	0
18476134	Hydrogen_Bond_Acceptor_Count	3
67698	Defined_Bond_Stereo_Count	0
14294923	Undefined_Atom_Stereo_Count	2
47898	Covalent_Unit_Count	1
22082539	Non-hydrogen_Atom_Count	8
131878633	Covalent_Unit_Count	1
151404	Molecular_Weight	69.06
9989237	Hydrogen_Bond_Acceptor_Count	3
8425	Defined_Atom_Stereo_Count	0
65663	TPSA	97
102488279	Hydrogen_Bond_Donor_Count	0
12218316	Molecular_Weight	287.4
193758	TPSA	107
92626	Undefined_Atom_Stereo_Count	0
31060	Exact_Mass	409.0847635
135499520	Undefined_Bond_Stereo_Count	0
519793	Isotope_Atom_Count	0
9060	Non-hydrogen_Atom_Count	15
10435916	Structure_Complexity	877
139087380	XLogP3-AA	6.8
164700	Exact_Mass	61.052763847
13536814	Undefined_Bond_Stereo_Count	0
20607	Mono_Isotopic_Weight	183.162314293
9570639	Non-hydrogen_Atom_Count	28
129655960	Exact_Mass	594.12225764
12570	Covalent_Unit_Count	1
101589314	Hydrogen_Bond_Acceptor_Count	4
13771069	Defined_Atom_Stereo_Count	0
445715	Covalent_Unit_Count	1
14195	Defined_Bond_Stereo_Count	0
76118117	Non-hydrogen_Atom_Count	8
25072741	Covalent_Unit_Count	1
19027815	TPSA	15.8
146345448	Hydrogen_Bond_Acceptor_Count	3
4712721	Structure_Complexity	206
59883	Hydrogen_Bond_Donor_Count	1
12219387	Mono_Isotopic_Weight	76.0313001276
12248518	Exact_Mass	116.083729621
151170	Rotatable_Bond_Count	5
267769	Hydrogen_Bond_Acceptor_Count	3
57780676	Hydrogen_Bond_Acceptor_Count	2
58079819	Hydrogen_Bond_Donor_Count	1
11988953	Isotope_Atom_Count	0
59295939	Defined_Atom_Stereo_Count	1
11768544	Covalent_Unit_Count	1
2230	Rotatable_Bond_Count	2
217409	XLogP3	2.3
448925	Hydrogen_Bond_Donor_Count	8
454878	Hydrogen_Bond_Donor_Count	6
698931	Isotope_Atom_Count	0
5282449	Isotope_Atom_Count	0
12885796	Mono_Isotopic_Weight	116.120115130
9922708	Total_Formal_Charge	0
84197	Undefined_Atom_Stereo_Count	0
33474	XLogP3-AA	1.8
27567	Total_Formal_Charge	0
442436	Covalent_Unit_Count	1
82167	TPSA	214
136502787	Molecular_Weight	116.07
19594968	Structure_Complexity	31.9
5288588	Hydrogen_Bond_Acceptor_Count	2
673820	Exact_Mass	276.97721
143886	XLogP3-AA	2.7
6437842	Covalent_Unit_Count	1
528411	Structure_Complexity	46.8
10197650	Structure_Complexity	11.1
14770	TPSA	0
3266	Non-hydrogen_Atom_Count	24
91601	Covalent_Unit_Count	1
6442054	Hydrogen_Bond_Donor_Count	1
451239	Undefined_Bond_Stereo_Count	0
93193	Total_Formal_Charge	0
18428363	Defined_Bond_Stereo_Count	0
11719190	Total_Formal_Charge	0
54688706	Total_Formal_Charge	0
642792	TPSA	26.3
2777109	Isotope_Atom_Count	0
54169147	Defined_Atom_Stereo_Count	0
138372	TPSA	42.5
441415	Hydrogen_Bond_Acceptor_Count	4
16130140	Isotope_Atom_Count	0
17336	Mono_Isotopic_Weight	226.09535693
45085421	Non-hydrogen_Atom_Count	8
457825	Structure_Complexity	979
23599753	Total_Formal_Charge	0
96132	Covalent_Unit_Count	1
522769	Isotope_Atom_Count	0
123608	Structure_Complexity	121
12765	Non-hydrogen_Atom_Count	9
45040472	Undefined_Bond_Stereo_Count	0
141352213	Hydrogen_Bond_Donor_Count	0
3047810	XLogP3-AA	2.5
7016	Structure_Complexity	180
191468	Non-hydrogen_Atom_Count	8
67591	Molecular_Weight	180.16
11932	Exact_Mass	284.0847040
61960	Molecular_Weight	374.6
6419108	Defined_Bond_Stereo_Count	0
3639	Undefined_Bond_Stereo_Count	0
44560806	Molecular_Weight	348.4
18952320	Covalent_Unit_Count	1
9954280	Undefined_Atom_Stereo_Count	0
131082430	Covalent_Unit_Count	1
16224	Total_Formal_Charge	0
137530132	Covalent_Unit_Count	1
5281416	Hydrogen_Bond_Donor_Count	2
40467849	Rotatable_Bond_Count	1
163090689	Undefined_Bond_Stereo_Count	0
117265443	Hydrogen_Bond_Donor_Count	0
13348002	Covalent_Unit_Count	1
12240	Undefined_Atom_Stereo_Count	0
3035240	Non-hydrogen_Atom_Count	23
126969014	Non-hydrogen_Atom_Count	52
13087266	Exact_Mass	100.088815002
135455579	Rotatable_Bond_Count	7
6537099	Structure_Complexity	326
96859	Covalent_Unit_Count	1
24785538	Mono_Isotopic_Weight	461.20878459
24721356	Structure_Complexity	2960
89317	Structure_Complexity	187
232446	TPSA	40.5
8713	Mono_Isotopic_Weight	125.02992040
1688	TPSA	32.7
135398701	Rotatable_Bond_Count	4
62583	Tautomer_Count	2
9953887	Isotope_Atom_Count	0
179338	Mono_Isotopic_Weight	511.1584073
71541177	TPSA	90.7
4284331	Non-hydrogen_Atom_Count	31
284980	Mono_Isotopic_Weight	217.9901349
94153	TPSA	84.9
79612800	Exact_Mass	112.052429494
71622	Hydrogen_Bond_Acceptor_Count	6
99416	Exact_Mass	265.14264148
60196413	Defined_Atom_Stereo_Count	0
3815158	Non-hydrogen_Atom_Count	12
142551	Hydrogen_Bond_Acceptor_Count	0
4922	Isotope_Atom_Count	0
65877	Isotope_Atom_Count	0
72823181	Non-hydrogen_Atom_Count	45
7026090	Total_Formal_Charge	0
446807	Rotatable_Bond_Count	3
66559276	Undefined_Bond_Stereo_Count	0
91931778	Mono_Isotopic_Weight	550.17602980
71931	Non-hydrogen_Atom_Count	50
19077486	Defined_Bond_Stereo_Count	0
101998518	Hydrogen_Bond_Donor_Count	1
37610	Covalent_Unit_Count	1
70813	Isotope_Atom_Count	0
12550422	TPSA	17.1
9844833	Molecular_Weight	416.6
10250769	TPSA	127
9207	Tautomer_Count	1
9681	Structure_Complexity	578
7074810	TPSA	74.6
5280784	Covalent_Unit_Count	1
15565412	Undefined_Bond_Stereo_Count	0
6441712	Isotope_Atom_Count	0
44457968	TPSA	84
526950	Undefined_Bond_Stereo_Count	0
124921374	Covalent_Unit_Count	1
129629387	Exact_Mass	342.11621151
142834	Defined_Atom_Stereo_Count	0
130025208	Total_Formal_Charge	0
164575893	Non-hydrogen_Atom_Count	76
25151504	Isotope_Atom_Count	0
216262	Hydrogen_Bond_Donor_Count	5
4202	Rotatable_Bond_Count	2
3644	Rotatable_Bond_Count	3
102004585	Defined_Atom_Stereo_Count	3
56662035	Non-hydrogen_Atom_Count	37
22833326	Hydrogen_Bond_Donor_Count	0
9016	TPSA	18.5
67113727	TPSA	30.3
48622	Hydrogen_Bond_Acceptor_Count	3
17076	Non-hydrogen_Atom_Count	14
2020	Isotope_Atom_Count	0
117957447	Hydrogen_Bond_Donor_Count	2
71764	Molecular_Weight	425.9
448925	TPSA	190
517859	Molecular_Weight	110.15
9862076	Rotatable_Bond_Count	3
6321405	Defined_Bond_Stereo_Count	0
85254	Hydrogen_Bond_Acceptor_Count	4
2076	Isotope_Atom_Count	0
82938	Hydrogen_Bond_Donor_Count	0
61868	XLogP3-AA	0.6
59856471	Total_Formal_Charge	0
131876601	Defined_Bond_Stereo_Count	2
9861	Rotatable_Bond_Count	17
132519	Undefined_Bond_Stereo_Count	0
11862	Hydrogen_Bond_Donor_Count	1
53357478	TPSA	103
18769664	Undefined_Bond_Stereo_Count	0
67105	Undefined_Atom_Stereo_Count	0
7282	Defined_Bond_Stereo_Count	0
24117	Tautomer_Count	1
49858377	Rotatable_Bond_Count	3
16051495	Non-hydrogen_Atom_Count	31
25182616	Isotope_Atom_Count	0
138991760	Non-hydrogen_Atom_Count	38
114809	Hydrogen_Bond_Acceptor_Count	2
5053558	Undefined_Bond_Stereo_Count	0
5121	Isotope_Atom_Count	0
21579161	Isotope_Atom_Count	0
4195974	Rotatable_Bond_Count	2
6059	Exact_Mass	236.246378268
3055168	Covalent_Unit_Count	1
9692	Defined_Bond_Stereo_Count	0
11332503	Molecular_Weight	137.14
17991084	Hydrogen_Bond_Donor_Count	1
9877746	Total_Formal_Charge	0
70299	Molecular_Weight	172.56
151248	Non-hydrogen_Atom_Count	14
167693	Non-hydrogen_Atom_Count	7
70693267	Isotope_Atom_Count	0
21516003	Hydrogen_Bond_Acceptor_Count	2
522693	Exact_Mass	118.099379685
28145921	Rotatable_Bond_Count	9
21590560	Undefined_Atom_Stereo_Count	0
91589206	Molecular_Weight	106.16
76739	Hydrogen_Bond_Donor_Count	0
9892539	Isotope_Atom_Count	0
79809	Defined_Atom_Stereo_Count	0
15130827	Rotatable_Bond_Count	6
71849	Undefined_Atom_Stereo_Count	0
135398561	Tautomer_Count	126
48483	Defined_Bond_Stereo_Count	0
7540	Exact_Mass	310.07588133
22834577	Isotope_Atom_Count	0
119086019	TPSA	61.3
69851796	Hydrogen_Bond_Acceptor_Count	3
79956	Mono_Isotopic_Weight	401.05039832
18447	Structure_Complexity	423
446758	TPSA	60.7
137967	Undefined_Atom_Stereo_Count	0
134976	Exact_Mass	222.08920892
77929	Total_Formal_Charge	0
15522	Undefined_Atom_Stereo_Count	2
23394557	XLogP3-AA	6.1
630355	Exact_Mass	346.193280068
16749605	Total_Formal_Charge	0
145996610	Defined_Atom_Stereo_Count	4
135400456	Undefined_Bond_Stereo_Count	0
9929901	Hydrogen_Bond_Acceptor_Count	2
381117	Non-hydrogen_Atom_Count	19
71360	Molecular_Weight	426.5
15208	Undefined_Bond_Stereo_Count	0
75606	Structure_Complexity	80.2
9109	Covalent_Unit_Count	1
54582823	XLogP3-AA	1.5
61541	Non-hydrogen_Atom_Count	3
140672839	Undefined_Bond_Stereo_Count	0
12675	Undefined_Bond_Stereo_Count	0
132971	Undefined_Atom_Stereo_Count	0
40466862	Exact_Mass	389.10454189
15222234	Rotatable_Bond_Count	8
6015423	Covalent_Unit_Count	1
1091	Structure_Complexity	26.3
9806615	Undefined_Bond_Stereo_Count	0
25271782	Undefined_Bond_Stereo_Count	0
16667738	Rotatable_Bond_Count	11
49288	Undefined_Atom_Stereo_Count	1
3034336	Total_Formal_Charge	0
6422232	Tautomer_Count	1
50293	Covalent_Unit_Count	1
24776140	Rotatable_Bond_Count	2
