5391612	Molecular_Weight	299.28
6516	Mono_Isotopic_Weight	190.10252097
143061	Defined_Atom_Stereo_Count	0
451668	Rotatable_Bond_Count	2
146157141	Defined_Atom_Stereo_Count	1
138	TPSA	63.3
19816186	Structure_Complexity	107
18938	Total_Formal_Charge	0
44338969	Total_Formal_Charge	0
64371	XLogP3-AA	3.5
118426	Hydrogen_Bond_Donor_Count	1
70690020	TPSA	68.2
99987	Undefined_Atom_Stereo_Count	1
151476	Mono_Isotopic_Weight	235.98105
8667	Defined_Bond_Stereo_Count	0
122376379	Defined_Atom_Stereo_Count	3
38253	Non-hydrogen_Atom_Count	17
20517187	Defined_Atom_Stereo_Count	0
75714	Isotope_Atom_Count	0
140377273	Structure_Complexity	72.9
71268957	Hydrogen_Bond_Acceptor_Count	6
9984374	Hydrogen_Bond_Acceptor_Count	12
731455	Defined_Bond_Stereo_Count	0
10410064	Structure_Complexity	686
11315446	Exact_Mass	396.20738760
63390	Molecular_Weight	295.4
29746	Molecular_Weight	182.30
3045402	Rotatable_Bond_Count	0
9797059	Molecular_Weight	318.30
642132	Undefined_Bond_Stereo_Count	0
9019	Defined_Atom_Stereo_Count	0
168131	Non-hydrogen_Atom_Count	19
22817	Undefined_Atom_Stereo_Count	0
40896	Molecular_Weight	310.29
58247643	Rotatable_Bond_Count	1
21252133	Molecular_Weight	114.19
77687	Covalent_Unit_Count	1
22661080	Total_Formal_Charge	0
98044763	Defined_Bond_Stereo_Count	0
20449	Defined_Bond_Stereo_Count	0
139085816	Covalent_Unit_Count	1
134914194	Covalent_Unit_Count	1
57069375	Defined_Atom_Stereo_Count	6
20767638	Molecular_Weight	113.12
277767	Non-hydrogen_Atom_Count	18
12559270	Undefined_Bond_Stereo_Count	0
127243400	Exact_Mass	733.52411623
104774	Undefined_Atom_Stereo_Count	0
164330	Covalent_Unit_Count	9
4453511	Structure_Complexity	417
15208	Hydrogen_Bond_Acceptor_Count	4
134823887	Covalent_Unit_Count	2
33341	Isotope_Atom_Count	0
135487863	Defined_Bond_Stereo_Count	1
135779828	Covalent_Unit_Count	1
46937059	Mono_Isotopic_Weight	281.10519334
66965363	Tautomer_Count	53
13037720	Hydrogen_Bond_Donor_Count	3
635	Mono_Isotopic_Weight	214.02423968
6857538	Defined_Atom_Stereo_Count	2
13990016	Defined_Bond_Stereo_Count	0
6386307	Molecular_Weight	354.5
73943	Undefined_Bond_Stereo_Count	0
7403	XLogP3	3.9
136037280	Defined_Atom_Stereo_Count	0
674754	Exact_Mass	314.05725734
3692772	Structure_Complexity	171
68790	XLogP3	3
2655	TPSA	201
88533	Tautomer_Count	1
688451	Molecular_Weight	236.31
153903811	Structure_Complexity	32.9
126664809	XLogP3	0.9
478951	TPSA	195
8408	Undefined_Bond_Stereo_Count	0
92043128	Hydrogen_Bond_Acceptor_Count	13
54058352	Mono_Isotopic_Weight	115.063328530
5354	Non-hydrogen_Atom_Count	23
196987	Hydrogen_Bond_Acceptor_Count	2
65564	Undefined_Atom_Stereo_Count	0
69135	Undefined_Bond_Stereo_Count	0
12242916	Hydrogen_Bond_Acceptor_Count	0
143047391	Undefined_Atom_Stereo_Count	0
102692	TPSA	9.2
121323963	Total_Formal_Charge	0
48918	Non-hydrogen_Atom_Count	20
53677339	Defined_Bond_Stereo_Count	0
6557	Total_Formal_Charge	0
24582	XLogP3-AA	13
6249	Rotatable_Bond_Count	4
420	Isotope_Atom_Count	0
83969	Defined_Bond_Stereo_Count	0
123911014	Undefined_Atom_Stereo_Count	0
447569	Defined_Atom_Stereo_Count	2
21823	Mono_Isotopic_Weight	217.110278721
131535	Molecular_Weight	623.7
20233665	Covalent_Unit_Count	1
9549904	Defined_Atom_Stereo_Count	3
141103237	Non-hydrogen_Atom_Count	8
10444	Mono_Isotopic_Weight	89.02992040
66080	Mono_Isotopic_Weight	96.093900383
8911	Total_Formal_Charge	0
11554076	Hydrogen_Bond_Donor_Count	1
10159630	Covalent_Unit_Count	1
10987215	Molecular_Weight	198.05
12721	Undefined_Bond_Stereo_Count	1
132594558	Undefined_Atom_Stereo_Count	1
53483390	Defined_Atom_Stereo_Count	5
35367	Exact_Mass	112.125200510
10913	Undefined_Atom_Stereo_Count	0
18777	Mono_Isotopic_Weight	637.10897582
18776	Molecular_Weight	681.7
509864	Molecular_Weight	437.6
135398559	Undefined_Bond_Stereo_Count	0
16051942	Non-hydrogen_Atom_Count	27
11379	Isotope_Atom_Count	0
12465658	Total_Formal_Charge	0
12632903	Structure_Complexity	67.3
129695690	Total_Formal_Charge	0
67184	Defined_Bond_Stereo_Count	0
419490	Exact_Mass	125.047678466
9334	TPSA	18.1
20038	XLogP3	3
68184523	Exact_Mass	106.041864811
153989152	Molecular_Weight	111.10
68081017	TPSA	20.2
73662	Hydrogen_Bond_Acceptor_Count	9
65484	Isotope_Atom_Count	0
84647610	Covalent_Unit_Count	1
9547713	Total_Formal_Charge	0
79137	TPSA	35.5
535824	Structure_Complexity	66.7
11263727	Undefined_Bond_Stereo_Count	0
14202705	Isotope_Atom_Count	0
8398	Total_Formal_Charge	0
4427	Isotope_Atom_Count	0
9483	Rotatable_Bond_Count	1
25014762	Structure_Complexity	553
969097	Mono_Isotopic_Weight	288.11100700
88800	Undefined_Atom_Stereo_Count	0
73813	Rotatable_Bond_Count	0
1385	Undefined_Atom_Stereo_Count	0
6102761	Defined_Atom_Stereo_Count	3
158794	Exact_Mass	315.14705815
164825	Molecular_Weight	534.4
13651	TPSA	12.9
71459165	Rotatable_Bond_Count	3
15325	XLogP3	2
7017620	TPSA	38
15988075	Mono_Isotopic_Weight	362.08782677
12468302	TPSA	36.3
146680	Structure_Complexity	753
124427926	Covalent_Unit_Count	1
628889	Isotope_Atom_Count	0
129847429	Molecular_Weight	360.38
5460348	Undefined_Bond_Stereo_Count	0
136477	Total_Formal_Charge	0
20011	Molecular_Weight	251.15
21887872	Mono_Isotopic_Weight	82.0185425
123744867	Hydrogen_Bond_Acceptor_Count	1
253602	TPSA	67.8
51003564	Mono_Isotopic_Weight	256.121177757
135445969	Defined_Bond_Stereo_Count	0
37888405	Undefined_Bond_Stereo_Count	0
10727124	XLogP3-AA	2.9
1652	Defined_Bond_Stereo_Count	0
115157	Rotatable_Bond_Count	22
12500872	Molecular_Weight	100.16
10131132	Structure_Complexity	222
5362065	Undefined_Atom_Stereo_Count	0
17043	Total_Formal_Charge	0
57420151	Rotatable_Bond_Count	0
9113	Non-hydrogen_Atom_Count	42
519218	Covalent_Unit_Count	2
32817	Total_Formal_Charge	0
75931	Mono_Isotopic_Weight	400.287849157
11075477	Defined_Atom_Stereo_Count	0
2737121	Undefined_Bond_Stereo_Count	0
27020	Mono_Isotopic_Weight	643.71052
91469	Total_Formal_Charge	0
65958	Undefined_Bond_Stereo_Count	0
150	Hydrogen_Bond_Acceptor_Count	8
24211936	XLogP3	0.9
167085	Rotatable_Bond_Count	0
44792	Mono_Isotopic_Weight	173.177964357
54682930	Total_Formal_Charge	0
54120934	Structure_Complexity	67.2
28858	Defined_Atom_Stereo_Count	0
10351178	Covalent_Unit_Count	1
47320	Molecular_Weight	1243.5
60182	Undefined_Atom_Stereo_Count	1
104234	Molecular_Weight	299.4
40813	Mono_Isotopic_Weight	272.09094026
85025	Total_Formal_Charge	0
86747	Covalent_Unit_Count	1
78284	Molecular_Weight	132.59
7873	Defined_Bond_Stereo_Count	0
68741938	Defined_Bond_Stereo_Count	0
59189978	TPSA	12.5
5464253	Hydrogen_Bond_Acceptor_Count	10
659009	Mono_Isotopic_Weight	313.14264148
11315250	Isotope_Atom_Count	0
81946	Structure_Complexity	268
143196	TPSA	44.7
19001504	Undefined_Bond_Stereo_Count	0
6450551	Undefined_Atom_Stereo_Count	0
55289472	Molecular_Weight	100.12
91301203	Defined_Bond_Stereo_Count	0
71743843	Undefined_Atom_Stereo_Count	0
23681382	Undefined_Atom_Stereo_Count	0
86083878	Mono_Isotopic_Weight	94.078250319
2723772	Exact_Mass	116.01566732
6540262	Covalent_Unit_Count	1
10887837	Undefined_Atom_Stereo_Count	0
55245	XLogP3-AA	3.8
80715	Total_Formal_Charge	0
92024228	Non-hydrogen_Atom_Count	18
57043	Mono_Isotopic_Weight	470.29669976
73185506	TPSA	9.2
4011971	Defined_Atom_Stereo_Count	0
4479912	Hydrogen_Bond_Acceptor_Count	13
44377662	Non-hydrogen_Atom_Count	115
755686	Non-hydrogen_Atom_Count	17
96522	Molecular_Weight	151.16
14057	Structure_Complexity	89.2
88941292	Total_Formal_Charge	0
49865859	Total_Formal_Charge	0
317940	Undefined_Bond_Stereo_Count	0
11455910	Isotope_Atom_Count	0
15817841	Hydrogen_Bond_Donor_Count	3
166931	Tautomer_Count	1
5429	Total_Formal_Charge	0
134688669	Exact_Mass	628.26723285
3521	TPSA	179
10797	TPSA	13.1
5282349	Exact_Mass	410.318480578
11693521	TPSA	172
21187035	Undefined_Atom_Stereo_Count	0
62773515	Covalent_Unit_Count	1
5148108	Hydrogen_Bond_Donor_Count	2
12948	TPSA	129
22086	Defined_Atom_Stereo_Count	0
5324	Rotatable_Bond_Count	2
16687470	Covalent_Unit_Count	1
60196384	Defined_Atom_Stereo_Count	0
32872	Hydrogen_Bond_Acceptor_Count	6
131414	Defined_Bond_Stereo_Count	0
398743	Defined_Bond_Stereo_Count	0
65651	Structure_Complexity	694
17040	Exact_Mass	179.094628657
62582	Rotatable_Bond_Count	14
5282203	Hydrogen_Bond_Donor_Count	1
631779	Mono_Isotopic_Weight	352.101702159
10454	Undefined_Atom_Stereo_Count	0
13155711	Defined_Atom_Stereo_Count	0
737374	Isotope_Atom_Count	0
13707493	Undefined_Atom_Stereo_Count	0
978766	Rotatable_Bond_Count	5
439358	Defined_Bond_Stereo_Count	0
139078863	Hydrogen_Bond_Donor_Count	1
5235	Rotatable_Bond_Count	0
77574	Covalent_Unit_Count	1
25563891	Mono_Isotopic_Weight	241.110278721
53685821	Mono_Isotopic_Weight	102.079312947
9929138	Covalent_Unit_Count	2
45488101	XLogP3-AA	4.4
173799	Undefined_Bond_Stereo_Count	0
4604180	Total_Formal_Charge	0
10384745	XLogP3-AA	1
15620	TPSA	25.3
11919	Isotope_Atom_Count	0
98310	XLogP3-AA	4.6
6762	Hydrogen_Bond_Donor_Count	0
124904106	Exact_Mass	342.11621151
695341	XLogP3	1.3
5958	Covalent_Unit_Count	1
58550596	Defined_Bond_Stereo_Count	0
39765	Mono_Isotopic_Weight	557.43183330
22753628	Structure_Complexity	106
130169	Isotope_Atom_Count	0
5608	TPSA	306
68871182	TPSA	23.8
15928	Exact_Mass	108.081324323
40029	XLogP3-AA	3.8
18324766	Non-hydrogen_Atom_Count	7
71945	Undefined_Bond_Stereo_Count	0
31288	Undefined_Atom_Stereo_Count	0
23394557	TPSA	93.2
6506	XLogP3-AA	0.1
11316094	XLogP3-AA	2.4
136705145	Rotatable_Bond_Count	5
52947147	Structure_Complexity	549
11205	Molecular_Weight	331.63
139942026	Hydrogen_Bond_Acceptor_Count	1
322968	TPSA	60.8
4459	Molecular_Weight	302.4
142994149	Molecular_Weight	98.10
23079882	Hydrogen_Bond_Acceptor_Count	6
6438028	Structure_Complexity	348
16217327	Molecular_Weight	171.41
54891	Structure_Complexity	648
10784	Molecular_Weight	220.01
21517	Molecular_Weight	469.7
12285863	TPSA	110
71389631	Exact_Mass	108.057514874
14920523	Hydrogen_Bond_Donor_Count	0
91819762	Hydrogen_Bond_Acceptor_Count	12
42602095	XLogP3-AA	2.4
6434622	Total_Formal_Charge	0
18410493	Undefined_Bond_Stereo_Count	0
11684684	Hydrogen_Bond_Donor_Count	3
76285	Mono_Isotopic_Weight	459.658166
77245	Total_Formal_Charge	0
646135	Undefined_Bond_Stereo_Count	0
91176619	Defined_Bond_Stereo_Count	0
86014	Rotatable_Bond_Count	0
12393169	Undefined_Bond_Stereo_Count	0
90771502	Defined_Atom_Stereo_Count	0
71683048	Undefined_Bond_Stereo_Count	0
137704528	TPSA	195
69332601	Undefined_Bond_Stereo_Count	0
15797	Undefined_Atom_Stereo_Count	0
5329102	Non-hydrogen_Atom_Count	29
16213080	Rotatable_Bond_Count	5
1716	Total_Formal_Charge	0
14957	Molecular_Weight	548.6
24819	Rotatable_Bond_Count	0
3735	XLogP3-AA	3.9
7842	Hydrogen_Bond_Acceptor_Count	0
86733068	Defined_Atom_Stereo_Count	0
30973	Defined_Bond_Stereo_Count	0
113	Hydrogen_Bond_Donor_Count	4
4205037	Hydrogen_Bond_Acceptor_Count	4
85299214	Covalent_Unit_Count	1
15122	TPSA	0
115237	Isotope_Atom_Count	0
61945	Exact_Mass	140.04081944
12803	Tautomer_Count	1
9536	Defined_Atom_Stereo_Count	0
118855423	Structure_Complexity	726
1549133	XLogP3-AA	4.4
9849490	Isotope_Atom_Count	0
13814	Isotope_Atom_Count	0
8417	Defined_Atom_Stereo_Count	0
11586735	Molecular_Weight	237.30
76922	Isotope_Atom_Count	0
14510872	Undefined_Bond_Stereo_Count	0
17778639	Defined_Atom_Stereo_Count	0
12673	Molecular_Weight	161.95
725300	Total_Formal_Charge	0
71567	Rotatable_Bond_Count	3
118984456	Hydrogen_Bond_Acceptor_Count	61
138137	Hydrogen_Bond_Acceptor_Count	0
135431094	Hydrogen_Bond_Donor_Count	5
12096001	Covalent_Unit_Count	1
77991437	Rotatable_Bond_Count	0
441477	Molecular_Weight	179.17
44311686	TPSA	117
68835	Hydrogen_Bond_Acceptor_Count	3
57753	Molecular_Weight	336.4
16686268	Total_Formal_Charge	0
17903417	Covalent_Unit_Count	1
2679179	Molecular_Weight	251.3
15710945	Non-hydrogen_Atom_Count	30
2734931	Defined_Atom_Stereo_Count	0
12480891	Structure_Complexity	91.2
451188	Defined_Bond_Stereo_Count	0
65909	Covalent_Unit_Count	1
136730	Mono_Isotopic_Weight	110.048012819
20759	Exact_Mass	150.068079557
29685	Undefined_Bond_Stereo_Count	0
23533634	Defined_Atom_Stereo_Count	0
17392	Rotatable_Bond_Count	7
138621	Defined_Atom_Stereo_Count	0
528405	Isotope_Atom_Count	0
72450871	XLogP3-AA	1.1
45375806	Covalent_Unit_Count	1
57156265	Structure_Complexity	147
40523471	Defined_Bond_Stereo_Count	0
17074	Mono_Isotopic_Weight	157.945683
1149	Covalent_Unit_Count	1
88464430	Structure_Complexity	80.5
9898440	Covalent_Unit_Count	1
131724228	Non-hydrogen_Atom_Count	92
5523	Exact_Mass	263.188529040
68700720	Undefined_Atom_Stereo_Count	0
44134800	Total_Formal_Charge	0
316177	Mono_Isotopic_Weight	200.083729621
19012	Hydrogen_Bond_Donor_Count	2
95713	TPSA	26.8
5462350	Defined_Atom_Stereo_Count	4
90334	TPSA	48.1
7567	Defined_Bond_Stereo_Count	0
54054905	Rotatable_Bond_Count	0
716315	Molecular_Weight	183.18
67648	Non-hydrogen_Atom_Count	22
62155	Hydrogen_Bond_Acceptor_Count	9
40784491	Mono_Isotopic_Weight	145.052763847
10308	Covalent_Unit_Count	1
75791	XLogP3	1.2
4059	Non-hydrogen_Atom_Count	13
8900	Mono_Isotopic_Weight	100.125200510
145019560	TPSA	34
9957090	Hydrogen_Bond_Acceptor_Count	8
18794	Undefined_Atom_Stereo_Count	0
72325	Molecular_Weight	422.5
31508	Rotatable_Bond_Count	2
13590	Molecular_Weight	98.15
2794133	Covalent_Unit_Count	1
91442	Tautomer_Count	1
83694167	XLogP3-AA	1
344865	Rotatable_Bond_Count	6
82291	Covalent_Unit_Count	2
14671573	XLogP3-AA	1.8
448051	Molecular_Weight	290.21
9930121	Structure_Complexity	381
6453	Rotatable_Bond_Count	6
14833	Total_Formal_Charge	0
19527	Total_Formal_Charge	0
23662389	Mono_Isotopic_Weight	361.03445057
134687906	Non-hydrogen_Atom_Count	59
8135	Defined_Atom_Stereo_Count	0
60052896	Undefined_Atom_Stereo_Count	2
24461	Defined_Bond_Stereo_Count	0
88481084	Undefined_Bond_Stereo_Count	1
915	Total_Formal_Charge	0
135418296	Tautomer_Count	5
75066	Undefined_Atom_Stereo_Count	0
57642398	Undefined_Atom_Stereo_Count	0
53404864	Defined_Bond_Stereo_Count	0
69480	Rotatable_Bond_Count	4
25015463	Mono_Isotopic_Weight	521.31143813
6035	Structure_Complexity	386
3823887	Undefined_Bond_Stereo_Count	0
13836896	Defined_Atom_Stereo_Count	0
87086790	Covalent_Unit_Count	1
20943	Undefined_Atom_Stereo_Count	3
3049771	Non-hydrogen_Atom_Count	12
41280	Defined_Atom_Stereo_Count	0
34408	TPSA	94.2
24755480	Undefined_Atom_Stereo_Count	0
159384	Defined_Atom_Stereo_Count	0
45356886	Structure_Complexity	917
66638	Molecular_Weight	254.26
139147285	Hydrogen_Bond_Donor_Count	1
14133354	TPSA	21.8
22020033	XLogP3-AA	0.6
11346811	Rotatable_Bond_Count	10
9347	Molecular_Weight	659.0
124068	Hydrogen_Bond_Donor_Count	4
164512	Total_Formal_Charge	0
17231	TPSA	46.5
89990549	Molecular_Weight	103.12
24752	Hydrogen_Bond_Donor_Count	1
9543528	Isotope_Atom_Count	0
39985	Structure_Complexity	358
6919170	Mono_Isotopic_Weight	329.16875960
115171944	Hydrogen_Bond_Donor_Count	0
16375	Structure_Complexity	48.1
15942715	Hydrogen_Bond_Donor_Count	1
9176	Defined_Bond_Stereo_Count	0
33547	Undefined_Bond_Stereo_Count	0
46587	Mono_Isotopic_Weight	253.15521754
13144653	XLogP3-AA	0.4
8799	Undefined_Bond_Stereo_Count	0
9238	Defined_Atom_Stereo_Count	0
40459111	Isotope_Atom_Count	0
543664	Defined_Bond_Stereo_Count	0
10360656	Defined_Atom_Stereo_Count	0
14529853	Total_Formal_Charge	0
54278701	Defined_Atom_Stereo_Count	0
5243	Exact_Mass	437.02390878
1217	Non-hydrogen_Atom_Count	12
56950732	Total_Formal_Charge	0
143574502	Covalent_Unit_Count	1
14705467	Isotope_Atom_Count	0
18738120	XLogP3-AA	13.1
13757963	Covalent_Unit_Count	1
3635	Undefined_Bond_Stereo_Count	0
3944	Mono_Isotopic_Weight	528.21078060
135565884	Mono_Isotopic_Weight	471.22703980
9964	Exact_Mass	161.04523368
4774	XLogP3-AA	3.3
17751002	Defined_Atom_Stereo_Count	3
11239	XLogP3-AA	2.2
5912039	Defined_Bond_Stereo_Count	1
10941315	Isotope_Atom_Count	0
3718378	Rotatable_Bond_Count	0
322	Structure_Complexity	178
5484	Hydrogen_Bond_Donor_Count	0
160430	Total_Formal_Charge	0
52947518	Undefined_Atom_Stereo_Count	0
11234794	Hydrogen_Bond_Donor_Count	4
135564632	Exact_Mass	289.0618043
18921450	Total_Formal_Charge	0
87870897	Non-hydrogen_Atom_Count	8
10118014	Hydrogen_Bond_Donor_Count	2
21553255	Structure_Complexity	76.2
97289	TPSA	20.2
155346	Defined_Bond_Stereo_Count	0
12148	Exact_Mass	150.079312947
5372405	Molecular_Weight	281.31
101365708	Molecular_Weight	113.12
57280823	Non-hydrogen_Atom_Count	7
15182658	Hydrogen_Bond_Acceptor_Count	2
84647654	Non-hydrogen_Atom_Count	8
13329881	Undefined_Atom_Stereo_Count	2
11672659	Defined_Atom_Stereo_Count	0
96198	Defined_Atom_Stereo_Count	0
78837	Structure_Complexity	46.1
570	Undefined_Bond_Stereo_Count	2
5729	XLogP3-AA	1.8
71515	Exact_Mass	176.143924578
23283001	Structure_Complexity	124
692450	Total_Formal_Charge	0
13838546	Exact_Mass	110.048012819
61799	Structure_Complexity	147
12068	TPSA	118
62495	Undefined_Bond_Stereo_Count	0
16757547	Exact_Mass	562.15121
14077	Defined_Bond_Stereo_Count	0
69994	Defined_Atom_Stereo_Count	0
23567201	Undefined_Atom_Stereo_Count	0
31250	Total_Formal_Charge	0
26633	Defined_Bond_Stereo_Count	0
104741	Rotatable_Bond_Count	14
25023847	Molecular_Weight	419.8
90766	Covalent_Unit_Count	1
446167	TPSA	91.7
20578853	Undefined_Atom_Stereo_Count	2
135013065	TPSA	31.2
11594966	Non-hydrogen_Atom_Count	24
4413	TPSA	141
10161315	XLogP3-AA	4.5
23087774	Undefined_Bond_Stereo_Count	0
89100	Isotope_Atom_Count	0
6440459	Rotatable_Bond_Count	18
44485	Isotope_Atom_Count	0
3267139	Rotatable_Bond_Count	6
443101	Tautomer_Count	208
411312	Rotatable_Bond_Count	6
17835489	Rotatable_Bond_Count	1
9837916	Hydrogen_Bond_Acceptor_Count	3
1794427	Defined_Atom_Stereo_Count	4
10132844	Isotope_Atom_Count	0
2999	Hydrogen_Bond_Acceptor_Count	2
76318	Undefined_Bond_Stereo_Count	0
19101067	XLogP3-AA	0.9
102192	Non-hydrogen_Atom_Count	21
5460504	Undefined_Atom_Stereo_Count	0
139080230	Structure_Complexity	593
12537312	Structure_Complexity	124
84647665	Structure_Complexity	134
1077	Undefined_Atom_Stereo_Count	4
22875828	Rotatable_Bond_Count	2
137938996	Exact_Mass	114.068079557
60714	Defined_Atom_Stereo_Count	0
13438404	XLogP3-AA	0.2
979	TPSA	74.6
64510	Total_Formal_Charge	0
25137873	Structure_Complexity	386
5371102	Rotatable_Bond_Count	6
68740500	Structure_Complexity	248
64821	Hydrogen_Bond_Acceptor_Count	2
44181920	Undefined_Atom_Stereo_Count	1
11768523	Undefined_Bond_Stereo_Count	0
55298701	Non-hydrogen_Atom_Count	7
126083	Hydrogen_Bond_Acceptor_Count	5
43834572	Isotope_Atom_Count	0
3400822	Covalent_Unit_Count	1
17892701	Defined_Atom_Stereo_Count	0
56603655	XLogP3-AA	0.5
72732	Defined_Bond_Stereo_Count	0
10755924	Total_Formal_Charge	0
2753	Isotope_Atom_Count	0
2734161	Isotope_Atom_Count	0
542338	Undefined_Atom_Stereo_Count	0
11154555	Undefined_Bond_Stereo_Count	0
6918686	TPSA	119
23000709	TPSA	64.9
688356	Defined_Atom_Stereo_Count	0
13246	TPSA	17.1
40704	Isotope_Atom_Count	0
1489495	Defined_Bond_Stereo_Count	0
54022694	Undefined_Atom_Stereo_Count	1
84872	Undefined_Bond_Stereo_Count	0
146474256	Molecular_Weight	100.12
216466	Isotope_Atom_Count	0
53707229	Hydrogen_Bond_Donor_Count	0
21863274	Total_Formal_Charge	0
688492	XLogP3-AA	0.5
30630	Undefined_Atom_Stereo_Count	0
56928166	Molecular_Weight	2070.2
57417230	Non-hydrogen_Atom_Count	85
18542	Defined_Atom_Stereo_Count	0
52660	Hydrogen_Bond_Donor_Count	1
280526	Covalent_Unit_Count	2
121409291	Total_Formal_Charge	0
16211984	Non-hydrogen_Atom_Count	12
82190	Tautomer_Count	1
130124973	Rotatable_Bond_Count	3
18636	Undefined_Atom_Stereo_Count	0
76292	Hydrogen_Bond_Acceptor_Count	2
94915	Defined_Bond_Stereo_Count	0
35969	TPSA	154
10316809	Covalent_Unit_Count	1
16219954	Hydrogen_Bond_Donor_Count	0
92210	Rotatable_Bond_Count	1
11309477	TPSA	9.2
1921	Hydrogen_Bond_Donor_Count	1
545127	Covalent_Unit_Count	1
7232	Structure_Complexity	244
447199	Molecular_Weight	267.24
11542775	Tautomer_Count	1
12414299	Total_Formal_Charge	0
58666267	Isotope_Atom_Count	0
9895194	Defined_Bond_Stereo_Count	0
15284	Mono_Isotopic_Weight	512.24101810
103376402	Mono_Isotopic_Weight	115.063328530
107720	Undefined_Bond_Stereo_Count	0
359778	Molecular_Weight	324.2
20839605	Defined_Atom_Stereo_Count	0
11804893	Hydrogen_Bond_Acceptor_Count	2
10111	Non-hydrogen_Atom_Count	5
23675242	Molecular_Weight	85.962
818	Total_Formal_Charge	0
135659016	Hydrogen_Bond_Acceptor_Count	15
4057	Rotatable_Bond_Count	5
261501	Exact_Mass	261.06709375
117715670	Exact_Mass	382.0754060
21252905	Isotope_Atom_Count	0
10775	Total_Formal_Charge	0
18364965	Isotope_Atom_Count	0
4556055	TPSA	55.7
16134267	XLogP3-AA	6.2
45086609	TPSA	73.1
18422690	Mono_Isotopic_Weight	110.048012819
56658438	Covalent_Unit_Count	1
436520	TPSA	3.2
11933	Defined_Atom_Stereo_Count	0
86014	Hydrogen_Bond_Acceptor_Count	0
125556	Total_Formal_Charge	0
142107	TPSA	20.2
32336	Mono_Isotopic_Weight	430.24204178
57363	Defined_Atom_Stereo_Count	7
4871804	Exact_Mass	149.05104977
28697	TPSA	45.8
260495	Hydrogen_Bond_Acceptor_Count	2
12739589	Defined_Atom_Stereo_Count	0
153884978	Non-hydrogen_Atom_Count	8
42552694	Rotatable_Bond_Count	4
7048801	Rotatable_Bond_Count	3
319701	Hydrogen_Bond_Acceptor_Count	5
15744	Undefined_Bond_Stereo_Count	0
824784	Total_Formal_Charge	0
601439	Defined_Atom_Stereo_Count	0
6429113	Total_Formal_Charge	0
10932	Molecular_Weight	103.12
138579	Defined_Atom_Stereo_Count	0
36312	Tautomer_Count	1
131748870	Molecular_Weight	69.86
19082030	Defined_Atom_Stereo_Count	0
107349	Undefined_Bond_Stereo_Count	0
71655	TPSA	101
56993535	Rotatable_Bond_Count	1
53663591	Exact_Mass	112.063662883
143009217	Rotatable_Bond_Count	0
53993017	Mono_Isotopic_Weight	196.146329876
50614	Undefined_Bond_Stereo_Count	0
9838356	Structure_Complexity	363
10704662	Rotatable_Bond_Count	0
17358	Non-hydrogen_Atom_Count	7
572717	Isotope_Atom_Count	0
6420039	Tautomer_Count	1
5464090	TPSA	159
14510872	Hydrogen_Bond_Acceptor_Count	2
14257662	Defined_Bond_Stereo_Count	0
8138	XLogP3	4.2
57393451	Mono_Isotopic_Weight	671.26744835
6916257	Defined_Atom_Stereo_Count	3
3613359	Rotatable_Bond_Count	0
8107	TPSA	29.5
20055294	Tautomer_Count	1
67210	Exact_Mass	298.02258592
60028369	Undefined_Atom_Stereo_Count	0
23663958	Rotatable_Bond_Count	4
8661	Covalent_Unit_Count	3
11957635	Molecular_Weight	246.73
66016	Rotatable_Bond_Count	5
123969717	Defined_Atom_Stereo_Count	0
24961094	Exact_Mass	576.2270111
54515893	Structure_Complexity	118
44719499	Rotatable_Bond_Count	4
66053	Covalent_Unit_Count	1
15747657	TPSA	99.6
54110642	Exact_Mass	118.062994177
127909	Rotatable_Bond_Count	12
682	Structure_Complexity	354
8902	Undefined_Atom_Stereo_Count	0
13082758	Non-hydrogen_Atom_Count	7
6256685	Non-hydrogen_Atom_Count	18
23279312	Structure_Complexity	123
90884886	Non-hydrogen_Atom_Count	8
54526114	Hydrogen_Bond_Donor_Count	0
25050	Undefined_Bond_Stereo_Count	0
62705689	Undefined_Bond_Stereo_Count	0
9877608	Rotatable_Bond_Count	6
14336	Non-hydrogen_Atom_Count	14
12671783	Total_Formal_Charge	0
133655777	Isotope_Atom_Count	0
973938	Defined_Bond_Stereo_Count	0
13073879	Rotatable_Bond_Count	3
136870	Exact_Mass	96.093900383
139026056	Defined_Atom_Stereo_Count	8
139064747	Hydrogen_Bond_Acceptor_Count	4
57229732	Exact_Mass	116.058577502
667483	Hydrogen_Bond_Acceptor_Count	3
165675	Hydrogen_Bond_Acceptor_Count	1
3038525	Non-hydrogen_Atom_Count	28
44462985	Covalent_Unit_Count	1
12535	Non-hydrogen_Atom_Count	30
15551468	Mono_Isotopic_Weight	849.338408
22749	XLogP3-AA	2
71713950	Covalent_Unit_Count	1
70257	Structure_Complexity	44
140982253	Hydrogen_Bond_Acceptor_Count	1
131428459	XLogP3-AA	0.2
123672484	Structure_Complexity	78.6
53386711	Hydrogen_Bond_Donor_Count	2
30006	Isotope_Atom_Count	0
439215	Exact_Mass	194.04265265
258618	Rotatable_Bond_Count	0
12285890	Exact_Mass	181.06674293
444097	Exact_Mass	616.177291
580566	Molecular_Weight	140.26
9746	TPSA	12.9
37545	Undefined_Bond_Stereo_Count	0
135403647	Non-hydrogen_Atom_Count	35
44129647	Exact_Mass	348.11035554
72924	Exact_Mass	139.026943022
17918606	Rotatable_Bond_Count	1
19773393	TPSA	25.2
565082	Defined_Atom_Stereo_Count	0
4673	Tautomer_Count	1
533854	Rotatable_Bond_Count	3
9843750	Isotope_Atom_Count	0
65063	Total_Formal_Charge	0
3085156	Exact_Mass	226.11398438
18546557	Hydrogen_Bond_Acceptor_Count	4
13551761	Total_Formal_Charge	0
4040	Hydrogen_Bond_Donor_Count	2
226764	Defined_Bond_Stereo_Count	0
27350	Undefined_Bond_Stereo_Count	0
44521017	Structure_Complexity	427
2566	Defined_Atom_Stereo_Count	0
10499446	TPSA	72.5
5324108	Defined_Bond_Stereo_Count	0