88525	Structure_Complexity	294
248370	Isotope_Atom_Count	0
67807	Undefined_Atom_Stereo_Count	0
9579578	Undefined_Atom_Stereo_Count	0
115163	Exact_Mass	439.21409234
1951	Molecular_Weight	564.5
50367	Molecular_Weight	305.4
24360	Undefined_Atom_Stereo_Count	0
12434709	Undefined_Bond_Stereo_Count	0
656732	Hydrogen_Bond_Acceptor_Count	3
3035668	Rotatable_Bond_Count	1
54246209	Covalent_Unit_Count	1
23675746	Molecular_Weight	352.4
9576002	Isotope_Atom_Count	0
38855	Mono_Isotopic_Weight	356.29265975
21903	XLogP3-AA	2.4
14336	Undefined_Atom_Stereo_Count	0
10545	Non-hydrogen_Atom_Count	12
10377751	Total_Formal_Charge	0
54688	Hydrogen_Bond_Donor_Count	4
71449805	Defined_Bond_Stereo_Count	0
153254665	XLogP3-AA	1.4
95380	Undefined_Atom_Stereo_Count	1
7732	TPSA	35.2
91156	Hydrogen_Bond_Acceptor_Count	2
8052	Isotope_Atom_Count	0
77507	Non-hydrogen_Atom_Count	15
12892583	Non-hydrogen_Atom_Count	8
47	Defined_Atom_Stereo_Count	0
14989482	TPSA	20.2
162404783	Total_Formal_Charge	0
10567	Isotope_Atom_Count	0
103	Hydrogen_Bond_Donor_Count	11
657087	Hydrogen_Bond_Acceptor_Count	5
441073	Hydrogen_Bond_Donor_Count	1
63089	Hydrogen_Bond_Donor_Count	0
2781329	Non-hydrogen_Atom_Count	8
13050	Non-hydrogen_Atom_Count	13
93321	Hydrogen_Bond_Donor_Count	4
125110	Structure_Complexity	316
77533	Undefined_Bond_Stereo_Count	0
130153178	Structure_Complexity	126
3678	Mono_Isotopic_Weight	281.214349865
146795	Defined_Atom_Stereo_Count	0
11640390	Undefined_Atom_Stereo_Count	0
6441265	Isotope_Atom_Count	0
57064571	Hydrogen_Bond_Donor_Count	0
153963013	Isotope_Atom_Count	0
448222	Exact_Mass	308.12330301
107867	Undefined_Atom_Stereo_Count	1
59883	Covalent_Unit_Count	1
178144	TPSA	37.7
57433782	Defined_Bond_Stereo_Count	0
3048339	Rotatable_Bond_Count	0
131705644	Hydrogen_Bond_Donor_Count	8
70751	Isotope_Atom_Count	0
11876263	Hydrogen_Bond_Acceptor_Count	4
257	Hydrogen_Bond_Donor_Count	7
12771867	Defined_Bond_Stereo_Count	0
5893	Undefined_Atom_Stereo_Count	0
543881	Exact_Mass	114.104465066
17756	Molecular_Weight	104.15
164633	Rotatable_Bond_Count	2
19017960	Covalent_Unit_Count	1
81223	Tautomer_Count	2
69689	Tautomer_Count	3
339079	TPSA	67.4
20277510	Undefined_Bond_Stereo_Count	0
3086672	Total_Formal_Charge	2
62542	Molecular_Weight	480.4
69818	Undefined_Atom_Stereo_Count	0
8617	Defined_Bond_Stereo_Count	0
102601142	Isotope_Atom_Count	2
57609	Tautomer_Count	16
13770	Isotope_Atom_Count	0
123612613	Defined_Atom_Stereo_Count	0
8087	Undefined_Bond_Stereo_Count	0
164513759	Defined_Bond_Stereo_Count	0
41774	Molecular_Weight	645.6
5460610	Mono_Isotopic_Weight	44.997654270
22344	Undefined_Atom_Stereo_Count	0
135554980	Defined_Atom_Stereo_Count	0
11788284	Hydrogen_Bond_Acceptor_Count	1
15608605	XLogP3-AA	3.9
5611	TPSA	66.4
13776	Covalent_Unit_Count	3
123789923	Hydrogen_Bond_Acceptor_Count	0
122672143	TPSA	9.2
2415	Undefined_Bond_Stereo_Count	0
6993773	Rotatable_Bond_Count	2
6905	Covalent_Unit_Count	1
4901	TPSA	40.5
59694	Molecular_Weight	259.73
441035	Rotatable_Bond_Count	1
60199965	Non-hydrogen_Atom_Count	35
74710	Non-hydrogen_Atom_Count	9
145729	Mono_Isotopic_Weight	388.00728326
57000164	Exact_Mass	113.011292958
490	Exact_Mass	123.99254563
575101	Covalent_Unit_Count	1
92530	Molecular_Weight	118.13
71583603	Total_Formal_Charge	0
154091501	Defined_Bond_Stereo_Count	0
11338033	Hydrogen_Bond_Donor_Count	4
5311498	Defined_Bond_Stereo_Count	3
5512	Structure_Complexity	340
8911	Tautomer_Count	1
136682	Molecular_Weight	168.30
46195832	Total_Formal_Charge	1
122670	Total_Formal_Charge	0
59771	Defined_Atom_Stereo_Count	0
4619	Tautomer_Count	1
9274	XLogP3-AA	2.4
10154007	Exact_Mass	98.059246208
581206	Molecular_Weight	170.25
11500273	Mono_Isotopic_Weight	292.0978555
69402	Tautomer_Count	1
102474775	Isotope_Atom_Count	0
586156	Undefined_Atom_Stereo_Count	0
6537503	XLogP3-AA	0.8
57272093	Rotatable_Bond_Count	3
1922	XLogP3	2.2
15706803	Total_Formal_Charge	0
44119608	Undefined_Atom_Stereo_Count	0
6973628	Hydrogen_Bond_Donor_Count	0
63055	Molecular_Weight	482.6
71386	Isotope_Atom_Count	0
208925	Defined_Bond_Stereo_Count	0
13113267	Isotope_Atom_Count	0
71762	Undefined_Atom_Stereo_Count	8
536	Non-hydrogen_Atom_Count	63
13598997	Undefined_Atom_Stereo_Count	0
10184774	TPSA	116
24999143	Exact_Mass	469.28282334
36183	Isotope_Atom_Count	0
6688	XLogP3	3.7
5072	Total_Formal_Charge	0
177323	Hydrogen_Bond_Acceptor_Count	8
46078	Hydrogen_Bond_Donor_Count	1
189594	Exact_Mass	203.131014166
5469318	Undefined_Atom_Stereo_Count	0
71461541	Isotope_Atom_Count	0
104881	Tautomer_Count	3
246724	Isotope_Atom_Count	0
21655019	Structure_Complexity	48.1
689739	XLogP3-AA	3.1
24219262	Undefined_Atom_Stereo_Count	0
12550	Defined_Bond_Stereo_Count	0
216294	Total_Formal_Charge	0
5920	Molecular_Weight	650.97
22833307	Hydrogen_Bond_Acceptor_Count	0
9865808	Undefined_Atom_Stereo_Count	0
28424	Rotatable_Bond_Count	4
23695850	Isotope_Atom_Count	0
12096	Covalent_Unit_Count	1
525785	Molecular_Weight	111.14
12694695	Rotatable_Bond_Count	0
93480	TPSA	9.2
129010082	Undefined_Atom_Stereo_Count	1
628127	Undefined_Atom_Stereo_Count	0
130152397	Defined_Bond_Stereo_Count	0
139586083	Non-hydrogen_Atom_Count	77
89785	Isotope_Atom_Count	0
8793	Exact_Mass	240.162648646
10887837	Undefined_Atom_Stereo_Count	0
71624343	Defined_Bond_Stereo_Count	0
443310	Total_Formal_Charge	0
198135	Undefined_Bond_Stereo_Count	0
3076	Undefined_Atom_Stereo_Count	2
24756256	Undefined_Bond_Stereo_Count	0
126083	Tautomer_Count	3
137554722	Undefined_Atom_Stereo_Count	1
62118	Structure_Complexity	59.5
74904	TPSA	18.5
51683	Exact_Mass	173.10519334
9395	Defined_Atom_Stereo_Count	0
12768404	Defined_Bond_Stereo_Count	0
4369233	Covalent_Unit_Count	1
194519	Defined_Atom_Stereo_Count	0
38622	Undefined_Atom_Stereo_Count	1
15528723	Hydrogen_Bond_Acceptor_Count	2
118701498	Mono_Isotopic_Weight	332.23514488
2132	Structure_Complexity	259
13765	Total_Formal_Charge	0
3770	Rotatable_Bond_Count	13
7167	Undefined_Bond_Stereo_Count	0
24180824	Defined_Atom_Stereo_Count	0
14753032	Mono_Isotopic_Weight	546.19369124
104556	Mono_Isotopic_Weight	219.15829154
34740	Tautomer_Count	1
68109743	TPSA	112
86999	Isotope_Atom_Count	0
1069125	Structure_Complexity	545
78423105	Exact_Mass	259.04289038
1010	Mono_Isotopic_Weight	339.04676603
12993138	Rotatable_Bond_Count	2
17424	Tautomer_Count	1
51003564	Exact_Mass	256.121177757
26482	Hydrogen_Bond_Acceptor_Count	1
165411817	Exact_Mass	774.27732385
108018	Covalent_Unit_Count	1
137572	Covalent_Unit_Count	1
35908	Structure_Complexity	383
135474890	Defined_Atom_Stereo_Count	0
52945793	Rotatable_Bond_Count	6
104276777	Structure_Complexity	120
1265	Isotope_Atom_Count	0
76449347	Defined_Atom_Stereo_Count	0
854019	Molecular_Weight	176.21
5857	Undefined_Bond_Stereo_Count	0
3521	TPSA	179
54111073	Undefined_Atom_Stereo_Count	1
11594	Mono_Isotopic_Weight	114.140850574
117239	Defined_Bond_Stereo_Count	0
14670	Non-hydrogen_Atom_Count	20
25195	Mono_Isotopic_Weight	352.14230712
12942137	Undefined_Bond_Stereo_Count	0
21948654	TPSA	51.6
2771	Molecular_Weight	324.4
57349445	Isotope_Atom_Count	0
448167	Non-hydrogen_Atom_Count	23
9082	Non-hydrogen_Atom_Count	5
44590403	Defined_Bond_Stereo_Count	0
12319472	Molecular_Weight	277.16
12452576	Non-hydrogen_Atom_Count	6
502272	Non-hydrogen_Atom_Count	24
79008	Isotope_Atom_Count	0
71905	Isotope_Atom_Count	0
319344	TPSA	42
3891	Isotope_Atom_Count	0
255	Undefined_Bond_Stereo_Count	0
809622	Defined_Atom_Stereo_Count	2
12720844	Structure_Complexity	112
12709580	Undefined_Atom_Stereo_Count	0
56593143	Covalent_Unit_Count	1
129785733	Molecular_Weight	98.10
23519822	Rotatable_Bond_Count	6
9817917	Undefined_Bond_Stereo_Count	0
61126	Covalent_Unit_Count	1
71411033	Rotatable_Bond_Count	1
73303	Covalent_Unit_Count	1
3082460	Non-hydrogen_Atom_Count	24
1781	Hydrogen_Bond_Acceptor_Count	2
20111	Rotatable_Bond_Count	7
142299	Rotatable_Bond_Count	0
20165534	Covalent_Unit_Count	1
20349001	Undefined_Bond_Stereo_Count	0
43558816	Molecular_Weight	114.10
57800	Structure_Complexity	436
319343	Undefined_Bond_Stereo_Count	0
23257217	Non-hydrogen_Atom_Count	17
12870589	Isotope_Atom_Count	0
179337	Rotatable_Bond_Count	8
2476	Hydrogen_Bond_Acceptor_Count	5
69162447	Mono_Isotopic_Weight	113.058911855
9935073	Defined_Bond_Stereo_Count	0
79117672	Molecular_Weight	111.14
26388	Exact_Mass	445.14938408
274426	Total_Formal_Charge	0
59966656	Undefined_Atom_Stereo_Count	2
8946	Undefined_Atom_Stereo_Count	1
30107	Isotope_Atom_Count	0
443971	Defined_Atom_Stereo_Count	0
66603768	Exact_Mass	351.1560986
157690	Exact_Mass	540.13779329
100	Total_Formal_Charge	0