73183709	Hydrogen_Bond_Donor_Count	1
58070804	Hydrogen_Bond_Acceptor_Count	6
67513	Tautomer_Count	1
12555	Structure_Complexity	344
402827	TPSA	98.8
53316390	Defined_Atom_Stereo_Count	0
534241	Molecular_Weight	96.09
45358055	Structure_Complexity	507
42754	Molecular_Weight	254.12
6919175	Rotatable_Bond_Count	3
71680844	Undefined_Atom_Stereo_Count	1
294864	Hydrogen_Bond_Acceptor_Count	3
91886354	Rotatable_Bond_Count	0
11289	Rotatable_Bond_Count	6
118540789	Molecular_Weight	97.16
590836	Hydrogen_Bond_Donor_Count	0
946918	Molecular_Weight	301.30
12487265	Isotope_Atom_Count	0
88959077	Non-hydrogen_Atom_Count	8
6951123	Non-hydrogen_Atom_Count	10
4260354	Isotope_Atom_Count	0
7655	XLogP3	3.3
121304016	TPSA	204
70683717	XLogP3-AA	2.9
135409452	Hydrogen_Bond_Acceptor_Count	3
439498	TPSA	93.4
12855445	Total_Formal_Charge	0
6451143	Non-hydrogen_Atom_Count	13
30072	Undefined_Atom_Stereo_Count	4
398116	Isotope_Atom_Count	0
19710	Defined_Bond_Stereo_Count	0
1549992	Tautomer_Count	1
16551	Structure_Complexity	31.5
3036824	Isotope_Atom_Count	0
440064	Covalent_Unit_Count	1
6800	Defined_Bond_Stereo_Count	0
2724279	Hydrogen_Bond_Acceptor_Count	3
115260	Total_Formal_Charge	0
72693	Tautomer_Count	24
10594637	Molecular_Weight	359.5
6329567	Hydrogen_Bond_Donor_Count	0
3289	Molecular_Weight	242.3
4423	Total_Formal_Charge	0
72200930	Defined_Bond_Stereo_Count	0
16133892	Covalent_Unit_Count	1
17499	XLogP3	0.8
6436135	Defined_Bond_Stereo_Count	1
17050	TPSA	29.5
81472	XLogP3-AA	0.6
71429293	Molecular_Weight	100.16
543038	Non-hydrogen_Atom_Count	9
102429819	TPSA	40.5
67242031	Exact_Mass	106.027946081
11137142	Exact_Mass	117.0009064
22772	Rotatable_Bond_Count	2
36245	TPSA	35.2
3667129	Isotope_Atom_Count	0
12313776	Rotatable_Bond_Count	0
6918160	Mono_Isotopic_Weight	373.22530847
82730	Rotatable_Bond_Count	3
72943	XLogP3-AA	6.1
138107840	Structure_Complexity	817
23379007	Undefined_Atom_Stereo_Count	2
2192	Defined_Bond_Stereo_Count	0
29982856	TPSA	190
39214	Non-hydrogen_Atom_Count	18
54036153	Molecular_Weight	111.14
11240453	Non-hydrogen_Atom_Count	8
124012131	Defined_Bond_Stereo_Count	0
2021	Defined_Bond_Stereo_Count	0
585	XLogP3-AA	1.4
5323984	Structure_Complexity	118
31364	Structure_Complexity	205
91016264	Structure_Complexity	173
21124389	Hydrogen_Bond_Acceptor_Count	4
29976	Undefined_Bond_Stereo_Count	0
59809	Defined_Atom_Stereo_Count	0
6735	Exact_Mass	132.057514874
17902163	TPSA	58.7
159738	Total_Formal_Charge	0
68745835	Undefined_Bond_Stereo_Count	0
61186	Undefined_Atom_Stereo_Count	0
13019066	XLogP3-AA	5.1
26249	Hydrogen_Bond_Acceptor_Count	8
21854522	Hydrogen_Bond_Acceptor_Count	18
71900	Covalent_Unit_Count	1
417452	Covalent_Unit_Count	1
4764	Defined_Atom_Stereo_Count	0
59390227	Mono_Isotopic_Weight	463.22485769
520190	Molecular_Weight	290.5
12081	Undefined_Atom_Stereo_Count	0
68321924	Covalent_Unit_Count	1
11513929	Rotatable_Bond_Count	0
36689718	Molecular_Weight	117.15
5578	TPSA	106
69007	Mono_Isotopic_Weight	304.11581759
3032338	TPSA	70.1
89283371	Defined_Bond_Stereo_Count	0
19155	Mono_Isotopic_Weight	82.9983460
7483	XLogP3	2
208921	Total_Formal_Charge	0
18101	Total_Formal_Charge	0
472812	Exact_Mass	243.0523023
4469994	TPSA	113
11126230	TPSA	29.5
21133868	Defined_Bond_Stereo_Count	0
564751	Molecular_Weight	231.33
29029	Hydrogen_Bond_Donor_Count	4
83996	Isotope_Atom_Count	0
91166722	Hydrogen_Bond_Donor_Count	1
1261	Molecular_Weight	327.1
73877	Structure_Complexity	155
12431567	Exact_Mass	98.073164938
114961	TPSA	127
688323	Total_Formal_Charge	0
36690486	Structure_Complexity	319
11857377	Molecular_Weight	244.25
81110	Structure_Complexity	171
93804	Hydrogen_Bond_Acceptor_Count	7
41043	Total_Formal_Charge	0
103528	Total_Formal_Charge	0
2826718	Defined_Atom_Stereo_Count	14
12502754	Molecular_Weight	97.12
23897	Hydrogen_Bond_Acceptor_Count	3
4970	Rotatable_Bond_Count	0
9976892	Defined_Bond_Stereo_Count	0
16073670	Defined_Bond_Stereo_Count	0
11380778	Total_Formal_Charge	0
11979741	Non-hydrogen_Atom_Count	101
8948	Non-hydrogen_Atom_Count	5
81512	Structure_Complexity	65.1
53403600	Undefined_Atom_Stereo_Count	0
69507	Non-hydrogen_Atom_Count	16
21941444	Structure_Complexity	96.4
2724629	Defined_Atom_Stereo_Count	2
133126830	Covalent_Unit_Count	1
7646	XLogP3	3
61083	Structure_Complexity	93.9
15830	Hydrogen_Bond_Acceptor_Count	2
6168	Rotatable_Bond_Count	3
70048	Non-hydrogen_Atom_Count	19
167297	Undefined_Atom_Stereo_Count	2
159952	Covalent_Unit_Count	2
32756	Tautomer_Count	2
22274936	Hydrogen_Bond_Acceptor_Count	7
129533	Rotatable_Bond_Count	3
14739174	Non-hydrogen_Atom_Count	8
11420	Non-hydrogen_Atom_Count	8
88941292	Undefined_Atom_Stereo_Count	0
20689	Rotatable_Bond_Count	6
5727	Defined_Bond_Stereo_Count	0
9797360	Defined_Atom_Stereo_Count	0
194519	Exact_Mass	304.02175079
44570629	Rotatable_Bond_Count	5
7999	Non-hydrogen_Atom_Count	7
23692768	Defined_Atom_Stereo_Count	0
14988402	Mono_Isotopic_Weight	99.104799419
9939609	TPSA	81.5
5152771	Covalent_Unit_Count	1
57242	TPSA	55
17424	Tautomer_Count	1
710649	Molecular_Weight	318.4
11890	XLogP3	1.6
6918309	Total_Formal_Charge	0
808	Covalent_Unit_Count	1
6419965	Tautomer_Count	3
53864533	Undefined_Bond_Stereo_Count	0
11658655	Isotope_Atom_Count	0
46782912	XLogP3	0.9
129738033	Defined_Bond_Stereo_Count	0
1551245	Exact_Mass	149.120449483
134399	Exact_Mass	129.115364102
59680984	Undefined_Atom_Stereo_Count	2
5353584	Defined_Atom_Stereo_Count	0
6466	Non-hydrogen_Atom_Count	25
58937356	Total_Formal_Charge	0
8717	TPSA	26
76968809	Isotope_Atom_Count	0
20334570	Total_Formal_Charge	0
164550	Tautomer_Count	3
117072551	Structure_Complexity	854
60975	Molecular_Weight	265.78
62165	Mono_Isotopic_Weight	324.302830514
11281445	Hydrogen_Bond_Donor_Count	4
100516	Covalent_Unit_Count	1
39356	Defined_Bond_Stereo_Count	0
6194	Hydrogen_Bond_Acceptor_Count	3
36978	Isotope_Atom_Count	0
13396	Defined_Bond_Stereo_Count	0
89399042	Hydrogen_Bond_Acceptor_Count	2
8078	Defined_Bond_Stereo_Count	0
968625	Exact_Mass	330.10381361
21895380	Molecular_Weight	513.07
14946164	Hydrogen_Bond_Acceptor_Count	0
122356	Structure_Complexity	83.1
13947131	Hydrogen_Bond_Donor_Count	2
12244	Covalent_Unit_Count	1
71895	Hydrogen_Bond_Acceptor_Count	3
196396	Structure_Complexity	825
1368742	Covalent_Unit_Count	1
71432895	Hydrogen_Bond_Acceptor_Count	4
15178985	Undefined_Bond_Stereo_Count	0
6956	TPSA	86.2
12871715	XLogP3-AA	0.8
8480	Mono_Isotopic_Weight	259.977826
72913	Mono_Isotopic_Weight	118.053098200
20705517	Covalent_Unit_Count	1
440927	Defined_Bond_Stereo_Count	0
5355853	Total_Formal_Charge	0
436515	Exact_Mass	367.04331
29124	Rotatable_Bond_Count	4
686807	Isotope_Atom_Count	0
71346048	Hydrogen_Bond_Donor_Count	0
5355457	Undefined_Atom_Stereo_Count	0
54581	Undefined_Bond_Stereo_Count	0
4306558	Rotatable_Bond_Count	9
130128864	Rotatable_Bond_Count	0
37243	Tautomer_Count	1
10111431	Defined_Bond_Stereo_Count	0
409746	Rotatable_Bond_Count	1
25526	TPSA	175
33793	Molecular_Weight	386.80
131954609	Hydrogen_Bond_Donor_Count	3
9912474	Mono_Isotopic_Weight	468.20490738
66602	Undefined_Bond_Stereo_Count	0
6319	Exact_Mass	260.131348519
56993535	Hydrogen_Bond_Acceptor_Count	1
1755	Total_Formal_Charge	0
71461541	Hydrogen_Bond_Acceptor_Count	6
32800	Mono_Isotopic_Weight	1142.35073945
102470202	Hydrogen_Bond_Donor_Count	9
612687	Hydrogen_Bond_Acceptor_Count	4
3005572	Hydrogen_Bond_Acceptor_Count	9
81239	Isotope_Atom_Count	0
53774272	Defined_Bond_Stereo_Count	0
1028	Total_Formal_Charge	0
135398635	TPSA	155
22472382	Molecular_Weight	113.11
4114	Rotatable_Bond_Count	1
94418	Mono_Isotopic_Weight	429.20121898
134755071	Non-hydrogen_Atom_Count	60
136874	TPSA	29.1
23555879	Defined_Atom_Stereo_Count	0
350667	Molecular_Weight	87.12
6907	Exact_Mass	511.60339
23716436	Structure_Complexity	558
9574101	Mono_Isotopic_Weight	473.26381923
60196415	Hydrogen_Bond_Acceptor_Count	4
220164	Covalent_Unit_Count	1
63412	Molecular_Weight	415.9
11188898	Mono_Isotopic_Weight	404.17697855
70032924	Non-hydrogen_Atom_Count	7
4679699	Defined_Atom_Stereo_Count	0
6606	TPSA	20.2
12510709	Structure_Complexity	77.6
79998	Defined_Atom_Stereo_Count	0
21584622	Non-hydrogen_Atom_Count	47
53699711	Hydrogen_Bond_Donor_Count	2
6017	Hydrogen_Bond_Donor_Count	0
7032	Isotope_Atom_Count	0
17963332	Mono_Isotopic_Weight	541.1204976
25007063	XLogP3-AA	4.2
2734247	Non-hydrogen_Atom_Count	20
65228	Molecular_Weight	495.0
91180913	Covalent_Unit_Count	1
7855	Rotatable_Bond_Count	0
426409	Defined_Bond_Stereo_Count	0
517121	Undefined_Atom_Stereo_Count	0
56608900	TPSA	9.2
6956334	Exact_Mass	385.03991
12309467	Non-hydrogen_Atom_Count	19
659218	TPSA	80.7
4526530	Hydrogen_Bond_Acceptor_Count	3
1088	Molecular_Weight	89.09
86467	Defined_Atom_Stereo_Count	0
101611446	Rotatable_Bond_Count	0
66673773	TPSA	41.5
928095	XLogP3-AA	1.1
154067559	Total_Formal_Charge	0
22542	Rotatable_Bond_Count	12
4224596	Mono_Isotopic_Weight	207.01159025
734884	Isotope_Atom_Count	0
3964633	Rotatable_Bond_Count	4
88800	Undefined_Bond_Stereo_Count	0
14066	Undefined_Atom_Stereo_Count	0
136419	Isotope_Atom_Count	0
70480	Rotatable_Bond_Count	0
14069226	XLogP3-AA	0.1
15273943	XLogP3-AA	1.4
5659	Non-hydrogen_Atom_Count	22
13736254	Covalent_Unit_Count	1
9765	Rotatable_Bond_Count	5
38282	Defined_Bond_Stereo_Count	0
5287705	Defined_Atom_Stereo_Count	0
11508600	Mono_Isotopic_Weight	352.12232057
15513	Exact_Mass	180.04225873
446308	TPSA	36.9
197127	Total_Formal_Charge	0
8924	Exact_Mass	215.236147938
136451	Covalent_Unit_Count	1
23262897	Hydrogen_Bond_Donor_Count	0
151148	Total_Formal_Charge	0
19169	Molecular_Weight	114.14
587128	Structure_Complexity	145
71463602	Structure_Complexity	1260
2752647	Isotope_Atom_Count	0
60149	Covalent_Unit_Count	1
4425	Hydrogen_Bond_Acceptor_Count	5
509147	Structure_Complexity	322
123942782	Hydrogen_Bond_Acceptor_Count	2
10029970	Non-hydrogen_Atom_Count	38
68705	Hydrogen_Bond_Donor_Count	1
561	Undefined_Bond_Stereo_Count	0
54682469	TPSA	182
46317	Rotatable_Bond_Count	15
60168097	Hydrogen_Bond_Donor_Count	0
53759081	Mono_Isotopic_Weight	103.063328530
11363	Total_Formal_Charge	0
23690449	Hydrogen_Bond_Acceptor_Count	6
2104	Structure_Complexity	1410
81669	Undefined_Atom_Stereo_Count	0
595317	Covalent_Unit_Count	1
5288769	Hydrogen_Bond_Acceptor_Count	11
71970	Molecular_Weight	363.4
7667	Tautomer_Count	1
87356557	Undefined_Atom_Stereo_Count	1
45488107	Exact_Mass	445.11618739
54285963	XLogP3-AA	3.6
15267068	Structure_Complexity	103
54353965	Hydrogen_Bond_Donor_Count	0
79088	TPSA	60.2
105014	Rotatable_Bond_Count	9
5388949	Total_Formal_Charge	0
65452	Total_Formal_Charge	0
73415798	Defined_Bond_Stereo_Count	3
8326	Structure_Complexity	291
5353510	Non-hydrogen_Atom_Count	25
31877	Defined_Atom_Stereo_Count	0
94412	Hydrogen_Bond_Donor_Count	1
72200444	Rotatable_Bond_Count	16
6299	XLogP3	6.4
4026	Rotatable_Bond_Count	9
12358970	Total_Formal_Charge	0
151248	Exact_Mass	233.9865910
73114967	Undefined_Atom_Stereo_Count	4
96517	Tautomer_Count	5
10034582	Structure_Complexity	98
3683	Hydrogen_Bond_Donor_Count	1
2539	Mono_Isotopic_Weight	510.16383041
90843502	Undefined_Bond_Stereo_Count	0
60196351	Hydrogen_Bond_Acceptor_Count	5
594832	Exact_Mass	160.063662883
43838	Isotope_Atom_Count	0
453077	Total_Formal_Charge	0
1312	Exact_Mass	451.02941569
12830793	XLogP3-AA	1.8
202877	TPSA	132
192711	Defined_Atom_Stereo_Count	0
2816	Hydrogen_Bond_Donor_Count	1
31423	Rotatable_Bond_Count	0
49621	Defined_Atom_Stereo_Count	0
21470208	Hydrogen_Bond_Donor_Count	2
11430856	Mono_Isotopic_Weight	450.26646226
29742	Covalent_Unit_Count	1
91240583	Hydrogen_Bond_Donor_Count	2
6399650	TPSA	75.7
156615593	TPSA	110
72886	Molecular_Weight	169.16
717	Rotatable_Bond_Count	4
84647703	Non-hydrogen_Atom_Count	8
75675	Molecular_Weight	192.32
124298532	Structure_Complexity	382
3657	Isotope_Atom_Count	0
90019869	Isotope_Atom_Count	0
135546352	Total_Formal_Charge	0
101417753	TPSA	43.4
11391	Tautomer_Count	1
12963076	TPSA	16.1
10002668	Isotope_Atom_Count	0
75552	Isotope_Atom_Count	0
5920	Rotatable_Bond_Count	5
417349	Isotope_Atom_Count	0
6549	Undefined_Atom_Stereo_Count	1
55891	Defined_Atom_Stereo_Count	2
3081	Covalent_Unit_Count	1
44338981	Defined_Atom_Stereo_Count	0
54283855	Isotope_Atom_Count	0
2724032	Total_Formal_Charge	0
48671	Isotope_Atom_Count	0
3651377	TPSA	67.5
131966764	Mono_Isotopic_Weight	180.06338810
131885396	Total_Formal_Charge	0
86761	Hydrogen_Bond_Donor_Count	1
899	Molecular_Weight	221.21
73513	Covalent_Unit_Count	1
8606	TPSA	62.7
42623223	Total_Formal_Charge	0
13562	Covalent_Unit_Count	1
141545	Mono_Isotopic_Weight	109.089149355
6926378	Exact_Mass	168.102453689
45266503	Structure_Complexity	419
39507	Exact_Mass	370.25079494
6950248	Hydrogen_Bond_Donor_Count	1
49871818	Structure_Complexity	706
282752	Structure_Complexity	267
68009	Rotatable_Bond_Count	1
79242	Mono_Isotopic_Weight	166.074227566
2227	Rotatable_Bond_Count	5
77408	Hydrogen_Bond_Acceptor_Count	1
123963	Exact_Mass	204.089877630
5281107	Isotope_Atom_Count	0
5410	Exact_Mass	344.23514488
11062545	Non-hydrogen_Atom_Count	8
119081	Isotope_Atom_Count	0
7019016	Undefined_Atom_Stereo_Count	0
8692	Isotope_Atom_Count	0
69049742	Undefined_Bond_Stereo_Count	0
135413528	Undefined_Atom_Stereo_Count	0
67050751	Structure_Complexity	70.1
732872	TPSA	54
56955185	Mono_Isotopic_Weight	351.173547683
164073	Isotope_Atom_Count	0
14794987	Rotatable_Bond_Count	1
2929	Undefined_Atom_Stereo_Count	0
198061	XLogP3-AA	3.5
13584912	Defined_Bond_Stereo_Count	0
2812	Rotatable_Bond_Count	4
398495	Non-hydrogen_Atom_Count	22
19016	TPSA	32.1
134694634	XLogP3-AA	6
22379495	Molecular_Weight	101.15
1379	Total_Formal_Charge	0
445114	Undefined_Atom_Stereo_Count	0
92821	Hydrogen_Bond_Acceptor_Count	3
6918386	TPSA	109
18140	Undefined_Bond_Stereo_Count	0
54411340	Rotatable_Bond_Count	0
59277791	Exact_Mass	112.063662883
124072	Exact_Mass	372.15728848
499988	Hydrogen_Bond_Donor_Count	2
10088189	Covalent_Unit_Count	1
5459784	Defined_Atom_Stereo_Count	2
40566100	Defined_Bond_Stereo_Count	0
44560703	Hydrogen_Bond_Acceptor_Count	4
4910	TPSA	29.5
17162	Hydrogen_Bond_Acceptor_Count	2
22631092	Undefined_Bond_Stereo_Count	0
33184	Defined_Bond_Stereo_Count	0
23284	Undefined_Atom_Stereo_Count	1
66704605	Undefined_Bond_Stereo_Count	1
213020	Undefined_Atom_Stereo_Count	0
30771	XLogP3-AA	3.2
9048976	Covalent_Unit_Count	1
59991562	Non-hydrogen_Atom_Count	8
25683	Non-hydrogen_Atom_Count	16
436520	Structure_Complexity	175
2723704	Tautomer_Count	3
93843	Undefined_Bond_Stereo_Count	0
2778461	Hydrogen_Bond_Donor_Count	1
55288485	Defined_Bond_Stereo_Count	0
89651175	XLogP3-AA	0.6
14379227	Defined_Atom_Stereo_Count	0
92299	Total_Formal_Charge	0
948954	Defined_Atom_Stereo_Count	0
297777	TPSA	109
92922	Undefined_Atom_Stereo_Count	0
57691826	TPSA	110
6437379	Undefined_Atom_Stereo_Count	0
89785	Isotope_Atom_Count	0
58028426	Defined_Atom_Stereo_Count	0
3758	Covalent_Unit_Count	1
131731052	Defined_Atom_Stereo_Count	0
194647	Undefined_Atom_Stereo_Count	8
129788170	Undefined_Bond_Stereo_Count	0
3002335	Molecular_Weight	511.6
557579	Undefined_Bond_Stereo_Count	0
12103	Isotope_Atom_Count	0
53756508	XLogP3-AA	0.1
9810929	Defined_Atom_Stereo_Count	9
53477715	Mono_Isotopic_Weight	639.00812033
14989482	TPSA	20.2
5772	Non-hydrogen_Atom_Count	73
31364	XLogP3-AA	2.3
40411	Exact_Mass	242.09027155
446308	Hydrogen_Bond_Acceptor_Count	4
85999939	Defined_Atom_Stereo_Count	0
2610	Defined_Atom_Stereo_Count	0
1394	Defined_Bond_Stereo_Count	0
139059144	Isotope_Atom_Count	0
62441	Mono_Isotopic_Weight	349.28282334
80881	Defined_Atom_Stereo_Count	0
68914546	Covalent_Unit_Count	2
6541	Rotatable_Bond_Count	8
29742	Hydrogen_Bond_Acceptor_Count	5
2042	Defined_Atom_Stereo_Count	0
121397587	Non-hydrogen_Atom_Count	33
44338773	Defined_Bond_Stereo_Count	0
6917681	Hydrogen_Bond_Donor_Count	3
7919	Total_Formal_Charge	0
2763788	Non-hydrogen_Atom_Count	16
963424	Mono_Isotopic_Weight	314.05475542
45266541	Hydrogen_Bond_Donor_Count	5
54539493	Structure_Complexity	115
8759	Exact_Mass	336.05455397
94418	Covalent_Unit_Count	1
22160812	Defined_Bond_Stereo_Count	0
54585642	Non-hydrogen_Atom_Count	24
9800555	Defined_Atom_Stereo_Count	0
19159	Undefined_Atom_Stereo_Count	1
129692694	Molecular_Weight	110.15
36109	Molecular_Weight	257.33
157350	Hydrogen_Bond_Donor_Count	1
18714263	Undefined_Bond_Stereo_Count	0
86018330	TPSA	0
68616	Covalent_Unit_Count	1
64334	Hydrogen_Bond_Acceptor_Count	2
3246	Hydrogen_Bond_Acceptor_Count	2
21872570	Non-hydrogen_Atom_Count	8
688024	Mono_Isotopic_Weight	275.15214353
448965	TPSA	97.3
67821	Mono_Isotopic_Weight	463.9705080
24397	Undefined_Bond_Stereo_Count	0
10578	Molecular_Weight	518.5
20494989	Defined_Atom_Stereo_Count	0
6051	Undefined_Atom_Stereo_Count	0
123628	Total_Formal_Charge	0
86601564	Total_Formal_Charge	0
57004451	Defined_Bond_Stereo_Count	0
4019563	Mono_Isotopic_Weight	419.97220756
156414	Hydrogen_Bond_Donor_Count	2
9547261	Rotatable_Bond_Count	5
16051921	Rotatable_Bond_Count	6
124003	Total_Formal_Charge	0
14988399	TPSA	26
28118	Undefined_Atom_Stereo_Count	0
12313473	Covalent_Unit_Count	1
23714994	Total_Formal_Charge	0
527559	Isotope_Atom_Count	0
530132	Mono_Isotopic_Weight	217.092290636
4898	Total_Formal_Charge	0
75771	Non-hydrogen_Atom_Count	10
55146	Tautomer_Count	2
18622350	Isotope_Atom_Count	0
642623	Undefined_Bond_Stereo_Count	0
54583964	XLogP3-AA	3.9
4806	Undefined_Bond_Stereo_Count	0
12541465	Rotatable_Bond_Count	2
14022497	Isotope_Atom_Count	0
45039680	Hydrogen_Bond_Acceptor_Count	11
62656	Mono_Isotopic_Weight	125.90349
356101	Mono_Isotopic_Weight	113.058911855
55250	Total_Formal_Charge	0
39521	Defined_Atom_Stereo_Count	0
6427770	Defined_Bond_Stereo_Count	0
5208	Total_Formal_Charge	0
2724039	Isotope_Atom_Count	0
31041	Non-hydrogen_Atom_Count	18
72200357	XLogP3-AA	3.3
13710589	Undefined_Bond_Stereo_Count	0
12487265	Molecular_Weight	116.11
16759173	Molecular_Weight	446.5
11469055	Undefined_Bond_Stereo_Count	0
3068367	Structure_Complexity	756
15900	Covalent_Unit_Count	1
15144	XLogP3-AA	0.4
119082985	Exact_Mass	96.068748264
82131	Exact_Mass	213.96294
65376195	Hydrogen_Bond_Acceptor_Count	1
22094758	Exact_Mass	112.052429494
81971	Mono_Isotopic_Weight	458.00663923
101047267	Structure_Complexity	386
25263111	Defined_Atom_Stereo_Count	0
117715670	Defined_Bond_Stereo_Count	0
142882	Hydrogen_Bond_Donor_Count	1
1730	Covalent_Unit_Count	1
64033	Rotatable_Bond_Count	2
53484514	Defined_Atom_Stereo_Count	0
22563962	Hydrogen_Bond_Donor_Count	0
83335	XLogP3	3.2
20141875	Hydrogen_Bond_Donor_Count	1
19031167	Exact_Mass	101.120449483
81079	Hydrogen_Bond_Donor_Count	0
68947	Defined_Atom_Stereo_Count	6
4377949	Tautomer_Count	1
83904778	Undefined_Atom_Stereo_Count	0
5311333	Tautomer_Count	1
10278166	Mono_Isotopic_Weight	489.989931
79103	TPSA	17.1
127382	TPSA	92.7
153976605	TPSA	49.3
11593	Undefined_Atom_Stereo_Count	0
54682938	Mono_Isotopic_Weight	527.22676502
89518758	Structure_Complexity	382
11094575	Non-hydrogen_Atom_Count	8
137530132	Undefined_Bond_Stereo_Count	0
89162	Non-hydrogen_Atom_Count	16
87020	XLogP3	1.3
79083	Tautomer_Count	1
6400	Tautomer_Count	1
427786	Exact_Mass	258.136827821
82763	XLogP3-AA	2.8
657202	Molecular_Weight	282.4
61370	XLogP3-AA	1.2
153722581	TPSA	76.2
15558252	Defined_Bond_Stereo_Count	0
72734332	Covalent_Unit_Count	1
12695916	Undefined_Atom_Stereo_Count	2
4262071	TPSA	66.8
3249988	Rotatable_Bond_Count	2
688091	XLogP3-AA	0.7
5280389	Undefined_Bond_Stereo_Count	0
1548943	Total_Formal_Charge	0
3035240	Rotatable_Bond_Count	3
126547509	TPSA	41.8
43262	TPSA	80.6
6444834	Undefined_Atom_Stereo_Count	1
455799	Non-hydrogen_Atom_Count	43
3058503	Total_Formal_Charge	0
25868	Molecular_Weight	89.14
1033	Non-hydrogen_Atom_Count	52
3032307	Rotatable_Bond_Count	6
87468661	Covalent_Unit_Count	1
164252	Defined_Atom_Stereo_Count	1
39648	Rotatable_Bond_Count	9
6537495	Non-hydrogen_Atom_Count	11
9956726	TPSA	117
834519	Isotope_Atom_Count	0
10718	Hydrogen_Bond_Donor_Count	3
151090	Hydrogen_Bond_Donor_Count	1
9595287	Hydrogen_Bond_Donor_Count	1
574809	Defined_Bond_Stereo_Count	0
172288	Hydrogen_Bond_Donor_Count	0
78759	Total_Formal_Charge	0
19490	Undefined_Bond_Stereo_Count	0
2775641	Undefined_Bond_Stereo_Count	0
11266523	Hydrogen_Bond_Donor_Count	1
60196372	Isotope_Atom_Count	0
97725	Total_Formal_Charge	0
4323	Non-hydrogen_Atom_Count	27
9817140	Hydrogen_Bond_Donor_Count	1
34260	XLogP3-AA	6.9
33938	Exact_Mass	212.120115130
3064425	Rotatable_Bond_Count	5
5467	Exact_Mass	328.14567842
22848362	Non-hydrogen_Atom_Count	24
127748	Mono_Isotopic_Weight	386.09027155
14416477	XLogP3-AA	2.1
12511868	Isotope_Atom_Count	0
22221739	Defined_Atom_Stereo_Count	0
10466908	TPSA	62.2
439156	Covalent_Unit_Count	1
21880519	Exact_Mass	144.151415257
11624518	Hydrogen_Bond_Acceptor_Count	3
13529	Covalent_Unit_Count	1
443156	Covalent_Unit_Count	1
91526	TPSA	65.6
11990	Rotatable_Bond_Count	0
69684	Exact_Mass	142.110613074
517313	Rotatable_Bond_Count	6
67955	Total_Formal_Charge	0
127382	Undefined_Bond_Stereo_Count	0
7192	Tautomer_Count	2
3392460	Isotope_Atom_Count	0
6075	Exact_Mass	310.15036988
321710	Undefined_Atom_Stereo_Count	0
5496539	Covalent_Unit_Count	1
50258	Exact_Mass	298.22564282
21804	Non-hydrogen_Atom_Count	18
52598	Defined_Atom_Stereo_Count	0
85906	Mono_Isotopic_Weight	178.110613074
119307	TPSA	140
57000164	Defined_Bond_Stereo_Count	0
11800	Defined_Bond_Stereo_Count	0
5778	Isotope_Atom_Count	0
11385	Total_Formal_Charge	0
70487	Isotope_Atom_Count	0
89378	Rotatable_Bond_Count	1
5280863	Defined_Atom_Stereo_Count	0
23582412	XLogP3-AA	2.8
141508	Undefined_Atom_Stereo_Count	2
16224745	Hydrogen_Bond_Donor_Count	2
6641	Molecular_Weight	270.4
10154203	Defined_Bond_Stereo_Count	0
19918	Hydrogen_Bond_Donor_Count	0
266742	Molecular_Weight	152.19
68674	Total_Formal_Charge	0
62232962	Exact_Mass	112.052429494
89578867	Non-hydrogen_Atom_Count	23
135509117	Total_Formal_Charge	0
6918925	Undefined_Bond_Stereo_Count	0
446925	Isotope_Atom_Count	0
71509158	TPSA	166
11196935	Hydrogen_Bond_Acceptor_Count	2
18934502	Molecular_Weight	84.12
24585	Molecular_Weight	154.25
77941	Hydrogen_Bond_Donor_Count	1
98608	Total_Formal_Charge	0
71681471	Undefined_Bond_Stereo_Count	0
12817963	Total_Formal_Charge	0
23581869	Total_Formal_Charge	0
71196	Undefined_Atom_Stereo_Count	0
139243813	Undefined_Bond_Stereo_Count	0
107670	Structure_Complexity	1030
54682511	Undefined_Bond_Stereo_Count	0
323004	Undefined_Bond_Stereo_Count	0
48103	Tautomer_Count	1
620080	Molecular_Weight	91.11
76985	Hydrogen_Bond_Acceptor_Count	2
6439447	Undefined_Atom_Stereo_Count	0
44629596	Rotatable_Bond_Count	11
11953887	Tautomer_Count	80
24360	Undefined_Atom_Stereo_Count	0
116225458	Defined_Atom_Stereo_Count	0
20270668	Total_Formal_Charge	0
3734343	Structure_Complexity	343
45116684	Rotatable_Bond_Count	1
77014	XLogP3	1.1
71744109	Rotatable_Bond_Count	0
3973230	Defined_Bond_Stereo_Count	0
515574	Hydrogen_Bond_Donor_Count	0
11532527	Undefined_Bond_Stereo_Count	0
107377	Rotatable_Bond_Count	8
1246	Hydrogen_Bond_Donor_Count	1
137699683	Non-hydrogen_Atom_Count	47
5474229	Undefined_Bond_Stereo_Count	0
33746	Hydrogen_Bond_Acceptor_Count	3
46783812	Tautomer_Count	1001
4432690	TPSA	321
138005	Total_Formal_Charge	0
135422052	Molecular_Weight	488.5
16738927	Defined_Bond_Stereo_Count	0
160817	Defined_Atom_Stereo_Count	0
139242912	Non-hydrogen_Atom_Count	57
1032	Undefined_Bond_Stereo_Count	0
136346	Undefined_Bond_Stereo_Count	0
139135915	Hydrogen_Bond_Acceptor_Count	2
12607503	Defined_Bond_Stereo_Count	0
83812	Structure_Complexity	128
6451477	Exact_Mass	94.041864811
6918988	Isotope_Atom_Count	0
65689	Hydrogen_Bond_Acceptor_Count	8
54680694	Molecular_Weight	527.6
78847	Non-hydrogen_Atom_Count	11
73114967	Non-hydrogen_Atom_Count	8
547676	Isotope_Atom_Count	0
2737136	Hydrogen_Bond_Acceptor_Count	7
358641	Defined_Bond_Stereo_Count	0
11926	Molecular_Weight	143.18
636857	Exact_Mass	479.24202116
738244	Non-hydrogen_Atom_Count	15
4684	Exact_Mass	128.0028925
447234	Hydrogen_Bond_Donor_Count	1
35758	Defined_Atom_Stereo_Count	0
10657292	XLogP3	0.2
13619	Exact_Mass	195.924948
9529	Exact_Mass	260.04584451
54418364	Covalent_Unit_Count	1
118218024	Structure_Complexity	1720
10909430	Defined_Bond_Stereo_Count	0
687046	Undefined_Bond_Stereo_Count	0
25019940	Exact_Mass	557.22384613
6527064	Covalent_Unit_Count	3
5101	Undefined_Bond_Stereo_Count	0
20056978	Defined_Atom_Stereo_Count	2
25102936	Molecular_Weight	426.5
69647192	Structure_Complexity	115
106	Non-hydrogen_Atom_Count	11
7463	Rotatable_Bond_Count	1
15213038	Undefined_Atom_Stereo_Count	2
133121364	Mono_Isotopic_Weight	181.06674293
7715	Mono_Isotopic_Weight	182.094294304
15192	Undefined_Bond_Stereo_Count	0
12281	Total_Formal_Charge	0
441301	Total_Formal_Charge	0
93114	Hydrogen_Bond_Donor_Count	2
91474	Structure_Complexity	663
89159	XLogP3-AA	1.6
153142415	Defined_Bond_Stereo_Count	0
12523	Rotatable_Bond_Count	13
5491989	Undefined_Atom_Stereo_Count	0
649217	Non-hydrogen_Atom_Count	36
7968	Rotatable_Bond_Count	0
11518241	Isotope_Atom_Count	0
5282109	TPSA	26.3
556380	XLogP3-AA	1
8880	Undefined_Bond_Stereo_Count	0
135400182	Undefined_Atom_Stereo_Count	0
123243	Molecular_Weight	76.10
77241	Undefined_Bond_Stereo_Count	0
9827294	Defined_Bond_Stereo_Count	0
14018	Covalent_Unit_Count	1
78234	Rotatable_Bond_Count	12
135925739	Total_Formal_Charge	0
55281352	Undefined_Bond_Stereo_Count	0
1645	Hydrogen_Bond_Donor_Count	2
54362500	XLogP3-AA	0.2
53401340	Hydrogen_Bond_Acceptor_Count	3
9009	Tautomer_Count	1
21643653	Defined_Bond_Stereo_Count	0
86597	Hydrogen_Bond_Donor_Count	0
273032	Hydrogen_Bond_Acceptor_Count	4
8863	Defined_Atom_Stereo_Count	0
131740853	Exact_Mass	563.13188
10355488	Structure_Complexity	500
189563	Molecular_Weight	405.4
517165	Undefined_Atom_Stereo_Count	0
22575031	Molecular_Weight	114.10
1470	Undefined_Bond_Stereo_Count	0
131810	Rotatable_Bond_Count	18
2733294	Hydrogen_Bond_Donor_Count	0
6437850	Structure_Complexity	184
11575	Mono_Isotopic_Weight	203.94360
139087064	Mono_Isotopic_Weight	172.03804273
117781134	Defined_Atom_Stereo_Count	2
44451124	Exact_Mass	577.27880059
90369	Defined_Atom_Stereo_Count	0
146540	Exact_Mass	194.0377538
13659638	Isotope_Atom_Count	0
1781	Total_Formal_Charge	0
10246418	Rotatable_Bond_Count	4
138564	Undefined_Bond_Stereo_Count	0
77313	Hydrogen_Bond_Donor_Count	0
66102	Hydrogen_Bond_Acceptor_Count	4
102738	Hydrogen_Bond_Acceptor_Count	2
135398515	Isotope_Atom_Count	0
339231	Undefined_Bond_Stereo_Count	0
71583271	XLogP3-AA	3.5
11586735	Rotatable_Bond_Count	3
17179	Hydrogen_Bond_Donor_Count	0
19778484	Structure_Complexity	142
64781	Defined_Bond_Stereo_Count	0
10031812	Undefined_Bond_Stereo_Count	0
816864	Rotatable_Bond_Count	7
156816292	Non-hydrogen_Atom_Count	8
2830832	TPSA	116
76743	Mono_Isotopic_Weight	309.0323340
12059921	Undefined_Bond_Stereo_Count	0
21251781	Defined_Atom_Stereo_Count	0
9984487	Defined_Atom_Stereo_Count	0
16680	TPSA	52.6
267	TPSA	573
5324289	Molecular_Weight	311.4
2742181	Isotope_Atom_Count	0
13642940	Exact_Mass	105.032697108
124518033	Mono_Isotopic_Weight	93.032697108
93504	Total_Formal_Charge	0
18622348	Undefined_Atom_Stereo_Count	0
10252	Structure_Complexity	215
53319416	Exact_Mass	484.0956626
71450703	Mono_Isotopic_Weight	496.09403677
2375	Isotope_Atom_Count	0
139254656	Hydrogen_Bond_Donor_Count	2
519726	Molecular_Weight	111.15
9954539	Covalent_Unit_Count	2
71457147	Isotope_Atom_Count	0
143817431	XLogP3-AA	0.1
231040	Undefined_Bond_Stereo_Count	0
159220	Mono_Isotopic_Weight	229.1233420
14239884	Hydrogen_Bond_Acceptor_Count	4
45791261	Hydrogen_Bond_Donor_Count	1
59059061	XLogP3-AA	0
11934	Isotope_Atom_Count	0
18936580	Undefined_Atom_Stereo_Count	0
97995	Tautomer_Count	1
136254592	Covalent_Unit_Count	1
593411	Total_Formal_Charge	0
67174361	Covalent_Unit_Count	2
100439	Mono_Isotopic_Weight	190.04907545
64515031	Undefined_Bond_Stereo_Count	0
558363	Defined_Bond_Stereo_Count	0
20820	Undefined_Atom_Stereo_Count	0
44392103	Structure_Complexity	651
52918384	XLogP3-AA	2
5489013	Tautomer_Count	2
51375035	Undefined_Atom_Stereo_Count	0
34991	Non-hydrogen_Atom_Count	20
80971	Total_Formal_Charge	0
3456	Defined_Atom_Stereo_Count	0
75868	Molecular_Weight	272.21
9985155	Mono_Isotopic_Weight	555.23693578
24737670	Hydrogen_Bond_Acceptor_Count	5
8663	Non-hydrogen_Atom_Count	11
640759	Molecular_Weight	131.17
53241828	XLogP3-AA	1.7
38207	XLogP3-AA	3.6
548545	Covalent_Unit_Count	1
4928	Mono_Isotopic_Weight	225.15896025
67175581	Defined_Atom_Stereo_Count	0
11768503	TPSA	9.2
61305	Covalent_Unit_Count	1
135430795	Molecular_Weight	491.18
12207545	Structure_Complexity	75.4
68284	Rotatable_Bond_Count	1
36552	Structure_Complexity	744
15475335	Covalent_Unit_Count	1
11418	Isotope_Atom_Count	0
30552	Defined_Atom_Stereo_Count	3
119057560	Non-hydrogen_Atom_Count	52
58806244	Structure_Complexity	76.2
132282752	Defined_Bond_Stereo_Count	0
4640670	Hydrogen_Bond_Acceptor_Count	6
18762609	Total_Formal_Charge	0
5324168	Structure_Complexity	63.1
68119	XLogP3	1.2
44560911	Structure_Complexity	462
3033968	Structure_Complexity	648
15657909	Covalent_Unit_Count	1
57406911	Structure_Complexity	847
281459	Hydrogen_Bond_Acceptor_Count	2
53320294	TPSA	51.7
11292963	Defined_Atom_Stereo_Count	6
6824	Hydrogen_Bond_Donor_Count	1
46936572	Undefined_Atom_Stereo_Count	0
12068306	TPSA	0
11062335	Molecular_Weight	110.15
2624	Covalent_Unit_Count	1
535634	Non-hydrogen_Atom_Count	6
88705	Mono_Isotopic_Weight	135.104799419
71587019	Structure_Complexity	166
7715	Tautomer_Count	1
105427002	Non-hydrogen_Atom_Count	8
87114	TPSA	42.1
5311055	Tautomer_Count	1
77430	Covalent_Unit_Count	1
53687318	Hydrogen_Bond_Donor_Count	3
21768	Exact_Mass	149.120449483
145802	Defined_Atom_Stereo_Count	0
9955836	Defined_Bond_Stereo_Count	0
6857474	Hydrogen_Bond_Donor_Count	2
5318039	Rotatable_Bond_Count	10
160435425	Hydrogen_Bond_Donor_Count	0
10395255	Defined_Bond_Stereo_Count	1
19386566	Isotope_Atom_Count	0
70106	Exact_Mass	98.073164938
135449281	Rotatable_Bond_Count	2
156618073	Rotatable_Bond_Count	4
122214397	Exact_Mass	532.97501113
11954258	Molecular_Weight	667.8
129631814	Defined_Atom_Stereo_Count	6
84720	Exact_Mass	266.02913527
52948843	Non-hydrogen_Atom_Count	25
93535113	Non-hydrogen_Atom_Count	19
518605	Hydrogen_Bond_Acceptor_Count	6
317542	Defined_Bond_Stereo_Count	0
517121	Isotope_Atom_Count	0
87321867	Rotatable_Bond_Count	1
443404	Tautomer_Count	3
156212	Hydrogen_Bond_Donor_Count	0
351795	Molecular_Weight	156.18
18139	Undefined_Bond_Stereo_Count	0
2807878	Isotope_Atom_Count	0
16129778	Defined_Bond_Stereo_Count	0
12206	Defined_Bond_Stereo_Count	0
101544	Hydrogen_Bond_Donor_Count	5
10347721	Mono_Isotopic_Weight	558.20900452
5283632	Covalent_Unit_Count	1
15942672	TPSA	63.2
82650946	Undefined_Atom_Stereo_Count	0
14355311	Mono_Isotopic_Weight	121.01974964
51629	Mono_Isotopic_Weight	408.1716891
11502	Undefined_Bond_Stereo_Count	1
77579	Defined_Atom_Stereo_Count	0
6704	Covalent_Unit_Count	1
12785	XLogP3	1.7
165676	Molecular_Weight	944.1
875202	Non-hydrogen_Atom_Count	16
2725022	Structure_Complexity	339
71305059	Mono_Isotopic_Weight	421.11618739
8147	Undefined_Atom_Stereo_Count	0
86278347	Molecular_Weight	447.5
57286	Undefined_Bond_Stereo_Count	0
11974214	Non-hydrogen_Atom_Count	34
53211	Hydrogen_Bond_Donor_Count	6
54572926	Total_Formal_Charge	0
89482	Undefined_Bond_Stereo_Count	0
69341050	Defined_Atom_Stereo_Count	0
16047027	Covalent_Unit_Count	2
519449	Defined_Bond_Stereo_Count	0
11886769	TPSA	190
49869040	Rotatable_Bond_Count	3
5362893	Defined_Atom_Stereo_Count	0
20713453	Non-hydrogen_Atom_Count	8
146158693	TPSA	58.9
21150622	Structure_Complexity	545
8142	Tautomer_Count	1
2342	Non-hydrogen_Atom_Count	29
19884375	Rotatable_Bond_Count	3
398592	Non-hydrogen_Atom_Count	19
22125	Rotatable_Bond_Count	0
134664	XLogP3-AA	1.9
140048	Exact_Mass	120.02450067
91558991	Isotope_Atom_Count	0
24946799	Undefined_Atom_Stereo_Count	1
7946	Tautomer_Count	1
3083655	Structure_Complexity	67.4
17132	Non-hydrogen_Atom_Count	13
10026	XLogP3-AA	1.8
139057938	Mono_Isotopic_Weight	365.1142338
53384934	Isotope_Atom_Count	0
22607	Total_Formal_Charge	0
11935	Total_Formal_Charge	0
121410806	Rotatable_Bond_Count	9
21907926	XLogP3-AA	0.8
91536	Undefined_Atom_Stereo_Count	0
2734445	Non-hydrogen_Atom_Count	10
21876618	Molecular_Weight	108.10
19385	Defined_Atom_Stereo_Count	0
163050683	Total_Formal_Charge	0
4358655	Total_Formal_Charge	0
124005380	Defined_Bond_Stereo_Count	0
4788	Undefined_Bond_Stereo_Count	0
19868281	Hydrogen_Bond_Donor_Count	2
66053	Undefined_Atom_Stereo_Count	0
5223	Isotope_Atom_Count	0
56032	Hydrogen_Bond_Donor_Count	1
317883	Total_Formal_Charge	0
582	Undefined_Bond_Stereo_Count	0
47676	Isotope_Atom_Count	0
101194	Molecular_Weight	113.16
3037	Rotatable_Bond_Count	2
5458165	Rotatable_Bond_Count	6
63996	Structure_Complexity	469
5101	Defined_Atom_Stereo_Count	0
59716033	Mono_Isotopic_Weight	96.068748264
23103323	Defined_Bond_Stereo_Count	0
36054	Structure_Complexity	163
281	Undefined_Atom_Stereo_Count	0
19526	Structure_Complexity	70.1
2754342	Mono_Isotopic_Weight	176.12348643
448812	Non-hydrogen_Atom_Count	57
19814	Isotope_Atom_Count	0
18353957	Mono_Isotopic_Weight	111.068413911
21093792	TPSA	90.9
87089	Mono_Isotopic_Weight	290.153146591
10772937	Undefined_Atom_Stereo_Count	1
400185	Hydrogen_Bond_Acceptor_Count	5
12372	Non-hydrogen_Atom_Count	8
6433573	Covalent_Unit_Count	1
56720	Undefined_Bond_Stereo_Count	0
158032	XLogP3	4.4
83674	Mono_Isotopic_Weight	169.90096141
15981237	Mono_Isotopic_Weight	434.0297083
6973628	XLogP3-AA	1.6
4043	Molecular_Weight	344.5
65914	Total_Formal_Charge	0
61634	Defined_Atom_Stereo_Count	0
61594	Covalent_Unit_Count	1
78090	Tautomer_Count	1
18506421	Rotatable_Bond_Count	0
3544	Hydrogen_Bond_Acceptor_Count	5
162990684	Isotope_Atom_Count	0
122662800	Molecular_Weight	114.15
118704754	Non-hydrogen_Atom_Count	29
86876	Defined_Atom_Stereo_Count	0
86233	Exact_Mass	317.1294900
16760227	Hydrogen_Bond_Acceptor_Count	7
21786	Defined_Bond_Stereo_Count	0
7260	TPSA	26
529389	Covalent_Unit_Count	1
3862645	Rotatable_Bond_Count	6
60594	Defined_Bond_Stereo_Count	0
83970	Hydrogen_Bond_Acceptor_Count	12
6432469	XLogP3-AA	2.7
185902	Non-hydrogen_Atom_Count	27
1072	Hydrogen_Bond_Donor_Count	5
69262871	Covalent_Unit_Count	1
125449602	Defined_Atom_Stereo_Count	0
10220256	Hydrogen_Bond_Acceptor_Count	3
9547713	Molecular_Weight	114.15
23136363	Non-hydrogen_Atom_Count	26
22099238	Isotope_Atom_Count	0
68678	Rotatable_Bond_Count	3
11627212	XLogP3-AA	9.4
447700	Exact_Mass	426.0650312
10218	TPSA	63.2
28692	Non-hydrogen_Atom_Count	21
366248	Mono_Isotopic_Weight	872.66826128
1771194	Structure_Complexity	702
8447	Rotatable_Bond_Count	3
1549016	Defined_Atom_Stereo_Count	0
20472522	Mono_Isotopic_Weight	94.078250319
62066	Rotatable_Bond_Count	5
1801	Exact_Mass	160.074896272
10034577	TPSA	32.3
198136	Undefined_Bond_Stereo_Count	0
9081	Undefined_Atom_Stereo_Count	2
12240	Exact_Mass	116.120115130
984454	XLogP3-AA	5.4
7272	Total_Formal_Charge	0
53143	TPSA	132
129689816	Total_Formal_Charge	0
627816	Structure_Complexity	466
76688	TPSA	26
26192	Undefined_Bond_Stereo_Count	0
18924037	Non-hydrogen_Atom_Count	8
67108132	Total_Formal_Charge	0
12559	Hydrogen_Bond_Acceptor_Count	16
67818	Mono_Isotopic_Weight	363.9768954
143719689	Defined_Atom_Stereo_Count	0
32804	Covalent_Unit_Count	1
22860	Total_Formal_Charge	0
70421410	Hydrogen_Bond_Acceptor_Count	3
25058197	Exact_Mass	223.1127773
2801745	Total_Formal_Charge	0
748002	Defined_Bond_Stereo_Count	0
141315890	Structure_Complexity	72.1
56668931	Mono_Isotopic_Weight	354.20557608
44521016	Defined_Atom_Stereo_Count	0
5484438	Mono_Isotopic_Weight	407.19440226
45375806	Isotope_Atom_Count	0
5327073	Rotatable_Bond_Count	11
2723610	Exact_Mass	342.11621151
16682740	Non-hydrogen_Atom_Count	17
71743826	Rotatable_Bond_Count	1
12040	Covalent_Unit_Count	1
3878	Hydrogen_Bond_Acceptor_Count	5
947	XLogP3-AA	0.1
89976681	Mono_Isotopic_Weight	107.037113783
64822	Exact_Mass	243.0298355
37933	Defined_Atom_Stereo_Count	2
13538	Covalent_Unit_Count	1
8248	Molecular_Weight	452.6
31013	Exact_Mass	225.13649347
408793	Defined_Bond_Stereo_Count	0
45381802	Undefined_Atom_Stereo_Count	0
18733	Total_Formal_Charge	1
568783	Isotope_Atom_Count	0
7684	Non-hydrogen_Atom_Count	11
72474	Structure_Complexity	636
30690	Structure_Complexity	527
22522	Non-hydrogen_Atom_Count	17
130600	Mono_Isotopic_Weight	113.084063974
452126	TPSA	114
14079045	Rotatable_Bond_Count	7
12181	Structure_Complexity	84.1
8022	Exact_Mass	71.037113783
54677971	TPSA	136
12256	Covalent_Unit_Count	1
70715	Hydrogen_Bond_Donor_Count	1
16639	Covalent_Unit_Count	1
91394869	Hydrogen_Bond_Acceptor_Count	2
101942760	Non-hydrogen_Atom_Count	17
57752105	Rotatable_Bond_Count	7
38439	Exact_Mass	355.854618
10953464	Hydrogen_Bond_Donor_Count	2
29761	Rotatable_Bond_Count	11
73744469	Molecular_Weight	582.0
156651923	Undefined_Atom_Stereo_Count	2
85838693	Isotope_Atom_Count	0
101616201	Covalent_Unit_Count	1
63989	Defined_Atom_Stereo_Count	0
1546	Undefined_Bond_Stereo_Count	0
95070	Covalent_Unit_Count	1
85960	Rotatable_Bond_Count	11
7934	Defined_Atom_Stereo_Count	0
1133320	Hydrogen_Bond_Acceptor_Count	7
213056	Total_Formal_Charge	0
3796	Covalent_Unit_Count	1
22054419	TPSA	34.9
52940942	TPSA	77.2
2737168	Structure_Complexity	115
25172086	Defined_Atom_Stereo_Count	1
67472	Defined_Atom_Stereo_Count	0
25227436	Hydrogen_Bond_Acceptor_Count	6
9815689	Hydrogen_Bond_Donor_Count	0
4438527	Molecular_Weight	679.0
14373	Total_Formal_Charge	0
80065	TPSA	78.9
135459889	Mono_Isotopic_Weight	167.02051497
12492	Isotope_Atom_Count	0
155465	Defined_Atom_Stereo_Count	0
2040	Undefined_Atom_Stereo_Count	0
9909392	TPSA	83.8
81058	Hydrogen_Bond_Acceptor_Count	2
44560806	Mono_Isotopic_Weight	348.12561169
90472770	Defined_Atom_Stereo_Count	4
9230	Mono_Isotopic_Weight	117.057849228
15739356	Undefined_Atom_Stereo_Count	0
3058	Mono_Isotopic_Weight	478.25308057
46783795	Mono_Isotopic_Weight	514.22028266
10236037	TPSA	63.3
11955716	Defined_Atom_Stereo_Count	0
372978	Covalent_Unit_Count	1
27553	Covalent_Unit_Count	1
107280	Defined_Atom_Stereo_Count	0
60359	Covalent_Unit_Count	1
3206	Hydrogen_Bond_Donor_Count	2
148202	Total_Formal_Charge	0
107646	Exact_Mass	291.0192881
68027	Covalent_Unit_Count	1
20429663	Isotope_Atom_Count	0
146887978	Isotope_Atom_Count	0
10046374	Defined_Atom_Stereo_Count	0
54192233	Exact_Mass	143.131014166
228	Non-hydrogen_Atom_Count	27
11062343	XLogP3-AA	1.7
43833377	Rotatable_Bond_Count	0
3776755	Defined_Bond_Stereo_Count	0
6456015	Hydrogen_Bond_Acceptor_Count	9
54684598	Covalent_Unit_Count	1
10034581	Undefined_Atom_Stereo_Count	0
71315012	Defined_Bond_Stereo_Count	2
176166	Defined_Atom_Stereo_Count	0
23163355	Isotope_Atom_Count	0
1511	Defined_Atom_Stereo_Count	0
60207729	Mono_Isotopic_Weight	113.022526347
6918670	Structure_Complexity	926
146684433	Total_Formal_Charge	0
24181110	Rotatable_Bond_Count	0
15728264	Hydrogen_Bond_Acceptor_Count	4
78027	Defined_Atom_Stereo_Count	0
6763	Exact_Mass	208.052429494
453131	Rotatable_Bond_Count	3
3813	Structure_Complexity	977
83639	Covalent_Unit_Count	1
90708518	Defined_Bond_Stereo_Count	0
24949247	Molecular_Weight	385.3
11029	Mono_Isotopic_Weight	83.9697855
167266	Hydrogen_Bond_Donor_Count	2
44626421	XLogP3-AA	5.6
582708	Exact_Mass	356.08644947
88334	Total_Formal_Charge	0
23354329	Non-hydrogen_Atom_Count	8
46204763	Total_Formal_Charge	0
68986	Defined_Atom_Stereo_Count	0
60662	Total_Formal_Charge	0
44521024	Isotope_Atom_Count	0
40855	Total_Formal_Charge	0
6858	Hydrogen_Bond_Donor_Count	0
23674215	Non-hydrogen_Atom_Count	18
11661757	Structure_Complexity	529
91497276	Covalent_Unit_Count	1
15561473	Non-hydrogen_Atom_Count	8
15590756	Mono_Isotopic_Weight	94.016712692
20607	Mono_Isotopic_Weight	183.162314293
76285	Isotope_Atom_Count	0
46926350	Molecular_Weight	396.5
2723631	Defined_Bond_Stereo_Count	0
11953808	Rotatable_Bond_Count	10
23704143	Tautomer_Count	4
30587	Defined_Atom_Stereo_Count	0
457928	TPSA	101
67979331	Defined_Atom_Stereo_Count	0
76968505	Molecular_Weight	325.9
23677989	Exact_Mass	751.15939355
6325	Rotatable_Bond_Count	0
22924371	Hydrogen_Bond_Acceptor_Count	2
201412	Hydrogen_Bond_Donor_Count	6
57387	TPSA	74.8
5486998	TPSA	152
72941990	Hydrogen_Bond_Acceptor_Count	6
12304613	Undefined_Bond_Stereo_Count	0
92850	Exact_Mass	404.3209791
21513403	Defined_Bond_Stereo_Count	0
30278	Undefined_Bond_Stereo_Count	0
86039889	TPSA	17.1
12304109	Hydrogen_Bond_Acceptor_Count	2
4913256	Undefined_Atom_Stereo_Count	0
11974215	Defined_Atom_Stereo_Count	0
129860447	Molecular_Weight	87.12
22600970	Defined_Bond_Stereo_Count	0
21014417	Total_Formal_Charge	0
21542775	Hydrogen_Bond_Acceptor_Count	2
54245381	Structure_Complexity	59.5
49843517	XLogP3-AA	7.7
23160101	Defined_Atom_Stereo_Count	0
20324725	TPSA	26.3
2091	Total_Formal_Charge	0
53807546	Isotope_Atom_Count	0
75579	Hydrogen_Bond_Donor_Count	0
9043	Undefined_Bond_Stereo_Count	0
13348970	Structure_Complexity	66.7
54236977	Undefined_Atom_Stereo_Count	2
5361250	Undefined_Bond_Stereo_Count	0
116863532	Structure_Complexity	96.6
493662	TPSA	331
2331	Exact_Mass	121.052763847
155907178	Covalent_Unit_Count	3
115001	Undefined_Atom_Stereo_Count	0
221145	Total_Formal_Charge	0
527764	Defined_Atom_Stereo_Count	0
1051	Structure_Complexity	292
2403	Undefined_Atom_Stereo_Count	0
22628430	Hydrogen_Bond_Donor_Count	0
71387	Non-hydrogen_Atom_Count	28
316473	Isotope_Atom_Count	0
66053	Mono_Isotopic_Weight	88.100048391
148121	Non-hydrogen_Atom_Count	35
53249784	Total_Formal_Charge	0
11732	Total_Formal_Charge	0
59791	Total_Formal_Charge	0
155971294	Covalent_Unit_Count	1
15229227	Molecular_Weight	231.68
10239891	Hydrogen_Bond_Donor_Count	4
9874874	Defined_Bond_Stereo_Count	0
21793339	Undefined_Bond_Stereo_Count	0
44229138	Structure_Complexity	317
12580406	Hydrogen_Bond_Donor_Count	2
44909	Hydrogen_Bond_Donor_Count	1
35717	Structure_Complexity	235
11170931	Total_Formal_Charge	0
3140955	Hydrogen_Bond_Acceptor_Count	5
15965	Hydrogen_Bond_Donor_Count	2
6454351	XLogP3	1.6
19094	Structure_Complexity	179
137430	Total_Formal_Charge	0
137117239	Covalent_Unit_Count	1
6918537	Exact_Mass	303.19467705
124426477	TPSA	57.2
6443803	Undefined_Atom_Stereo_Count	0
22404995	Isotope_Atom_Count	0
11983362	TPSA	76.2
4377	Hydrogen_Bond_Donor_Count	2
42051894	Defined_Bond_Stereo_Count	0
5078908	Defined_Atom_Stereo_Count	0
7819	XLogP3	2.2
15232	Hydrogen_Bond_Donor_Count	6
5288193	Undefined_Bond_Stereo_Count	0
449281	Mono_Isotopic_Weight	607.10531
101755686	Exact_Mass	977.52483213
136010411	Hydrogen_Bond_Acceptor_Count	3
12383043	Undefined_Atom_Stereo_Count	0
132279500	Structure_Complexity	99.2
17994055	Structure_Complexity	77.7
25418	Rotatable_Bond_Count	1
11269297	Structure_Complexity	535
101001463	Structure_Complexity	688
5171	Mono_Isotopic_Weight	293.13282569
4538	Rotatable_Bond_Count	2
8682	TPSA	93.8
77781	Mono_Isotopic_Weight	206.06128010
9901	Exact_Mass	312.208930132
656685	Structure_Complexity	665
10021783	Isotope_Atom_Count	0
1981	Exact_Mass	415.0822650
584645	Molecular_Weight	302.3
5459842	Hydrogen_Bond_Acceptor_Count	3
49007	Defined_Atom_Stereo_Count	0
76971016	Rotatable_Bond_Count	6
15145	Mono_Isotopic_Weight	84.057514874
7553	XLogP3-AA	0.4
22918788	Non-hydrogen_Atom_Count	6
14852454	Total_Formal_Charge	0
7179	Hydrogen_Bond_Donor_Count	0
69845357	Undefined_Bond_Stereo_Count	0
102678	Exact_Mass	580.4222973
132941102	Rotatable_Bond_Count	67
398592	Exact_Mass	271.18959167
45282362	Covalent_Unit_Count	1
146256	Rotatable_Bond_Count	6
5206	Total_Formal_Charge	0
402035	Hydrogen_Bond_Donor_Count	0
98042	Isotope_Atom_Count	0
22491624	Total_Formal_Charge	0
34409	Non-hydrogen_Atom_Count	26
7085	Non-hydrogen_Atom_Count	21
74267	Mono_Isotopic_Weight	398.13532476
166473353	Structure_Complexity	94.7
11670791	Defined_Bond_Stereo_Count	0
25835	TPSA	0
139920	Structure_Complexity	41.7
688154	Defined_Atom_Stereo_Count	2
10367	Defined_Atom_Stereo_Count	0
83823	Mono_Isotopic_Weight	461.20496695
15004706	Isotope_Atom_Count	0
1133	Rotatable_Bond_Count	1
134692352	Isotope_Atom_Count	0
69359	Rotatable_Bond_Count	2
2412	Non-hydrogen_Atom_Count	98
7861	TPSA	9.2
157882	Total_Formal_Charge	0
3415	Hydrogen_Bond_Donor_Count	3
53710320	XLogP3-AA	0.7
69676	TPSA	9.2
757	Molecular_Weight	76.05
3277	Covalent_Unit_Count	1
123249588	Mono_Isotopic_Weight	416.32904526
721436	Defined_Atom_Stereo_Count	1
123489618	Structure_Complexity	117
91895876	Hydrogen_Bond_Donor_Count	1
599239	Hydrogen_Bond_Donor_Count	0
24892840	Exact_Mass	446.1472106
7757	Non-hydrogen_Atom_Count	8
756229	Non-hydrogen_Atom_Count	24
83478501	Isotope_Atom_Count	0
60956	Non-hydrogen_Atom_Count	38
15741634	Molecular_Weight	101.19
12285822	Undefined_Bond_Stereo_Count	0
441244	Hydrogen_Bond_Acceptor_Count	6
65714	Tautomer_Count	3
21075	Total_Formal_Charge	0
12571	Hydrogen_Bond_Donor_Count	0
76223467	XLogP3-AA	0.2
91170688	TPSA	60.7
94411	Structure_Complexity	180
24833843	Undefined_Bond_Stereo_Count	0
56842327	Isotope_Atom_Count	0
6071	Undefined_Bond_Stereo_Count	0
77875900	Defined_Bond_Stereo_Count	0
21875354	Exact_Mass	159.102119336
23397	Hydrogen_Bond_Acceptor_Count	2
65546	Rotatable_Bond_Count	3
248370	Non-hydrogen_Atom_Count	27
83800	Undefined_Bond_Stereo_Count	0
68203	Structure_Complexity	696
5288703	Non-hydrogen_Atom_Count	25
21856472	Undefined_Bond_Stereo_Count	0
705497	Defined_Atom_Stereo_Count	0
5487068	Undefined_Bond_Stereo_Count	0
25137956	Defined_Bond_Stereo_Count	0
6269	Hydrogen_Bond_Donor_Count	1
11286	Covalent_Unit_Count	1
4145994	Exact_Mass	340.03813897
54149606	Covalent_Unit_Count	1
31222	Hydrogen_Bond_Acceptor_Count	2
9810601	Tautomer_Count	2
71453747	Undefined_Atom_Stereo_Count	0
25273227	Hydrogen_Bond_Donor_Count	1
6321414	Mono_Isotopic_Weight	557.12501980
6509724	Exact_Mass	534.2132792
11560414	Hydrogen_Bond_Acceptor_Count	9
2387	XLogP3-AA	1
92981	Total_Formal_Charge	0
13627693	Structure_Complexity	78.6
21930509	Hydrogen_Bond_Donor_Count	1
10560335	Undefined_Bond_Stereo_Count	0
132596289	Mono_Isotopic_Weight	192.162648646
66275	Molecular_Weight	285.8
115236	Covalent_Unit_Count	1
21115778	TPSA	138
71833	Exact_Mass	243.0662210
475	Defined_Bond_Stereo_Count	0
121596705	TPSA	92.8
17963199	Defined_Atom_Stereo_Count	0
7678	Covalent_Unit_Count	1
12563	Tautomer_Count	1
5491295	Hydrogen_Bond_Donor_Count	3
22967022	Hydrogen_Bond_Acceptor_Count	2
12313981	Undefined_Atom_Stereo_Count	0
220272	Hydrogen_Bond_Acceptor_Count	3
83335	Rotatable_Bond_Count	2
71713950	Isotope_Atom_Count	0
86790	Hydrogen_Bond_Donor_Count	0
13375090	Isotope_Atom_Count	0
44563109	Defined_Atom_Stereo_Count	0
71597391	Total_Formal_Charge	0
90878759	TPSA	24.7
9604	Exact_Mass	129.9985560
62654	XLogP3-AA	2.7
71306834	Isotope_Atom_Count	0
9548714	Total_Formal_Charge	0
456718	Mono_Isotopic_Weight	270.11167570
1821	Covalent_Unit_Count	1
75598	Exact_Mass	151.063328530
385	Undefined_Bond_Stereo_Count	0
67591	TPSA	44.8
27744	Defined_Bond_Stereo_Count	0
4454486	XLogP3-AA	2.9
13068494	Hydrogen_Bond_Donor_Count	1
95941	Hydrogen_Bond_Donor_Count	1
831	Hydrogen_Bond_Donor_Count	3
6440511	Undefined_Atom_Stereo_Count	0
5280804	Rotatable_Bond_Count	4
9085	Undefined_Atom_Stereo_Count	0
2063927	Defined_Atom_Stereo_Count	0
16667738	Structure_Complexity	552
11158091	Defined_Atom_Stereo_Count	8
541675	Undefined_Bond_Stereo_Count	0
11308	Exact_Mass	212.06847348
44552607	Undefined_Atom_Stereo_Count	1
23736	Hydrogen_Bond_Acceptor_Count	2
7048	Hydrogen_Bond_Donor_Count	0
86260793	Undefined_Bond_Stereo_Count	0
121410806	Non-hydrogen_Atom_Count	37
7030	Undefined_Atom_Stereo_Count	0
6917984	Undefined_Atom_Stereo_Count	0
22150757	Defined_Atom_Stereo_Count	0
44310838	Structure_Complexity	593
70498808	Non-hydrogen_Atom_Count	7
83437	XLogP3	1.4
5284369	Covalent_Unit_Count	1
115260	Rotatable_Bond_Count	10
129864962	Structure_Complexity	399
15817	Defined_Bond_Stereo_Count	0
2354	Exact_Mass	281.13889351
18597	Exact_Mass	150.104465066
535634	Total_Formal_Charge	0
13699300	Hydrogen_Bond_Donor_Count	0
7957	Isotope_Atom_Count	0
21414	Non-hydrogen_Atom_Count	21
23479	Tautomer_Count	1
449355	Hydrogen_Bond_Donor_Count	3
91231076	Undefined_Bond_Stereo_Count	0
21313738	Hydrogen_Bond_Donor_Count	1
9818024	Non-hydrogen_Atom_Count	22
53779803	Defined_Atom_Stereo_Count	0
11197931	Rotatable_Bond_Count	1
49288	XLogP3	1.8
2354	Non-hydrogen_Atom_Count	21
5819	Isotope_Atom_Count	0
887798	Covalent_Unit_Count	1
87300	Hydrogen_Bond_Acceptor_Count	2
334447	Molecular_Weight	227.30
11007917	Rotatable_Bond_Count	5
65456803	Defined_Bond_Stereo_Count	0
77737505	Hydrogen_Bond_Acceptor_Count	1
11534927	XLogP3-AA	2.5
106999	Isotope_Atom_Count	0
39526	Defined_Bond_Stereo_Count	0
5283344	Isotope_Atom_Count	0
56837137	Covalent_Unit_Count	2
89578803	Total_Formal_Charge	0