5460263	Structure_Complexity	77.6
134558090	Isotope_Atom_Count	0
68741938	Exact_Mass	559.31341002
9576891	Hydrogen_Bond_Acceptor_Count	5
24759089	Isotope_Atom_Count	0
53774272	TPSA	29.1
71307	Non-hydrogen_Atom_Count	13
117915	Isotope_Atom_Count	0
10357919	Hydrogen_Bond_Donor_Count	1
4679699	Defined_Atom_Stereo_Count	0
16996	Undefined_Bond_Stereo_Count	0
135476260	Structure_Complexity	932
119332	Covalent_Unit_Count	1
9877306	TPSA	406
13367	XLogP3-AA	1.2
24181099	Hydrogen_Bond_Acceptor_Count	12
51086	Undefined_Atom_Stereo_Count	0
20670051	Hydrogen_Bond_Donor_Count	2
5284553	TPSA	220
165360129	Mono_Isotopic_Weight	1248.62378324
10248	Rotatable_Bond_Count	5
23675746	Covalent_Unit_Count	2
146159143	Covalent_Unit_Count	1
10510829	Isotope_Atom_Count	0
90579	Total_Formal_Charge	0
448601	Defined_Bond_Stereo_Count	0
24868284	Isotope_Atom_Count	0
102063302	Structure_Complexity	270
2723787	Hydrogen_Bond_Donor_Count	0
907170	Molecular_Weight	289.4
163285334	Isotope_Atom_Count	0
175989	Mono_Isotopic_Weight	650.27927134
11344909	Mono_Isotopic_Weight	214.0900558
57452	Hydrogen_Bond_Donor_Count	1
135564773	Molecular_Weight	332.5
5283349	Molecular_Weight	152.23
27211	TPSA	20.3
93104	XLogP3-AA	3.8
1609	Mono_Isotopic_Weight	213.9588348
50367	Defined_Atom_Stereo_Count	0
103940	Exact_Mass	154.135765193
139077515	Hydrogen_Bond_Donor_Count	4
38141	TPSA	37.4
2238	Covalent_Unit_Count	1
2784	Non-hydrogen_Atom_Count	26
4386396	Isotope_Atom_Count	0
40553	Exact_Mass	313.0981898
12313776	Undefined_Atom_Stereo_Count	0
135513267	Structure_Complexity	454
517030	Defined_Bond_Stereo_Count	0
207584	Hydrogen_Bond_Acceptor_Count	1
542762	XLogP3-AA	1.3
129456	XLogP3-AA	0.8
83008	Exact_Mass	482.12937691
71624343	Defined_Atom_Stereo_Count	0
92884	Molecular_Weight	189.12
41268	Hydrogen_Bond_Donor_Count	1
236	TPSA	106
134694981	Rotatable_Bond_Count	8
58158	Structure_Complexity	396
11379	Defined_Atom_Stereo_Count	0
2723951	Undefined_Bond_Stereo_Count	0
11704101	Mono_Isotopic_Weight	403.16443955
5275520	Molecular_Weight	168.23
135456161	Hydrogen_Bond_Donor_Count	4
94906	Mono_Isotopic_Weight	159.068413911
6452830	Total_Formal_Charge	0
11979741	Non-hydrogen_Atom_Count	101
44563117	TPSA	88
68948183	Exact_Mass	115.063328530
21889252	TPSA	46.5
4604	TPSA	108
131737226	Molecular_Weight	308.92
5260030	XLogP3-AA	0
96301	Structure_Complexity	401
476260	Isotope_Atom_Count	0
75087	Exact_Mass	328.15534438
29385	Covalent_Unit_Count	1
14523483	Undefined_Atom_Stereo_Count	0
58859	Total_Formal_Charge	0
38972	Undefined_Bond_Stereo_Count	0
90921336	Tautomer_Count	2
139799	Defined_Atom_Stereo_Count	0
14409	TPSA	35.6
13427979	Defined_Atom_Stereo_Count	0
59144	Molecular_Weight	296.20
10027781	Hydrogen_Bond_Donor_Count	4
101254308	Molecular_Weight	182.15
39521	XLogP3-AA	0.6
18673160	Defined_Bond_Stereo_Count	0
21916	Non-hydrogen_Atom_Count	23
135415564	Hydrogen_Bond_Donor_Count	5
134129158	Exact_Mass	336.97721
19957820	XLogP3-AA	0.8
18949974	Molecular_Weight	110.11
71296943	Undefined_Bond_Stereo_Count	1
56600729	TPSA	101
45095	Structure_Complexity	367
60196410	Non-hydrogen_Atom_Count	41
88520001	XLogP3-AA	5.1
91021644	Structure_Complexity	149
132594557	Rotatable_Bond_Count	14
5486830	Defined_Atom_Stereo_Count	1
53865481	Defined_Bond_Stereo_Count	0
77921	TPSA	26.3
54530824	Undefined_Bond_Stereo_Count	0
443933	Defined_Bond_Stereo_Count	0
5497123	Structure_Complexity	345
543107	TPSA	67.4
45008	Non-hydrogen_Atom_Count	19
13878035	Undefined_Bond_Stereo_Count	0
20172	Rotatable_Bond_Count	2
6850814	Tautomer_Count	1
6328163	Exact_Mass	500.0545926
12203051	Exact_Mass	195.94975
43102	Mono_Isotopic_Weight	260.188863393
87479093	Total_Formal_Charge	0
4523333	Undefined_Bond_Stereo_Count	0
140519105	Mono_Isotopic_Weight	97.063997236
157903531	Structure_Complexity	88.1
71307072	Molecular_Weight	414.60
124769752	Hydrogen_Bond_Donor_Count	1
8659	TPSA	55
8916	Hydrogen_Bond_Acceptor_Count	1
92268	Covalent_Unit_Count	1
90990	Defined_Atom_Stereo_Count	0
101454647	Defined_Atom_Stereo_Count	0
136516	Covalent_Unit_Count	1
23666330	Hydrogen_Bond_Donor_Count	3
676157	Tautomer_Count	11
11977152	Exact_Mass	191.1845299
123729568	Mono_Isotopic_Weight	114.104465066
10047003	TPSA	67.5
52993227	Undefined_Atom_Stereo_Count	0
13182523	Total_Formal_Charge	0
24864463	Rotatable_Bond_Count	3
62923	TPSA	32.7
441334	Defined_Atom_Stereo_Count	0
4782	Structure_Complexity	130
15980838	Mono_Isotopic_Weight	495.1673320
347590	Mono_Isotopic_Weight	180.07211956
6850791	Molecular_Weight	1269.4
7124	Isotope_Atom_Count	0
95200	Total_Formal_Charge	0
64805	Hydrogen_Bond_Acceptor_Count	3
4640	Total_Formal_Charge	0
2437245	Molecular_Weight	180.20
15793001	TPSA	61.7
131674979	Non-hydrogen_Atom_Count	59
2775003	Molecular_Weight	115.13
19601937	Rotatable_Bond_Count	26
4942	Covalent_Unit_Count	1
12300006	Rotatable_Bond_Count	4
5256228	Molecular_Weight	192.30
12124007	Defined_Bond_Stereo_Count	0
446998	Structure_Complexity	307
67313	Hydrogen_Bond_Acceptor_Count	4
440202	Defined_Bond_Stereo_Count	0
10288822	Undefined_Atom_Stereo_Count	0
7691	Undefined_Atom_Stereo_Count	0
16063245	Non-hydrogen_Atom_Count	39
89805	Non-hydrogen_Atom_Count	12
75786	Exact_Mass	224.177630004
5281099	Defined_Atom_Stereo_Count	13
73216	TPSA	93.4
55119	Defined_Bond_Stereo_Count	0
24389	Total_Formal_Charge	0
65211	Non-hydrogen_Atom_Count	33
53606	Undefined_Atom_Stereo_Count	1
13761354	Molecular_Weight	112.17
19283	Hydrogen_Bond_Donor_Count	0
1033	Rotatable_Bond_Count	21
94190	Defined_Bond_Stereo_Count	0
5248607	Covalent_Unit_Count	1
52949803	TPSA	108
2063927	Rotatable_Bond_Count	1
81396	Hydrogen_Bond_Acceptor_Count	2
5516	Undefined_Atom_Stereo_Count	0
11569158	Defined_Bond_Stereo_Count	0
49853507	Hydrogen_Bond_Acceptor_Count	8
687034	Isotope_Atom_Count	0
207292	Tautomer_Count	3
536549	TPSA	20.2
4386	Rotatable_Bond_Count	3
24721540	Covalent_Unit_Count	2
21675991	Defined_Atom_Stereo_Count	0
8001	Mono_Isotopic_Weight	199.88363
156580566	Molecular_Weight	466.5
5149739	Undefined_Bond_Stereo_Count	0
565843	TPSA	109
22154890	Defined_Atom_Stereo_Count	0
67634	TPSA	17.1
54011	Defined_Bond_Stereo_Count	0
44443935	Undefined_Bond_Stereo_Count	0
57417608	Isotope_Atom_Count	0
6748	Mono_Isotopic_Weight	159.068413911
40949	Hydrogen_Bond_Donor_Count	0
450484	Rotatable_Bond_Count	7
9800972	Isotope_Atom_Count	0
153274329	Undefined_Bond_Stereo_Count	0
12449	Total_Formal_Charge	0
5460613	Rotatable_Bond_Count	0
70122	Undefined_Atom_Stereo_Count	0
978377	Structure_Complexity	645
16224456	Mono_Isotopic_Weight	609.26612791
39048	TPSA	97
79089	Tautomer_Count	1
6173	Tautomer_Count	1
59841	Hydrogen_Bond_Acceptor_Count	6
7059	XLogP3	2.6
10214	Tautomer_Count	3
13003788	Total_Formal_Charge	0
24879665	Undefined_Bond_Stereo_Count	0
5375618	Total_Formal_Charge	0
89785	Hydrogen_Bond_Donor_Count	2
5311466	Isotope_Atom_Count	0
11777	Molecular_Weight	353.1
98559	Exact_Mass	282.18444672
9330	XLogP3	2.6
698364	Undefined_Atom_Stereo_Count	0
8424	Covalent_Unit_Count	1
16725726	Rotatable_Bond_Count	7
13765439	Molecular_Weight	163.20
145971	Non-hydrogen_Atom_Count	15
126968472	Rotatable_Bond_Count	2
129661122	Non-hydrogen_Atom_Count	10
67121664	Molecular_Weight	112.17
4241466	Covalent_Unit_Count	1
76156	Undefined_Bond_Stereo_Count	0
3009355	Covalent_Unit_Count	1
48804	Isotope_Atom_Count	0
35330	Defined_Atom_Stereo_Count	0
11641	Undefined_Bond_Stereo_Count	0
69663	Rotatable_Bond_Count	0
3996620	Exact_Mass	231.07696722
91595261	Mono_Isotopic_Weight	100.100048391
53316407	Covalent_Unit_Count	2
26375	Hydrogen_Bond_Donor_Count	0
73356082	Rotatable_Bond_Count	118
439218	TPSA	447
62956	Undefined_Atom_Stereo_Count	0
54292	Mono_Isotopic_Weight	320.120115130
9215	XLogP3	3.4
52943718	Mono_Isotopic_Weight	404.0873882
7794	Defined_Atom_Stereo_Count	0
65601	Undefined_Atom_Stereo_Count	0
548989	Defined_Bond_Stereo_Count	0
440121	Undefined_Bond_Stereo_Count	0
25324	Undefined_Bond_Stereo_Count	0
24949398	TPSA	78.5
135398729	TPSA	134
65844	Rotatable_Bond_Count	1
24721009	Rotatable_Bond_Count	7
117516	Covalent_Unit_Count	1
2758223	Exact_Mass	197.9751535
529267	Defined_Bond_Stereo_Count	0
5205	Hydrogen_Bond_Acceptor_Count	1
101544	Non-hydrogen_Atom_Count	21
53689772	Total_Formal_Charge	0
12295187	Covalent_Unit_Count	1
33637	Total_Formal_Charge	0
52920469	Defined_Bond_Stereo_Count	0
560	Structure_Complexity	177
80779	Non-hydrogen_Atom_Count	13
104933	Hydrogen_Bond_Donor_Count	1
46926350	TPSA	91.2
12226	Hydrogen_Bond_Acceptor_Count	1
674572	Non-hydrogen_Atom_Count	22
486	Undefined_Bond_Stereo_Count	0
77213	TPSA	105
85920	Defined_Bond_Stereo_Count	0