140557163	Total_Formal_Charge	0
9570290	TPSA	95.9
56680334	Structure_Complexity	694
90019226	Structure_Complexity	47
2228691	Defined_Atom_Stereo_Count	0
22979	Exact_Mass	487.11279790
440068	XLogP3-AA	5.6
13033	TPSA	0
60822	Total_Formal_Charge	0
13743295	Rotatable_Bond_Count	0
107744	Molecular_Weight	277.08
132277694	Total_Formal_Charge	0
57399426	Rotatable_Bond_Count	7
88728889	TPSA	58.7
8193	Non-hydrogen_Atom_Count	13
24838350	Structure_Complexity	867
6591	Covalent_Unit_Count	1
587311	Rotatable_Bond_Count	2
1235	Total_Formal_Charge	0
13664	XLogP3-AA	3.3
135618566	Covalent_Unit_Count	1
21720139	Isotope_Atom_Count	0
373077	Isotope_Atom_Count	0
10701	Tautomer_Count	1
51299	XLogP3	1.9
6608	Non-hydrogen_Atom_Count	15
75310475	Structure_Complexity	815
146395	Mono_Isotopic_Weight	504.1946483
26473	Mono_Isotopic_Weight	143.89618
56673014	Hydrogen_Bond_Donor_Count	1
24945227	Isotope_Atom_Count	0
57548589	Hydrogen_Bond_Donor_Count	0
13704589	Hydrogen_Bond_Donor_Count	1
98954	Mono_Isotopic_Weight	156.115029749
520326	Hydrogen_Bond_Acceptor_Count	2
5327067	Total_Formal_Charge	0
19239	Covalent_Unit_Count	1
539244	Structure_Complexity	1020
54567078	Defined_Bond_Stereo_Count	0
10113	Hydrogen_Bond_Donor_Count	2
87279974	Undefined_Atom_Stereo_Count	0
441451	Total_Formal_Charge	0
69818	Undefined_Atom_Stereo_Count	0
634	Total_Formal_Charge	0
102402827	Covalent_Unit_Count	1
6762	Total_Formal_Charge	0
33294	Exact_Mass	288.09490270
57312199	Undefined_Bond_Stereo_Count	0
9033	Molecular_Weight	43.07
9985155	Defined_Atom_Stereo_Count	0
5704083	Non-hydrogen_Atom_Count	23
74470	TPSA	55.8
3584	Rotatable_Bond_Count	11
10818	Covalent_Unit_Count	1
292249	Molecular_Weight	110.11
91881846	Undefined_Bond_Stereo_Count	0
21513403	Total_Formal_Charge	0
2202	Total_Formal_Charge	0
9925908	Molecular_Weight	286.37
71449805	Hydrogen_Bond_Donor_Count	1
121207396	Undefined_Bond_Stereo_Count	0
123254	Hydrogen_Bond_Acceptor_Count	2
11787114	Molecular_Weight	654.7
601293	Hydrogen_Bond_Acceptor_Count	2
79036	Isotope_Atom_Count	0
23385871	Covalent_Unit_Count	1
89077	Rotatable_Bond_Count	4
443130	Structure_Complexity	328
750190	Defined_Atom_Stereo_Count	1
79824	XLogP3	2.1
23591662	Total_Formal_Charge	0
21806652	Defined_Atom_Stereo_Count	0
7940	Total_Formal_Charge	0
70609968	Defined_Bond_Stereo_Count	0
5282948	Defined_Bond_Stereo_Count	2
52949543	Undefined_Atom_Stereo_Count	0
129688356	Hydrogen_Bond_Donor_Count	4
46205408	Exact_Mass	599.29551328
3073	TPSA	35.5
11848	Isotope_Atom_Count	0
93468	Total_Formal_Charge	0
95456	Undefined_Bond_Stereo_Count	0
61024	Tautomer_Count	1
69860	Exact_Mass	156.05349212
57674785	XLogP3-AA	1.7
7795	Exact_Mass	158.130679813
11338127	Undefined_Atom_Stereo_Count	0
6445562	Isotope_Atom_Count	0
20350152	XLogP3-AA	0.6
53318409	Defined_Atom_Stereo_Count	0
72142	Hydrogen_Bond_Donor_Count	1
715447	Non-hydrogen_Atom_Count	21
13721252	Isotope_Atom_Count	0
69695	Non-hydrogen_Atom_Count	11
53724680	TPSA	12
11240433	TPSA	49.8
9825084	Hydrogen_Bond_Donor_Count	0
21339024	Exact_Mass	97.089149355
14589	Mono_Isotopic_Weight	208.088815002
4024	Total_Formal_Charge	0
693959	XLogP3-AA	2.9
442021	Exact_Mass	394.18925731
71306415	TPSA	210
172307	Hydrogen_Bond_Donor_Count	1
643209	Rotatable_Bond_Count	2
2402	Molecular_Weight	453.5
15221251	Rotatable_Bond_Count	1
77314	Hydrogen_Bond_Donor_Count	0
42725	Mono_Isotopic_Weight	227.105862047
61181	Tautomer_Count	1
54175107	Exact_Mass	99.104799419
120507	Undefined_Atom_Stereo_Count	0
24211936	Isotope_Atom_Count	0
73282	TPSA	141
4127	Non-hydrogen_Atom_Count	19
12248	Non-hydrogen_Atom_Count	6
12674802	Hydrogen_Bond_Acceptor_Count	1
542317	Molecular_Weight	132.16
57505393	Defined_Atom_Stereo_Count	0
572565	Undefined_Bond_Stereo_Count	0
89137	Defined_Atom_Stereo_Count	0
69270	Structure_Complexity	97.8
2772	Exact_Mass	489.11515669
154214	Defined_Atom_Stereo_Count	2
7979	Covalent_Unit_Count	1
3344	Molecular_Weight	260.33
85794	Total_Formal_Charge	0
7498	Undefined_Atom_Stereo_Count	0
840260	Defined_Bond_Stereo_Count	0
9885981	Hydrogen_Bond_Acceptor_Count	5
61141	Isotope_Atom_Count	0
10909485	Non-hydrogen_Atom_Count	6
411817	Undefined_Bond_Stereo_Count	0
3652	Rotatable_Bond_Count	9
68704	Defined_Bond_Stereo_Count	0
78170	Total_Formal_Charge	0
12014	Undefined_Atom_Stereo_Count	0
71427280	Mono_Isotopic_Weight	112.063662883
606	Exact_Mass	238.03547307
10796706	Rotatable_Bond_Count	2
10200589	Molecular_Weight	393.4
24825270	Total_Formal_Charge	0
10246701	Molecular_Weight	341.4
118856278	Undefined_Bond_Stereo_Count	0
11673085	Covalent_Unit_Count	2
131698851	Covalent_Unit_Count	1
33251	Defined_Bond_Stereo_Count	0
16005120	Hydrogen_Bond_Acceptor_Count	1
18718394	Mono_Isotopic_Weight	88.016043985
141024055	Mono_Isotopic_Weight	108.068748264
65584	Undefined_Atom_Stereo_Count	0
5708	Molecular_Weight	314.1
71357579	Exact_Mass	115.099714038
431097	Defined_Atom_Stereo_Count	0
22238581	Undefined_Bond_Stereo_Count	0
8053	Tautomer_Count	1
22277879	Mono_Isotopic_Weight	116.083729621
77152	Covalent_Unit_Count	1
124019740	Covalent_Unit_Count	1
21473742	TPSA	65.6
1198	Exact_Mass	192.02700259
5284587	Rotatable_Bond_Count	2
53364510	Undefined_Atom_Stereo_Count	1
21520336	Undefined_Bond_Stereo_Count	0
76592	Undefined_Bond_Stereo_Count	0
15395	Undefined_Atom_Stereo_Count	0
4895	Non-hydrogen_Atom_Count	29
54084075	Undefined_Atom_Stereo_Count	0
3966	Defined_Atom_Stereo_Count	0
61119	Hydrogen_Bond_Donor_Count	0
20431673	Undefined_Atom_Stereo_Count	1
20508	Covalent_Unit_Count	1
290223	Mono_Isotopic_Weight	196.06703418
57066209	Non-hydrogen_Atom_Count	8
135209752	Non-hydrogen_Atom_Count	8
584667	XLogP3-AA	3.9
12259682	Structure_Complexity	414
22866	Defined_Bond_Stereo_Count	0
657378	Total_Formal_Charge	0
92154	Rotatable_Bond_Count	1
53242178	Undefined_Atom_Stereo_Count	0
6915	Mono_Isotopic_Weight	116.083729621
11442383	Structure_Complexity	640
13101	Covalent_Unit_Count	1
213049	Exact_Mass	465.13475634
32708	TPSA	65.7
23566493	Isotope_Atom_Count	0
4532218	Rotatable_Bond_Count	0
96402	XLogP3	5.2
235414	Total_Formal_Charge	0
11829	Isotope_Atom_Count	0
90827926	TPSA	9.2
16492	Tautomer_Count	1
158797	Exact_Mass	303.1389920
29685	Mono_Isotopic_Weight	341.13755610
8747	Molecular_Weight	321.70
13707	Non-hydrogen_Atom_Count	15
53432920	Mono_Isotopic_Weight	96.093900383
5787	Undefined_Atom_Stereo_Count	0
6603740	Structure_Complexity	401
9176	Exact_Mass	278.109550447
14919832	Total_Formal_Charge	0
11953153	Structure_Complexity	746
32838	Structure_Complexity	18.8
9919680	Exact_Mass	422.13789045
66485	Non-hydrogen_Atom_Count	20
710762	Hydrogen_Bond_Acceptor_Count	3
4724	Non-hydrogen_Atom_Count	21
46238536	XLogP3-AA	4.2
74097	Total_Formal_Charge	0
189821	Defined_Bond_Stereo_Count	0
68546	Defined_Atom_Stereo_Count	0
83478498	Structure_Complexity	84.1
65772	TPSA	80.2
54122457	Rotatable_Bond_Count	2
12480891	TPSA	3.2
75644	Rotatable_Bond_Count	1
49856296	Hydrogen_Bond_Donor_Count	2
5357253	Non-hydrogen_Atom_Count	8
6137	Non-hydrogen_Atom_Count	9
138677	Hydrogen_Bond_Donor_Count	1
11966	Rotatable_Bond_Count	4
9207	Tautomer_Count	1
9873	Hydrogen_Bond_Donor_Count	0
18541897	XLogP3-AA	0.8
21631	Undefined_Bond_Stereo_Count	0
498158	Tautomer_Count	54
6433288	Undefined_Atom_Stereo_Count	0
215932	Hydrogen_Bond_Acceptor_Count	4
44540469	XLogP3-AA	4.6
8087	Rotatable_Bond_Count	4
35056	Rotatable_Bond_Count	1
139586083	Non-hydrogen_Atom_Count	77
439233	Structure_Complexity	202
33672	Isotope_Atom_Count	0
688043	Rotatable_Bond_Count	1
6999977	Defined_Atom_Stereo_Count	1
450591	TPSA	63.3
53886733	Hydrogen_Bond_Donor_Count	0
7293	Isotope_Atom_Count	0
6098	Covalent_Unit_Count	1
100156	Isotope_Atom_Count	0
155288862	Covalent_Unit_Count	2
9819610	Undefined_Atom_Stereo_Count	0
137224318	Undefined_Atom_Stereo_Count	0
136796	Defined_Bond_Stereo_Count	0
90272	Non-hydrogen_Atom_Count	18
15193678	Total_Formal_Charge	0
213040	Undefined_Atom_Stereo_Count	1
122372096	Undefined_Bond_Stereo_Count	0
35687	Undefined_Bond_Stereo_Count	2
80867	Isotope_Atom_Count	0
85248	Defined_Atom_Stereo_Count	0
14693963	Defined_Atom_Stereo_Count	0
56675795	Isotope_Atom_Count	0
7182	Exact_Mass	209.06880783
213037	TPSA	167
16217359	Defined_Atom_Stereo_Count	0
10141	XLogP3-AA	1.8
82145	Defined_Atom_Stereo_Count	0
78933	Non-hydrogen_Atom_Count	25
40463608	Structure_Complexity	102
130845868	Isotope_Atom_Count	0
22349965	Undefined_Atom_Stereo_Count	0
219	Molecular_Weight	117.10
130659	Undefined_Atom_Stereo_Count	0
73268	Structure_Complexity	196
96772	TPSA	163
3121386	TPSA	84
6871216	Covalent_Unit_Count	1
189821	Molecular_Weight	441.5
57397809	Undefined_Bond_Stereo_Count	0
54584258	Mono_Isotopic_Weight	456.11609
54758501	Defined_Atom_Stereo_Count	0
8579	TPSA	49.3
12231	Undefined_Bond_Stereo_Count	0
71584163	Rotatable_Bond_Count	5
551493	Total_Formal_Charge	0
45051637	Structure_Complexity	19.1
14294923	Hydrogen_Bond_Donor_Count	1
20514191	Exact_Mass	99.104799419
14949967	Non-hydrogen_Atom_Count	7
144813235	Isotope_Atom_Count	0
3153	Hydrogen_Bond_Acceptor_Count	3
7080	Undefined_Bond_Stereo_Count	0
66647165	Structure_Complexity	42.8
3246242	TPSA	62.3
5288672	Rotatable_Bond_Count	6
594558	Hydrogen_Bond_Donor_Count	2
9795291	Rotatable_Bond_Count	4
71312582	Isotope_Atom_Count	62
57053963	Covalent_Unit_Count	1
8654	Undefined_Bond_Stereo_Count	0
34170	Structure_Complexity	143
441558	Structure_Complexity	147
7244	XLogP3	2.4
8698	Non-hydrogen_Atom_Count	13
547995	Exact_Mass	102.115698455
135539077	Rotatable_Bond_Count	7
882889	Defined_Atom_Stereo_Count	0
54192929	Total_Formal_Charge	0
64156	Exact_Mass	239.188529040
85614476	Defined_Atom_Stereo_Count	0
12866369	Undefined_Atom_Stereo_Count	2
73513	Isotope_Atom_Count	0
4314	Covalent_Unit_Count	1
9942657	Undefined_Bond_Stereo_Count	0
13848133	Hydrogen_Bond_Acceptor_Count	1
12222	Tautomer_Count	1
40697	Molecular_Weight	321.5
23674098	Undefined_Bond_Stereo_Count	0
10180201	Covalent_Unit_Count	1
10058	Isotope_Atom_Count	0
5365543	Mono_Isotopic_Weight	120.093900383
123178351	Mono_Isotopic_Weight	99.104799419
3034450	Non-hydrogen_Atom_Count	10
49862688	Defined_Atom_Stereo_Count	0
19594968	Structure_Complexity	31.9
123751374	Undefined_Atom_Stereo_Count	1
12741658	Molecular_Weight	100.12
316975	Molecular_Weight	209.22
15626755	Molecular_Weight	112.13
11455910	XLogP3-AA	7.8
11412355	Defined_Bond_Stereo_Count	0
8593	Defined_Bond_Stereo_Count	0
130124970	Defined_Bond_Stereo_Count	0
135121972	TPSA	96.4
55289397	Hydrogen_Bond_Donor_Count	2
135398596	Tautomer_Count	9
9966051	Tautomer_Count	4
6168933	Rotatable_Bond_Count	40
26651	Defined_Atom_Stereo_Count	2
13240377	Rotatable_Bond_Count	3
3326	Non-hydrogen_Atom_Count	28
124631517	Defined_Bond_Stereo_Count	0
354785	Structure_Complexity	310
1999	Molecular_Weight	248.28
273577	Exact_Mass	248.131348519
403591	Undefined_Atom_Stereo_Count	0
53825954	Exact_Mass	446.26683893
20691	Mono_Isotopic_Weight	284.282763776
26106	Undefined_Bond_Stereo_Count	0
1466	Undefined_Bond_Stereo_Count	0
197998	Exact_Mass	359.1652068
5281877	Hydrogen_Bond_Acceptor_Count	8
12719155	Undefined_Bond_Stereo_Count	0
4975	Defined_Bond_Stereo_Count	0
156412638	Molecular_Weight	110.12
611834	Covalent_Unit_Count	7
11544171	Covalent_Unit_Count	1
91463	TPSA	40.5
21306607	Total_Formal_Charge	0
679386	Non-hydrogen_Atom_Count	19
581383	Hydrogen_Bond_Donor_Count	0
62108	Non-hydrogen_Atom_Count	32
29681	Hydrogen_Bond_Acceptor_Count	4
25202509	Non-hydrogen_Atom_Count	31
2812423	Covalent_Unit_Count	1
637497	Hydrogen_Bond_Donor_Count	2
101289807	Defined_Bond_Stereo_Count	0
25138203	Mono_Isotopic_Weight	354.11504700
1244460	Covalent_Unit_Count	1
53893636	Isotope_Atom_Count	0
70447162	Structure_Complexity	90.4
58182899	Isotope_Atom_Count	0
57713	Exact_Mass	501.22101093
5284514	Exact_Mass	348.183778013
20849243	Structure_Complexity	223
8054	Exact_Mass	118.062994177
66679	Non-hydrogen_Atom_Count	12
91758	Molecular_Weight	283.4
16767284	Undefined_Atom_Stereo_Count	0
20255128	Undefined_Bond_Stereo_Count	0
22465468	Hydrogen_Bond_Donor_Count	1
20093437	Covalent_Unit_Count	1
4913256	Isotope_Atom_Count	0
3520	Structure_Complexity	26.3
5954	Total_Formal_Charge	0
2762830	Tautomer_Count	2
80603	Molecular_Weight	201.69
73937	Total_Formal_Charge	0
44458766	Molecular_Weight	275.3
3613700	Molecular_Weight	204.05
941650	Non-hydrogen_Atom_Count	30
299728	Hydrogen_Bond_Acceptor_Count	0
138199	Defined_Atom_Stereo_Count	0
3040551	Covalent_Unit_Count	2
9859365	Exact_Mass	225.115364102
5311308	Molecular_Weight	301.77
1034	Structure_Complexity	146
44430374	Structure_Complexity	424
91878	Isotope_Atom_Count	0
151248	Undefined_Atom_Stereo_Count	0
11851	Mono_Isotopic_Weight	178.04773803
5253	Molecular_Weight	272.37
18622	Molecular_Weight	238.28
16659682	Mono_Isotopic_Weight	408.04580
20298886	Covalent_Unit_Count	1
68901	Exact_Mass	265.06111730
20323	XLogP3-AA	1.6
5352624	Undefined_Atom_Stereo_Count	0
78607	XLogP3-AA	1.2
985126	Mono_Isotopic_Weight	463.9822900
17806258	Mono_Isotopic_Weight	107.037113783
135398501	Exact_Mass	551.24335857
71301276	Rotatable_Bond_Count	2
23688977	Covalent_Unit_Count	2
68437	Isotope_Atom_Count	0
88093945	TPSA	60.7
38018	Hydrogen_Bond_Acceptor_Count	0
12560	Hydrogen_Bond_Acceptor_Count	14
107202	Exact_Mass	166.062994177
643203	Hydrogen_Bond_Donor_Count	0
2826036	Molecular_Weight	236.25
10898648	Covalent_Unit_Count	1
92043507	Total_Formal_Charge	0
90409366	Defined_Atom_Stereo_Count	1
2734168	Undefined_Bond_Stereo_Count	0
12302675	Mono_Isotopic_Weight	342.11621151
18999023	Hydrogen_Bond_Donor_Count	1
6708701	XLogP3-AA	0.6
3073	Total_Formal_Charge	0
5086	Covalent_Unit_Count	1
489	Undefined_Atom_Stereo_Count	5
5383	Non-hydrogen_Atom_Count	15
6422	Molecular_Weight	114.02
15909	Isotope_Atom_Count	0
13399	XLogP3-AA	1.2
448285	Molecular_Weight	359.9
54360	Non-hydrogen_Atom_Count	28
24873277	XLogP3-AA	3
94418	Isotope_Atom_Count	0
154461366	Mono_Isotopic_Weight	107.037113783
60155274	Defined_Atom_Stereo_Count	1
5284515	Rotatable_Bond_Count	6
9980551	Rotatable_Bond_Count	4
23072212	Covalent_Unit_Count	1
5460795	Hydrogen_Bond_Donor_Count	3
65622	Total_Formal_Charge	0
147740	Defined_Atom_Stereo_Count	15
1837	Structure_Complexity	203
145915578	Total_Formal_Charge	0
23655	Hydrogen_Bond_Donor_Count	1
6443803	Isotope_Atom_Count	0
9868950	Molecular_Weight	425.6
36647	Hydrogen_Bond_Donor_Count	0
535634	Structure_Complexity	83.4
11284883	Rotatable_Bond_Count	0
24752	Rotatable_Bond_Count	8
631047	Undefined_Bond_Stereo_Count	1
14238	Undefined_Bond_Stereo_Count	1
45351	Mono_Isotopic_Weight	277.1233420
4814	Undefined_Bond_Stereo_Count	0
15410449	Molecular_Weight	399.2
3434	Defined_Bond_Stereo_Count	0
1615208	Covalent_Unit_Count	1
6917880	Defined_Atom_Stereo_Count	9
393601	Defined_Bond_Stereo_Count	0
308140	Exact_Mass	374.07903816
54231313	Hydrogen_Bond_Donor_Count	1
139192	Defined_Bond_Stereo_Count	0
60809	TPSA	66.5
544356	Molecular_Weight	274.4
12962854	Total_Formal_Charge	0
15062870	Hydrogen_Bond_Acceptor_Count	2
79612800	XLogP3-AA	0.7
136499	Tautomer_Count	1
71449858	Defined_Bond_Stereo_Count	0
13632	Isotope_Atom_Count	0
132469488	Structure_Complexity	1220
584547	Exact_Mass	416.21988874
45588096	Hydrogen_Bond_Donor_Count	58
56670034	Mono_Isotopic_Weight	453.20524173
75640	Defined_Atom_Stereo_Count	0
76469	Isotope_Atom_Count	0
83822	Rotatable_Bond_Count	10
24848191	Rotatable_Bond_Count	3
10080333	Molecular_Weight	100.16
84647649	Defined_Bond_Stereo_Count	0
89053239	Exact_Mass	107.037113783
9831414	Defined_Bond_Stereo_Count	11
12214987	TPSA	0
925253	Covalent_Unit_Count	1
7989	Rotatable_Bond_Count	3
16993	Undefined_Atom_Stereo_Count	1
16132429	Non-hydrogen_Atom_Count	172
84647654	Defined_Bond_Stereo_Count	0
43507	Isotope_Atom_Count	0
55716	TPSA	90.5
13799	Undefined_Bond_Stereo_Count	0
135565589	Isotope_Atom_Count	0
123725105	Exact_Mass	115.063328530
140985566	Hydrogen_Bond_Acceptor_Count	3
7020128	Defined_Atom_Stereo_Count	1
5280633	Undefined_Bond_Stereo_Count	0
93556	Defined_Bond_Stereo_Count	0
130515614	Molecular_Weight	110.15
9919910	Structure_Complexity	2080
29327	Isotope_Atom_Count	0
8012	Molecular_Weight	90.19
6380	Covalent_Unit_Count	1
446320	Covalent_Unit_Count	1
135406870	XLogP3-AA	0.9
54586637	Undefined_Bond_Stereo_Count	0
46839993	Covalent_Unit_Count	1
153687585	XLogP3-AA	2.6
5357002	Defined_Atom_Stereo_Count	0
5267	Defined_Atom_Stereo_Count	0
6918178	Hydrogen_Bond_Acceptor_Count	7
22269415	Exact_Mass	99.068413911
6391	TPSA	0
601577	Hydrogen_Bond_Acceptor_Count	2
398675	XLogP3-AA	5.1
94396	Structure_Complexity	233
6440	Defined_Atom_Stereo_Count	0
23729877	Hydrogen_Bond_Donor_Count	2
7526	Undefined_Atom_Stereo_Count	0
76720	XLogP3-AA	0.7
36255	Undefined_Bond_Stereo_Count	0
19768091	Hydrogen_Bond_Donor_Count	0
52943923	Defined_Bond_Stereo_Count	0
37134563	Defined_Bond_Stereo_Count	0
6697	TPSA	17.1
5959	Exact_Mass	322.0123269
21482444	Non-hydrogen_Atom_Count	8
72870	Exact_Mass	187.9795702
408511	Covalent_Unit_Count	1
10034603	Tautomer_Count	1
10237	XLogP3-AA	2.6
1281	Isotope_Atom_Count	0
51038316	Rotatable_Bond_Count	8
78490	Undefined_Bond_Stereo_Count	0
444972	Mono_Isotopic_Weight	116.01095860
16212118	Exact_Mass	320.20999276
159652940	XLogP3-AA	0.1
25114553	Defined_Bond_Stereo_Count	0
24678	Molecular_Weight	333.2
408714	Undefined_Atom_Stereo_Count	1
29356	Rotatable_Bond_Count	6
5378015	Rotatable_Bond_Count	2
32592	Undefined_Bond_Stereo_Count	0
13593925	Isotope_Atom_Count	0
6436055	Exact_Mass	453.07767569
428338	Hydrogen_Bond_Donor_Count	2
317457	Defined_Bond_Stereo_Count	0
5311167	Defined_Bond_Stereo_Count	0
1551246	Isotope_Atom_Count	0
56659	Mono_Isotopic_Weight	245.08743528
6433520	Structure_Complexity	385
19423644	Non-hydrogen_Atom_Count	7
62820	Exact_Mass	209.9606158
55287187	Hydrogen_Bond_Donor_Count	1
65802	TPSA	87.2
10482134	Defined_Atom_Stereo_Count	0
9746	Undefined_Atom_Stereo_Count	0
5281897	Isotope_Atom_Count	0
15747657	Total_Formal_Charge	0
33929	Covalent_Unit_Count	1
140376	Hydrogen_Bond_Acceptor_Count	2
167029	Defined_Atom_Stereo_Count	0
71295848	Exact_Mass	201.95763530
139078692	Defined_Atom_Stereo_Count	0
255191	Hydrogen_Bond_Donor_Count	0
70693142	Molecular_Weight	292.33
22717351	Rotatable_Bond_Count	2
82145	Hydrogen_Bond_Acceptor_Count	2
57519517	XLogP3-AA	1.6
140999	Isotope_Atom_Count	0
10221470	Total_Formal_Charge	0
59750537	Defined_Bond_Stereo_Count	0
5354789	Exact_Mass	205.085126602
22203	Exact_Mass	324.14739250
439935	Hydrogen_Bond_Donor_Count	2
55284046	Hydrogen_Bond_Acceptor_Count	2
4679	Hydrogen_Bond_Acceptor_Count	9
170361	Non-hydrogen_Atom_Count	16
2522	Tautomer_Count	1
40172	Tautomer_Count	1
22181493	Mono_Isotopic_Weight	96.068748264
393602	Exact_Mass	434.17293854
17907809	Undefined_Bond_Stereo_Count	0
2736145	Undefined_Bond_Stereo_Count	0
128419	Undefined_Atom_Stereo_Count	0
19759614	Undefined_Bond_Stereo_Count	0
136102	Hydrogen_Bond_Acceptor_Count	1
21914506	Non-hydrogen_Atom_Count	8
20607721	Exact_Mass	94.078250319
24916897	Mono_Isotopic_Weight	508.24160744
13661819	Exact_Mass	98.073164938
15940170	Structure_Complexity	655
91971361	Hydrogen_Bond_Donor_Count	1
9514	Total_Formal_Charge	0
190217	Non-hydrogen_Atom_Count	1
135413504	XLogP3-AA	1.6
160753	TPSA	43.4
4284	Mono_Isotopic_Weight	191.131014166
8923	Hydrogen_Bond_Donor_Count	1
3306	TPSA	52.5
11290087	TPSA	57.5
622923	XLogP3-AA	4.5
24883444	Total_Formal_Charge	0
65874	Defined_Bond_Stereo_Count	0
18798586	Exact_Mass	112.125200510
78330	Undefined_Atom_Stereo_Count	0
535717	Hydrogen_Bond_Donor_Count	0
1481	Structure_Complexity	328
44195571	Total_Formal_Charge	0
70520512	Undefined_Atom_Stereo_Count	2
21622656	Undefined_Atom_Stereo_Count	0
2540	Non-hydrogen_Atom_Count	45
57336523	Tautomer_Count	48
33498	Defined_Atom_Stereo_Count	2
15209807	Defined_Atom_Stereo_Count	0
32069	Undefined_Bond_Stereo_Count	0
3575	TPSA	26.3
92299	Mono_Isotopic_Weight	233.177964357
67742	Defined_Bond_Stereo_Count	0
54015928	Mono_Isotopic_Weight	97.052763847
67403	TPSA	60.7
12477	Isotope_Atom_Count	0
121207425	Defined_Atom_Stereo_Count	0
51971	Molecular_Weight	284.4
5281525	Hydrogen_Bond_Acceptor_Count	1
4098	Rotatable_Bond_Count	6
316724	TPSA	18.5
134695356	XLogP3-AA	4.8
36822	Hydrogen_Bond_Acceptor_Count	2
11349505	Structure_Complexity	315
9913	Tautomer_Count	1
6440511	Isotope_Atom_Count	0
79798	Non-hydrogen_Atom_Count	16
46898058	Undefined_Atom_Stereo_Count	0
24643	Exact_Mass	236.934287
846130	Hydrogen_Bond_Donor_Count	2
129316177	Total_Formal_Charge	0
70106	XLogP3-AA	1.3
26130	Tautomer_Count	1
5454	Defined_Bond_Stereo_Count	0
45046	Undefined_Atom_Stereo_Count	0
132279451	TPSA	91
5281232	Covalent_Unit_Count	1
57401680	Hydrogen_Bond_Acceptor_Count	5
23057	Total_Formal_Charge	0
9162	Total_Formal_Charge	0
84647683	Molecular_Weight	113.12
10364	Hydrogen_Bond_Acceptor_Count	1
117072551	Covalent_Unit_Count	1
2016	Non-hydrogen_Atom_Count	17
105037	Defined_Bond_Stereo_Count	0
6509724	Defined_Bond_Stereo_Count	1
163321054	TPSA	441
52918019	Structure_Complexity	367
13184281	Mono_Isotopic_Weight	118.062994177
135441757	Defined_Bond_Stereo_Count	0
54069261	Molecular_Weight	116.07
641660	Rotatable_Bond_Count	0
20067321	TPSA	28.7
628370	Mono_Isotopic_Weight	308.91677
181	Total_Formal_Charge	0
14947257	Rotatable_Bond_Count	2
5496539	Total_Formal_Charge	1
16683093	Structure_Complexity	335
71359064	Defined_Bond_Stereo_Count	0
73981	Mono_Isotopic_Weight	57.9905210
76013	Structure_Complexity	412
22718889	Isotope_Atom_Count	0
73707684	Undefined_Atom_Stereo_Count	1
71382907	Hydrogen_Bond_Donor_Count	1
118855904	Rotatable_Bond_Count	1
14325614	Exact_Mass	105.078978594
9467	Tautomer_Count	1
456161	Rotatable_Bond_Count	9
95456	Hydrogen_Bond_Acceptor_Count	2
514067	TPSA	43.4
4953	Covalent_Unit_Count	1
130659	Rotatable_Bond_Count	8
15553	Exact_Mass	190.9540837
19100566	TPSA	32.3
23672302	Molecular_Weight	342.4
15565709	Hydrogen_Bond_Donor_Count	2
663	Covalent_Unit_Count	1
70684819	Hydrogen_Bond_Acceptor_Count	5
8340	TPSA	41.8
7857	Mono_Isotopic_Weight	57.021463719
673473	Mono_Isotopic_Weight	303.14705815
5087	Defined_Bond_Stereo_Count	0
58390642	Non-hydrogen_Atom_Count	8
20834260	Isotope_Atom_Count	0
163640634	Molecular_Weight	114.15
137530132	Exact_Mass	531.17327
14912114	Undefined_Bond_Stereo_Count	0
31388	Isotope_Atom_Count	0
2741000	Hydrogen_Bond_Acceptor_Count	2
77287	Tautomer_Count	1
65376195	Defined_Bond_Stereo_Count	0
6594	Hydrogen_Bond_Acceptor_Count	3
18779169	Non-hydrogen_Atom_Count	8
10329273	Rotatable_Bond_Count	0
145711648	Hydrogen_Bond_Acceptor_Count	2
53315818	Hydrogen_Bond_Acceptor_Count	3
118499237	Undefined_Atom_Stereo_Count	0
50878556	Covalent_Unit_Count	2
6453528	Non-hydrogen_Atom_Count	21
117926	Tautomer_Count	1
135981362	XLogP3	0.4
1479	Non-hydrogen_Atom_Count	24
98207156	Undefined_Atom_Stereo_Count	0
3081905	Exact_Mass	1384.72384215
6327	Hydrogen_Bond_Acceptor_Count	0
60196390	Total_Formal_Charge	0
19747	Mono_Isotopic_Weight	391.1714350
37918	Isotope_Atom_Count	0
11108673	Defined_Atom_Stereo_Count	4
153913521	Hydrogen_Bond_Acceptor_Count	2
11398	Total_Formal_Charge	0
8594	Molecular_Weight	291.3
95809	Undefined_Bond_Stereo_Count	0
5742590	XLogP3-AA	7.7
220376	Undefined_Atom_Stereo_Count	0
349711	Undefined_Atom_Stereo_Count	0
446094	Molecular_Weight	154.3
57131009	Hydrogen_Bond_Donor_Count	0
148022	XLogP3-AA	0.2
21255491	Defined_Atom_Stereo_Count	0
264090	TPSA	51.8
9870652	Undefined_Atom_Stereo_Count	0
638340	Non-hydrogen_Atom_Count	22
441014	Exact_Mass	342.11621151
59966648	Hydrogen_Bond_Donor_Count	3
11499204	Rotatable_Bond_Count	0
10285780	Undefined_Atom_Stereo_Count	1
641298	Structure_Complexity	163
40894	Rotatable_Bond_Count	1
95616	Defined_Bond_Stereo_Count	0
23466227	Total_Formal_Charge	0
81601	Tautomer_Count	1
12015095	Isotope_Atom_Count	0
14180	Molecular_Weight	334.22
11652865	Exact_Mass	332.04669266
4687937	Rotatable_Bond_Count	1
91267	Isotope_Atom_Count	0
56679083	Undefined_Atom_Stereo_Count	0
39230	Molecular_Weight	342.1
10973	Undefined_Bond_Stereo_Count	0
12387212	Molecular_Weight	104.10
561861	Molecular_Weight	194.23
31075	Mono_Isotopic_Weight	294.173213330
32329	Molecular_Weight	273.37
58453	Hydrogen_Bond_Donor_Count	1
139084363	Undefined_Atom_Stereo_Count	0
5489258	TPSA	0
283654	Structure_Complexity	496
1306	Rotatable_Bond_Count	15
159661	Tautomer_Count	1
19709	Defined_Bond_Stereo_Count	0
2691	Undefined_Bond_Stereo_Count	0