16131448	Mono_Isotopic_Weight	1807.98054885
71436959	Defined_Bond_Stereo_Count	0
4472	Exact_Mass	298.14297583
47517	TPSA	30.5
60196269	Non-hydrogen_Atom_Count	22
123462301	Structure_Complexity	53.5
100934359	Defined_Atom_Stereo_Count	0
4548	Defined_Atom_Stereo_Count	0
6857732	Covalent_Unit_Count	1
2299	Exact_Mass	477.17559883
66704467	Exact_Mass	272.02893460
57667	Isotope_Atom_Count	0
92722	Hydrogen_Bond_Acceptor_Count	8
300	Defined_Atom_Stereo_Count	0
96509	Isotope_Atom_Count	0
74089	Rotatable_Bond_Count	4
22731487	Non-hydrogen_Atom_Count	22
139246476	Mono_Isotopic_Weight	186.013186
267449	Defined_Atom_Stereo_Count	0
9692	Mono_Isotopic_Weight	164.094963011
23663390	TPSA	95.3
5460408	Structure_Complexity	325
135612794	Undefined_Bond_Stereo_Count	0
7195	Rotatable_Bond_Count	0
54562506	Non-hydrogen_Atom_Count	8
9915039	Exact_Mass	532.1796670
25255	XLogP3-AA	2.9
575893	TPSA	59.3
11234350	Defined_Atom_Stereo_Count	1
472	Hydrogen_Bond_Donor_Count	2
69253	Defined_Bond_Stereo_Count	0
69333963	Exact_Mass	112.063662883
959	Molecular_Weight	697.1
200103	Exact_Mass	498.992710
129887798	Undefined_Bond_Stereo_Count	0
10996	Covalent_Unit_Count	1
90863456	Structure_Complexity	124
4453511	Exact_Mass	301.9973455
89125265	Structure_Complexity	153
13791373	Exact_Mass	111.068413911
88580088	Hydrogen_Bond_Donor_Count	0
77037484	Structure_Complexity	80.5
66727	TPSA	42.2
126704391	Molecular_Weight	180.16
5284468	Undefined_Bond_Stereo_Count	0
219401	Hydrogen_Bond_Acceptor_Count	2
2724588	Hydrogen_Bond_Acceptor_Count	9
2689	Hydrogen_Bond_Acceptor_Count	6
158794	Exact_Mass	315.14705815
21873275	Defined_Bond_Stereo_Count	0
2762863	Molecular_Weight	111.12
68583882	TPSA	40.7
68356363	Total_Formal_Charge	0
19389333	Mono_Isotopic_Weight	118.099379685
160157	Non-hydrogen_Atom_Count	13
44592366	Isotope_Atom_Count	0
163326	Covalent_Unit_Count	1
89559	Molecular_Weight	154.21
53701	Hydrogen_Bond_Acceptor_Count	4
71719268	XLogP3-AA	4.5
7034	XLogP3	4.9
122653117	Isotope_Atom_Count	0
23662383	Mono_Isotopic_Weight	232.07452447
71894	Defined_Atom_Stereo_Count	0
64929	Hydrogen_Bond_Acceptor_Count	4
22227	Isotope_Atom_Count	0
564864	XLogP3	3.8
43507	Molecular_Weight	519.6
45488107	Isotope_Atom_Count	0
60196374	Non-hydrogen_Atom_Count	10
15686	TPSA	43.4
23555879	Exact_Mass	99.068413911
4293604	Tautomer_Count	1
107737	Molecular_Weight	260.14
84151	Total_Formal_Charge	0
66376	Mono_Isotopic_Weight	132.90591
137326482	Undefined_Atom_Stereo_Count	0
50989756	Structure_Complexity	89.7
9832136	Undefined_Atom_Stereo_Count	0
3366	Non-hydrogen_Atom_Count	9
53763878	Hydrogen_Bond_Donor_Count	0
68245262	Covalent_Unit_Count	1
14927	Undefined_Bond_Stereo_Count	0
81226	Rotatable_Bond_Count	2
24848261	Defined_Bond_Stereo_Count	0
441374	Exact_Mass	582.20543769
62209	Structure_Complexity	152
16683028	Hydrogen_Bond_Acceptor_Count	7
7180	Total_Formal_Charge	0
69437	Rotatable_Bond_Count	4
31191	Molecular_Weight	129.16
25324	Hydrogen_Bond_Acceptor_Count	2
19920	Mono_Isotopic_Weight	116.083729621
132031748	Mono_Isotopic_Weight	113.047678466
119198	TPSA	26.7
50295	Hydrogen_Bond_Donor_Count	0
15586	Hydrogen_Bond_Donor_Count	0
53494972	XLogP3-AA	3.4
32816	XLogP3	3.2
235414	Total_Formal_Charge	0
15983680	Isotope_Atom_Count	0
5022	Hydrogen_Bond_Acceptor_Count	8
54586637	Hydrogen_Bond_Donor_Count	1
23335676	Tautomer_Count	3
62395	Rotatable_Bond_Count	0
154489025	Undefined_Bond_Stereo_Count	1
537142	Undefined_Bond_Stereo_Count	0
115011064	Mono_Isotopic_Weight	114.068079557
123969926	Mono_Isotopic_Weight	116.083729621
21302490	Defined_Bond_Stereo_Count	0
192627	TPSA	76.4
2769656	Molecular_Weight	106.05
642669	Total_Formal_Charge	0
53734710	XLogP3-AA	0.1
61141	Undefined_Atom_Stereo_Count	0
122433	Defined_Bond_Stereo_Count	0
17564	Exact_Mass	263.188529040
6433176	Total_Formal_Charge	0
21910000	Total_Formal_Charge	0
19787449	Structure_Complexity	115
16787580	Defined_Bond_Stereo_Count	0
5370052	Total_Formal_Charge	0
132275556	TPSA	21.6
5281120	Undefined_Atom_Stereo_Count	0
2978	TPSA	29.5
61011	Exact_Mass	130.146998583
53316388	Mono_Isotopic_Weight	528.2251812
59471599	Isotope_Atom_Count	0
98047376	Hydrogen_Bond_Donor_Count	1
29373	Hydrogen_Bond_Acceptor_Count	2
4271	Molecular_Weight	433.5
70048	Undefined_Atom_Stereo_Count	0
102250716	TPSA	79.4
129653419	Mono_Isotopic_Weight	86.07077866
85608268	Non-hydrogen_Atom_Count	8
418360	Covalent_Unit_Count	1
6441712	Hydrogen_Bond_Donor_Count	4
8916	Rotatable_Bond_Count	8
20016	Covalent_Unit_Count	1
12003254	Total_Formal_Charge	0
67811115	Total_Formal_Charge	0
15808	Isotope_Atom_Count	0
79267	Covalent_Unit_Count	1
10138980	Undefined_Atom_Stereo_Count	0
12936855	Isotope_Atom_Count	0
14022509	Total_Formal_Charge	0
12674802	Hydrogen_Bond_Acceptor_Count	1
77213	Isotope_Atom_Count	0
48920	Exact_Mass	283.157228913
568445	Defined_Atom_Stereo_Count	0
46233311	Non-hydrogen_Atom_Count	28
90165975	Total_Formal_Charge	0
50360	Exact_Mass	213.078978594
230	Molecular_Weight	230.11
139154214	Undefined_Bond_Stereo_Count	0
13415147	Defined_Atom_Stereo_Count	0
5282253	Mono_Isotopic_Weight	311.13688739
5287969	Defined_Bond_Stereo_Count	0
10934	TPSA	41.1
137331882	Covalent_Unit_Count	2
676493	Undefined_Atom_Stereo_Count	0
52936034	Defined_Atom_Stereo_Count	0
10134976	TPSA	77.5
69826668	XLogP3-AA	5.1
131876601	Molecular_Weight	843.1
156622209	Mono_Isotopic_Weight	98.048012819
154518019	Hydrogen_Bond_Donor_Count	1
40841	Mono_Isotopic_Weight	245.177964357
80467969	Undefined_Atom_Stereo_Count	2
168707	Rotatable_Bond_Count	5
6364575	Mono_Isotopic_Weight	388.1706265
1385867	Defined_Atom_Stereo_Count	0
6224	TPSA	141
15825450	Defined_Bond_Stereo_Count	0
20187	TPSA	50.8
13028868	Covalent_Unit_Count	1
10522	XLogP3-AA	4.3
18397995	Defined_Bond_Stereo_Count	0
2637	Structure_Complexity	738
492901	TPSA	63.2
45480375	Covalent_Unit_Count	1
66615606	Molecular_Weight	514.0
13235330	Defined_Bond_Stereo_Count	0
24973796	Total_Formal_Charge	0
61029	Defined_Bond_Stereo_Count	0
7982	Isotope_Atom_Count	0
157641	Molecular_Weight	157.60
73229	Mono_Isotopic_Weight	147.9861970
5281794	Defined_Bond_Stereo_Count	1
720637	Hydrogen_Bond_Acceptor_Count	3
10767	Hydrogen_Bond_Donor_Count	0
7923	Defined_Bond_Stereo_Count	0
16212984	Non-hydrogen_Atom_Count	8
16490	Defined_Atom_Stereo_Count	9
5352428	Non-hydrogen_Atom_Count	14
24180714	Defined_Bond_Stereo_Count	0
64087052	Molecular_Weight	108.14
23981	Rotatable_Bond_Count	0
11886769	Defined_Bond_Stereo_Count	0
87716431	TPSA	539
2524	Hydrogen_Bond_Donor_Count	3
114880	Exact_Mass	510.30401228
14017772	Total_Formal_Charge	0
145986	TPSA	108
705145	Rotatable_Bond_Count	6
50128	Covalent_Unit_Count	2
12754	Rotatable_Bond_Count	0
74470	Isotope_Atom_Count	0
12182	Covalent_Unit_Count	1
22020874	Hydrogen_Bond_Donor_Count	0
57227	Mono_Isotopic_Weight	250.191937398
26091	Hydrogen_Bond_Acceptor_Count	3
5384293	Structure_Complexity	0
12103	Tautomer_Count	1
34757	Molecular_Weight	178.26
74201	XLogP3	1.4
5370325	Structure_Complexity	329
6848	Covalent_Unit_Count	1
3032806	Undefined_Bond_Stereo_Count	0
87927	Total_Formal_Charge	0
20087060	Hydrogen_Bond_Acceptor_Count	3
25147683	Tautomer_Count	1
135616187	Defined_Bond_Stereo_Count	2
8315	Hydrogen_Bond_Acceptor_Count	2
23306082	Structure_Complexity	410
69995962	Undefined_Atom_Stereo_Count	0
68201955	Exact_Mass	114.068079557
85546	TPSA	65.5
19067730	Structure_Complexity	94
136657690	Mono_Isotopic_Weight	218.05522346
580328	TPSA	156
20648808	Undefined_Atom_Stereo_Count	1
66095	Exact_Mass	180.115029749
219990	Total_Formal_Charge	0
16220015	Non-hydrogen_Atom_Count	26
72200293	Hydrogen_Bond_Acceptor_Count	7
5311093	Undefined_Bond_Stereo_Count	0
11850698	Undefined_Atom_Stereo_Count	0
86287524	TPSA	17.1
9908306	Rotatable_Bond_Count	4
12355883	Isotope_Atom_Count	0
4412	Mono_Isotopic_Weight	743.07545344
342403	Non-hydrogen_Atom_Count	10
66587064	Total_Formal_Charge	0
26362	Defined_Atom_Stereo_Count	0
126963478	XLogP3-AA	2.5
9818540	Hydrogen_Bond_Acceptor_Count	3
4423	Structure_Complexity	549
22672901	Defined_Bond_Stereo_Count	0
83826166	Mono_Isotopic_Weight	114.068079557
146157010	TPSA	32.7
101127008	Mono_Isotopic_Weight	112.052429494
656846	Exact_Mass	1208.4846356
6671	Tautomer_Count	1
69170	Undefined_Atom_Stereo_Count	0
98148768	Defined_Atom_Stereo_Count	10
12462027	Defined_Atom_Stereo_Count	0
24107	Defined_Bond_Stereo_Count	0
53324736	Undefined_Atom_Stereo_Count	1
5363234	XLogP3-AA	12.1
12057	Covalent_Unit_Count	1
162990680	Mono_Isotopic_Weight	665.30474055
12313416	XLogP3-AA	2.6
476770	XLogP3-AA	6.4
74208	Undefined_Bond_Stereo_Count	0
2239	TPSA	170
131750190	Hydrogen_Bond_Acceptor_Count	11
866607	Non-hydrogen_Atom_Count	23
37723	Tautomer_Count	1
76646	Undefined_Bond_Stereo_Count	0
93303	Exact_Mass	768.42104815
57392503	Hydrogen_Bond_Donor_Count	3
20403	Molecular_Weight	248.25
21501	Hydrogen_Bond_Donor_Count	1
12867435	Non-hydrogen_Atom_Count	7
129744573	Undefined_Bond_Stereo_Count	0
60605	Hydrogen_Bond_Acceptor_Count	9
529031	Undefined_Bond_Stereo_Count	0
62932	Total_Formal_Charge	0
56615438	Structure_Complexity	128
70687332	XLogP3-AA	3.3
10402	Undefined_Bond_Stereo_Count	0
311438	Undefined_Bond_Stereo_Count	0
25418	Total_Formal_Charge	0
8988	Mono_Isotopic_Weight	115.063328530
159739	Tautomer_Count	1
444732	Defined_Bond_Stereo_Count	2
9176	Defined_Bond_Stereo_Count	0
66559017	Rotatable_Bond_Count	4
65510	Total_Formal_Charge	0
6078	Mono_Isotopic_Weight	379.2026549
56673551	Defined_Atom_Stereo_Count	1
44565798	TPSA	100
23675339	Hydrogen_Bond_Acceptor_Count	7
137843	Hydrogen_Bond_Acceptor_Count	0
166652	TPSA	4
18781684	Covalent_Unit_Count	1
66295	Mono_Isotopic_Weight	84.057514874
3631	XLogP3-AA	0.6
2734227	Molecular_Weight	286.9
59514	Defined_Bond_Stereo_Count	0
45046	Undefined_Atom_Stereo_Count	0
13033	Isotope_Atom_Count	0
2734179	Mono_Isotopic_Weight	254.1577414
11829369	Hydrogen_Bond_Acceptor_Count	1
4740700	Undefined_Atom_Stereo_Count	0
20081031	TPSA	64.7
400916	TPSA	29.8
121304016	XLogP3-AA	1.9
5467	Rotatable_Bond_Count	8
6962	Tautomer_Count	1
2752648	Mono_Isotopic_Weight	110.073164938
1003	Structure_Complexity	49.8
12228	Undefined_Bond_Stereo_Count	0
98650	Undefined_Atom_Stereo_Count	0
96389	XLogP3	2.2
138076	Structure_Complexity	60.1
23667628	Hydrogen_Bond_Donor_Count	1
102090452	TPSA	320
24867465	Exact_Mass	341.1605153
13346	Mono_Isotopic_Weight	230.02002368
94865125	Total_Formal_Charge	0
154808064	Exact_Mass	665.30474055
84063979	Defined_Atom_Stereo_Count	0
10820493	Structure_Complexity	76.8
479503	Non-hydrogen_Atom_Count	21
7518	Undefined_Bond_Stereo_Count	0
15174589	Defined_Bond_Stereo_Count	0
22856734	Hydrogen_Bond_Donor_Count	1
12962871	Hydrogen_Bond_Donor_Count	0
74570	Total_Formal_Charge	0
49765077	Mono_Isotopic_Weight	356.15584919
67978393	Exact_Mass	96.068748264
436543	Exact_Mass	223.136099547
208832	Covalent_Unit_Count	1
135489810	Structure_Complexity	140
10350481	Non-hydrogen_Atom_Count	58
693318	Structure_Complexity	251
6451450	Mono_Isotopic_Weight	114.068079557
121235738	Isotope_Atom_Count	0
7401	TPSA	51.8
23000221	Covalent_Unit_Count	1
5351564	Non-hydrogen_Atom_Count	24
129738943	Mono_Isotopic_Weight	107.048347172
66764350	Isotope_Atom_Count	0
18923030	Total_Formal_Charge	0
442072	Total_Formal_Charge	0
12248	Non-hydrogen_Atom_Count	6
135987619	Undefined_Atom_Stereo_Count	0
436526	Hydrogen_Bond_Donor_Count	0
459645	Non-hydrogen_Atom_Count	20
97046	Rotatable_Bond_Count	11
6398970	Isotope_Atom_Count	0
12663409	Isotope_Atom_Count	0
5777	Covalent_Unit_Count	1
46916	XLogP3-AA	3.2
96380	Hydrogen_Bond_Donor_Count	0
82513	Hydrogen_Bond_Acceptor_Count	2
4932	Structure_Complexity	368
12047567	Undefined_Atom_Stereo_Count	0
37274	Isotope_Atom_Count	0
54677946	Undefined_Atom_Stereo_Count	0
24900813	Total_Formal_Charge	0
13878	Undefined_Atom_Stereo_Count	0
46	Isotope_Atom_Count	0
18719616	Undefined_Bond_Stereo_Count	0
11814656	Hydrogen_Bond_Donor_Count	5
57938	Defined_Atom_Stereo_Count	0
516893	Exact_Mass	99.95627537
68739327	Isotope_Atom_Count	0
5280490	Undefined_Bond_Stereo_Count	0
135705228	Isotope_Atom_Count	0
260036	Covalent_Unit_Count	1
158550	Hydrogen_Bond_Acceptor_Count	13
224246	Covalent_Unit_Count	1
25273609	Molecular_Weight	388.9
6677	Defined_Bond_Stereo_Count	0
403821	Undefined_Bond_Stereo_Count	0
2747993	Total_Formal_Charge	0
71433469	Hydrogen_Bond_Acceptor_Count	2
12581	Covalent_Unit_Count	1
59277791	Exact_Mass	112.063662883
8364	Exact_Mass	250.15689456
142403638	TPSA	44
12888	Hydrogen_Bond_Donor_Count	0
54793	Hydrogen_Bond_Donor_Count	0
21466713	TPSA	60.2
65944	Mono_Isotopic_Weight	244.05177804
71306415	Hydrogen_Bond_Acceptor_Count	16
5625	Covalent_Unit_Count	1
12490222	Undefined_Atom_Stereo_Count	0
5282209	TPSA	120
53655	Non-hydrogen_Atom_Count	63
145562	Total_Formal_Charge	0
44097	Isotope_Atom_Count	0
2103	Isotope_Atom_Count	0
20685	Non-hydrogen_Atom_Count	24
11967214	Structure_Complexity	326
13159	Non-hydrogen_Atom_Count	7
68401	Total_Formal_Charge	0
14200416	Undefined_Atom_Stereo_Count	0
135992838	Rotatable_Bond_Count	2
18171	Undefined_Atom_Stereo_Count	0
19952	Molecular_Weight	110.12
44230575	Rotatable_Bond_Count	10
73357	Defined_Atom_Stereo_Count	10
58158	Undefined_Atom_Stereo_Count	1
123569580	Structure_Complexity	95.4
71545	Isotope_Atom_Count	0
9047	Non-hydrogen_Atom_Count	19
12016890	TPSA	55.6
6059187	Isotope_Atom_Count	0
53248849	Exact_Mass	300.16379146
13036911	Covalent_Unit_Count	1
7462	Non-hydrogen_Atom_Count	10
656902	Defined_Atom_Stereo_Count	5
71636	XLogP3-AA	5.6
134693946	TPSA	180
17510	Hydrogen_Bond_Acceptor_Count	3
11008865	Defined_Atom_Stereo_Count	2
71306354	Structure_Complexity	4380
5213	Covalent_Unit_Count	1
25386	Defined_Bond_Stereo_Count	0
20639618	Undefined_Atom_Stereo_Count	0
20820	Undefined_Atom_Stereo_Count	0
70933	Tautomer_Count	1
5241	Defined_Bond_Stereo_Count	0
63252	Isotope_Atom_Count	0
69808	Molecular_Weight	114.26
16665100	Mono_Isotopic_Weight	461.23145648
27123	Exact_Mass	444.25118886
53489	Hydrogen_Bond_Donor_Count	2
13925935	Isotope_Atom_Count	0
67591	Covalent_Unit_Count	1
9519	Rotatable_Bond_Count	6
25959	Molecular_Weight	211.95
132285118	Molecular_Weight	866.1
6918925	Molecular_Weight	195.21
59557415	Defined_Atom_Stereo_Count	0
58070804	Total_Formal_Charge	0
131167766	Molecular_Weight	109.17
7892	Defined_Atom_Stereo_Count	0
150748	Total_Formal_Charge	0
9102	Undefined_Bond_Stereo_Count	0
141282199	Covalent_Unit_Count	1
21889252	Molecular_Weight	112.08
1615208	Covalent_Unit_Count	1
71226662	Tautomer_Count	6
65974	Defined_Bond_Stereo_Count	0
15565709	TPSA	50.8
17656	Total_Formal_Charge	0
105426944	Rotatable_Bond_Count	1
656954	Defined_Bond_Stereo_Count	0
5270603	Molecular_Weight	242.23
5280794	XLogP3-AA	8.6
524217	Hydrogen_Bond_Acceptor_Count	1
5282338	Undefined_Atom_Stereo_Count	0
6918546	Structure_Complexity	692
9821849	Tautomer_Count	1
2781177	Defined_Atom_Stereo_Count	0
98231	Covalent_Unit_Count	1
170759	Undefined_Atom_Stereo_Count	0
49866693	Molecular_Weight	432.5
98341	Defined_Atom_Stereo_Count	0
7918	Hydrogen_Bond_Acceptor_Count	3
659009	Undefined_Bond_Stereo_Count	0
338733	Hydrogen_Bond_Donor_Count	1
643785	Tautomer_Count	1
46878363	Total_Formal_Charge	0
5297	TPSA	336
12282	Undefined_Bond_Stereo_Count	0
40813	Mono_Isotopic_Weight	272.09094026
20519089	Rotatable_Bond_Count	16
67962	Rotatable_Bond_Count	0
95763	Mono_Isotopic_Weight	245.0065981
3080772	Mono_Isotopic_Weight	206.08037557
193516	Covalent_Unit_Count	1
564184	Isotope_Atom_Count	0
13718	Mono_Isotopic_Weight	221.141578849
101875160	Structure_Complexity	71.4
5367460	Exact_Mass	306.255880323
3025961	Mono_Isotopic_Weight	193.089149355
6420050	Exact_Mass	341.1605153
12534	Hydrogen_Bond_Acceptor_Count	0
13490845	Hydrogen_Bond_Acceptor_Count	4
164513759	TPSA	62.2
97032	TPSA	40.5
54167752	Covalent_Unit_Count	1
21162824	Undefined_Atom_Stereo_Count	2
11623676	Mono_Isotopic_Weight	305.152812238
7778	Molecular_Weight	184.27
56955184	Defined_Bond_Stereo_Count	0
102614	TPSA	64.2
64154	Non-hydrogen_Atom_Count	11
41649	Defined_Bond_Stereo_Count	0
112264	Covalent_Unit_Count	2
125651	Mono_Isotopic_Weight	235.132076794
17845830	Mono_Isotopic_Weight	113.058911855
69785	Mono_Isotopic_Weight	498.9534782
22383	Rotatable_Bond_Count	6
59173	Non-hydrogen_Atom_Count	18
7068	Covalent_Unit_Count	1
11543205	Exact_Mass	199.08445790
3489	TPSA	109
12358320	Non-hydrogen_Atom_Count	19
11861720	Rotatable_Bond_Count	1
222714	Defined_Bond_Stereo_Count	0
19649	TPSA	336
9583	Isotope_Atom_Count	0
61158	Hydrogen_Bond_Donor_Count	2
9834591	Exact_Mass	235.01505818
15605556	Total_Formal_Charge	0
101675239	Mono_Isotopic_Weight	198.08920892
9656	Defined_Bond_Stereo_Count	0
247769	TPSA	26
4992033	Total_Formal_Charge	1
57394709	Undefined_Bond_Stereo_Count	0
70580528	Defined_Atom_Stereo_Count	7
4649	Exact_Mass	153.042593085
31225	Defined_Bond_Stereo_Count	0
12940550	Tautomer_Count	5
50939543	Hydrogen_Bond_Acceptor_Count	6
155903755	Non-hydrogen_Atom_Count	128
123962351	TPSA	0
11957535	Structure_Complexity	318
67054	Tautomer_Count	5
57112474	Defined_Atom_Stereo_Count	0
73111	Rotatable_Bond_Count	9
455658	Non-hydrogen_Atom_Count	44
162990684	Isotope_Atom_Count	0