69965423	Hydrogen_Bond_Donor_Count	1
45934626	Covalent_Unit_Count	1
3799953	Mono_Isotopic_Weight	78.03774543
130029088	Defined_Bond_Stereo_Count	0
7499	Exact_Mass	108.093900383
22320095	Isotope_Atom_Count	0
54178	Total_Formal_Charge	0
10325129	Undefined_Atom_Stereo_Count	1
21867906	Rotatable_Bond_Count	3
23247721	Undefined_Atom_Stereo_Count	0
890907	Molecular_Weight	250.29
65789	Hydrogen_Bond_Acceptor_Count	7
440005	Undefined_Bond_Stereo_Count	0
90936519	Hydrogen_Bond_Donor_Count	5
3082780	TPSA	32.3
36431	Molecular_Weight	422.0
8682	Total_Formal_Charge	1
10473927	Hydrogen_Bond_Acceptor_Count	4
88100859	Hydrogen_Bond_Acceptor_Count	5
92943	Exact_Mass	392.246378268
79319	Mono_Isotopic_Weight	296.891789
842	Molecular_Weight	250.27
9905875	Defined_Atom_Stereo_Count	1
11005	Defined_Bond_Stereo_Count	0
19516	Hydrogen_Bond_Acceptor_Count	2
15412	Defined_Atom_Stereo_Count	0
21908	Structure_Complexity	310
115367	Molecular_Weight	463.0
57403506	Molecular_Weight	435.4
219104	Tautomer_Count	1
366731	Non-hydrogen_Atom_Count	18
5354043	Hydrogen_Bond_Acceptor_Count	1
2733	Molecular_Weight	169.56
134085	Undefined_Atom_Stereo_Count	1
411828	TPSA	12.5
135761165	Undefined_Atom_Stereo_Count	0
12600	Hydrogen_Bond_Donor_Count	6
72196	Mono_Isotopic_Weight	532.16615634
23714994	Exact_Mass	240.07623855
88300	Isotope_Atom_Count	0
13968540	Structure_Complexity	74.2
6849	Rotatable_Bond_Count	0
6918049	Hydrogen_Bond_Donor_Count	1
6436143	Exact_Mass	1578.658339
12451640	Defined_Bond_Stereo_Count	0
80790	Exact_Mass	164.120115130
6197820	Hydrogen_Bond_Acceptor_Count	6
31593	Defined_Bond_Stereo_Count	0
7593	TPSA	17.1
71300410	Molecular_Weight	557.6
134688043	Total_Formal_Charge	0
752860	Total_Formal_Charge	0
556209	Hydrogen_Bond_Donor_Count	1
5281127	Hydrogen_Bond_Donor_Count	1
656777	Undefined_Atom_Stereo_Count	0
119828	Undefined_Atom_Stereo_Count	0
5273472	Hydrogen_Bond_Donor_Count	1
56982924	Molecular_Weight	117.10
44201343	Total_Formal_Charge	0
450598	Defined_Atom_Stereo_Count	0
71451930	XLogP3-AA	4.3
84081255	Structure_Complexity	90.6
65820	TPSA	66.8
54331	Hydrogen_Bond_Acceptor_Count	7
349957	TPSA	20.3
54676539	Structure_Complexity	1040
119057560	Rotatable_Bond_Count	7
9897	XLogP3-AA	1
18827	Total_Formal_Charge	0
14496	Hydrogen_Bond_Acceptor_Count	1
10080354	TPSA	17.1
54686904	Rotatable_Bond_Count	7
207292	Tautomer_Count	3
12750	Rotatable_Bond_Count	0
42642645	Mono_Isotopic_Weight	632.24464114
54321	XLogP3-AA	6.6
3631	Non-hydrogen_Atom_Count	19
5284513	Mono_Isotopic_Weight	326.18819469
19851629	Undefined_Atom_Stereo_Count	0
129815925	Undefined_Atom_Stereo_Count	0
24877	Undefined_Atom_Stereo_Count	0
146171122	Undefined_Bond_Stereo_Count	0
8640	Undefined_Bond_Stereo_Count	0
85576	TPSA	33
68981	XLogP3-AA	0.9
4592	Molecular_Weight	298.34
12488467	Covalent_Unit_Count	1
5380976	Non-hydrogen_Atom_Count	19
88729	XLogP3	3.9
133119158	Isotope_Atom_Count	2
5352624	XLogP3	4.8
8376	Mono_Isotopic_Weight	227.01783489
46591	Exact_Mass	215.175952981
57515953	Hydrogen_Bond_Acceptor_Count	7
16049090	Isotope_Atom_Count	0
65708	Covalent_Unit_Count	1
4259	Undefined_Atom_Stereo_Count	2
894	TPSA	166
9835303	Hydrogen_Bond_Acceptor_Count	2
14532111	Isotope_Atom_Count	0
14435951	TPSA	29.1
1343	Covalent_Unit_Count	1
21983433	Hydrogen_Bond_Acceptor_Count	3
59347	Tautomer_Count	1
3260420	Rotatable_Bond_Count	0
53497429	Non-hydrogen_Atom_Count	40
22859	Exact_Mass	474.01915776
12671690	Total_Formal_Charge	0
7060524	Mono_Isotopic_Weight	112.063662883
62530	Mono_Isotopic_Weight	206.167065321
18689	Undefined_Bond_Stereo_Count	0
540327	Exact_Mass	284.16237386
2758725	Structure_Complexity	87.1
53403603	Defined_Bond_Stereo_Count	0
12091	Total_Formal_Charge	0
32169	Rotatable_Bond_Count	7
15953353	Total_Formal_Charge	0
78521	Mono_Isotopic_Weight	339.0444402
54069261	Defined_Atom_Stereo_Count	0
5585	Hydrogen_Bond_Donor_Count	0
69732358	Hydrogen_Bond_Donor_Count	1
768	Isotope_Atom_Count	0
10134310	Defined_Atom_Stereo_Count	0
694358	Undefined_Bond_Stereo_Count	1
61236	Defined_Atom_Stereo_Count	0
25078013	Total_Formal_Charge	0
16227342	Undefined_Bond_Stereo_Count	0
68653619	Undefined_Bond_Stereo_Count	0
443115	Undefined_Atom_Stereo_Count	0
81577	Structure_Complexity	157
6763	Undefined_Bond_Stereo_Count	0
83904778	Mono_Isotopic_Weight	114.068079557
1040	Hydrogen_Bond_Acceptor_Count	8
15678	Hydrogen_Bond_Donor_Count	0
9571009	Defined_Atom_Stereo_Count	0
11267045	Isotope_Atom_Count	0
57354313	Undefined_Bond_Stereo_Count	0
25612	Isotope_Atom_Count	0
2762895	Non-hydrogen_Atom_Count	8
19101060	Defined_Bond_Stereo_Count	0
137379058	Molecular_Weight	254.4
676243	Structure_Complexity	409
15084312	Molecular_Weight	100.12
57740148	Defined_Atom_Stereo_Count	0
424353	Rotatable_Bond_Count	6
11548000	Molecular_Weight	510.7
91802613	Covalent_Unit_Count	1
54767229	Tautomer_Count	1
140248	XLogP3-AA	0.1
45266540	Hydrogen_Bond_Acceptor_Count	23
444013	Total_Formal_Charge	0
10084648	Total_Formal_Charge	0
6421522	Mono_Isotopic_Weight	216.126263138
38895	Tautomer_Count	1
57336523	Undefined_Bond_Stereo_Count	0
71624686	Hydrogen_Bond_Acceptor_Count	4
104975	Non-hydrogen_Atom_Count	15
99416	Exact_Mass	265.14264148
165075	Undefined_Bond_Stereo_Count	0
15041624	Total_Formal_Charge	0
119195	Structure_Complexity	258
3463	Total_Formal_Charge	0
123659755	Isotope_Atom_Count	0
9363	Non-hydrogen_Atom_Count	16
5485220	Non-hydrogen_Atom_Count	30
81846	Isotope_Atom_Count	0
28080	Total_Formal_Charge	0
62406	Hydrogen_Bond_Donor_Count	1
635	Hydrogen_Bond_Donor_Count	4
23667626	Hydrogen_Bond_Acceptor_Count	26
16211233	Non-hydrogen_Atom_Count	12
18769664	Undefined_Bond_Stereo_Count	0
65684	Structure_Complexity	241
45109807	Total_Formal_Charge	0
5047209	Rotatable_Bond_Count	0
23520950	Hydrogen_Bond_Donor_Count	0
20561716	Total_Formal_Charge	0
54686261	Molecular_Weight	386.4
44588235	Undefined_Atom_Stereo_Count	0
68432538	Undefined_Bond_Stereo_Count	1
12527	Rotatable_Bond_Count	4
70545463	Mono_Isotopic_Weight	95.073499291
22246713	TPSA	55.6
105426935	Non-hydrogen_Atom_Count	7
9854073	Molecular_Weight	835.9
265652	Defined_Atom_Stereo_Count	0
65300	TPSA	29.1
89061875	Defined_Bond_Stereo_Count	0
75496	Defined_Bond_Stereo_Count	0
40466900	Mono_Isotopic_Weight	411.19601972
3024461	Rotatable_Bond_Count	5
10646616	Undefined_Bond_Stereo_Count	0
12385064	Hydrogen_Bond_Donor_Count	0
6916033	Structure_Complexity	457
21952893	Isotope_Atom_Count	0
15650	Molecular_Weight	98.14
156410	Total_Formal_Charge	0
90753032	Covalent_Unit_Count	1
234735	Structure_Complexity	94
30874	Non-hydrogen_Atom_Count	13
15030236	XLogP3-AA	2.6
21585139	Hydrogen_Bond_Acceptor_Count	1
24802109	Rotatable_Bond_Count	6
45358055	Defined_Atom_Stereo_Count	4
68207	Rotatable_Bond_Count	1
2786	Tautomer_Count	2
9823224	Non-hydrogen_Atom_Count	30
5289531	Molecular_Weight	612.8
84647707	Structure_Complexity	103
11485656	Hydrogen_Bond_Donor_Count	4
17858	Undefined_Bond_Stereo_Count	0
42153	XLogP3	2.7
66550979	Rotatable_Bond_Count	7
68947	Hydrogen_Bond_Acceptor_Count	2
509147	Mono_Isotopic_Weight	296.12214376
15951420	Covalent_Unit_Count	1
493342	Non-hydrogen_Atom_Count	23
29837	Hydrogen_Bond_Acceptor_Count	2
65452	Exact_Mass	764.50746311
12719155	Hydrogen_Bond_Acceptor_Count	2
21118222	Exact_Mass	303.0621982
5034	Non-hydrogen_Atom_Count	21
148039025	Hydrogen_Bond_Acceptor_Count	1
132941102	Isotope_Atom_Count	0
11389	TPSA	25.8
12698	Defined_Atom_Stereo_Count	0
136219154	Defined_Atom_Stereo_Count	0
59446219	Non-hydrogen_Atom_Count	47
41556	Non-hydrogen_Atom_Count	19
54384029	Rotatable_Bond_Count	0
86266	Total_Formal_Charge	0
9874175	Defined_Atom_Stereo_Count	1
5094381	Undefined_Atom_Stereo_Count	0
129860157	Exact_Mass	95.073499291
71031	Mono_Isotopic_Weight	250.01222190
136433	Defined_Atom_Stereo_Count	0
85768913	Hydrogen_Bond_Donor_Count	0
70969	Tautomer_Count	1
11509958	Non-hydrogen_Atom_Count	25
8133	TPSA	29.5
68849	Mono_Isotopic_Weight	297.19400834
8225	Defined_Bond_Stereo_Count	0
20691661	Hydrogen_Bond_Donor_Count	2
44392137	Exact_Mass	530.26031425
49769064	Structure_Complexity	1340
615	Non-hydrogen_Atom_Count	14
13472	Defined_Atom_Stereo_Count	5
3337	Covalent_Unit_Count	1
129627867	Rotatable_Bond_Count	5
139133	Covalent_Unit_Count	1
12102	Rotatable_Bond_Count	1
11305985	Isotope_Atom_Count	0
3084667	Tautomer_Count	1
5284557	Covalent_Unit_Count	1
91662	Defined_Bond_Stereo_Count	0
441335	Mono_Isotopic_Weight	426.1364648
85296	Non-hydrogen_Atom_Count	9
93130	Defined_Bond_Stereo_Count	0
165664742	Structure_Complexity	124
120507	Undefined_Bond_Stereo_Count	0
447634	Mono_Isotopic_Weight	230.01915430
17028077	Defined_Bond_Stereo_Count	0
6918123	Isotope_Atom_Count	0
69896	Structure_Complexity	191
694876	Hydrogen_Bond_Acceptor_Count	3
20207	TPSA	18.5
549253	Covalent_Unit_Count	1
52716	Molecular_Weight	399.8
38945	Molecular_Weight	192.26
5281894	Total_Formal_Charge	0
68746916	Mono_Isotopic_Weight	518.14577163
164633	Rotatable_Bond_Count	2
58420727	Total_Formal_Charge	0
46919879	Rotatable_Bond_Count	15
13374320	Hydrogen_Bond_Donor_Count	1
13479278	Hydrogen_Bond_Acceptor_Count	1
9941306	Defined_Atom_Stereo_Count	9
10534621	Defined_Atom_Stereo_Count	0
19536	Hydrogen_Bond_Donor_Count	0
65019	Hydrogen_Bond_Acceptor_Count	2
71661158	Defined_Bond_Stereo_Count	0
222786	Exact_Mass	360.19367399
73174	Non-hydrogen_Atom_Count	17
80265	Total_Formal_Charge	0
5258	Isotope_Atom_Count	0
444254	Rotatable_Bond_Count	9
8230	Total_Formal_Charge	0
25600	Exact_Mass	193.05613515
3033769	Non-hydrogen_Atom_Count	22
535824	Covalent_Unit_Count	1
11547499	Isotope_Atom_Count	0
4890	Tautomer_Count	2
24848382	Undefined_Atom_Stereo_Count	0
10374415	Hydrogen_Bond_Acceptor_Count	1
145679260	Structure_Complexity	125
834999	Hydrogen_Bond_Acceptor_Count	6
6947362	Covalent_Unit_Count	1
137547	Undefined_Atom_Stereo_Count	0
60060441	Defined_Bond_Stereo_Count	0
334657	Structure_Complexity	180
6398969	TPSA	49.7
210172	TPSA	53.1
61868	Hydrogen_Bond_Acceptor_Count	2
20723390	Defined_Atom_Stereo_Count	0
11769095	Isotope_Atom_Count	0
82140	Isotope_Atom_Count	0
2649	Undefined_Bond_Stereo_Count	0
13236258	Total_Formal_Charge	0
42509	Molecular_Weight	329.9
129680036	Hydrogen_Bond_Acceptor_Count	1
53316386	Non-hydrogen_Atom_Count	36
118010510	Defined_Bond_Stereo_Count	0
19438455	Defined_Bond_Stereo_Count	0
59018485	Undefined_Bond_Stereo_Count	0
219081	Defined_Atom_Stereo_Count	0
45256107	Isotope_Atom_Count	0
21464101	TPSA	29.1
54060	Molecular_Weight	413.5
64805	Hydrogen_Bond_Acceptor_Count	3
46936582	Hydrogen_Bond_Donor_Count	6
23669238	Mono_Isotopic_Weight	537.8933753
73343	Mono_Isotopic_Weight	164.04419074
8203	Non-hydrogen_Atom_Count	21
9892815	TPSA	123
971023	Rotatable_Bond_Count	6
71411033	Rotatable_Bond_Count	1
36667	Molecular_Weight	289.4
93804	Molecular_Weight	608.3
16760063	Non-hydrogen_Atom_Count	34
5318591	Defined_Atom_Stereo_Count	5
9820034	Total_Formal_Charge	0
398559	Hydrogen_Bond_Acceptor_Count	7
140956	Rotatable_Bond_Count	2
57395978	Covalent_Unit_Count	1
3699	Total_Formal_Charge	0
9555	Hydrogen_Bond_Acceptor_Count	21
9806063	Non-hydrogen_Atom_Count	34
69667	Molecular_Weight	104.15
44338979	Exact_Mass	498.13168558
10087661	Exact_Mass	324.0221037
9789	Undefined_Bond_Stereo_Count	0
244867	Total_Formal_Charge	0
45588109	Hydrogen_Bond_Acceptor_Count	5
86220885	TPSA	26
227112	TPSA	74.6
24815904	Rotatable_Bond_Count	5
93706	Undefined_Bond_Stereo_Count	0
23284	XLogP3-AA	4.7
15394	Hydrogen_Bond_Acceptor_Count	1
3532561	Undefined_Atom_Stereo_Count	0
11725766	XLogP3-AA	4.7
5459319	Structure_Complexity	1030
130122746	Non-hydrogen_Atom_Count	8
43601	Mono_Isotopic_Weight	97.052763847
564558	Hydrogen_Bond_Acceptor_Count	2
13207481	TPSA	63.3
138349	Structure_Complexity	127
166918	Hydrogen_Bond_Donor_Count	6
9555	Defined_Atom_Stereo_Count	0
969	Exact_Mass	773.17929631
135564655	TPSA	271
653473	Defined_Atom_Stereo_Count	0
16217852	Mono_Isotopic_Weight	125.047678466
135403802	TPSA	107
54582513	XLogP3-AA	4.1
40466924	Hydrogen_Bond_Donor_Count	1
41386	Undefined_Atom_Stereo_Count	1
54487968	Mono_Isotopic_Weight	110.109550447
156595906	Mono_Isotopic_Weight	852.15113847
2154	Defined_Bond_Stereo_Count	0
4438527	Covalent_Unit_Count	1
14120104	Structure_Complexity	78.2
70695654	Structure_Complexity	1000
135444614	Hydrogen_Bond_Acceptor_Count	5
39688	Structure_Complexity	450
55397	Structure_Complexity	243
6419719	Defined_Bond_Stereo_Count	0
16028	XLogP3-AA	5.3
22601	Defined_Bond_Stereo_Count	0
57123750	Structure_Complexity	2330
10964	Mono_Isotopic_Weight	72.021129366
62662	Undefined_Atom_Stereo_Count	0
6973640	XLogP3	2.7
129866213	Covalent_Unit_Count	1
3045381	Defined_Bond_Stereo_Count	0
23690996	Non-hydrogen_Atom_Count	8
21718901	Defined_Bond_Stereo_Count	0
696	Undefined_Bond_Stereo_Count	0
431751	Defined_Atom_Stereo_Count	0
3035016	Molecular_Weight	483.5
6323	TPSA	0
17864	Structure_Complexity	28.7
9363	Total_Formal_Charge	0
51049440	XLogP3-AA	0.6
13019052	Covalent_Unit_Count	1
399594	Rotatable_Bond_Count	1
24808	Molecular_Weight	158.35
75609	Tautomer_Count	1
129847163	Structure_Complexity	382
66270	Covalent_Unit_Count	1
365938	Molecular_Weight	385.8
90983396	Covalent_Unit_Count	1
46724	Defined_Bond_Stereo_Count	0
3038517	Undefined_Bond_Stereo_Count	0
1080	Rotatable_Bond_Count	5
139938268	Undefined_Atom_Stereo_Count	1
175854	Defined_Bond_Stereo_Count	1
123933412	Structure_Complexity	174
107968	Molecular_Weight	205.28
21973779	Undefined_Bond_Stereo_Count	0
6935	Covalent_Unit_Count	1
70046010	Structure_Complexity	108
54610537	Isotope_Atom_Count	0
73707356	Defined_Atom_Stereo_Count	0
12968	Undefined_Bond_Stereo_Count	0
123867503	Total_Formal_Charge	0
71451733	Mono_Isotopic_Weight	372.19615422
124081896	Non-hydrogen_Atom_Count	40
286595	Non-hydrogen_Atom_Count	9
16050931	Isotope_Atom_Count	0
44629592	Rotatable_Bond_Count	14
5360807	Undefined_Atom_Stereo_Count	0
908	Tautomer_Count	2
79510	Undefined_Bond_Stereo_Count	0
11706282	Undefined_Atom_Stereo_Count	0
13113	Defined_Bond_Stereo_Count	0
97535	Tautomer_Count	4
4093	Exact_Mass	86.036779430
58750499	Hydrogen_Bond_Acceptor_Count	2
5282182	Isotope_Atom_Count	0
71308755	Defined_Bond_Stereo_Count	5
1890	XLogP3-AA	2.5
118972006	Total_Formal_Charge	0
132941102	Undefined_Bond_Stereo_Count	0
23666110	Total_Formal_Charge	0
9888075	Covalent_Unit_Count	2
154240696	Mono_Isotopic_Weight	99.079647300
5963	Defined_Atom_Stereo_Count	0
10677836	XLogP3-AA	7.5
21581827	Defined_Atom_Stereo_Count	4
328	Undefined_Atom_Stereo_Count	1
821629	Undefined_Bond_Stereo_Count	0
659064	Undefined_Atom_Stereo_Count	1
67258704	Defined_Atom_Stereo_Count	0
729483	Defined_Bond_Stereo_Count	0
53477948	Mono_Isotopic_Weight	510.42842495
64	TPSA	40.5
5362124	Defined_Bond_Stereo_Count	0
129847163	Isotope_Atom_Count	0
143047391	Hydrogen_Bond_Donor_Count	1
139292184	Hydrogen_Bond_Acceptor_Count	17
950975	Undefined_Bond_Stereo_Count	1
3085389	Rotatable_Bond_Count	6
1745	Molecular_Weight	98.10
19078026	Hydrogen_Bond_Donor_Count	0
911023	Mono_Isotopic_Weight	228.126263138
41545	Total_Formal_Charge	0
228506	Covalent_Unit_Count	1
837	Defined_Atom_Stereo_Count	0
137580	Structure_Complexity	55.4
68068812	Total_Formal_Charge	0
69610	Structure_Complexity	64
68321915	Non-hydrogen_Atom_Count	25
27284	Defined_Bond_Stereo_Count	0
139145	Structure_Complexity	409
3375	Isotope_Atom_Count	0
13905	Rotatable_Bond_Count	5
626366	Defined_Atom_Stereo_Count	0
68646	Mono_Isotopic_Weight	229.1233420
96135	Undefined_Atom_Stereo_Count	0
54217227	Defined_Bond_Stereo_Count	0
176595	TPSA	154
72913	Undefined_Atom_Stereo_Count	0
5783	TPSA	37.3
20387237	Hydrogen_Bond_Acceptor_Count	1
146701269	Rotatable_Bond_Count	1
52948154	XLogP3-AA	4.6
24848232	Exact_Mass	200.11091037
16600	Rotatable_Bond_Count	5
71616	Undefined_Bond_Stereo_Count	0
24745723	Exact_Mass	221.06228316
61253	Hydrogen_Bond_Donor_Count	3
9966051	Mono_Isotopic_Weight	298.15036988
1381	Exact_Mass	408.18886022
44134719	Non-hydrogen_Atom_Count	15
62546	Structure_Complexity	361
11018839	TPSA	35.5
5748361	Rotatable_Bond_Count	9
10113	Isotope_Atom_Count	0
19815249	Defined_Atom_Stereo_Count	0
3671	Structure_Complexity	288
96389	Exact_Mass	145.052763847
146156930	Total_Formal_Charge	0
77286	XLogP3	2.7
5367760	Undefined_Bond_Stereo_Count	0
7209	Hydrogen_Bond_Donor_Count	0
41552	Mono_Isotopic_Weight	204.115029749
53669425	Molecular_Weight	259.20
75842	Rotatable_Bond_Count	5
57751145	Molecular_Weight	99.09
60196267	Rotatable_Bond_Count	1
17586	TPSA	9.2
148763531	Undefined_Bond_Stereo_Count	0
11589590	Isotope_Atom_Count	0
137948991	TPSA	42
30973	Molecular_Weight	305.26
17380	Undefined_Atom_Stereo_Count	2
55008	Rotatable_Bond_Count	26
126961564	Covalent_Unit_Count	1
11674455	Defined_Bond_Stereo_Count	0
656580	Mono_Isotopic_Weight	422.0283709
167980	Rotatable_Bond_Count	7
444266	Rotatable_Bond_Count	2
130957284	Hydrogen_Bond_Acceptor_Count	2
134495	Hydrogen_Bond_Acceptor_Count	4
12231382	Defined_Bond_Stereo_Count	0
164075219	Hydrogen_Bond_Acceptor_Count	0
16217	Defined_Atom_Stereo_Count	0
146367450	Isotope_Atom_Count	0
689784	Hydrogen_Bond_Acceptor_Count	7
124524515	Hydrogen_Bond_Acceptor_Count	11
134693629	Defined_Bond_Stereo_Count	0
44407551	TPSA	151
8559	XLogP3	4
71406	Molecular_Weight	574.8
32307	Hydrogen_Bond_Donor_Count	1
15757501	Hydrogen_Bond_Donor_Count	0
13991585	Defined_Bond_Stereo_Count	1
346327	Defined_Atom_Stereo_Count	0
24117	Tautomer_Count	1
529268	Non-hydrogen_Atom_Count	8
240373	Rotatable_Bond_Count	4
4403	Total_Formal_Charge	0
21604850	TPSA	23.8
64356	Mono_Isotopic_Weight	267.0346565
37610	Covalent_Unit_Count	1
839431	Structure_Complexity	365
3082127	Hydrogen_Bond_Acceptor_Count	4
11128	Non-hydrogen_Atom_Count	17
44126033	TPSA	106
23671691	Isotope_Atom_Count	0
4634922	Covalent_Unit_Count	1
72199539	Hydrogen_Bond_Acceptor_Count	6
102967	TPSA	18.5
55400	XLogP3-AA	8.6
18726540	XLogP3-AA	3.5
89728	Undefined_Atom_Stereo_Count	0
53786	Total_Formal_Charge	0
12984	Covalent_Unit_Count	1
16217634	Molecular_Weight	204.35
27854	Total_Formal_Charge	2
2724505	Undefined_Atom_Stereo_Count	0
533662	TPSA	9.2
94222	TPSA	52.3
7058062	Total_Formal_Charge	0
5977	Non-hydrogen_Atom_Count	8
10110	XLogP3-AA	0.3
98231	Non-hydrogen_Atom_Count	9
82055	Undefined_Bond_Stereo_Count	0
69086581	TPSA	31
542882	Hydrogen_Bond_Donor_Count	0
71333302	Mono_Isotopic_Weight	114.031694049
637	Defined_Bond_Stereo_Count	0
10762413	Hydrogen_Bond_Acceptor_Count	3
21719209	Hydrogen_Bond_Acceptor_Count	3
70413	Tautomer_Count	1
12491241	Defined_Atom_Stereo_Count	0
46871497	XLogP3-AA	0.6
46871657	Covalent_Unit_Count	1
6271	TPSA	37.3
11983869	Covalent_Unit_Count	1
68764493	Covalent_Unit_Count	1
3955344	Rotatable_Bond_Count	1
916113	XLogP3-AA	1.9
3015262	Total_Formal_Charge	0
59392023	Hydrogen_Bond_Acceptor_Count	1
11658353	Non-hydrogen_Atom_Count	12
48973	Rotatable_Bond_Count	6
5983	Isotope_Atom_Count	0
63088	Exact_Mass	325.880439
10892838	Total_Formal_Charge	0
6303	Undefined_Bond_Stereo_Count	0
123631	Rotatable_Bond_Count	8
289539	Non-hydrogen_Atom_Count	8
4394	XLogP3-AA	2.5
16697	Defined_Atom_Stereo_Count	0
55119	Hydrogen_Bond_Acceptor_Count	1
85489	XLogP3-AA	13.9
58679341	Mono_Isotopic_Weight	113.084063974
5464344	Undefined_Atom_Stereo_Count	0
1551	Defined_Atom_Stereo_Count	0
517313	Undefined_Atom_Stereo_Count	0
637563	TPSA	9.2
70962	Structure_Complexity	149
21972128	Undefined_Bond_Stereo_Count	0
8307	Exact_Mass	201.0920418
5777	Covalent_Unit_Count	1
136219151	Rotatable_Bond_Count	4
5365642	Total_Formal_Charge	0
843960	Hydrogen_Bond_Acceptor_Count	3
3356885	Defined_Atom_Stereo_Count	0
15256279	Non-hydrogen_Atom_Count	7
129826870	Mono_Isotopic_Weight	166.135765193
9794485	Rotatable_Bond_Count	3
9877608	Isotope_Atom_Count	0
32322	Tautomer_Count	4
21326740	Hydrogen_Bond_Donor_Count	2
135692718	TPSA	50.7
237859	Covalent_Unit_Count	1
45711	Defined_Atom_Stereo_Count	0
18424867	Mono_Isotopic_Weight	101.022526347
13001614	Defined_Bond_Stereo_Count	0
456255	Exact_Mass	462.07801004
57370827	Tautomer_Count	1
13445117	Rotatable_Bond_Count	1
51763	TPSA	62.4
14343599	Undefined_Atom_Stereo_Count	0
65552	XLogP3-AA	5.2
99474	Undefined_Bond_Stereo_Count	0
3030770	Covalent_Unit_Count	2
123385	Defined_Atom_Stereo_Count	0
72200444	Isotope_Atom_Count	0
13693091	Exact_Mass	112.088815002
23293	Non-hydrogen_Atom_Count	7
140672839	Undefined_Bond_Stereo_Count	0
22274879	Exact_Mass	112.03851076
25137901	Mono_Isotopic_Weight	908.36010511
4955	Undefined_Bond_Stereo_Count	2
3715	Hydrogen_Bond_Donor_Count	1
299882	Rotatable_Bond_Count	0
11953931	Undefined_Atom_Stereo_Count	1
2764874	TPSA	63.4
87410	Rotatable_Bond_Count	8
143440	Isotope_Atom_Count	0
3427828	Non-hydrogen_Atom_Count	19
22239085	Exact_Mass	372.16944839
439587	Undefined_Atom_Stereo_Count	0
25244520	Molecular_Weight	167.03
24759314	Defined_Bond_Stereo_Count	0
5498	Defined_Atom_Stereo_Count	0
10883551	Exact_Mass	100.052429494
420	XLogP3-AA	8.3
9828138	Mono_Isotopic_Weight	522.27635824
54697325	XLogP3-AA	3
13201	Covalent_Unit_Count	1
47519	Structure_Complexity	54
18822	Total_Formal_Charge	0
7530	Undefined_Bond_Stereo_Count	0
88336	Hydrogen_Bond_Donor_Count	1
24180719	Rotatable_Bond_Count	6
68789	Undefined_Atom_Stereo_Count	1
44119602	Undefined_Bond_Stereo_Count	0
219020	Total_Formal_Charge	0
6918412	TPSA	246
313325	Hydrogen_Bond_Donor_Count	7
12266	TPSA	13.1
644131	Covalent_Unit_Count	1
11326715	Total_Formal_Charge	0
12920383	Undefined_Bond_Stereo_Count	0
23170707	Undefined_Atom_Stereo_Count	0
8859	Total_Formal_Charge	0
572565	Mono_Isotopic_Weight	108.043596145
66087	Mono_Isotopic_Weight	108.99862027
57286108	Undefined_Atom_Stereo_Count	0
22812306	Covalent_Unit_Count	1
22542	Covalent_Unit_Count	1
9854489	XLogP3	4.8
56296	Defined_Bond_Stereo_Count	0
24868273	Undefined_Bond_Stereo_Count	0
84647614	Defined_Atom_Stereo_Count	0
314533	Hydrogen_Bond_Donor_Count	2
53956489	XLogP3-AA	0.3
59217416	TPSA	38.9
21613900	Hydrogen_Bond_Acceptor_Count	2
5177	Structure_Complexity	747
13117013	Undefined_Atom_Stereo_Count	0
6438560	Defined_Atom_Stereo_Count	0
20972	Defined_Atom_Stereo_Count	0
135801111	Structure_Complexity	834
73648	Mono_Isotopic_Weight	388.11581759
6975516	Isotope_Atom_Count	0
24479	Structure_Complexity	2.8
64350	Covalent_Unit_Count	2
5259916	Total_Formal_Charge	0
62475	Structure_Complexity	153
9816483	Hydrogen_Bond_Acceptor_Count	3
58044734	Hydrogen_Bond_Acceptor_Count	2
969472	Hydrogen_Bond_Donor_Count	0
12471321	Undefined_Atom_Stereo_Count	2
29909	Defined_Bond_Stereo_Count	0
443933	Isotope_Atom_Count	0
68938028	Rotatable_Bond_Count	8
55286536	Exact_Mass	113.058911855
9960287	Covalent_Unit_Count	2
3083544	Defined_Atom_Stereo_Count	2
3021	Rotatable_Bond_Count	6
96291	Structure_Complexity	86.9
9543216	Hydrogen_Bond_Acceptor_Count	4
24180686	Total_Formal_Charge	0
242605	Total_Formal_Charge	0
80009	Isotope_Atom_Count	0
41022	Defined_Bond_Stereo_Count	0
15158	Hydrogen_Bond_Donor_Count	0
118209675	XLogP3-AA	0.2
129754695	Hydrogen_Bond_Donor_Count	0
121972	Mono_Isotopic_Weight	340.06478
108313	XLogP3-AA	3
21120209	Exact_Mass	222.0587557
90806020	Undefined_Bond_Stereo_Count	0
88855	Hydrogen_Bond_Donor_Count	0
15940949	Exact_Mass	495.27332129
21030991	XLogP3	0.3
9963430	Covalent_Unit_Count	1
56453	Defined_Bond_Stereo_Count	0
62510	Non-hydrogen_Atom_Count	7
691156	Defined_Atom_Stereo_Count	0
3240	Undefined_Bond_Stereo_Count	0
4937	Exact_Mass	229.1094232
13021	Structure_Complexity	84.3
103535	Covalent_Unit_Count	1
441174	Non-hydrogen_Atom_Count	41
135437285	Isotope_Atom_Count	0
111318	Hydrogen_Bond_Donor_Count	0
8364	Covalent_Unit_Count	1
68238	Total_Formal_Charge	0
12856218	TPSA	135
129691409	Undefined_Atom_Stereo_Count	0
4888	TPSA	59.4
68737	Rotatable_Bond_Count	2
70686474	Rotatable_Bond_Count	7
54369	Non-hydrogen_Atom_Count	24
520168	Defined_Bond_Stereo_Count	0
71116366	Mono_Isotopic_Weight	574.17985270
12678417	Rotatable_Bond_Count	1
156963402	Defined_Bond_Stereo_Count	1
9855081	Total_Formal_Charge	0
35805	Defined_Atom_Stereo_Count	2
6419902	Covalent_Unit_Count	3
821629	Rotatable_Bond_Count	2
13618	Rotatable_Bond_Count	0
53484567	Molecular_Weight	114.14
64953	Hydrogen_Bond_Acceptor_Count	9
4093	Molecular_Weight	86.09
11185559	TPSA	56.7
77171	Non-hydrogen_Atom_Count	40
129627537	Structure_Complexity	3150
21484	Hydrogen_Bond_Donor_Count	1
3727	Hydrogen_Bond_Donor_Count	1
157849	Covalent_Unit_Count	1