6435401	Hydrogen_Bond_Acceptor_Count	8
9732	XLogP3	1.8
10253143	Non-hydrogen_Atom_Count	29
28503	XLogP3	3.9
15522	Exact_Mass	172.07355886
557502	Hydrogen_Bond_Donor_Count	1
10078175	Hydrogen_Bond_Donor_Count	8
13001614	Defined_Bond_Stereo_Count	0
992	Rotatable_Bond_Count	0
2752445	Undefined_Atom_Stereo_Count	0
5351141	Mono_Isotopic_Weight	435.1844180
934	Exact_Mass	57.935342
10197657	TPSA	43.1
84921	Hydrogen_Bond_Donor_Count	0
153684851	Rotatable_Bond_Count	2
134755071	Non-hydrogen_Atom_Count	60
8233	Non-hydrogen_Atom_Count	51
446986	Structure_Complexity	1440
135463451	Undefined_Bond_Stereo_Count	0
25015694	Non-hydrogen_Atom_Count	36
14236	Isotope_Atom_Count	0
140789	Defined_Atom_Stereo_Count	0
24978553	Undefined_Atom_Stereo_Count	0
115162	Hydrogen_Bond_Acceptor_Count	7
1821	Hydrogen_Bond_Donor_Count	4
162883451	Structure_Complexity	756
9322	Structure_Complexity	31.3
60196325	Exact_Mass	245.1182566
138403275	Isotope_Atom_Count	0
13662384	Hydrogen_Bond_Donor_Count	1
3625248	TPSA	106
19676	Total_Formal_Charge	0
4849	Structure_Complexity	564
71593	Defined_Atom_Stereo_Count	0
12318317	Hydrogen_Bond_Donor_Count	0
12702413	Covalent_Unit_Count	1
529268	Total_Formal_Charge	0
24181110	Total_Formal_Charge	0
131750798	Molecular_Weight	494.4
11126361	XLogP3-AA	0.5
7020624	Mono_Isotopic_Weight	99.104799419
31255	Undefined_Atom_Stereo_Count	0
23657865	Total_Formal_Charge	0
7240495	Defined_Bond_Stereo_Count	1
91240583	Hydrogen_Bond_Donor_Count	2
44590341	Molecular_Weight	476.5
146681183	Hydrogen_Bond_Acceptor_Count	5
14841958	Defined_Bond_Stereo_Count	0
91772	Isotope_Atom_Count	0
145706202	Undefined_Bond_Stereo_Count	0
3052776	Exact_Mass	171.104799419
1546	Undefined_Bond_Stereo_Count	0
6934	XLogP3-AA	0.9
54110642	Hydrogen_Bond_Donor_Count	2
67054	Undefined_Atom_Stereo_Count	0
12373717	Mono_Isotopic_Weight	114.068079557
5353970	Hydrogen_Bond_Donor_Count	1
123347622	Covalent_Unit_Count	1
56846324	Non-hydrogen_Atom_Count	21
70754	Covalent_Unit_Count	1
3011721	Undefined_Bond_Stereo_Count	0
4737	Defined_Bond_Stereo_Count	0
519946	TPSA	9.2
8454	Undefined_Atom_Stereo_Count	0
9010	Structure_Complexity	214
43375	Covalent_Unit_Count	1
13249050	Defined_Atom_Stereo_Count	0
99915	Undefined_Atom_Stereo_Count	0
1368742	Non-hydrogen_Atom_Count	21
5383	Structure_Complexity	241
9286	Total_Formal_Charge	1
839562	Total_Formal_Charge	0
84614	XLogP3-AA	3
126968609	Hydrogen_Bond_Acceptor_Count	5
124080868	Total_Formal_Charge	0
54738	Rotatable_Bond_Count	3
20335	Exact_Mass	97.076573296
5352837	Rotatable_Bond_Count	5
5288799	Total_Formal_Charge	0
53870	Tautomer_Count	3
3016	Undefined_Atom_Stereo_Count	0
819291	Exact_Mass	116.047344113
73812	Defined_Atom_Stereo_Count	0
10204	XLogP3	3.3
3000825	Isotope_Atom_Count	0
11396	TPSA	0
439176	Structure_Complexity	352
69401251	Hydrogen_Bond_Acceptor_Count	2
12326432	Hydrogen_Bond_Acceptor_Count	2
22353151	Rotatable_Bond_Count	6
11182588	Hydrogen_Bond_Donor_Count	1
54767229	Tautomer_Count	1
142752	Exact_Mass	187.157228913
8898	Non-hydrogen_Atom_Count	24
14601092	XLogP3	4.3
71469	Defined_Atom_Stereo_Count	27
4470790	Total_Formal_Charge	0
49427	Defined_Bond_Stereo_Count	0
44720578	Defined_Bond_Stereo_Count	0
12201322	Hydrogen_Bond_Donor_Count	3
18446289	Defined_Bond_Stereo_Count	0
66646	Tautomer_Count	4
22717351	Rotatable_Bond_Count	2
21713016	Undefined_Bond_Stereo_Count	0
8011	Hydrogen_Bond_Donor_Count	1
4282864	Exact_Mass	868.02333415
9548611	Defined_Atom_Stereo_Count	0
398745	Defined_Bond_Stereo_Count	0
5756	Isotope_Atom_Count	0
6102731	Rotatable_Bond_Count	10
55748	Mono_Isotopic_Weight	280.07355886
13889162	Molecular_Weight	354.35
2308	Covalent_Unit_Count	1
319701	XLogP3-AA	0.9
6360	Tautomer_Count	1
5487496	Exact_Mass	509.28897135
12184591	Non-hydrogen_Atom_Count	29
89000581	Covalent_Unit_Count	1
14366842	Mono_Isotopic_Weight	104.094963011
62842	Undefined_Atom_Stereo_Count	1
91012209	Hydrogen_Bond_Donor_Count	1
7463	Total_Formal_Charge	0
20055109	Structure_Complexity	593
74904	Total_Formal_Charge	0
11423559	Tautomer_Count	1
171144	Total_Formal_Charge	0
31277	Exact_Mass	149.99867984
68405	Hydrogen_Bond_Donor_Count	0
22081030	Undefined_Bond_Stereo_Count	0
3085877	Isotope_Atom_Count	0
72551585	Defined_Bond_Stereo_Count	0
23574562	Isotope_Atom_Count	0
831313	Total_Formal_Charge	0
54569113	Isotope_Atom_Count	0
22320	Structure_Complexity	64.6
435111	Defined_Atom_Stereo_Count	0
21255968	Rotatable_Bond_Count	2
137705128	Hydrogen_Bond_Acceptor_Count	14
8081	Mono_Isotopic_Weight	90.031694049
14642	Exact_Mass	250.15689456
11178236	Defined_Atom_Stereo_Count	0
58173	Tautomer_Count	13
139589209	Defined_Bond_Stereo_Count	5
1736	Undefined_Atom_Stereo_Count	3
118578546	XLogP3-AA	0.1
68195	Mono_Isotopic_Weight	355.06604838
135565610	Mono_Isotopic_Weight	458.15901982
16682999	Hydrogen_Bond_Acceptor_Count	6
68119	Hydrogen_Bond_Donor_Count	0
3151	Defined_Bond_Stereo_Count	0
56679112	Non-hydrogen_Atom_Count	25
67374621	Covalent_Unit_Count	1
2884	Defined_Atom_Stereo_Count	0
121	Rotatable_Bond_Count	11
71306478	Molecular_Weight	369.11
968472	Defined_Atom_Stereo_Count	0
9622	Structure_Complexity	35
9359	Hydrogen_Bond_Acceptor_Count	0
5365332	Defined_Bond_Stereo_Count	1
23680518	Defined_Atom_Stereo_Count	7
159278	Structure_Complexity	306
9813119	Undefined_Bond_Stereo_Count	0
6918173	Mono_Isotopic_Weight	1303.66079514
9989218	Structure_Complexity	68.6
141411141	Hydrogen_Bond_Acceptor_Count	2
53465914	Undefined_Bond_Stereo_Count	0
3083702	Hydrogen_Bond_Acceptor_Count	11
57283625	Defined_Atom_Stereo_Count	0
402035	Non-hydrogen_Atom_Count	32
17948845	Isotope_Atom_Count	0
289151	Isotope_Atom_Count	0
40703	Mono_Isotopic_Weight	589.14023
304016	Isotope_Atom_Count	0
4416	Undefined_Bond_Stereo_Count	0
270624	Undefined_Bond_Stereo_Count	0
287983	Non-hydrogen_Atom_Count	6
129653817	Isotope_Atom_Count	1
3117	Non-hydrogen_Atom_Count	16
6828	Undefined_Atom_Stereo_Count	0
24414	Molecular_Weight	233.39
12502856	Undefined_Atom_Stereo_Count	0
272079	Undefined_Atom_Stereo_Count	0
135445749	Isotope_Atom_Count	0
2303	Rotatable_Bond_Count	3
73449854	Mono_Isotopic_Weight	636.15196282
94355	Isotope_Atom_Count	0
9250	Hydrogen_Bond_Acceptor_Count	0
16620	Undefined_Bond_Stereo_Count	0
442941	Covalent_Unit_Count	1
13413379	Undefined_Bond_Stereo_Count	0
162290	Non-hydrogen_Atom_Count	46
51017507	Structure_Complexity	2330
137658	Rotatable_Bond_Count	4
3037171	XLogP3-AA	1.5
76449347	Hydrogen_Bond_Donor_Count	3
125042028	Hydrogen_Bond_Acceptor_Count	1
2762895	Exact_Mass	110.048012819
19592	Structure_Complexity	409
11010340	TPSA	63.6
231934	Undefined_Atom_Stereo_Count	0
239041	Molecular_Weight	55.08
1266	TPSA	83.2
86289068	Rotatable_Bond_Count	0
12744661	Mono_Isotopic_Weight	83.048347172
10219763	Hydrogen_Bond_Acceptor_Count	6
220175	Defined_Bond_Stereo_Count	0
3893	XLogP3	4.2
12161	Mono_Isotopic_Weight	118.078250319
30251	Defined_Atom_Stereo_Count	0
4962	Molecular_Weight	390.5
8216	Tautomer_Count	1
40489	Defined_Bond_Stereo_Count	0
446069	Structure_Complexity	417
16211654	Hydrogen_Bond_Acceptor_Count	1
5257090	Rotatable_Bond_Count	1
77828	Undefined_Bond_Stereo_Count	0
34572	Defined_Bond_Stereo_Count	0
9798496	Defined_Bond_Stereo_Count	1
5242433	Defined_Bond_Stereo_Count	0
16213473	Hydrogen_Bond_Acceptor_Count	8
21576	Undefined_Atom_Stereo_Count	0
8405	Defined_Atom_Stereo_Count	0
4217966	TPSA	69.1
89318	Structure_Complexity	908
115739	Undefined_Atom_Stereo_Count	1
44093	Structure_Complexity	244
57478179	Undefined_Bond_Stereo_Count	0
73695606	Non-hydrogen_Atom_Count	7
18406174	Hydrogen_Bond_Acceptor_Count	2
90220053	Non-hydrogen_Atom_Count	8
12908367	Undefined_Atom_Stereo_Count	1
73306	Defined_Bond_Stereo_Count	0
70255	Total_Formal_Charge	0
141411963	Structure_Complexity	90.2
12634653	Total_Formal_Charge	0
53319739	Molecular_Weight	279.29
21447199	Hydrogen_Bond_Acceptor_Count	1
160940	Molecular_Weight	298.72
58099153	Non-hydrogen_Atom_Count	8
404289	Non-hydrogen_Atom_Count	23
21868057	Mono_Isotopic_Weight	96.093900383
135027	Mono_Isotopic_Weight	297.209264485
12695	Defined_Bond_Stereo_Count	0
1548900	Defined_Bond_Stereo_Count	0
3038501	Undefined_Atom_Stereo_Count	0
25548	Structure_Complexity	1570
55560	Molecular_Weight	554.7
54419	Total_Formal_Charge	0
129654479	TPSA	29.6
5966	Hydrogen_Bond_Donor_Count	0
50905007	Covalent_Unit_Count	1
69501250	Defined_Bond_Stereo_Count	0
6443047	Hydrogen_Bond_Acceptor_Count	1
28230148	Isotope_Atom_Count	0
98181815	Exact_Mass	284.16237386
9793705	XLogP3-AA	0.5
7762	XLogP3-AA	1.3
70696864	Rotatable_Bond_Count	6
13463348	Total_Formal_Charge	0
18831	Covalent_Unit_Count	1
15747657	Total_Formal_Charge	0
81821	Undefined_Bond_Stereo_Count	0
157820065	Hydrogen_Bond_Acceptor_Count	5
21938314	Defined_Bond_Stereo_Count	0
9870185	TPSA	90.9
6326976	Mono_Isotopic_Weight	143.93774716
26175	Tautomer_Count	1
10537	Undefined_Bond_Stereo_Count	0
758	Undefined_Bond_Stereo_Count	0
10931378	Total_Formal_Charge	0
11296670	Isotope_Atom_Count	0
5373493	Mono_Isotopic_Weight	156.01710661
28768	Undefined_Atom_Stereo_Count	0
8008	Hydrogen_Bond_Acceptor_Count	1
4323	Hydrogen_Bond_Donor_Count	4
89453139	Structure_Complexity	167
5270603	Undefined_Atom_Stereo_Count	0
11585872	Hydrogen_Bond_Acceptor_Count	2
556872	Exact_Mass	112.088815002
129662960	XLogP3-AA	5.3
9969613	TPSA	80.5
123173	Mono_Isotopic_Weight	40.0313001276
3413278	Structure_Complexity	601
54765302	Rotatable_Bond_Count	4
129009973	Hydrogen_Bond_Acceptor_Count	4
449013	Tautomer_Count	2
10689555	Hydrogen_Bond_Acceptor_Count	9
28864	Mono_Isotopic_Weight	338.21066147
16052007	Exact_Mass	543.16235406
61361	Total_Formal_Charge	0
76967371	TPSA	58.2
6715	Rotatable_Bond_Count	1
131744	Total_Formal_Charge	0
3794	Defined_Bond_Stereo_Count	0
10435916	Exact_Mass	496.19335446
31272	Total_Formal_Charge	0
4320947	Tautomer_Count	1
333850	TPSA	118
6433083	Undefined_Bond_Stereo_Count	0
198756	Defined_Bond_Stereo_Count	0
1720	Exact_Mass	212.058577502
44419240	Exact_Mass	341.11979803
87110	Rotatable_Bond_Count	0
12259682	Structure_Complexity	414
172469	TPSA	323
72665	Defined_Atom_Stereo_Count	0
91798954	Rotatable_Bond_Count	15
10818	Covalent_Unit_Count	1
56631355	Exact_Mass	116.083729621
1794427	Defined_Bond_Stereo_Count	1
10948203	Covalent_Unit_Count	1
68321730	Molecular_Weight	387.8
118371793	Structure_Complexity	171
82711397	Undefined_Bond_Stereo_Count	0
65772	Mono_Isotopic_Weight	345.15762283
6918456	Structure_Complexity	555
517232	Total_Formal_Charge	0
159876	Undefined_Atom_Stereo_Count	8
21266636	Defined_Bond_Stereo_Count	0
439231	Tautomer_Count	4
56427	Molecular_Weight	217.31
135412781	TPSA	82.2
78422661	Undefined_Atom_Stereo_Count	1
693318	Undefined_Bond_Stereo_Count	0
2461	XLogP3	2.9
91986	Hydrogen_Bond_Donor_Count	0
22906680	Isotope_Atom_Count	0
219025	Structure_Complexity	800
114789	XLogP3-AA	0.6
66992268	Mono_Isotopic_Weight	539.33485853
131721456	Hydrogen_Bond_Donor_Count	1
9504	Exact_Mass	153.058992041
9793723	Isotope_Atom_Count	0
5262	Hydrogen_Bond_Donor_Count	4
28620	Exact_Mass	942.48243013
44563116	Mono_Isotopic_Weight	419.24335857
90452	Structure_Complexity	146
5086	Exact_Mass	265.06851135
10082421	TPSA	46.5
71115	Hydrogen_Bond_Acceptor_Count	2
71356052	Undefined_Atom_Stereo_Count	0
9797798	Mono_Isotopic_Weight	335.07040306
23655	Exact_Mass	311.2015923
5113032	Undefined_Atom_Stereo_Count	1
14256301	Hydrogen_Bond_Acceptor_Count	3
67242631	Isotope_Atom_Count	0
10997105	Undefined_Bond_Stereo_Count	0
3638	Isotope_Atom_Count	0
521151	XLogP3-AA	0.3
91370278	Covalent_Unit_Count	1
86380	Undefined_Bond_Stereo_Count	0
134693050	Undefined_Atom_Stereo_Count	7
940002	Mono_Isotopic_Weight	252.126263138
20193	Exact_Mass	541.080201
52946950	Covalent_Unit_Count	1
138564	Covalent_Unit_Count	1
76104436	Hydrogen_Bond_Donor_Count	0
86007746	Undefined_Bond_Stereo_Count	0
638678	TPSA	150
21879777	Non-hydrogen_Atom_Count	11
134472	Rotatable_Bond_Count	1
89261068	Structure_Complexity	109
78166	Defined_Bond_Stereo_Count	0
11954041	Non-hydrogen_Atom_Count	24
25516	Undefined_Bond_Stereo_Count	0
91760	Rotatable_Bond_Count	3
102004933	Defined_Bond_Stereo_Count	0
5321318	Covalent_Unit_Count	1
18407	Isotope_Atom_Count	0
21265	Molecular_Weight	190.24
68783	Undefined_Bond_Stereo_Count	0
12550422	Rotatable_Bond_Count	0
91759	Hydrogen_Bond_Acceptor_Count	8
5311047	Defined_Atom_Stereo_Count	2
440552	Covalent_Unit_Count	1
559799	Tautomer_Count	1
61265	Exact_Mass	115.099714038
9906028	Defined_Bond_Stereo_Count	0
439520	Hydrogen_Bond_Acceptor_Count	5
13401731	Molecular_Weight	83.13
66335	Covalent_Unit_Count	1
12513422	Mono_Isotopic_Weight	96.057514874
56683653	Undefined_Bond_Stereo_Count	0
33135	Non-hydrogen_Atom_Count	10
6435824	Defined_Atom_Stereo_Count	0
5329098	Undefined_Bond_Stereo_Count	0
46936422	Molecular_Weight	867.1
9141	Undefined_Atom_Stereo_Count	0
60287	XLogP3-AA	3.6
17930361	Total_Formal_Charge	0
5281107	Tautomer_Count	1
163988282	Undefined_Bond_Stereo_Count	0
93706	XLogP3-AA	15.5
4479	Undefined_Atom_Stereo_Count	9
12725	Total_Formal_Charge	0
11948	XLogP3	5.5
69667	Molecular_Weight	104.15
86811213	Exact_Mass	223.10199966
76141	Mono_Isotopic_Weight	71.073499291
42037	Defined_Atom_Stereo_Count	0
30251	TPSA	16.6
13015037	Hydrogen_Bond_Acceptor_Count	6
262352	Hydrogen_Bond_Donor_Count	1
5459861	Non-hydrogen_Atom_Count	13
27993	TPSA	89
446576	Defined_Bond_Stereo_Count	0
8246	Mono_Isotopic_Weight	302.06299
2734167	TPSA	8.8
22348641	Defined_Atom_Stereo_Count	0
23199904	Total_Formal_Charge	0
7663	Hydrogen_Bond_Donor_Count	0
13070333	TPSA	17.1
60573	TPSA	23.5
5581	Covalent_Unit_Count	1
136703	Isotope_Atom_Count	0
2912	Structure_Complexity	643
3015783	Molecular_Weight	558.83
13055556	Isotope_Atom_Count	0
141344	Undefined_Atom_Stereo_Count	1
82326	Molecular_Weight	151.68
65837	Tautomer_Count	4
14297145	Mono_Isotopic_Weight	236.00449107
222548	Hydrogen_Bond_Acceptor_Count	0
2764874	TPSA	63.4
166957	Exact_Mass	196.96721
87548108	Molecular_Weight	110.11
53674114	Undefined_Bond_Stereo_Count	0
14146878	Isotope_Atom_Count	0
40652	Isotope_Atom_Count	0
9999276	Hydrogen_Bond_Acceptor_Count	6
71463896	Total_Formal_Charge	0
636397	Rotatable_Bond_Count	7
130443213	Undefined_Atom_Stereo_Count	0
1268142	Molecular_Weight	218.33
4390	Defined_Atom_Stereo_Count	0
153709385	Total_Formal_Charge	0
14405752	Hydrogen_Bond_Donor_Count	2
12001	Exact_Mass	132.05349212
23207406	Undefined_Bond_Stereo_Count	0
15118	Hydrogen_Bond_Donor_Count	1
4019	Tautomer_Count	1
154101	TPSA	38.3
24385	Defined_Atom_Stereo_Count	0
24458	Defined_Atom_Stereo_Count	0
221	Undefined_Bond_Stereo_Count	0
12869982	Hydrogen_Bond_Acceptor_Count	1
5464343	Molecular_Weight	405.4
91696191	Molecular_Weight	261.12
23379007	Rotatable_Bond_Count	0
72913	Total_Formal_Charge	0
11192	Isotope_Atom_Count	0
22160812	Defined_Bond_Stereo_Count	0
6917874	Hydrogen_Bond_Acceptor_Count	17
68626	Covalent_Unit_Count	2
125468	Molecular_Weight	100.12
439176	Hydrogen_Bond_Donor_Count	3
55185	Mono_Isotopic_Weight	748.50852574
103	Undefined_Bond_Stereo_Count	0
25191022	Mono_Isotopic_Weight	510.1782311
135408511	Tautomer_Count	16
80076	Mono_Isotopic_Weight	92.0028925
22053264	Isotope_Atom_Count	0
57339238	Covalent_Unit_Count	3
443955	Molecular_Weight	350.5
11061	Rotatable_Bond_Count	9
24871267	Undefined_Atom_Stereo_Count	0
7075	Covalent_Unit_Count	1
53464	Structure_Complexity	322
138394057	Covalent_Unit_Count	1
7646	XLogP3	3
720561	Defined_Atom_Stereo_Count	0
129627774	Undefined_Bond_Stereo_Count	0
57417230	Hydrogen_Bond_Donor_Count	5
91315907	Structure_Complexity	82.2
60196424	Non-hydrogen_Atom_Count	27
10507011	Defined_Atom_Stereo_Count	0
23689390	Defined_Bond_Stereo_Count	0
66541	Tautomer_Count	1
65872	TPSA	44.8
22749	Non-hydrogen_Atom_Count	8
11528337	Undefined_Atom_Stereo_Count	0
158770620	Defined_Atom_Stereo_Count	0
949	Defined_Atom_Stereo_Count	0
4674	Structure_Complexity	243
87953	Undefined_Atom_Stereo_Count	0
7948	Rotatable_Bond_Count	0
30468	Defined_Bond_Stereo_Count	0
45266541	Hydrogen_Bond_Donor_Count	5
16760063	Non-hydrogen_Atom_Count	34
10857507	Exact_Mass	238.06886740
6327350	Hydrogen_Bond_Donor_Count	0
796414	Molecular_Weight	276.37
23663418	Non-hydrogen_Atom_Count	23
71625548	Rotatable_Bond_Count	10
2273	Tautomer_Count	7
9955578	Tautomer_Count	2
20477345	Defined_Atom_Stereo_Count	0
123683	Rotatable_Bond_Count	5
13334303	Non-hydrogen_Atom_Count	8
49426	Defined_Atom_Stereo_Count	0
164	TPSA	82.4
21189145	Undefined_Atom_Stereo_Count	0
205324	Rotatable_Bond_Count	0
28830	Non-hydrogen_Atom_Count	19
17861	Molecular_Weight	137.18
9356	Covalent_Unit_Count	1
23679004	Isotope_Atom_Count	0
90715238	TPSA	40.5
58195	Total_Formal_Charge	0
101626738	Defined_Atom_Stereo_Count	6
23158752	Undefined_Bond_Stereo_Count	0
2784	Hydrogen_Bond_Donor_Count	1
64049	Defined_Atom_Stereo_Count	0
11101	Rotatable_Bond_Count	1
304265	Total_Formal_Charge	0
3449165	Covalent_Unit_Count	1
3658056	Total_Formal_Charge	0
24892775	Defined_Atom_Stereo_Count	6
12302663	Undefined_Bond_Stereo_Count	0
2155	Defined_Bond_Stereo_Count	0
124809075	Defined_Atom_Stereo_Count	16
5458730	Structure_Complexity	1210
89371029	TPSA	38
91908	Defined_Bond_Stereo_Count	0
42231	Undefined_Atom_Stereo_Count	0