556836	Non-hydrogen_Atom_Count	7
9470	Hydrogen_Bond_Donor_Count	2
68602320	Total_Formal_Charge	0
33671	Molecular_Weight	251.28
605461	Hydrogen_Bond_Acceptor_Count	2
60196329	Hydrogen_Bond_Acceptor_Count	6
38464	XLogP3-AA	2.3
121397587	Hydrogen_Bond_Acceptor_Count	10
10180	Undefined_Atom_Stereo_Count	0
13856554	XLogP3-AA	0.8
89079153	Hydrogen_Bond_Donor_Count	0
447877	Molecular_Weight	937.8
2967	TPSA	141
14270	Undefined_Atom_Stereo_Count	0
56638112	Defined_Bond_Stereo_Count	0
44590341	Undefined_Bond_Stereo_Count	0
53389	TPSA	20.2
24946802	Isotope_Atom_Count	0
5166299	Defined_Atom_Stereo_Count	0
75252	Defined_Atom_Stereo_Count	0
92463	XLogP3-AA	2.1
6536825	TPSA	121
13795008	Exact_Mass	97.052763847
5329056	Undefined_Bond_Stereo_Count	0
6921705	Undefined_Atom_Stereo_Count	0
4713	Rotatable_Bond_Count	2
117217480	Mono_Isotopic_Weight	114.042927438
20336998	Structure_Complexity	41.4
18290	TPSA	41.6
83797	Tautomer_Count	5
1148	Undefined_Atom_Stereo_Count	1
16219580	Hydrogen_Bond_Acceptor_Count	6
751505	Covalent_Unit_Count	1
73984	Defined_Atom_Stereo_Count	0
55993	Tautomer_Count	1
2896	Structure_Complexity	178
2471	TPSA	127
138673	XLogP3-AA	1.5
141225356	Covalent_Unit_Count	1
76692	Non-hydrogen_Atom_Count	6
10432339	Hydrogen_Bond_Acceptor_Count	6
21903	Defined_Bond_Stereo_Count	0
21313738	Undefined_Atom_Stereo_Count	0
11264	Defined_Atom_Stereo_Count	0
7023411	Structure_Complexity	101
72148	Total_Formal_Charge	0
23021453	TPSA	67.9
10893439	Defined_Bond_Stereo_Count	0
57164232	Exact_Mass	106.041864811
9576912	Rotatable_Bond_Count	5
17846631	Structure_Complexity	240
443151	Undefined_Bond_Stereo_Count	0
80168	Undefined_Atom_Stereo_Count	0
82658	Exact_Mass	140.083729621
36688490	Rotatable_Bond_Count	2
48889	Non-hydrogen_Atom_Count	18
135981362	Structure_Complexity	832
2341	Undefined_Atom_Stereo_Count	1
642785	Exact_Mass	110.036779430
11126361	Covalent_Unit_Count	1
6989253	Structure_Complexity	93.1
7463	Total_Formal_Charge	0
44629601	Isotope_Atom_Count	0
162651	Exact_Mass	79.9377699
73538	TPSA	67.5
30924	Defined_Bond_Stereo_Count	0
11556910	Exact_Mass	391.06251792
98207156	Hydrogen_Bond_Acceptor_Count	11
121492004	Total_Formal_Charge	0
66171	TPSA	17.8
97886	Molecular_Weight	242.31
246571	Exact_Mass	196.146329876
6451148	Hydrogen_Bond_Donor_Count	0
57392165	Defined_Atom_Stereo_Count	0
738952	Total_Formal_Charge	0
12632903	Isotope_Atom_Count	0
65768	Undefined_Bond_Stereo_Count	0
25023847	Covalent_Unit_Count	1
11105	Molecular_Weight	288.77
135413504	TPSA	83.1
8871	Defined_Bond_Stereo_Count	0
135532964	Defined_Bond_Stereo_Count	0
31205	Molecular_Weight	388.7
61753	Hydrogen_Bond_Donor_Count	0
10877079	Structure_Complexity	93.4
2392	Undefined_Bond_Stereo_Count	0
11309	TPSA	0
268488	Total_Formal_Charge	0
135424747	Undefined_Bond_Stereo_Count	0
86233	Total_Formal_Charge	0
974	Rotatable_Bond_Count	1
77259647	Covalent_Unit_Count	1
12644711	Total_Formal_Charge	0
452548	Hydrogen_Bond_Acceptor_Count	14
135566371	Hydrogen_Bond_Acceptor_Count	8
439373	Rotatable_Bond_Count	2
3526	Rotatable_Bond_Count	18
129629321	Total_Formal_Charge	0
87280025	XLogP3-AA	0
129009972	Undefined_Bond_Stereo_Count	0
44456	Structure_Complexity	305
5312830	Hydrogen_Bond_Acceptor_Count	3
7450	Total_Formal_Charge	0
123224323	Non-hydrogen_Atom_Count	7
70682213	Mono_Isotopic_Weight	429.19132300
12088	Isotope_Atom_Count	0
6452300	Mono_Isotopic_Weight	156.847063
71742706	Covalent_Unit_Count	1
159384	Rotatable_Bond_Count	0
6621	Undefined_Atom_Stereo_Count	0
59638	Mono_Isotopic_Weight	309.278012748
49248	Defined_Bond_Stereo_Count	0
652019	Isotope_Atom_Count	0
15202861	Rotatable_Bond_Count	1
10773310	Exact_Mass	163.110947427
15983287	Undefined_Bond_Stereo_Count	0
2734678	Isotope_Atom_Count	0
96135	Isotope_Atom_Count	0
8396	Structure_Complexity	149
135442	XLogP3-AA	2.3
9804219	Non-hydrogen_Atom_Count	32
17753912	Isotope_Atom_Count	0
101630832	Non-hydrogen_Atom_Count	26
656911	Molecular_Weight	247.30
22717649	Total_Formal_Charge	0
20793292	Hydrogen_Bond_Acceptor_Count	1
79123	XLogP3-AA	1.8
3828	Hydrogen_Bond_Donor_Count	0
23681059	Rotatable_Bond_Count	3
8594	Undefined_Atom_Stereo_Count	0
8549	Defined_Atom_Stereo_Count	3
6918474	Mono_Isotopic_Weight	215.0349209
541660	Covalent_Unit_Count	1
442993	Rotatable_Bond_Count	5
49057	Defined_Atom_Stereo_Count	0
24180972	Molecular_Weight	505.3
9546757	Hydrogen_Bond_Acceptor_Count	9
135398579	Defined_Bond_Stereo_Count	0
16426	Hydrogen_Bond_Donor_Count	1
123779724	Defined_Bond_Stereo_Count	0
91585	XLogP3-AA	0.2
43032	Hydrogen_Bond_Acceptor_Count	3
5288173	Exact_Mass	327.256214676
3444	Defined_Bond_Stereo_Count	0
65043	Mono_Isotopic_Weight	263.0283962
6410734	Rotatable_Bond_Count	6
12550332	Exact_Mass	101.047678466
98136	TPSA	12
71887	Hydrogen_Bond_Acceptor_Count	6
20544	TPSA	42.4
49757967	Mono_Isotopic_Weight	112.063662883
138107735	Defined_Bond_Stereo_Count	0
15205080	TPSA	44
15309593	Mono_Isotopic_Weight	216.089877630
132274070	XLogP3-AA	5.6
89976630	Exact_Mass	107.037113783
57396150	Molecular_Weight	462.6
9989218	Structure_Complexity	68.6
38012	XLogP3	6.5
640091	Rotatable_Bond_Count	1
139600236	TPSA	49.7
123804812	TPSA	0
66577038	Rotatable_Bond_Count	9
67112011	Structure_Complexity	471
23505018	Structure_Complexity	61.5
76223462	Rotatable_Bond_Count	2
10534631	Non-hydrogen_Atom_Count	8
3316	Hydrogen_Bond_Acceptor_Count	2
14282994	Rotatable_Bond_Count	2
61743	Defined_Atom_Stereo_Count	0
13327310	XLogP3-AA	0.2
6437379	Rotatable_Bond_Count	6
53712606	Mono_Isotopic_Weight	96.093900383
53302141	Structure_Complexity	84.1
92821	Defined_Bond_Stereo_Count	0
71306415	Covalent_Unit_Count	2
22377554	Non-hydrogen_Atom_Count	8
67236438	Hydrogen_Bond_Donor_Count	3
166585863	Covalent_Unit_Count	1
44472831	Structure_Complexity	382
9936	Undefined_Atom_Stereo_Count	0
75779	Defined_Bond_Stereo_Count	0
88396	Tautomer_Count	2
50990009	Undefined_Bond_Stereo_Count	0
21945	Molecular_Weight	319.36
155713	Undefined_Bond_Stereo_Count	0
58562	Undefined_Bond_Stereo_Count	0
11212667	Undefined_Atom_Stereo_Count	0
69949	Non-hydrogen_Atom_Count	8
633091	Total_Formal_Charge	0
163201191	TPSA	21.6
5282198	Total_Formal_Charge	0
6337	TPSA	0
479503	TPSA	94.8
11051611	Covalent_Unit_Count	1
82935	Mono_Isotopic_Weight	93.94853
299882	Hydrogen_Bond_Acceptor_Count	0
9956726	Hydrogen_Bond_Acceptor_Count	9
7296	Covalent_Unit_Count	1
591	Hydrogen_Bond_Acceptor_Count	22
71612	Undefined_Atom_Stereo_Count	1
77332	Rotatable_Bond_Count	5
87748	Undefined_Atom_Stereo_Count	0
10008	Structure_Complexity	46.1
93558	Non-hydrogen_Atom_Count	17
22594387	Isotope_Atom_Count	0
82461	Non-hydrogen_Atom_Count	14
14798	Undefined_Bond_Stereo_Count	0
72070	Undefined_Bond_Stereo_Count	0
56857	Defined_Atom_Stereo_Count	0
11987858	Undefined_Atom_Stereo_Count	0
11267	Covalent_Unit_Count	1
1638753	Molecular_Weight	180.23
75881	Rotatable_Bond_Count	6
148140	Exact_Mass	161.084063974
6179	Non-hydrogen_Atom_Count	10
62484	Covalent_Unit_Count	1
73219	Total_Formal_Charge	0
53465849	Rotatable_Bond_Count	6
194622	Hydrogen_Bond_Acceptor_Count	5
439501	Exact_Mass	584.28327683
12581	Covalent_Unit_Count	1
88703	Defined_Bond_Stereo_Count	0
12676	Mono_Isotopic_Weight	191.93976
9830317	Tautomer_Count	1
129831062	Covalent_Unit_Count	1
90695524	TPSA	0
5147	Total_Formal_Charge	0
6227	Total_Formal_Charge	0
23622607	Defined_Atom_Stereo_Count	10
56928060	Isotope_Atom_Count	0
60196348	Structure_Complexity	1010
124202907	Undefined_Bond_Stereo_Count	0
6994977	Hydrogen_Bond_Donor_Count	3
58143010	TPSA	43.4
11470068	Defined_Bond_Stereo_Count	0
1261	Defined_Atom_Stereo_Count	0
721947	Molecular_Weight	333.71
289847	TPSA	63.8
72199381	Structure_Complexity	558
5281071	Rotatable_Bond_Count	5
142243302	Isotope_Atom_Count	0
115080007	Structure_Complexity	78.4
56120	Exact_Mass	292.0017622
908	Undefined_Bond_Stereo_Count	0
12452686	Defined_Atom_Stereo_Count	0
443997	Rotatable_Bond_Count	4
135565623	Structure_Complexity	3330
16129685	Tautomer_Count	1000
6918606	Isotope_Atom_Count	0
135512673	Hydrogen_Bond_Acceptor_Count	15
73330464	Non-hydrogen_Atom_Count	18
5392139	TPSA	63.6
537055	XLogP3-AA	14.3
134735	Undefined_Atom_Stereo_Count	0
434207	XLogP3-AA	3.4
3826	Rotatable_Bond_Count	3
704316	Undefined_Bond_Stereo_Count	1
122172945	TPSA	279
102249560	Hydrogen_Bond_Donor_Count	3
20689	Undefined_Bond_Stereo_Count	0
17754066	Isotope_Atom_Count	0
54698175	Structure_Complexity	915
10898703	Non-hydrogen_Atom_Count	7
55011	Covalent_Unit_Count	1
53466061	Structure_Complexity	650
13715986	Total_Formal_Charge	0
102678	Total_Formal_Charge	0
26462	Defined_Bond_Stereo_Count	0
16058637	Isotope_Atom_Count	0
18329111	XLogP3-AA	3.8
10686	XLogP3	3.6
148184	Hydrogen_Bond_Acceptor_Count	3
63985	Total_Formal_Charge	0
160554	Total_Formal_Charge	0
6919629	Defined_Bond_Stereo_Count	0
98559	Exact_Mass	282.18444672
11684	Hydrogen_Bond_Acceptor_Count	2
87963836	Structure_Complexity	113
4868	Isotope_Atom_Count	0
20090062	TPSA	40.5
69132	Defined_Atom_Stereo_Count	0
18469536	Hydrogen_Bond_Acceptor_Count	9
3826	Hydrogen_Bond_Acceptor_Count	3
133679779	Total_Formal_Charge	0
138672	Non-hydrogen_Atom_Count	7
5288700	TPSA	174
53805787	Undefined_Bond_Stereo_Count	0
5353584	Undefined_Atom_Stereo_Count	7
449015	Isotope_Atom_Count	0
16692	Molecular_Weight	403.7
6537502	TPSA	455
129827902	TPSA	609
6343	Rotatable_Bond_Count	0
21028424	Defined_Atom_Stereo_Count	0
15424	Isotope_Atom_Count	0
57397290	Non-hydrogen_Atom_Count	36
10471931	Undefined_Bond_Stereo_Count	0
138540	Hydrogen_Bond_Donor_Count	1
4672596	Undefined_Bond_Stereo_Count	0
57057991	TPSA	43.4
1960	Undefined_Bond_Stereo_Count	0
70211	Hydrogen_Bond_Donor_Count	0
101606430	XLogP3-AA	7.3
12814867	Hydrogen_Bond_Donor_Count	1
101248703	Hydrogen_Bond_Donor_Count	3
2230	Structure_Complexity	187
153807932	Defined_Bond_Stereo_Count	0
55284046	Structure_Complexity	55.7
24426	Tautomer_Count	1
134693050	TPSA	272
53395363	Rotatable_Bond_Count	3
25380	Defined_Bond_Stereo_Count	0
62512	XLogP3-AA	9.7
2898877	Isotope_Atom_Count	0
67056782	Hydrogen_Bond_Donor_Count	0
15144	Rotatable_Bond_Count	2
71401	Isotope_Atom_Count	0
87147109	Isotope_Atom_Count	0
5560	Defined_Bond_Stereo_Count	0
53921772	Rotatable_Bond_Count	1
177739	Undefined_Atom_Stereo_Count	0
5003059	Covalent_Unit_Count	1
35676	Undefined_Bond_Stereo_Count	0
6806	Total_Formal_Charge	0
519	Molecular_Weight	258.12
76720	Tautomer_Count	1
33722	Non-hydrogen_Atom_Count	7
25750	TPSA	65.1
9934033	Mono_Isotopic_Weight	425.20271676
115355	Covalent_Unit_Count	1
62662	Isotope_Atom_Count	0
520277	Covalent_Unit_Count	1
38642	Hydrogen_Bond_Donor_Count	0
118248246	Covalent_Unit_Count	1
505711	Defined_Bond_Stereo_Count	0
89390	Hydrogen_Bond_Donor_Count	2
32266	Rotatable_Bond_Count	4
89708952	Non-hydrogen_Atom_Count	8
657073	Undefined_Atom_Stereo_Count	0
9115	Undefined_Atom_Stereo_Count	0
6435893	XLogP3-AA	7.5
4329	Mono_Isotopic_Weight	638.21838516
3653077	Structure_Complexity	432
12423177	Hydrogen_Bond_Acceptor_Count	2
44629600	XLogP3-AA	4.5
90475112	Exact_Mass	406.1811912
6437352	Hydrogen_Bond_Acceptor_Count	5
10161305	Hydrogen_Bond_Donor_Count	2
91596	Tautomer_Count	2
156594090	Total_Formal_Charge	0
72200848	XLogP3-AA	5.6
21271257	Covalent_Unit_Count	1
3009355	Undefined_Bond_Stereo_Count	0
125462886	Rotatable_Bond_Count	12
9120	TPSA	0
642799	Mono_Isotopic_Weight	170.96836
24780	Exact_Mass	500.30708103
1292	Structure_Complexity	138
122623	Total_Formal_Charge	0
5365552	XLogP3-AA	2.4
12309465	Structure_Complexity	470
68156	Mono_Isotopic_Weight	70.053098200
657308	Defined_Atom_Stereo_Count	2
144826028	Non-hydrogen_Atom_Count	8
23716436	Undefined_Bond_Stereo_Count	0
657308	Rotatable_Bond_Count	6
636367	Molecular_Weight	193.15
8027	Undefined_Atom_Stereo_Count	0
23724526	Exact_Mass	383.10961
52230	Non-hydrogen_Atom_Count	21
2733526	Structure_Complexity	463
6327114	Molecular_Weight	109.04
67054	Undefined_Atom_Stereo_Count	0
107775	Defined_Atom_Stereo_Count	3
268370	Hydrogen_Bond_Acceptor_Count	6
316724	Isotope_Atom_Count	0
4526530	Total_Formal_Charge	0
12340	Tautomer_Count	1
711239	XLogP3-AA	3.2
19406	TPSA	72.8
58096	Tautomer_Count	2
132584645	TPSA	43.4
60196325	Rotatable_Bond_Count	4
17036	Mono_Isotopic_Weight	327.18344366
54429687	Hydrogen_Bond_Acceptor_Count	3
10654192	Isotope_Atom_Count	0
168379	Rotatable_Bond_Count	6
6440900	TPSA	66.8
23667629	Hydrogen_Bond_Donor_Count	1
6992101	TPSA	67.8
269	Isotope_Atom_Count	0
7500	TPSA	0
53315137	Hydrogen_Bond_Acceptor_Count	8
5389	Rotatable_Bond_Count	8
53434235	Exact_Mass	93.057849228
14106	Isotope_Atom_Count	0
79192	TPSA	20.2
5484366	Rotatable_Bond_Count	2
60594	Covalent_Unit_Count	1
35970	Undefined_Atom_Stereo_Count	0
2176	Isotope_Atom_Count	0
12255652	Hydrogen_Bond_Donor_Count	2
67241466	Non-hydrogen_Atom_Count	26
162265	Mono_Isotopic_Weight	151.099714038
72734520	Non-hydrogen_Atom_Count	36
3863	Rotatable_Bond_Count	6
5311032	Rotatable_Bond_Count	14
20767631	Defined_Atom_Stereo_Count	0
90725416	Structure_Complexity	1830
11474	Total_Formal_Charge	0
613589	Tautomer_Count	1
92268	Covalent_Unit_Count	1
332389	Total_Formal_Charge	0
82313	Covalent_Unit_Count	1
22352992	Non-hydrogen_Atom_Count	8
523523	Mono_Isotopic_Weight	96.093900383
81981	Total_Formal_Charge	0
21519587	Undefined_Bond_Stereo_Count	0
643835	Hydrogen_Bond_Donor_Count	0
123966192	Defined_Atom_Stereo_Count	0
16211283	Exact_Mass	396.1815851
162569	Hydrogen_Bond_Acceptor_Count	6
62731702	Exact_Mass	112.063662883
26690	Exact_Mass	199.193614421
6604087	Defined_Atom_Stereo_Count	3
38382	Defined_Atom_Stereo_Count	0
20323899	Covalent_Unit_Count	1
13908	Non-hydrogen_Atom_Count	15
685814	XLogP3-AA	1.6
42802	Defined_Atom_Stereo_Count	0
5342002	Hydrogen_Bond_Donor_Count	0
851045	XLogP3-AA	0.5
28207	Rotatable_Bond_Count	3
31390	Defined_Atom_Stereo_Count	0
5326161	Undefined_Bond_Stereo_Count	0
51025660	Defined_Bond_Stereo_Count	0
2943	Structure_Complexity	290
129628421	Rotatable_Bond_Count	16
393037	Defined_Bond_Stereo_Count	0
101175466	Total_Formal_Charge	2
97754	Undefined_Atom_Stereo_Count	1
11488817	XLogP3-AA	2.7
6145	Isotope_Atom_Count	0
133109022	Molecular_Weight	505.7
13559281	XLogP3-AA	2.9
53322797	Structure_Complexity	650
12059	XLogP3	2.7
26710	Structure_Complexity	54.3
18923030	Total_Formal_Charge	0
25154714	TPSA	175
5284656	Hydrogen_Bond_Acceptor_Count	2
70846	Isotope_Atom_Count	0
7652	Molecular_Weight	238.28
121710	Defined_Bond_Stereo_Count	0
248333	Structure_Complexity	158
12933420	Rotatable_Bond_Count	0
69491	Isotope_Atom_Count	0
65057	Defined_Bond_Stereo_Count	0
59966628	Exact_Mass	416.32904526
3009	Exact_Mass	182.08668395
64765	Tautomer_Count	1
65874	Tautomer_Count	5
84647611	Hydrogen_Bond_Donor_Count	1
5284566	Hydrogen_Bond_Donor_Count	1
22134406	Mono_Isotopic_Weight	113.047678466
51030896	Defined_Atom_Stereo_Count	1
524655	Total_Formal_Charge	0
17142	Mono_Isotopic_Weight	297.09608521
163957061	Structure_Complexity	40.7
147983909	Hydrogen_Bond_Acceptor_Count	2
8110	Undefined_Bond_Stereo_Count	0
51358375	Isotope_Atom_Count	0
738658	Non-hydrogen_Atom_Count	17
129829002	Structure_Complexity	212
550815	Hydrogen_Bond_Donor_Count	2
272625	Defined_Atom_Stereo_Count	0
1211	Defined_Bond_Stereo_Count	0
72200166	Rotatable_Bond_Count	12
11517780	Non-hydrogen_Atom_Count	29
3015262	Exact_Mass	116.083729621
588963	Non-hydrogen_Atom_Count	20
137117239	Molecular_Weight	835.0
6005	Tautomer_Count	171
66753191	Undefined_Bond_Stereo_Count	1
80428	Total_Formal_Charge	0
49248	Total_Formal_Charge	0
5321948	Non-hydrogen_Atom_Count	20
70724	Hydrogen_Bond_Donor_Count	0
9562059	Hydrogen_Bond_Donor_Count	8
13138140	Hydrogen_Bond_Acceptor_Count	14
19424352	Undefined_Bond_Stereo_Count	0
414	Total_Formal_Charge	0
8757	Defined_Bond_Stereo_Count	0
135409642	XLogP3-AA	4.9
12251	Undefined_Bond_Stereo_Count	0
1173	TPSA	66.8
15707	Undefined_Atom_Stereo_Count	1
54340209	Covalent_Unit_Count	1
2735071	Rotatable_Bond_Count	12
6604365	XLogP3	2.6
62731702	Rotatable_Bond_Count	1
47552	Hydrogen_Bond_Donor_Count	0
53493353	Rotatable_Bond_Count	1
70267665	Exact_Mass	98.048012819
208947	Mono_Isotopic_Weight	293.152812238
8172	Exact_Mass	150.08920892
54567	Exact_Mass	305.189197746
25013898	Undefined_Atom_Stereo_Count	3
229075	Mono_Isotopic_Weight	110.059246208
442793	Structure_Complexity	293
124037382	Covalent_Unit_Count	1
694358	Mono_Isotopic_Weight	320.0208685
22398442	Structure_Complexity	161
250	Covalent_Unit_Count	1
67978393	Isotope_Atom_Count	0
80349	Rotatable_Bond_Count	2
82418980	Molecular_Weight	112.09
34327	Undefined_Atom_Stereo_Count	0
162404783	Total_Formal_Charge	0
53907192	Hydrogen_Bond_Acceptor_Count	3
88928	Defined_Bond_Stereo_Count	0
1422	Non-hydrogen_Atom_Count	27
11346	Structure_Complexity	197
6474109	Molecular_Weight	1422.7
2795425	Rotatable_Bond_Count	0
445639	Defined_Atom_Stereo_Count	0
56991659	Non-hydrogen_Atom_Count	8
57394836	Undefined_Bond_Stereo_Count	0
160138	Undefined_Bond_Stereo_Count	0
26369821	Covalent_Unit_Count	1
82148	Hydrogen_Bond_Acceptor_Count	2
491941	TPSA	143
14069104	Structure_Complexity	148
99681	Tautomer_Count	5
3074943	Structure_Complexity	282
611945	Hydrogen_Bond_Donor_Count	0
135436520	Defined_Atom_Stereo_Count	0
53765090	Total_Formal_Charge	0
11982778	Exact_Mass	1348.58318267
3050432	Hydrogen_Bond_Acceptor_Count	2
16133899	Exact_Mass	6093.0853594
123954185	TPSA	3
5589	Undefined_Atom_Stereo_Count	9
155903767	Hydrogen_Bond_Donor_Count	5
24848343	Rotatable_Bond_Count	2
101010	Defined_Atom_Stereo_Count	0
46244259	Hydrogen_Bond_Acceptor_Count	7
81831	Defined_Bond_Stereo_Count	0
13346	Hydrogen_Bond_Acceptor_Count	5
56663313	Hydrogen_Bond_Acceptor_Count	8
19604021	Mono_Isotopic_Weight	98.084398327
85891258	Exact_Mass	113.120449483
570603	Molecular_Weight	106.13
37924	Mono_Isotopic_Weight	251.9744848
59791	TPSA	80.6
131003005	Mono_Isotopic_Weight	112.088815002
66073187	Isotope_Atom_Count	0
521324	Mono_Isotopic_Weight	101.084063974
11205	Exact_Mass	331.66925
148429079	Hydrogen_Bond_Donor_Count	0
124605129	Covalent_Unit_Count	1
12452686	Hydrogen_Bond_Acceptor_Count	2
23696523	Defined_Atom_Stereo_Count	0
6195	Tautomer_Count	1
24949398	Hydrogen_Bond_Donor_Count	3
10499446	Covalent_Unit_Count	1
115817	Molecular_Weight	413.3
11063784	Mono_Isotopic_Weight	214.08412354
8659	TPSA	55
6450806	Hydrogen_Bond_Donor_Count	0
11784975	Tautomer_Count	2
5720	Exact_Mass	298.06636548
46209194	TPSA	47.1
54307258	Non-hydrogen_Atom_Count	7
10947574	Hydrogen_Bond_Donor_Count	3
68741938	Exact_Mass	559.31341002
10953434	Structure_Complexity	76.1
3924	Non-hydrogen_Atom_Count	17
10855384	TPSA	26
71371762	Isotope_Atom_Count	0
18506387	Defined_Bond_Stereo_Count	0
131674979	Non-hydrogen_Atom_Count	59
10444413	XLogP3	3.2
67950444	Covalent_Unit_Count	1
57548589	Total_Formal_Charge	0
12146767	Hydrogen_Bond_Acceptor_Count	1
148931546	Total_Formal_Charge	0
855423	Hydrogen_Bond_Donor_Count	1
173994	Hydrogen_Bond_Donor_Count	0
23690444	Hydrogen_Bond_Acceptor_Count	3
164695	Defined_Bond_Stereo_Count	0
71456042	Undefined_Atom_Stereo_Count	0
336423	Defined_Atom_Stereo_Count	0
11283	Undefined_Atom_Stereo_Count	0
67493918	Exact_Mass	112.03851076
162071	Isotope_Atom_Count	0
43432	Defined_Bond_Stereo_Count	0
53983207	Hydrogen_Bond_Acceptor_Count	1
3922	Structure_Complexity	591
58233	Undefined_Atom_Stereo_Count	2
71455486	Undefined_Atom_Stereo_Count	0
8998	Hydrogen_Bond_Acceptor_Count	4
11789150	Exact_Mass	109.052763847
153305234	Defined_Bond_Stereo_Count	0
42963	Isotope_Atom_Count	0
5473310	Defined_Atom_Stereo_Count	0
11870469	Mono_Isotopic_Weight	304.15488318
18779032	Undefined_Atom_Stereo_Count	0
3033953	Defined_Bond_Stereo_Count	0
3246	Rotatable_Bond_Count	0
443869	TPSA	114
9853583	Mono_Isotopic_Weight	756.35567118
3560	Hydrogen_Bond_Acceptor_Count	9
53867497	Structure_Complexity	99.7
167725	Rotatable_Bond_Count	0
19935256	Isotope_Atom_Count	0
178795	Hydrogen_Bond_Acceptor_Count	6
22311	Hydrogen_Bond_Donor_Count	0
12442892	Mono_Isotopic_Weight	534.22651085
53909396	Mono_Isotopic_Weight	88.052429494
565900	Tautomer_Count	3
138264	Defined_Atom_Stereo_Count	0
445	TPSA	32.3
172296	XLogP3-AA	4.8
4277439	Defined_Bond_Stereo_Count	0
48432	Undefined_Atom_Stereo_Count	0
8855	Mono_Isotopic_Weight	106.0185425
3243871	Exact_Mass	366.0771200
21585658	Undefined_Bond_Stereo_Count	0
265	Mono_Isotopic_Weight	837.15707506
100925187	Isotope_Atom_Count	0
71584165	Exact_Mass	359.13036271
79964	Covalent_Unit_Count	1
71300746	TPSA	121
12622744	Hydrogen_Bond_Donor_Count	0
152932	Undefined_Bond_Stereo_Count	0
16051921	Undefined_Bond_Stereo_Count	0
3035235	Mono_Isotopic_Weight	341.18383758
571982	Molecular_Weight	476.13
12708177	Covalent_Unit_Count	1
62209	Non-hydrogen_Atom_Count	18
17461	Undefined_Atom_Stereo_Count	0
83095	Tautomer_Count	2
2971	Mono_Isotopic_Weight	322.21440943
65110	Hydrogen_Bond_Acceptor_Count	10
171558	Hydrogen_Bond_Acceptor_Count	12
3716971	Exact_Mass	88.98748351
49288	Undefined_Atom_Stereo_Count	1
4165	Hydrogen_Bond_Acceptor_Count	5
154914	Molecular_Weight	363.25
92131818	Hydrogen_Bond_Donor_Count	1
129864127	Undefined_Bond_Stereo_Count	0
135419182	Molecular_Weight	538.22
102891	Isotope_Atom_Count	0
25273227	Isotope_Atom_Count	0
58550573	Rotatable_Bond_Count	0
9841972	Structure_Complexity	401
3933	Undefined_Bond_Stereo_Count	0
57401683	Covalent_Unit_Count	1
175	TPSA	40.1
28754	Non-hydrogen_Atom_Count	31
7963	Structure_Complexity	46.1
23725051	Hydrogen_Bond_Acceptor_Count	2
54602908	Mono_Isotopic_Weight	426.139632
129853561	Covalent_Unit_Count	2
9929785	TPSA	78.4
9841596	Isotope_Atom_Count	0
68137	Structure_Complexity	202
61953	Covalent_Unit_Count	1
1807	Mono_Isotopic_Weight	210.94802
7172	Undefined_Atom_Stereo_Count	1
70241	Structure_Complexity	316
9855455	Hydrogen_Bond_Acceptor_Count	2
5289501	Covalent_Unit_Count	1
90903483	Undefined_Bond_Stereo_Count	0
74839	Structure_Complexity	234
24385	Defined_Atom_Stereo_Count	0
23663973	Molecular_Weight	255.23
24643	Undefined_Atom_Stereo_Count	0
214339	Rotatable_Bond_Count	2
138059664	Isotope_Atom_Count	0
9786	Structure_Complexity	240
99132	Undefined_Bond_Stereo_Count	0
4714	Undefined_Bond_Stereo_Count	2
16683012	Molecular_Weight	908.89
48080	Defined_Bond_Stereo_Count	0
91358778	Hydrogen_Bond_Acceptor_Count	0
124040753	Hydrogen_Bond_Acceptor_Count	6
10034991	Total_Formal_Charge	0
54394679	Exact_Mass	108.043596145
18656	Total_Formal_Charge	0
15673	Hydrogen_Bond_Donor_Count	0
18160	Hydrogen_Bond_Donor_Count	0
35922	Mono_Isotopic_Weight	301.14780704
185460	Defined_Bond_Stereo_Count	0
90658468	TPSA	72.8
10379	Mono_Isotopic_Weight	199.063328530
5354133	Undefined_Bond_Stereo_Count	0
24510	Covalent_Unit_Count	1
20678	Rotatable_Bond_Count	1
9294	Exact_Mass	165.115364102
11673921	Covalent_Unit_Count	1
13601	Rotatable_Bond_Count	0
41211	Undefined_Bond_Stereo_Count	0
96873	Rotatable_Bond_Count	4
54046	XLogP3-AA	2.8
12263	Hydrogen_Bond_Acceptor_Count	2
12755803	Rotatable_Bond_Count	3
19375004	Total_Formal_Charge	0
11650986	Mono_Isotopic_Weight	1007.56062088
2950966	Hydrogen_Bond_Acceptor_Count	3
122389028	Undefined_Bond_Stereo_Count	0
3058737	Non-hydrogen_Atom_Count	39
12259683	Mono_Isotopic_Weight	403.23587315
21917310	Undefined_Bond_Stereo_Count	0
17792660	Mono_Isotopic_Weight	217.121512110
8978	Hydrogen_Bond_Donor_Count	0
8344	Exact_Mass	282.11033829
129194081	Total_Formal_Charge	0
535022	Defined_Atom_Stereo_Count	0
9984441	Exact_Mass	529.21726296
959571	Hydrogen_Bond_Acceptor_Count	5
66700172	Mono_Isotopic_Weight	116.083729621
8018	Total_Formal_Charge	0
129627867	Undefined_Atom_Stereo_Count	0
8878	Total_Formal_Charge	0
5353495	Rotatable_Bond_Count	10
80511	Defined_Atom_Stereo_Count	0
54493	Undefined_Bond_Stereo_Count	0
54258707	Rotatable_Bond_Count	2
14233	Rotatable_Bond_Count	1
12596780	Molecular_Weight	78.07
9837243	Tautomer_Count	6
11953153	Molecular_Weight	489.4
124021	Covalent_Unit_Count	1
93171	Hydrogen_Bond_Acceptor_Count	0
81237	Undefined_Atom_Stereo_Count	0
3440	Mono_Isotopic_Weight	330.0077203
55284153	Molecular_Weight	112.13
69833	TPSA	20.2
24871512	Rotatable_Bond_Count	3
70687384	Undefined_Bond_Stereo_Count	0
154825540	Hydrogen_Bond_Donor_Count	3
71361084	Exact_Mass	114.02294089
6519	Total_Formal_Charge	0
70692775	Total_Formal_Charge	0
5365125	XLogP3-AA	6.5
92965	Non-hydrogen_Atom_Count	19
22643208	Exact_Mass	456.1265505
94335	Undefined_Atom_Stereo_Count	1
19001504	Undefined_Atom_Stereo_Count	0