30318	Undefined_Bond_Stereo_Count	0
724228	XLogP3-AA	4.7
10477191	Defined_Atom_Stereo_Count	1
91230338	Hydrogen_Bond_Acceptor_Count	0
7017	Mono_Isotopic_Weight	170.073164938
65258	Undefined_Atom_Stereo_Count	0
5064267	TPSA	176
3482	Hydrogen_Bond_Acceptor_Count	6
10039	Defined_Atom_Stereo_Count	0
5319879	Mono_Isotopic_Weight	356.29265975
1489495	Defined_Atom_Stereo_Count	0
6710	Rotatable_Bond_Count	0
69238	Defined_Atom_Stereo_Count	0
166718	Undefined_Atom_Stereo_Count	0
107720	TPSA	107
15109863	Hydrogen_Bond_Acceptor_Count	1
43367	Non-hydrogen_Atom_Count	19
21863610	Structure_Complexity	88.7
13814	Non-hydrogen_Atom_Count	39
8551	Undefined_Bond_Stereo_Count	0
4871	Molecular_Weight	420.5
680429	Molecular_Weight	338.4
23581869	TPSA	90.1
135410875	Hydrogen_Bond_Donor_Count	6
14534553	Hydrogen_Bond_Donor_Count	2
6603	Mono_Isotopic_Weight	155.167399674
21864560	Exact_Mass	1212.68532087
19918535	Undefined_Bond_Stereo_Count	0
23278715	Structure_Complexity	872
85382	Rotatable_Bond_Count	4
123135747	Defined_Atom_Stereo_Count	2
15234	Undefined_Bond_Stereo_Count	0
104775	Undefined_Bond_Stereo_Count	0
316975	Molecular_Weight	209.22
11217523	Defined_Bond_Stereo_Count	0
13651	Undefined_Bond_Stereo_Count	0
15643399	Undefined_Bond_Stereo_Count	0
17045	XLogP3-AA	0.5
9183	Undefined_Bond_Stereo_Count	0
4355	Defined_Atom_Stereo_Count	0
46164	Exact_Mass	368.20999276
60118	Undefined_Atom_Stereo_Count	0
413546	Covalent_Unit_Count	1
71494926	Exact_Mass	844.32837076
62092	Exact_Mass	192.115029749
11674	Total_Formal_Charge	0
117891679	TPSA	17.1
4030	Rotatable_Bond_Count	4
21655019	XLogP3-AA	0
67810472	Covalent_Unit_Count	1
121587	Non-hydrogen_Atom_Count	22
5460024	Undefined_Bond_Stereo_Count	0
21864164	Hydrogen_Bond_Acceptor_Count	3
703128	Hydrogen_Bond_Donor_Count	1
124823	Defined_Bond_Stereo_Count	0
10035228	Covalent_Unit_Count	1
360081	Defined_Atom_Stereo_Count	0
123223196	Covalent_Unit_Count	1
57515953	Exact_Mass	460.108726
4995	Non-hydrogen_Atom_Count	9
3264	Defined_Atom_Stereo_Count	0
81890	Defined_Atom_Stereo_Count	0
13352309	TPSA	18.5
44310002	Covalent_Unit_Count	1
69834	Molecular_Weight	109.17
5573	Defined_Atom_Stereo_Count	0
5284476	Isotope_Atom_Count	0
345	Non-hydrogen_Atom_Count	13
8528	Undefined_Bond_Stereo_Count	1
6857	Defined_Bond_Stereo_Count	0
451189	Defined_Atom_Stereo_Count	0
7180	XLogP3	3.6
16600	Structure_Complexity	670
6603697	Total_Formal_Charge	0
5376036	Molecular_Weight	212.20
90728924	Undefined_Bond_Stereo_Count	0
593	Tautomer_Count	3
1338	Hydrogen_Bond_Donor_Count	0
444030	Defined_Bond_Stereo_Count	0
22321577	Total_Formal_Charge	0
69462	Undefined_Atom_Stereo_Count	0
447297	Structure_Complexity	477
70694805	XLogP3-AA	0.6
77999	Non-hydrogen_Atom_Count	25
676166	Defined_Bond_Stereo_Count	0
118460906	Hydrogen_Bond_Donor_Count	8
45	Undefined_Atom_Stereo_Count	0
102614	Isotope_Atom_Count	0
56955280	XLogP3-AA	4.6
91711338	Total_Formal_Charge	0
21930930	Exact_Mass	108.032362755
65432	Total_Formal_Charge	0
23305305	Undefined_Atom_Stereo_Count	0
4033	Undefined_Atom_Stereo_Count	0
33251	Defined_Bond_Stereo_Count	0
88155838	Defined_Atom_Stereo_Count	5
85026	Defined_Atom_Stereo_Count	0
153939154	Rotatable_Bond_Count	0
12400482	Exact_Mass	112.088815002
140229090	TPSA	21.6
79865794	Exact_Mass	112.088815002
148197	Undefined_Bond_Stereo_Count	0
2206	Defined_Atom_Stereo_Count	0
11073365	Total_Formal_Charge	0
169005	Undefined_Bond_Stereo_Count	0
4996851	Mono_Isotopic_Weight	190.00866719
5882188	Rotatable_Bond_Count	2
71342	Hydrogen_Bond_Acceptor_Count	4
45437	Undefined_Bond_Stereo_Count	1
4713	Hydrogen_Bond_Acceptor_Count	4
5328940	Mono_Isotopic_Weight	529.1647452
53917786	Defined_Bond_Stereo_Count	0
1550887	Molecular_Weight	264.3
85764696	Covalent_Unit_Count	1
71395877	Total_Formal_Charge	0
1892	Exact_Mass	224.09094026
21642823	Undefined_Atom_Stereo_Count	0
642765	Defined_Atom_Stereo_Count	0
7016383	Tautomer_Count	2
5916968	Molecular_Weight	557.6
5459211	Undefined_Bond_Stereo_Count	0
12878836	XLogP3	3
122173102	Non-hydrogen_Atom_Count	64
10219384	Mono_Isotopic_Weight	96.9613912
62883	Hydrogen_Bond_Acceptor_Count	10
12750169	Undefined_Atom_Stereo_Count	0
9829419	Structure_Complexity	903
147007373	Hydrogen_Bond_Acceptor_Count	1
82167	Undefined_Bond_Stereo_Count	0
10962	Exact_Mass	183.97490
518944	Undefined_Atom_Stereo_Count	0
12676	Rotatable_Bond_Count	2
157429	Hydrogen_Bond_Acceptor_Count	13
69787	Undefined_Atom_Stereo_Count	0
6450816	Mono_Isotopic_Weight	612.2173192
5359367	Undefined_Bond_Stereo_Count	0
8673	TPSA	151
132274074	Non-hydrogen_Atom_Count	115
156592059	Exact_Mass	895.04440356
6917949	Rotatable_Bond_Count	7
1115	Total_Formal_Charge	0
60195813	Structure_Complexity	434
26470417	Isotope_Atom_Count	0
5323927	Isotope_Atom_Count	0
12214112	Undefined_Bond_Stereo_Count	0
11993	Tautomer_Count	1
11194307	Undefined_Atom_Stereo_Count	1
88729	XLogP3	3.9
16685262	Defined_Bond_Stereo_Count	0
21894763	Covalent_Unit_Count	1
3657	Molecular_Weight	76.055
59110799	Defined_Bond_Stereo_Count	0
13201	Mono_Isotopic_Weight	116.083729621
57750382	Undefined_Atom_Stereo_Count	1
17253	Undefined_Atom_Stereo_Count	0
10131134	Defined_Bond_Stereo_Count	0
656743	Covalent_Unit_Count	1
12524	Isotope_Atom_Count	0
34633	Exact_Mass	427.15657746
56955286	Non-hydrogen_Atom_Count	28
49426	Structure_Complexity	261
9824345	Mono_Isotopic_Weight	436.15691181
8168	XLogP3	5.9
557608	Molecular_Weight	138.21
72302	Covalent_Unit_Count	1
13977927	Exact_Mass	100.052429494
693167	TPSA	52.8
21873527	Total_Formal_Charge	0
518964	Structure_Complexity	37.4
60510	Isotope_Atom_Count	0
88022	Undefined_Bond_Stereo_Count	0
22087370	Undefined_Bond_Stereo_Count	0
42078	Mono_Isotopic_Weight	352.2029893
5259916	Hydrogen_Bond_Donor_Count	2
198016	Undefined_Atom_Stereo_Count	3
9848989	TPSA	62.2
54173839	Non-hydrogen_Atom_Count	7
35331	Structure_Complexity	300
102435360	Undefined_Bond_Stereo_Count	0
121267708	Defined_Bond_Stereo_Count	0
11115995	Hydrogen_Bond_Donor_Count	0
73759759	Isotope_Atom_Count	0
539077	Total_Formal_Charge	0
269	Exact_Mass	1715.97105783
10028830	Hydrogen_Bond_Donor_Count	4
23557886	Covalent_Unit_Count	1
279451	Defined_Bond_Stereo_Count	0
657202	Molecular_Weight	282.4
44392124	Undefined_Bond_Stereo_Count	0
11320921	Exact_Mass	111.068413911
58823276	Defined_Atom_Stereo_Count	0
37953	Covalent_Unit_Count	1
10489	Total_Formal_Charge	0
850502	Non-hydrogen_Atom_Count	21
59759853	TPSA	17.1
99404	TPSA	9.2
240767	Tautomer_Count	6
52230	Molecular_Weight	290.31
694648	TPSA	37.3
23652731	TPSA	71
87106053	TPSA	38.6
411312	Molecular_Weight	299.4
65987055	Non-hydrogen_Atom_Count	7
109029	Defined_Atom_Stereo_Count	0
447405	Defined_Bond_Stereo_Count	0
40146	Exact_Mass	240.126263138
260968	Non-hydrogen_Atom_Count	19
20041648	XLogP3-AA	0.4
3693	Undefined_Bond_Stereo_Count	0
237953	Undefined_Atom_Stereo_Count	0
32443	Total_Formal_Charge	0
69889594	Undefined_Atom_Stereo_Count	1
97390	Rotatable_Bond_Count	0
124224929	Undefined_Atom_Stereo_Count	0
6015	Non-hydrogen_Atom_Count	27
23700188	Undefined_Bond_Stereo_Count	0
135474265	Defined_Bond_Stereo_Count	0
70696332	Hydrogen_Bond_Donor_Count	1
7642	Exact_Mass	412.35526001
28486	Mono_Isotopic_Weight	7.01600343
89921642	Isotope_Atom_Count	0
41938	Molecular_Weight	215.29
23010	Tautomer_Count	1
5877	Rotatable_Bond_Count	4
129831062	Undefined_Bond_Stereo_Count	2
34230	Molecular_Weight	725.0
6777	Hydrogen_Bond_Donor_Count	0
718862	Defined_Atom_Stereo_Count	0
165359778	TPSA	17.1
58831415	Undefined_Atom_Stereo_Count	4
841	Structure_Complexity	135
82538	Total_Formal_Charge	0
1163242	Molecular_Weight	382.5
11658860	Non-hydrogen_Atom_Count	13
163317	Molecular_Weight	218.25
18323753	Hydrogen_Bond_Donor_Count	0
493570	Exact_Mass	376.13828437
155087254	Non-hydrogen_Atom_Count	85
5311398	Covalent_Unit_Count	2
54710743	Total_Formal_Charge	1
2576	Covalent_Unit_Count	1
86890	Non-hydrogen_Atom_Count	60
3609	Tautomer_Count	27
21749202	XLogP3-AA	0.1
22397445	Undefined_Atom_Stereo_Count	0
3613546	Defined_Bond_Stereo_Count	0
6444826	Structure_Complexity	516
76674	Defined_Atom_Stereo_Count	0
23111554	Undefined_Atom_Stereo_Count	1
13082758	Non-hydrogen_Atom_Count	7
24453	Total_Formal_Charge	0
16219444	Defined_Atom_Stereo_Count	1
10960920	Non-hydrogen_Atom_Count	24
444036	Mono_Isotopic_Weight	500.18442974
55287853	Defined_Atom_Stereo_Count	0
8878	Structure_Complexity	130
44531649	Hydrogen_Bond_Acceptor_Count	4
25110841	Defined_Bond_Stereo_Count	0
62576	Isotope_Atom_Count	0
26514	Defined_Atom_Stereo_Count	0
542305	Exact_Mass	118.099379685
19212	Undefined_Atom_Stereo_Count	0