2752648	Rotatable_Bond_Count	1
6335499	Molecular_Weight	85.911167
5311023	Molecular_Weight	473.6
24848261	Molecular_Weight	413.9
5360621	Tautomer_Count	2
21702822	Hydrogen_Bond_Acceptor_Count	1
136121	Non-hydrogen_Atom_Count	6
12576852	Covalent_Unit_Count	1
15062870	Molecular_Weight	112.13
8020	Defined_Bond_Stereo_Count	0
1512518	Tautomer_Count	1
160508452	Defined_Bond_Stereo_Count	0
129629061	Hydrogen_Bond_Donor_Count	0
24892775	Defined_Atom_Stereo_Count	6
9971	Covalent_Unit_Count	1
38316	Molecular_Weight	191.23
68030	Undefined_Atom_Stereo_Count	0
12223113	TPSA	0
136458760	Covalent_Unit_Count	1
13041095	Structure_Complexity	463
5362391	Undefined_Bond_Stereo_Count	0
73648	Structure_Complexity	565
66711	Mono_Isotopic_Weight	238.134422523
10276115	Rotatable_Bond_Count	8
3118	Total_Formal_Charge	0
69503325	Exact_Mass	534.25185757
565082	TPSA	40.5
11617559	Covalent_Unit_Count	1
71430	Tautomer_Count	1
297777	Mono_Isotopic_Weight	413.18383758
4676	Molecular_Weight	339.4
5935	Molecular_Weight	192.5
91323352	Exact_Mass	453.04129018
399594	TPSA	54.3
88406	Mono_Isotopic_Weight	144.078644241
17104	Covalent_Unit_Count	1
67548	Rotatable_Bond_Count	10
443158	Molecular_Weight	154.25
8711	Covalent_Unit_Count	1
6659	Structure_Complexity	97.9
20307232	Structure_Complexity	186
284	Tautomer_Count	1
220820	Defined_Atom_Stereo_Count	0
22034820	Mono_Isotopic_Weight	111.032028402
6323236	Exact_Mass	582.24783482
64017	Defined_Atom_Stereo_Count	0
18335911	Structure_Complexity	109
25015	Defined_Atom_Stereo_Count	4
43215	Isotope_Atom_Count	0
101630689	Undefined_Atom_Stereo_Count	0
9865233	Isotope_Atom_Count	0
91981561	Hydrogen_Bond_Acceptor_Count	5
3336	Exact_Mass	315.198699802
35876	Rotatable_Bond_Count	2
46848036	Undefined_Atom_Stereo_Count	0
10358218	Hydrogen_Bond_Donor_Count	3
91017818	Undefined_Bond_Stereo_Count	0
17458	Mono_Isotopic_Weight	386.08175801
24358	Hydrogen_Bond_Donor_Count	0
7774	Non-hydrogen_Atom_Count	16
9964065	Total_Formal_Charge	0
105426925	TPSA	23.8
57228285	Mono_Isotopic_Weight	114.00654193
20689	Exact_Mass	190.12656044
98468	Tautomer_Count	1
28467	TPSA	86.8
13795047	Isotope_Atom_Count	0
72142	Isotope_Atom_Count	0
70262	XLogP3-AA	1.3
77663	Defined_Bond_Stereo_Count	0
72571	TPSA	117
520744	Defined_Atom_Stereo_Count	0
9413	Isotope_Atom_Count	0
81885	Isotope_Atom_Count	0
53494972	Isotope_Atom_Count	0
45266912	XLogP3-AA	6.9
10997868	Defined_Atom_Stereo_Count	0
135422442	Total_Formal_Charge	0
53569	Hydrogen_Bond_Donor_Count	2
10945834	Mono_Isotopic_Weight	280.13107373
1650	Undefined_Atom_Stereo_Count	3
4631	Covalent_Unit_Count	1
71555	Total_Formal_Charge	0
11954389	Structure_Complexity	899
68052608	Rotatable_Bond_Count	0
68510675	Hydrogen_Bond_Acceptor_Count	6
14919824	Exact_Mass	114.068079557
46902102	Covalent_Unit_Count	2
11908489	Mono_Isotopic_Weight	342.11621151
33944	Rotatable_Bond_Count	2
79425	Tautomer_Count	1
54060	Hydrogen_Bond_Donor_Count	0
64303	Hydrogen_Bond_Acceptor_Count	3
13379958	Hydrogen_Bond_Acceptor_Count	1
11671	Isotope_Atom_Count	0
430795	TPSA	13
7762	Undefined_Bond_Stereo_Count	0
122669	Isotope_Atom_Count	0
446925	Exact_Mass	536.438201786
1761	Hydrogen_Bond_Acceptor_Count	8
54235966	Structure_Complexity	107
49853967	Mono_Isotopic_Weight	392.08644947
199402	Non-hydrogen_Atom_Count	85
124933	Undefined_Atom_Stereo_Count	1
69332506	Rotatable_Bond_Count	0
13810	Covalent_Unit_Count	2
92897	Molecular_Weight	414.4
5364495	Undefined_Atom_Stereo_Count	0
19161	Defined_Atom_Stereo_Count	0
17864	XLogP3-AA	1
519186	Isotope_Atom_Count	0
14415253	Undefined_Bond_Stereo_Count	0
84487	Rotatable_Bond_Count	12
156598427	Defined_Atom_Stereo_Count	0
3489	XLogP3	2.5
6857536	Undefined_Bond_Stereo_Count	0
10597	Defined_Atom_Stereo_Count	0
19089031	Structure_Complexity	41.4
11192129	Total_Formal_Charge	0
53316418	Exact_Mass	384.99109039
44226825	Structure_Complexity	418
12706145	Mono_Isotopic_Weight	112.088815002
71462102	TPSA	62.2
3109	Tautomer_Count	1
8377	Undefined_Bond_Stereo_Count	0
53694406	Non-hydrogen_Atom_Count	7
83803459	XLogP3-AA	0
3000450	Undefined_Bond_Stereo_Count	0
119205	Molecular_Weight	358.4
13751	Mono_Isotopic_Weight	254.178298710
88100859	Isotope_Atom_Count	0
7120	Hydrogen_Bond_Donor_Count	1
5284631	Rotatable_Bond_Count	5
50295	Hydrogen_Bond_Donor_Count	0
7567598	Non-hydrogen_Atom_Count	7
96302	Hydrogen_Bond_Donor_Count	0
11001318	Tautomer_Count	1
11263488	TPSA	32.3
13253262	TPSA	29.6
5489948	Hydrogen_Bond_Acceptor_Count	13
88481084	XLogP3-AA	5.1
24352	Non-hydrogen_Atom_Count	24
9420	Defined_Bond_Stereo_Count	0
123612613	Total_Formal_Charge	0
145003683	Non-hydrogen_Atom_Count	8
101316975	Defined_Bond_Stereo_Count	0
556035	Defined_Atom_Stereo_Count	0
441071	Tautomer_Count	2
1815	Covalent_Unit_Count	1
61098	Mono_Isotopic_Weight	210.161979940
95864	Defined_Atom_Stereo_Count	0
19675	Non-hydrogen_Atom_Count	29
76583	Tautomer_Count	1
6950353	Covalent_Unit_Count	1
69602	Non-hydrogen_Atom_Count	11
551630	Exact_Mass	207.125928785
44392148	Undefined_Atom_Stereo_Count	0
72941955	Total_Formal_Charge	0
5746249	Rotatable_Bond_Count	5
136502787	Defined_Bond_Stereo_Count	0
20931	Mono_Isotopic_Weight	118.099379685
43598	Non-hydrogen_Atom_Count	15
87532	Hydrogen_Bond_Donor_Count	0
2393	Hydrogen_Bond_Donor_Count	10
15093812	Covalent_Unit_Count	1
96396	Undefined_Atom_Stereo_Count	0
6100711	Covalent_Unit_Count	2
65456803	Molecular_Weight	100.16
68583	Non-hydrogen_Atom_Count	36
20309174	Total_Formal_Charge	0
18687754	Defined_Bond_Stereo_Count	0
53665	Exact_Mass	215.914777
69275	Isotope_Atom_Count	0
398516	Exact_Mass	380.13069707
102135084	Isotope_Atom_Count	0
10250607	Defined_Bond_Stereo_Count	0
40466884	Defined_Bond_Stereo_Count	0
12570	Undefined_Atom_Stereo_Count	0
20494989	Rotatable_Bond_Count	0
22851718	Hydrogen_Bond_Donor_Count	1
17820196	Undefined_Atom_Stereo_Count	1
45120354	Undefined_Atom_Stereo_Count	2
92028754	Mono_Isotopic_Weight	69.9665510
90472752	Tautomer_Count	1
135005	Tautomer_Count	1
50895	Non-hydrogen_Atom_Count	24
91133104	Defined_Atom_Stereo_Count	0
9801597	Covalent_Unit_Count	1
123332	Covalent_Unit_Count	1
5319754	Rotatable_Bond_Count	2
32698	Rotatable_Bond_Count	4
71454296	Molecular_Weight	522.3
11170949	XLogP3-AA	0.1
6498	Rotatable_Bond_Count	0
11045	XLogP3-AA	0.2
7093	Total_Formal_Charge	0
44338967	Defined_Atom_Stereo_Count	0
6999941	XLogP3-AA	2.2
609	Molecular_Weight	259.15
755686	Structure_Complexity	329
22728753	Undefined_Bond_Stereo_Count	0
16976	Mono_Isotopic_Weight	139.026943022
57750420	Covalent_Unit_Count	1
11073371	Exact_Mass	110.073164938
69591	Hydrogen_Bond_Donor_Count	1
525065	XLogP3-AA	3.1
219101	Covalent_Unit_Count	1
135499741	Tautomer_Count	5
84614	Molecular_Weight	269.29
52987646	Rotatable_Bond_Count	17
11405875	Hydrogen_Bond_Donor_Count	1
55399	Molecular_Weight	622.8
68944676	Defined_Bond_Stereo_Count	0
8706	XLogP3	1.9
5373773	Isotope_Atom_Count	0
3452	Molecular_Weight	127.14
13544016	TPSA	23.6
64948	Molecular_Weight	254.29
25954	Defined_Bond_Stereo_Count	0
54690394	Undefined_Atom_Stereo_Count	0
3033521	Total_Formal_Charge	0
42174	Undefined_Atom_Stereo_Count	1
12739589	TPSA	26.3
15150444	Molecular_Weight	83.13
11126225	Hydrogen_Bond_Acceptor_Count	2
54595803	Covalent_Unit_Count	1
63656079	Rotatable_Bond_Count	2
20849107	XLogP3	3.4
12865495	Defined_Bond_Stereo_Count	0
44571147	Structure_Complexity	605
11063855	XLogP3	4.1
66599	Tautomer_Count	15
10308710	Non-hydrogen_Atom_Count	20
24884361	Mono_Isotopic_Weight	184.219100893
60196405	Total_Formal_Charge	0
137942834	Defined_Atom_Stereo_Count	0
3968000	XLogP3-AA	5.1
14440271	Structure_Complexity	46.8
24469	Undefined_Atom_Stereo_Count	1
12524131	Molecular_Weight	110.15
21545139	Defined_Bond_Stereo_Count	0
1639	Total_Formal_Charge	0
54530170	Defined_Atom_Stereo_Count	0
91971505	Hydrogen_Bond_Acceptor_Count	14
53630039	Exact_Mass	90.031694049
94630	Non-hydrogen_Atom_Count	5
135414248	Structure_Complexity	643
524646	Undefined_Atom_Stereo_Count	2
11255	Hydrogen_Bond_Donor_Count	0
146679386	Hydrogen_Bond_Donor_Count	12
559740	Molecular_Weight	129.24
98266	Exact_Mass	130.135765193
44449087	Total_Formal_Charge	0
62274	Covalent_Unit_Count	1
2801129	Total_Formal_Charge	0
893322	Isotope_Atom_Count	0
613365	Total_Formal_Charge	0
23102733	Defined_Bond_Stereo_Count	0
3798	Rotatable_Bond_Count	4
2866	XLogP3	2.9
14092185	Undefined_Bond_Stereo_Count	0
68090055	Covalent_Unit_Count	1
138200	Structure_Complexity	101
6720	TPSA	45.8
5282227	Isotope_Atom_Count	0
10616	Undefined_Bond_Stereo_Count	0
15447	Defined_Atom_Stereo_Count	0
13908	Molecular_Weight	216.26
12754	Rotatable_Bond_Count	0
40724	Hydrogen_Bond_Acceptor_Count	2
313215	Defined_Atom_Stereo_Count	0
62753	XLogP3-AA	10.6
122442248	Defined_Atom_Stereo_Count	0
32326	Total_Formal_Charge	0
93162	Defined_Bond_Stereo_Count	0
69315	Exact_Mass	290.130679813
17816	Covalent_Unit_Count	1
705228	XLogP3-AA	3.4
135191	Isotope_Atom_Count	0
122087	Hydrogen_Bond_Donor_Count	1
6422232	Defined_Bond_Stereo_Count	0
1787910	Undefined_Bond_Stereo_Count	0
11073377	Undefined_Bond_Stereo_Count	0
76997051	Molecular_Weight	99.17
16213698	Defined_Atom_Stereo_Count	18
44567097	Undefined_Bond_Stereo_Count	0
445039	Hydrogen_Bond_Acceptor_Count	8
7410	XLogP3	1.6
57284788	Hydrogen_Bond_Acceptor_Count	2
16197727	Rotatable_Bond_Count	51
119096639	Covalent_Unit_Count	1
97702	Isotope_Atom_Count	0
230351	Mono_Isotopic_Weight	132.078644241
89226742	Hydrogen_Bond_Acceptor_Count	2
194791	Exact_Mass	833.27485046
426756	Molecular_Weight	371.25
3009010	XLogP3-AA	3.6
102069	Non-hydrogen_Atom_Count	32
10582773	Rotatable_Bond_Count	3
15606546	TPSA	111
123304022	Molecular_Weight	102.13
91664033	Hydrogen_Bond_Donor_Count	30
810229	Rotatable_Bond_Count	7
136836	Undefined_Bond_Stereo_Count	0
583941	Non-hydrogen_Atom_Count	16
12716156	Exact_Mass	104.062600255
62963	Structure_Complexity	1340
5284429	Undefined_Bond_Stereo_Count	0
5311454	XLogP3	3.6
38627	Defined_Atom_Stereo_Count	0
14897389	Undefined_Bond_Stereo_Count	0
91604	Exact_Mass	210.161979940
656609	Undefined_Atom_Stereo_Count	0
62525	Mono_Isotopic_Weight	431.0002508
13396127	Total_Formal_Charge	0
21996040	TPSA	20.2
3014096	Exact_Mass	139.01953253
11908488	Undefined_Bond_Stereo_Count	0
68602	Defined_Bond_Stereo_Count	0
11198850	Non-hydrogen_Atom_Count	27
22023476	XLogP3-AA	0.6
56082	XLogP3-AA	3.6
91465	Rotatable_Bond_Count	5
101642132	Structure_Complexity	90.4
15801221	Undefined_Atom_Stereo_Count	0
54688261	Structure_Complexity	502
2017	Total_Formal_Charge	0
54543950	Defined_Bond_Stereo_Count	0
71575294	Isotope_Atom_Count	0
40537366	Mono_Isotopic_Weight	350.235813585
76318728	TPSA	18.5
6919025	Molecular_Weight	264.8
142906448	Undefined_Atom_Stereo_Count	1
3081078	Undefined_Bond_Stereo_Count	0
33254	Covalent_Unit_Count	3
624748	Covalent_Unit_Count	1
134694638	Covalent_Unit_Count	1
6452300	Hydrogen_Bond_Acceptor_Count	3
13293131	Isotope_Atom_Count	0
101534	Undefined_Atom_Stereo_Count	1
22450077	Rotatable_Bond_Count	3
76441	Undefined_Bond_Stereo_Count	0
60196294	Undefined_Atom_Stereo_Count	2
117965	Rotatable_Bond_Count	5
21490219	Mono_Isotopic_Weight	101.084063974
71306828	Non-hydrogen_Atom_Count	40
72200409	Defined_Bond_Stereo_Count	0
1257	TPSA	31.9
69591	Molecular_Weight	144.17
162172	Isotope_Atom_Count	0
168131	Mono_Isotopic_Weight	251.154823615
133126830	TPSA	154
5327159	XLogP3-AA	3.3
131750798	Molecular_Weight	494.4
140920	Covalent_Unit_Count	1
72924	Tautomer_Count	5
91688	Defined_Atom_Stereo_Count	0
97032	TPSA	40.5
177085	XLogP3-AA	2.2
123404946	Mono_Isotopic_Weight	107.073499291
9865808	Undefined_Bond_Stereo_Count	0
75779	Rotatable_Bond_Count	28
117065485	Defined_Atom_Stereo_Count	4
65492	Structure_Complexity	583
32243	Isotope_Atom_Count	0
32339	Defined_Bond_Stereo_Count	0
7916	Hydrogen_Bond_Acceptor_Count	2
11511	Non-hydrogen_Atom_Count	8
72034	Covalent_Unit_Count	2
6917852	Molecular_Weight	663.6
73653998	Hydrogen_Bond_Donor_Count	2
126624267	TPSA	190
1923	Rotatable_Bond_Count	0
151177	Exact_Mass	404.25627424
20514195	Non-hydrogen_Atom_Count	7
71398	Covalent_Unit_Count	1
2041326	Covalent_Unit_Count	1
33032	Non-hydrogen_Atom_Count	10
8974	Isotope_Atom_Count	0
54317152	TPSA	45.4
14040	Defined_Atom_Stereo_Count	0
19816560	Molecular_Weight	103.16
542680	Structure_Complexity	72.1
24721009	Rotatable_Bond_Count	7
119205	Mono_Isotopic_Weight	358.14163842
304016	Structure_Complexity	177
136190013	Molecular_Weight	334.17
60198	XLogP3-AA	3.1
54567078	Exact_Mass	101.084063974
135977933	Defined_Atom_Stereo_Count	0
139088049	Covalent_Unit_Count	6
242605	Structure_Complexity	248
63013	Defined_Bond_Stereo_Count	0
16095274	Covalent_Unit_Count	1
11048104	Structure_Complexity	467
71583157	Undefined_Atom_Stereo_Count	0
5282230	Undefined_Bond_Stereo_Count	0
31226	Hydrogen_Bond_Donor_Count	0
68012	Defined_Atom_Stereo_Count	0
49766037	Covalent_Unit_Count	1
44457968	TPSA	84
11386747	TPSA	79.4
11995188	Undefined_Atom_Stereo_Count	0
21792546	Isotope_Atom_Count	0
62719	Exact_Mass	218.13382109
1988	Structure_Complexity	260
71248	Defined_Bond_Stereo_Count	0
637540	Defined_Bond_Stereo_Count	1
71254	XLogP3-AA	1.7
522105	Isotope_Atom_Count	0
20266	Hydrogen_Bond_Acceptor_Count	4
5562	Molecular_Weight	302.37
8422	Isotope_Atom_Count	0
15990796	Isotope_Atom_Count	0
23679632	Isotope_Atom_Count	0
65388	TPSA	68.4
535111	Total_Formal_Charge	0
31639	Total_Formal_Charge	0
161259	Structure_Complexity	1000
96344	Undefined_Atom_Stereo_Count	0
129712967	TPSA	88.4
193965	Tautomer_Count	2
447180	Covalent_Unit_Count	1
92425	Hydrogen_Bond_Acceptor_Count	5
136183544	Non-hydrogen_Atom_Count	31
2267	Mono_Isotopic_Weight	381.1607901
7140	Hydrogen_Bond_Donor_Count	1
174174	Non-hydrogen_Atom_Count	21
6918284	Non-hydrogen_Atom_Count	77
34364440	Covalent_Unit_Count	1
54725318	Tautomer_Count	8
46934729	Exact_Mass	264.10111102
57401684	TPSA	102
44408641	Structure_Complexity	491
33944	Hydrogen_Bond_Acceptor_Count	2
138975	Total_Formal_Charge	0
67923265	Hydrogen_Bond_Donor_Count	1
3081561	Exact_Mass	1679.5653479
95362	Tautomer_Count	1
92416	Hydrogen_Bond_Acceptor_Count	4
68880	Rotatable_Bond_Count	7
23496	Exact_Mass	189.87999
154437	Defined_Atom_Stereo_Count	0
528143	Covalent_Unit_Count	1
120096	Undefined_Bond_Stereo_Count	0
11986122	Mono_Isotopic_Weight	230.003015
130993429	Covalent_Unit_Count	1
9810929	Hydrogen_Bond_Acceptor_Count	9
37924	Non-hydrogen_Atom_Count	16
11065	Undefined_Atom_Stereo_Count	0
108424	Hydrogen_Bond_Donor_Count	1
9458	Total_Formal_Charge	0
24027	XLogP3-AA	4.6
66071945	Hydrogen_Bond_Acceptor_Count	2
70689311	Covalent_Unit_Count	3
23279022	Structure_Complexity	50
35459	Molecular_Weight	162.18
4075159	Structure_Complexity	446
13694	Exact_Mass	212.0392780
94317	Covalent_Unit_Count	1
59310309	Covalent_Unit_Count	1
96090	Mono_Isotopic_Weight	111.048427358
90429111	Exact_Mass	115.026943022
24848382	Mono_Isotopic_Weight	152.107539070
74370	Isotope_Atom_Count	0
3564	Molecular_Weight	214.26
12462026	Defined_Bond_Stereo_Count	0
13587	TPSA	13.1
15561101	Defined_Bond_Stereo_Count	0
443870	Defined_Atom_Stereo_Count	0
10898645	Undefined_Bond_Stereo_Count	0
22264	Non-hydrogen_Atom_Count	27
20191	Molecular_Weight	380.3
4454	Hydrogen_Bond_Donor_Count	13
9826358	Rotatable_Bond_Count	6
16665100	Defined_Bond_Stereo_Count	0
165295	Defined_Bond_Stereo_Count	0
11421	Defined_Bond_Stereo_Count	0
9870843	Defined_Bond_Stereo_Count	2
25007799	Covalent_Unit_Count	1
30489	Structure_Complexity	115
58453	Isotope_Atom_Count	0
73977860	Non-hydrogen_Atom_Count	8
7375	Hydrogen_Bond_Donor_Count	1
147614	Undefined_Atom_Stereo_Count	0
2762894	Structure_Complexity	72.9
15027981	Rotatable_Bond_Count	0
20571541	Rotatable_Bond_Count	3
14112079	Exact_Mass	101.047678466
56661920	Non-hydrogen_Atom_Count	35
21835817	Non-hydrogen_Atom_Count	7
11440685	Mono_Isotopic_Weight	390.16785316
57392611	Undefined_Bond_Stereo_Count	0
250629	Undefined_Atom_Stereo_Count	0
165506	XLogP3	2.8
135209752	Defined_Bond_Stereo_Count	0
71571522	Defined_Bond_Stereo_Count	0
59814883	Undefined_Atom_Stereo_Count	0
13017	Non-hydrogen_Atom_Count	9
12898	Undefined_Bond_Stereo_Count	0
9819350	XLogP3-AA	3.8
9643	Molecular_Weight	232.94
12510987	Exact_Mass	98.084398327
135398508	Tautomer_Count	9
6437357	Tautomer_Count	6
7511	Defined_Bond_Stereo_Count	0
93	Undefined_Atom_Stereo_Count	0
66489873	Undefined_Bond_Stereo_Count	0
7668	Defined_Atom_Stereo_Count	0
6656	Covalent_Unit_Count	1
123792	Mono_Isotopic_Weight	680.35336251
50918929	Undefined_Bond_Stereo_Count	0
316473	Hydrogen_Bond_Donor_Count	1
2617	Undefined_Bond_Stereo_Count	0
5791	Exact_Mass	275.1288213
23533634	Mono_Isotopic_Weight	118.062994177
53324425	Isotope_Atom_Count	0
2741326	Structure_Complexity	227
62930	Covalent_Unit_Count	1
15875	Undefined_Bond_Stereo_Count	0
125353406	Covalent_Unit_Count	1
18636	TPSA	18.5
85238	Defined_Bond_Stereo_Count	0
12933763	Structure_Complexity	128
11832956	Rotatable_Bond_Count	0
13052471	Structure_Complexity	205
91087925	Molecular_Weight	97.16
123133975	Non-hydrogen_Atom_Count	57
434207	Mono_Isotopic_Weight	342.04795251
91610	Hydrogen_Bond_Donor_Count	2
9543528	Undefined_Atom_Stereo_Count	0
37459	TPSA	23.5
121861	Total_Formal_Charge	0
23510138	Non-hydrogen_Atom_Count	7
442294	Total_Formal_Charge	0
6780	Total_Formal_Charge	0
15951485	Undefined_Atom_Stereo_Count	1
439352	TPSA	42.5
238288	Defined_Atom_Stereo_Count	0
71453618	Exact_Mass	392.0927701
42611257	XLogP3-AA	5
57038995	Non-hydrogen_Atom_Count	7
55624	Structure_Complexity	581
29356	Undefined_Atom_Stereo_Count	0
23688976	Defined_Atom_Stereo_Count	0
5944	Exact_Mass	196.07355886
90736006	Molecular_Weight	110.20
57104	TPSA	104
53480	Hydrogen_Bond_Acceptor_Count	1
31297	Tautomer_Count	1
124655	Defined_Atom_Stereo_Count	0
53861228	Structure_Complexity	61.2
114681	Covalent_Unit_Count	1
68322079	Molecular_Weight	353.4
15394	Defined_Bond_Stereo_Count	0
556051	Exact_Mass	106.041864811
49862577	Undefined_Atom_Stereo_Count	1
21482444	Defined_Bond_Stereo_Count	0
4121	Rotatable_Bond_Count	2
448055	Exact_Mass	275.15214353
165892084	Rotatable_Bond_Count	0
7848	Defined_Bond_Stereo_Count	0
20279	Structure_Complexity	338
89578867	Hydrogen_Bond_Acceptor_Count	2
90479783	Non-hydrogen_Atom_Count	29
49864532	Mono_Isotopic_Weight	343.1199879
75712	Covalent_Unit_Count	1
118104	Structure_Complexity	109
98651	XLogP3-AA	3.5
7595	Hydrogen_Bond_Acceptor_Count	1
70696864	XLogP3-AA	2.1
67486	Mono_Isotopic_Weight	168.068748264
13848133	Structure_Complexity	72.1
92764	TPSA	0
5401	Undefined_Bond_Stereo_Count	0
21932803	Exact_Mass	121.03884512
59111489	Undefined_Atom_Stereo_Count	6
151093	Defined_Bond_Stereo_Count	0
21902132	Covalent_Unit_Count	1
158698	Hydrogen_Bond_Donor_Count	1
121938	Undefined_Bond_Stereo_Count	0
24766297	Structure_Complexity	776
5311201	Structure_Complexity	658
5777	Isotope_Atom_Count	0
29385	Covalent_Unit_Count	1
8590	XLogP3-AA	3.8
365938	Non-hydrogen_Atom_Count	28
688451	Non-hydrogen_Atom_Count	17
97637	Total_Formal_Charge	0
2530251	Defined_Atom_Stereo_Count	0
76337	Defined_Bond_Stereo_Count	0
3647	Undefined_Bond_Stereo_Count	0
397	Structure_Complexity	205
233979	Defined_Bond_Stereo_Count	0
60794	Mono_Isotopic_Weight	814.2185717
9816981	Exact_Mass	274.09872823
65866	Defined_Atom_Stereo_Count	0
24409	Undefined_Atom_Stereo_Count	0
44237360	Non-hydrogen_Atom_Count	44
253350	Covalent_Unit_Count	1
81832	Hydrogen_Bond_Acceptor_Count	5
11768544	Undefined_Atom_Stereo_Count	0
130904	Mono_Isotopic_Weight	475.27225866
21914506	Undefined_Atom_Stereo_Count	2
18617909	Undefined_Bond_Stereo_Count	0
21792546	Molecular_Weight	246.21
866430	Undefined_Atom_Stereo_Count	0
53731118	Covalent_Unit_Count	1
86049	Structure_Complexity	30.7
41019	Isotope_Atom_Count	0
31353	Rotatable_Bond_Count	7
413537	Defined_Bond_Stereo_Count	0
58420727	Hydrogen_Bond_Acceptor_Count	3
57035514	Rotatable_Bond_Count	1
12432039	Non-hydrogen_Atom_Count	6
245729	Defined_Bond_Stereo_Count	0
12940550	Hydrogen_Bond_Donor_Count	1
21585056	Hydrogen_Bond_Donor_Count	1
10193406	Hydrogen_Bond_Acceptor_Count	4
82538	Total_Formal_Charge	0
98218	Undefined_Bond_Stereo_Count	0
4936	Structure_Complexity	454
656609	Mono_Isotopic_Weight	477.21832559
13611193	Covalent_Unit_Count	1
15256327	Covalent_Unit_Count	1
71377	Isotope_Atom_Count	0
448372	Undefined_Bond_Stereo_Count	0
123923638	Exact_Mass	60.076679465
89580	Structure_Complexity	34.5
398729	Total_Formal_Charge	0
22525422	XLogP3	3.1
12247338	Isotope_Atom_Count	0
18805	Isotope_Atom_Count	0
12731218	Hydrogen_Bond_Acceptor_Count	1
528407	Isotope_Atom_Count	0
3081078	Hydrogen_Bond_Acceptor_Count	2
10111	Total_Formal_Charge	0
2416	Covalent_Unit_Count	1
160801313	Exact_Mass	112.052429494
39425	Covalent_Unit_Count	1
6175	Isotope_Atom_Count	0
5368076	Mono_Isotopic_Weight	170.130679813
10796718	Exact_Mass	112.052429494
52950209	Covalent_Unit_Count	1
12958096	Total_Formal_Charge	0
8779	Isotope_Atom_Count	0
21864427	Hydrogen_Bond_Donor_Count	21
10310632	Hydrogen_Bond_Acceptor_Count	5
16722164	Total_Formal_Charge	0
118219535	Covalent_Unit_Count	1
54712709	Defined_Atom_Stereo_Count	2
85456	Hydrogen_Bond_Acceptor_Count	6
62398142	Molecular_Weight	110.16
83648	Undefined_Bond_Stereo_Count	0
5372720	Structure_Complexity	333
58247682	Defined_Bond_Stereo_Count	0
590130	Undefined_Atom_Stereo_Count	2
84715999	Structure_Complexity	105
61627	Defined_Atom_Stereo_Count	0
135415564	Hydrogen_Bond_Donor_Count	5
13972130	Undefined_Bond_Stereo_Count	0
9543187	Covalent_Unit_Count	1
300312	Hydrogen_Bond_Acceptor_Count	1
125183302	Rotatable_Bond_Count	13
13760528	Molecular_Weight	112.17
846942	Molecular_Weight	243.28
16950	Molecular_Weight	290.27
67668	Structure_Complexity	231
10196873	Non-hydrogen_Atom_Count	43
20033044	Non-hydrogen_Atom_Count	8
129651290	Non-hydrogen_Atom_Count	31
59117176	Non-hydrogen_Atom_Count	8
62322	Hydrogen_Bond_Donor_Count	0
10812218	Undefined_Bond_Stereo_Count	0
54006622	Molecular_Weight	112.17
347590	TPSA	63.7
140334	Non-hydrogen_Atom_Count	14
9963148	Rotatable_Bond_Count	26
5326713	Hydrogen_Bond_Donor_Count	0
3386	Isotope_Atom_Count	0
60595	Hydrogen_Bond_Donor_Count	0
89129308	Rotatable_Bond_Count	1
21470	Structure_Complexity	1120
15570483	Hydrogen_Bond_Acceptor_Count	0
32681	Total_Formal_Charge	0
43539930	Non-hydrogen_Atom_Count	8
12902	TPSA	20.2
492	Total_Formal_Charge	0
16120	Total_Formal_Charge	0
12950121	Isotope_Atom_Count	0
16767478	Mono_Isotopic_Weight	109.063997236
142034647	Hydrogen_Bond_Acceptor_Count	2
91230338	Hydrogen_Bond_Acceptor_Count	0
326240	Structure_Complexity	1080
946920	Mono_Isotopic_Weight	343.13544809
11967214	Exact_Mass	801.34907
9934347	Non-hydrogen_Atom_Count	33
5479494	TPSA	169
5003096	Exact_Mass	157.01974964
202	Defined_Bond_Stereo_Count	0
22605229	Exact_Mass	102.031694049
163317	Molecular_Weight	218.25
14120	Isotope_Atom_Count	0
64617	Covalent_Unit_Count	1
40537366	Rotatable_Bond_Count	6
146868632	Hydrogen_Bond_Acceptor_Count	2
95946	Isotope_Atom_Count	0
53708	Hydrogen_Bond_Donor_Count	2
73433	Structure_Complexity	148
24352	Undefined_Bond_Stereo_Count	0
99290	Mono_Isotopic_Weight	190.09535693
413552	Total_Formal_Charge	0
159594	Non-hydrogen_Atom_Count	37
75312	Molecular_Weight	259.43
85296	Molecular_Weight	147.24
57174031	Molecular_Weight	284.35
18628727	Hydrogen_Bond_Acceptor_Count	3
78959	Structure_Complexity	75.1
192160	Mono_Isotopic_Weight	342.21949481
101821629	Hydrogen_Bond_Donor_Count	0
86101	TPSA	50.8
1548953	Total_Formal_Charge	0
177976	Isotope_Atom_Count	0
131159598	Mono_Isotopic_Weight	112.088815002
40467085	Non-hydrogen_Atom_Count	33
6457	TPSA	20.2
10772937	Tautomer_Count	1
141168949	Isotope_Atom_Count	0
105093	Molecular_Weight	196.96657
12505483	Undefined_Bond_Stereo_Count	0
123223196	Structure_Complexity	103
18195	Covalent_Unit_Count	1
73357703	Hydrogen_Bond_Donor_Count	1
22960	Isotope_Atom_Count	0
104764	Isotope_Atom_Count	0
556	Covalent_Unit_Count	1
181887	Defined_Atom_Stereo_Count	0
2443	Exact_Mass	653.22128
6003	Hydrogen_Bond_Donor_Count	0
11672461	Defined_Atom_Stereo_Count	1
76771	Rotatable_Bond_Count	1
224244	Exact_Mass	112.088815002
35729	Mono_Isotopic_Weight	183.0087061
17856473	Structure_Complexity	126
68089	Molecular_Weight	291.3
216295	Exact_Mass	484.31216641
158294441	Non-hydrogen_Atom_Count	8
14671559	Undefined_Atom_Stereo_Count	0
89036	Hydrogen_Bond_Donor_Count	2
47024	Exact_Mass	378.08043
111	Undefined_Atom_Stereo_Count	0
58160574	Mono_Isotopic_Weight	527.23263824
4042	Tautomer_Count	10
47685	Tautomer_Count	1
445694	Exact_Mass	164.094963011
20774105	Structure_Complexity	122
969105	Undefined_Atom_Stereo_Count	0
6197820	Undefined_Atom_Stereo_Count	0
21262	Total_Formal_Charge	0
40218	Total_Formal_Charge	0
87216	Hydrogen_Bond_Donor_Count	4
24191	Isotope_Atom_Count	0
9960389	Molecular_Weight	603.1
439263	Non-hydrogen_Atom_Count	11
65937	Hydrogen_Bond_Donor_Count	2
3006315	Rotatable_Bond_Count	2
996	Structure_Complexity	46.1
118855904	Total_Formal_Charge	0
17948	Undefined_Atom_Stereo_Count	0
7959	Defined_Bond_Stereo_Count	0
278711	Structure_Complexity	690
10453870	Structure_Complexity	525
68022407	Covalent_Unit_Count	1
633	Rotatable_Bond_Count	23
656743	Non-hydrogen_Atom_Count	28
20823	Hydrogen_Bond_Donor_Count	1
54089	Hydrogen_Bond_Acceptor_Count	3
37247	Covalent_Unit_Count	1
2750	TPSA	80.7
134826704	Hydrogen_Bond_Acceptor_Count	17
45255840	Hydrogen_Bond_Acceptor_Count	4
135449331	Hydrogen_Bond_Acceptor_Count	11
54166403	Non-hydrogen_Atom_Count	8
18747	Tautomer_Count	2
10161305	Rotatable_Bond_Count	8
9884642	Defined_Bond_Stereo_Count	0
15950520	Undefined_Bond_Stereo_Count	0
9883104	Undefined_Atom_Stereo_Count	0
2640	Rotatable_Bond_Count	7
839	TPSA	121
6999987	Exact_Mass	102.104465066
75921	Structure_Complexity	291
164513759	Hydrogen_Bond_Acceptor_Count	3
68953	Mono_Isotopic_Weight	299.97859
10753311	Defined_Bond_Stereo_Count	0
5351489	Rotatable_Bond_Count	2
94021	Undefined_Bond_Stereo_Count	0
29656	Mono_Isotopic_Weight	102.104465066
334102	XLogP3-AA	3.5
54676715	Undefined_Bond_Stereo_Count	0
16351	Non-hydrogen_Atom_Count	23
21484	Undefined_Atom_Stereo_Count	0
5121	Isotope_Atom_Count	0
56927879	Exact_Mass	1442.70951898
70695634	TPSA	96.2
9352	Undefined_Bond_Stereo_Count	0
4268635	Defined_Bond_Stereo_Count	0
5273472	Isotope_Atom_Count	0
15174590	Non-hydrogen_Atom_Count	8
618542	Hydrogen_Bond_Donor_Count	1
141886129	Covalent_Unit_Count	1
6918107	Defined_Bond_Stereo_Count	0
20644245	Non-hydrogen_Atom_Count	7
550668	Rotatable_Bond_Count	4
546717	Covalent_Unit_Count	2
10373	Hydrogen_Bond_Acceptor_Count	3
11619519	Mono_Isotopic_Weight	458.0968101
57545	Isotope_Atom_Count	0
155465	Rotatable_Bond_Count	0
21417010	Non-hydrogen_Atom_Count	8
1549	Isotope_Atom_Count	0
46942	Mono_Isotopic_Weight	204.220163521
9800285	Defined_Atom_Stereo_Count	1
20192394	Non-hydrogen_Atom_Count	13
571	Isotope_Atom_Count	0
5460324	XLogP3-AA	2.4
47328	Defined_Bond_Stereo_Count	0
135455579	Rotatable_Bond_Count	7
399748	Mono_Isotopic_Weight	366.14672380
58087	Mono_Isotopic_Weight	388.0210617
7204	Undefined_Bond_Stereo_Count	0
12285893	Non-hydrogen_Atom_Count	12
54025583	Undefined_Atom_Stereo_Count	1
11281011	Isotope_Atom_Count	0
10427712	Defined_Atom_Stereo_Count	0
71648	XLogP3	1.3
43295	Non-hydrogen_Atom_Count	23
8	Undefined_Bond_Stereo_Count	0
833992	Rotatable_Bond_Count	2
10243599	Defined_Bond_Stereo_Count	0
4687937	Total_Formal_Charge	0
1099	Structure_Complexity	18.8
141210311	Mono_Isotopic_Weight	116.047344113
9084	Defined_Atom_Stereo_Count	0
135413544	Undefined_Atom_Stereo_Count	0
54171635	Undefined_Atom_Stereo_Count	1
40308	Non-hydrogen_Atom_Count	10
86582	Molecular_Weight	188.31
65758	XLogP3-AA	3
9787	Structure_Complexity	1350
289085	Rotatable_Bond_Count	8
66475	Hydrogen_Bond_Acceptor_Count	4
57390700	TPSA	156
68871182	Rotatable_Bond_Count	1
135643052	Hydrogen_Bond_Acceptor_Count	5
439299	Structure_Complexity	367
101399329	Molecular_Weight	112.13
8209	Molecular_Weight	214.39
6444353	Mono_Isotopic_Weight	385.0878830
66204	Mono_Isotopic_Weight	246.81429
12302	Hydrogen_Bond_Acceptor_Count	2
3795601	Defined_Atom_Stereo_Count	0
14172370	Covalent_Unit_Count	1
72015	Mono_Isotopic_Weight	339.12527733
166957	Structure_Complexity	0
49792792	Defined_Atom_Stereo_Count	0
23681141	Total_Formal_Charge	0
9087	Molecular_Weight	171.15
67075765	Hydrogen_Bond_Donor_Count	0
66666	Mono_Isotopic_Weight	130.078250319
11440492	Total_Formal_Charge	0
60160561	Non-hydrogen_Atom_Count	40
135415868	Structure_Complexity	865
131632024	Rotatable_Bond_Count	0
12715	Structure_Complexity	82.5
63419	Covalent_Unit_Count	1
10072851	Structure_Complexity	731
54572793	Mono_Isotopic_Weight	100.063662883
80421	XLogP3-AA	0.6
437	Rotatable_Bond_Count	4
23689980	Undefined_Bond_Stereo_Count	0
6129	Defined_Atom_Stereo_Count	0
61055	Defined_Bond_Stereo_Count	0
15438	Exact_Mass	222.06742811
162461	Molecular_Weight	213.27
10351178	Hydrogen_Bond_Donor_Count	2
135532293	Molecular_Weight	190.09
4895	Hydrogen_Bond_Donor_Count	2
20699949	Non-hydrogen_Atom_Count	8
2486	Defined_Atom_Stereo_Count	0
5189	XLogP3-AA	3.2
86306373	Rotatable_Bond_Count	1
66102	TPSA	52.6
72200849	Undefined_Atom_Stereo_Count	0
158698	Rotatable_Bond_Count	5
130918	Defined_Bond_Stereo_Count	0
21723	Covalent_Unit_Count	1
9895035	Defined_Bond_Stereo_Count	0
123237074	TPSA	20.2
129638074	Non-hydrogen_Atom_Count	31
589692	TPSA	51.6
161166	Hydrogen_Bond_Donor_Count	3
6971003	Molecular_Weight	180.16
74079	Hydrogen_Bond_Acceptor_Count	4
22015260	Rotatable_Bond_Count	2
5377791	Hydrogen_Bond_Acceptor_Count	4
287755	Hydrogen_Bond_Donor_Count	0
5489120	Undefined_Atom_Stereo_Count	0
12216463	Defined_Atom_Stereo_Count	0
108108	Total_Formal_Charge	0
5356	TPSA	114
66545	Mono_Isotopic_Weight	238.04121336
51029965	Rotatable_Bond_Count	7
12995	Undefined_Atom_Stereo_Count	0
12539007	Isotope_Atom_Count	0
64328	Exact_Mass	248.225248902
106219	Hydrogen_Bond_Donor_Count	0
24865390	Non-hydrogen_Atom_Count	22
4686860	Defined_Atom_Stereo_Count	0
69332494	Undefined_Atom_Stereo_Count	0
33728341	Molecular_Weight	113.12
15588	Covalent_Unit_Count	1
9898279	Defined_Bond_Stereo_Count	0
905275	Isotope_Atom_Count	0
5355856	Mono_Isotopic_Weight	224.177630004
73670	Undefined_Bond_Stereo_Count	0
5281034	Exact_Mass	332.23514488
42302	TPSA	46.2
21789	Total_Formal_Charge	0
88983	Defined_Bond_Stereo_Count	0
667476	Isotope_Atom_Count	0
84647649	Non-hydrogen_Atom_Count	8
60710317	Defined_Atom_Stereo_Count	0
129628281	Isotope_Atom_Count	0
7908	Molecular_Weight	101.19
188914	Structure_Complexity	212
95043	Defined_Bond_Stereo_Count	0
5324279	TPSA	32.6
15787996	Covalent_Unit_Count	2
148139	Hydrogen_Bond_Acceptor_Count	9
51021	TPSA	62.9
73166591	Structure_Complexity	64.6
134973	Undefined_Atom_Stereo_Count	2
69462939	Mono_Isotopic_Weight	112.063662883
7211	TPSA	40.5
11637	Molecular_Weight	67.52
10965866	Hydrogen_Bond_Donor_Count	0
9060	TPSA	79.1
18636	Molecular_Weight	459.7
60196293	Structure_Complexity	528
24182914	Structure_Complexity	121
33360	Exact_Mass	286.08749484
154489025	Structure_Complexity	119
21507	XLogP3-AA	1.3
135900090	TPSA	220
633097	Rotatable_Bond_Count	2
147873	Mono_Isotopic_Weight	240.10111102
5330213	TPSA	76.6
980	Covalent_Unit_Count	1
1629	Hydrogen_Bond_Acceptor_Count	6
8906	XLogP3	7.2
7773	Exact_Mass	398.33960994
3239235	Defined_Bond_Stereo_Count	0
5374527	XLogP3-AA	3.5
67972405	Molecular_Weight	111.10
9029	Defined_Bond_Stereo_Count	0
11286443	Undefined_Atom_Stereo_Count	0
13930075	Undefined_Atom_Stereo_Count	2
129761	Hydrogen_Bond_Donor_Count	2
69995962	Non-hydrogen_Atom_Count	6
14528850	Exact_Mass	112.088815002
70695665	Tautomer_Count	3
11099	Exact_Mass	167.094628657
10097082	XLogP3-AA	2.2
6364575	Mono_Isotopic_Weight	388.1706265
1976	Undefined_Bond_Stereo_Count	0
274412	Exact_Mass	114.068079557
44310852	TPSA	64.1
15043600	Total_Formal_Charge	0
95720	TPSA	79.8
16247	Undefined_Atom_Stereo_Count	0
57551933	Mono_Isotopic_Weight	114.104465066
6361	Isotope_Atom_Count	0
63950	Total_Formal_Charge	0
70689350	Hydrogen_Bond_Acceptor_Count	6
75443	Undefined_Bond_Stereo_Count	0
26715	Non-hydrogen_Atom_Count	14
3341	Covalent_Unit_Count	1
57417192	Hydrogen_Bond_Donor_Count	7
2810830	Defined_Bond_Stereo_Count	0
71184	Total_Formal_Charge	0
13950368	Rotatable_Bond_Count	3
5081356	Hydrogen_Bond_Acceptor_Count	12
22222152	Hydrogen_Bond_Donor_Count	0
425051	Rotatable_Bond_Count	0
19078026	Total_Formal_Charge	0
6951563	Non-hydrogen_Atom_Count	11
122767	Isotope_Atom_Count	0
53472153	Isotope_Atom_Count	0
138860	Structure_Complexity	168
82058	Total_Formal_Charge	0
11768544	Isotope_Atom_Count	0
2723617	Defined_Atom_Stereo_Count	1
60873	XLogP3-AA	3.6
32767	Defined_Bond_Stereo_Count	0
2079	Defined_Bond_Stereo_Count	0
840853	Non-hydrogen_Atom_Count	13
562796	Undefined_Bond_Stereo_Count	0
20147457	Rotatable_Bond_Count	0
104920	Total_Formal_Charge	0
4953	Rotatable_Bond_Count	12
10454	Non-hydrogen_Atom_Count	10
26877	Undefined_Atom_Stereo_Count	2
3003191	Undefined_Atom_Stereo_Count	1
5470	Defined_Atom_Stereo_Count	0
2565	Hydrogen_Bond_Acceptor_Count	5
92180	Non-hydrogen_Atom_Count	15
3083671	Non-hydrogen_Atom_Count	19
767951	Undefined_Bond_Stereo_Count	0
18719	Undefined_Atom_Stereo_Count	2
467825	Exact_Mass	437.11218768
20320770	Structure_Complexity	92.6
72200674	Undefined_Bond_Stereo_Count	0
11979781	Rotatable_Bond_Count	22
91936863	Undefined_Atom_Stereo_Count	0
67807	Tautomer_Count	1
129885959	Hydrogen_Bond_Donor_Count	6
205970	TPSA	42.8
139061453	Isotope_Atom_Count	0
66112	Defined_Bond_Stereo_Count	0
176155	Exact_Mass	377.09981148
85554474	Hydrogen_Bond_Donor_Count	2
8548	Exact_Mass	324.183778013
44755151	Isotope_Atom_Count	0
170249	Total_Formal_Charge	0
11151622	Defined_Bond_Stereo_Count	1
21947035	Molecular_Weight	159.20
1486	Non-hydrogen_Atom_Count	13
41508	Isotope_Atom_Count	0
21401558	Covalent_Unit_Count	1
21942786	Undefined_Bond_Stereo_Count	0
12428017	Rotatable_Bond_Count	1
122345	Undefined_Atom_Stereo_Count	1
12170	Molecular_Weight	140.14
51	Molecular_Weight	146.10
62656	Hydrogen_Bond_Acceptor_Count	1
433604	Undefined_Bond_Stereo_Count	0
5094381	Mono_Isotopic_Weight	112.063662883
53818	Exact_Mass	298.15287181
54051670	Defined_Atom_Stereo_Count	0
115011059	Hydrogen_Bond_Donor_Count	0
17898580	Non-hydrogen_Atom_Count	7
69332601	Defined_Atom_Stereo_Count	0
67698	Molecular_Weight	180.10
14040	Molecular_Weight	128.25
15375	Non-hydrogen_Atom_Count	8
23278030	Hydrogen_Bond_Donor_Count	1
13792372	Mono_Isotopic_Weight	102.068079557
22603659	Mono_Isotopic_Weight	109.052763847
13075	Mono_Isotopic_Weight	240.11817103
129654479	Exact_Mass	84.021129366
7361	Undefined_Atom_Stereo_Count	0
135983	Covalent_Unit_Count	1
82052	Hydrogen_Bond_Donor_Count	0
68297	XLogP3-AA	2.8
6326996	Defined_Bond_Stereo_Count	0
89318	Isotope_Atom_Count	0
22096	Hydrogen_Bond_Acceptor_Count	7
23712863	Rotatable_Bond_Count	0
162839	Structure_Complexity	175
55804	Molecular_Weight	217.69
6566	Hydrogen_Bond_Acceptor_Count	1
6374	Defined_Bond_Stereo_Count	0
46835136	Hydrogen_Bond_Donor_Count	1
28030	Non-hydrogen_Atom_Count	8
146159249	Non-hydrogen_Atom_Count	27
44560772	Defined_Atom_Stereo_Count	0
66965363	Undefined_Atom_Stereo_Count	0
160743752	Molecular_Weight	108.14
53373584	Undefined_Atom_Stereo_Count	0
53835276	Rotatable_Bond_Count	1
82337	TPSA	18.5
39971	Total_Formal_Charge	0
308140	Undefined_Atom_Stereo_Count	0
712421	Hydrogen_Bond_Donor_Count	2
46936772	Total_Formal_Charge	0
2734054	Total_Formal_Charge	0
5351	Hydrogen_Bond_Acceptor_Count	10
89990643	TPSA	47.3
6190	Defined_Atom_Stereo_Count	5
43858	Undefined_Bond_Stereo_Count	0
5352135	Covalent_Unit_Count	1
8657	Defined_Atom_Stereo_Count	0
69871	Isotope_Atom_Count	0
60196261	Undefined_Bond_Stereo_Count	0
263608	Molecular_Weight	161.20
65499	Tautomer_Count	1
56801	Exact_Mass	603.31960277
53796209	Covalent_Unit_Count	1
40466968	TPSA	121
343	Total_Formal_Charge	0
71397	Defined_Atom_Stereo_Count	0
56927704	Hydrogen_Bond_Acceptor_Count	12
3174	Defined_Bond_Stereo_Count	0
9638	Defined_Bond_Stereo_Count	0
29685	Defined_Atom_Stereo_Count	0
517058	Mono_Isotopic_Weight	163.9407790
516806	Covalent_Unit_Count	6
6154	Tautomer_Count	2
13400658	Defined_Atom_Stereo_Count	0
8024	XLogP3-AA	1.3
141140139	Covalent_Unit_Count	1
1533	Hydrogen_Bond_Acceptor_Count	2
9967055	Defined_Atom_Stereo_Count	4
69677	Undefined_Atom_Stereo_Count	0
451187	Undefined_Bond_Stereo_Count	0
22602645	Structure_Complexity	92.5
58318269	Molecular_Weight	284.35
15816	Hydrogen_Bond_Donor_Count	2
6532434	Undefined_Atom_Stereo_Count	0
440046	Mono_Isotopic_Weight	113.047678466
60155366	Hydrogen_Bond_Donor_Count	0
66013	Non-hydrogen_Atom_Count	8
9919910	Non-hydrogen_Atom_Count	72
12201381	Defined_Bond_Stereo_Count	0
138106991	Total_Formal_Charge	0
519846	Structure_Complexity	72.9
72747174	Mono_Isotopic_Weight	100.100048391
9804302	Covalent_Unit_Count	1
638116	Hydrogen_Bond_Acceptor_Count	1
105104	Defined_Atom_Stereo_Count	3
446576	Covalent_Unit_Count	1
135419182	Covalent_Unit_Count	1
543909	Defined_Atom_Stereo_Count	0
52999	Mono_Isotopic_Weight	381.07430439
3843	Exact_Mass	495.17942091
30545	Non-hydrogen_Atom_Count	21
2736145	Hydrogen_Bond_Donor_Count	1
9794197	Rotatable_Bond_Count	3
712373	Defined_Atom_Stereo_Count	0
16218979	Undefined_Bond_Stereo_Count	0
30856	Rotatable_Bond_Count	0
71374162	Undefined_Bond_Stereo_Count	1
66747531	Isotope_Atom_Count	0
17825297	Defined_Bond_Stereo_Count	0
123671769	Undefined_Atom_Stereo_Count	0
3415	Undefined_Bond_Stereo_Count	0
75211	Rotatable_Bond_Count	10
29051	Exact_Mass	1084.47265329
24899382	Defined_Atom_Stereo_Count	3
21498	Undefined_Atom_Stereo_Count	0
86298	Defined_Bond_Stereo_Count	0
3055	Non-hydrogen_Atom_Count	23
63245	Undefined_Bond_Stereo_Count	0
66156	Exact_Mass	203.9576748
73673720	Defined_Bond_Stereo_Count	0
77935	Covalent_Unit_Count	1
46240	Undefined_Bond_Stereo_Count	0
12069	Non-hydrogen_Atom_Count	15
41017	Tautomer_Count	1
688009	Isotope_Atom_Count	0
71853	Hydrogen_Bond_Acceptor_Count	47
124514	Tautomer_Count	4
163988282	Non-hydrogen_Atom_Count	8
22262513	Mono_Isotopic_Weight	99.068413911
23677058	Structure_Complexity	384
3724921	Mono_Isotopic_Weight	114.104465066
13311642	Total_Formal_Charge	0
5369209	TPSA	63.6
132274667	Undefined_Atom_Stereo_Count	1
13771069	Defined_Atom_Stereo_Count	0
7951	Rotatable_Bond_Count	0
124823	Non-hydrogen_Atom_Count	17
136642	Defined_Atom_Stereo_Count	0
126970648	Total_Formal_Charge	0
30108	Molecular_Weight	233.26
1553	Total_Formal_Charge	0
375912	Rotatable_Bond_Count	1
12472552	Covalent_Unit_Count	1
659063	Structure_Complexity	579
3034287	Hydrogen_Bond_Donor_Count	1
88520001	Defined_Bond_Stereo_Count	1
14671256	Rotatable_Bond_Count	4
56683653	Defined_Atom_Stereo_Count	0
556836	TPSA	20.2
185495	Tautomer_Count	1
11009	Total_Formal_Charge	0
123841971	Defined_Bond_Stereo_Count	0
10669	Covalent_Unit_Count	1
133562683	TPSA	289
3327	Hydrogen_Bond_Donor_Count	1
7003	Covalent_Unit_Count	1
118121642	Molecular_Weight	110.11
5282547	Hydrogen_Bond_Donor_Count	1
10197646	Defined_Bond_Stereo_Count	0
44571105	Isotope_Atom_Count	0
79718	Isotope_Atom_Count	0
7124	Isotope_Atom_Count	0
7363	Isotope_Atom_Count	0
4284720	Rotatable_Bond_Count	5
5238	Covalent_Unit_Count	2
3790357	Hydrogen_Bond_Donor_Count	1
57396041	Undefined_Atom_Stereo_Count	0
7512	Total_Formal_Charge	0
73154880	Exact_Mass	364.041132
1082	Exact_Mass	337.09437113
8310	Hydrogen_Bond_Acceptor_Count	6
98043896	Total_Formal_Charge	0
132787	Exact_Mass	336.183778013
69016240	Undefined_Atom_Stereo_Count	0
12187	Defined_Bond_Stereo_Count	0
5353370	Structure_Complexity	236
9983746	Rotatable_Bond_Count	3
679	Structure_Complexity	29
59296081	Total_Formal_Charge	0
21319	Hydrogen_Bond_Acceptor_Count	8
127382	Undefined_Atom_Stereo_Count	0
141407440	Defined_Bond_Stereo_Count	0
61251	TPSA	38.3
133124921	Covalent_Unit_Count	1
3061720	Isotope_Atom_Count	0
41095	Molecular_Weight	249.35
10263	Mono_Isotopic_Weight	134.109550447
5363548	Tautomer_Count	1
449069	Rotatable_Bond_Count	0
67691	Exact_Mass	122.053178385
34208	Non-hydrogen_Atom_Count	20
153097190	XLogP3-AA	1.2
11354711	Defined_Atom_Stereo_Count	13
39066	Undefined_Atom_Stereo_Count	2
656604	Undefined_Bond_Stereo_Count	0
44414758	TPSA	55.1
84597	Covalent_Unit_Count	1
15179723	Mono_Isotopic_Weight	102.079312947
71583494	Defined_Bond_Stereo_Count	0
30550	Total_Formal_Charge	0
91489	TPSA	74.2
40474	Exact_Mass	393.802494
22132384	Undefined_Bond_Stereo_Count	0
443310	Undefined_Atom_Stereo_Count	7
288862	Rotatable_Bond_Count	1
11722	Non-hydrogen_Atom_Count	5
147205698	TPSA	31.2
7092	Structure_Complexity	220
6999	Total_Formal_Charge	0
402869	Defined_Atom_Stereo_Count	0
60196297	Structure_Complexity	377
87476740	Isotope_Atom_Count	0
3497012	Rotatable_Bond_Count	2
6566	Structure_Complexity	22.9
8425	Molecular_Weight	218.68
54434340	Undefined_Atom_Stereo_Count	0
5318	TPSA	43.1
92043424	Hydrogen_Bond_Acceptor_Count	50
129659218	Undefined_Atom_Stereo_Count	0
156839069	Isotope_Atom_Count	0
5288075	Undefined_Bond_Stereo_Count	0
5300	Hydrogen_Bond_Acceptor_Count	8
54581775	Structure_Complexity	488
6535	Undefined_Bond_Stereo_Count	0
60789	Defined_Atom_Stereo_Count	1
54582799	Structure_Complexity	267
68321947	Non-hydrogen_Atom_Count	28
6733	Molecular_Weight	230.26
6839	Defined_Bond_Stereo_Count	0
825353	TPSA	129
19539	Total_Formal_Charge	0
2833	Exact_Mass	399.16818752
53319416	Defined_Atom_Stereo_Count	0
5460044	Hydrogen_Bond_Donor_Count	6
12817960	Molecular_Weight	98.14
3661	Covalent_Unit_Count	1
9643	Hydrogen_Bond_Donor_Count	0
91216087	XLogP3-AA	0.6
541661	Mono_Isotopic_Weight	129.98369848
99868	Covalent_Unit_Count	1
54413601	Non-hydrogen_Atom_Count	20
21096	Structure_Complexity	151
6668	Isotope_Atom_Count	0
4726	Hydrogen_Bond_Donor_Count	3
69561	Mono_Isotopic_Weight	318.99083258
522266	XLogP3-AA	3.1
74615	Defined_Atom_Stereo_Count	0
23533635	Structure_Complexity	99.8
153997402	Hydrogen_Bond_Donor_Count	1
5966	Defined_Atom_Stereo_Count	0
12309518	TPSA	45.6
89318	Undefined_Bond_Stereo_Count	0
9801	Mono_Isotopic_Weight	329.214349865
6917864	Exact_Mass	384.17841785
57394	Total_Formal_Charge	0
57052261	Defined_Bond_Stereo_Count	0
28697	Molecular_Weight	226.4
25144864	Covalent_Unit_Count	3
52919826	Hydrogen_Bond_Acceptor_Count	5
362828	Isotope_Atom_Count	0
6922965	Hydrogen_Bond_Acceptor_Count	1
23678802	Undefined_Bond_Stereo_Count	0
54704426	Structure_Complexity	971
74041114	Covalent_Unit_Count	1
51081	Defined_Atom_Stereo_Count	0
11995188	Undefined_Bond_Stereo_Count	0
50360	Hydrogen_Bond_Donor_Count	0
44183569	Rotatable_Bond_Count	6
30530	Rotatable_Bond_Count	3
10898638	Exact_Mass	84.057514874
53828439	Defined_Bond_Stereo_Count	0
3661	Structure_Complexity	353
11960529	Hydrogen_Bond_Acceptor_Count	3
8317	Rotatable_Bond_Count	0
9246	Total_Formal_Charge	0
317678	Defined_Bond_Stereo_Count	0
121026	Hydrogen_Bond_Acceptor_Count	3
57417192	TPSA	231
146395	Rotatable_Bond_Count	8
13635047	Non-hydrogen_Atom_Count	8
1016	Defined_Bond_Stereo_Count	0
712446	Undefined_Bond_Stereo_Count	0
3433	Structure_Complexity	402
5280451	Isotope_Atom_Count	0
47675	Tautomer_Count	1
188350	TPSA	132
132278564	Hydrogen_Bond_Acceptor_Count	7
9848818	TPSA	132
5353613	Total_Formal_Charge	0
31249	Defined_Atom_Stereo_Count	0
5770	Structure_Complexity	1000
84098	Defined_Atom_Stereo_Count	0
6389	Total_Formal_Charge	0
11116540	Molecular_Weight	173.33
10994	Total_Formal_Charge	0
115034	Total_Formal_Charge	0
137319715	Defined_Bond_Stereo_Count	0
62436	Hydrogen_Bond_Acceptor_Count	1
54150876	TPSA	64.6
93513	Undefined_Bond_Stereo_Count	0
7081	Covalent_Unit_Count	1
44144393	Covalent_Unit_Count	1
145731381	Rotatable_Bond_Count	13
9356	Tautomer_Count	1
57403932	Covalent_Unit_Count	1
31917	XLogP3-AA	2.2
72396	Undefined_Bond_Stereo_Count	0
12416832	TPSA	122
67473	XLogP3	2.5
2723789	Undefined_Bond_Stereo_Count	0
97389	Hydrogen_Bond_Acceptor_Count	3
954444	Molecular_Weight	292.2
94915	TPSA	60.9
5032	Rotatable_Bond_Count	3
8223	TPSA	118
3082460	Molecular_Weight	360.31
10622871	Undefined_Bond_Stereo_Count	0
23430	Defined_Atom_Stereo_Count	0
74695	Isotope_Atom_Count	0
55329	Molecular_Weight	263.34
6918649	Undefined_Bond_Stereo_Count	0
65919626	Rotatable_Bond_Count	1
11083859	Non-hydrogen_Atom_Count	8
66673773	Molecular_Weight	114.08
885569	Isotope_Atom_Count	0
18954	Molecular_Weight	243.22
6852147	Undefined_Atom_Stereo_Count	0
24848232	Defined_Bond_Stereo_Count	0
5225	Exact_Mass	420.09912215
10206	Structure_Complexity	994
12785	Hydrogen_Bond_Donor_Count	2
742	Undefined_Atom_Stereo_Count	1
21610771	Molecular_Weight	117.10
74377607	Molecular_Weight	98.10
71961	Mono_Isotopic_Weight	493.16311939
9940312	TPSA	12
14298876	Molecular_Weight	86.14
6632	Defined_Bond_Stereo_Count	0
161664	Undefined_Atom_Stereo_Count	0
12479	XLogP3	1.2
10034577	Defined_Bond_Stereo_Count	0
90720950	Molecular_Weight	114.08
89770232	Non-hydrogen_Atom_Count	23
6433208	Undefined_Atom_Stereo_Count	0
5288365	Non-hydrogen_Atom_Count	18
6992086	Total_Formal_Charge	0
11402147	Defined_Bond_Stereo_Count	0
23533322	XLogP3-AA	2.3
165151	Molecular_Weight	306.21
96458	Defined_Atom_Stereo_Count	0
11171853	Mono_Isotopic_Weight	212.1107912
12871376	Mono_Isotopic_Weight	111.068413911
5489948	Non-hydrogen_Atom_Count	39
642975	Molecular_Weight	126.20
818256	Undefined_Bond_Stereo_Count	0
19502	Hydrogen_Bond_Donor_Count	0
9589	Non-hydrogen_Atom_Count	9
518455	Non-hydrogen_Atom_Count	8
6918412	Mono_Isotopic_Weight	871.36264935
85826247	Exact_Mass	114.068079557
12644714	Mono_Isotopic_Weight	112.052429494
5326566	Defined_Bond_Stereo_Count	0
54143259	Mono_Isotopic_Weight	98.073164938
5437	Covalent_Unit_Count	1
108144	Tautomer_Count	7
107349	Defined_Atom_Stereo_Count	0
155804760	Rotatable_Bond_Count	7
1549004	Isotope_Atom_Count	0
413536	Structure_Complexity	281
69070	Rotatable_Bond_Count	0
9800068	Covalent_Unit_Count	2
3037456	Total_Formal_Charge	0
63141	Defined_Bond_Stereo_Count	0
23279315	Exact_Mass	115.038176411
6262774	Total_Formal_Charge	0
3743617	Undefined_Bond_Stereo_Count	0
7761	Tautomer_Count	1
59704100	XLogP3-AA	0.4
4680	Tautomer_Count	5
54586288	Undefined_Atom_Stereo_Count	0
5169	Covalent_Unit_Count	1
7814	Covalent_Unit_Count	1
6437850	Covalent_Unit_Count	1
4420067	Non-hydrogen_Atom_Count	16
6100671	Exact_Mass	326.199428076
27491	Total_Formal_Charge	0
44623071	XLogP3-AA	0.6
21788	XLogP3-AA	5.6
131704245	Undefined_Atom_Stereo_Count	0
12285868	Total_Formal_Charge	0
91820194	Structure_Complexity	283
2779124	Exact_Mass	113.084063974
705472	Exact_Mass	326.07903816
44392124	Undefined_Bond_Stereo_Count	0
23262319	Isotope_Atom_Count	0
87280891	Isotope_Atom_Count	0
5978	Defined_Bond_Stereo_Count	0
18369938	Rotatable_Bond_Count	1
140979598	Defined_Bond_Stereo_Count	0
158366227	Defined_Bond_Stereo_Count	0
10254700	Structure_Complexity	506
177700	Covalent_Unit_Count	1
70111	Defined_Atom_Stereo_Count	0
7447	Hydrogen_Bond_Acceptor_Count	4
89364481	Undefined_Atom_Stereo_Count	3
154824336	Undefined_Bond_Stereo_Count	0
26058	Hydrogen_Bond_Acceptor_Count	0
136102	Non-hydrogen_Atom_Count	9
10460941	Molecular_Weight	584.7
99027	Covalent_Unit_Count	1
135410914	Hydrogen_Bond_Acceptor_Count	2
67533	Mono_Isotopic_Weight	338.1316542
441934	Molecular_Weight	933.1
449488	Undefined_Bond_Stereo_Count	0
60150330	Hydrogen_Bond_Acceptor_Count	2
11378469	Isotope_Atom_Count	0
4636	Structure_Complexity	345
65624	Isotope_Atom_Count	0
12406682	Hydrogen_Bond_Donor_Count	0
62823	Exact_Mass	175.12084340
91933845	Hydrogen_Bond_Acceptor_Count	7
6433110	Undefined_Atom_Stereo_Count	0
12432039	Mono_Isotopic_Weight	82.053098200
1201546	Molecular_Weight	133.20
5284	Rotatable_Bond_Count	3
119095779	Defined_Bond_Stereo_Count	0
85658	Molecular_Weight	336.5
2863	Undefined_Bond_Stereo_Count	0
59105109	Hydrogen_Bond_Acceptor_Count	6
16217359	Rotatable_Bond_Count	0
6420023	Isotope_Atom_Count	0
30945	Exact_Mass	98.036779430
66587385	Total_Formal_Charge	0
20226552	Exact_Mass	112.027277375
96291	Exact_Mass	158.167065321
11441307	XLogP3-AA	5.2
25217563	Undefined_Bond_Stereo_Count	0
10444765	Mono_Isotopic_Weight	249.172878976
45238	Undefined_Atom_Stereo_Count	2
3032732	Hydrogen_Bond_Donor_Count	0
16220109	Mono_Isotopic_Weight	182.130679813
12407	Tautomer_Count	1
12357829	Rotatable_Bond_Count	0
4284720	Structure_Complexity	315
78557	Hydrogen_Bond_Donor_Count	0
6420130	Isotope_Atom_Count	0
11115809	Structure_Complexity	2110
35717	Exact_Mass	221.08993720
13232	Defined_Bond_Stereo_Count	0
70003	TPSA	17.1
15118	Hydrogen_Bond_Donor_Count	1
20136205	Exact_Mass	118.099379685
121850	Defined_Bond_Stereo_Count	0
20276	TPSA	0
10898949	Hydrogen_Bond_Donor_Count	2
9901617	Molecular_Weight	320.3
151419	Covalent_Unit_Count	1
5152771	Exact_Mass	113.084063974
27200	Covalent_Unit_Count	1
16759173	Defined_Bond_Stereo_Count	0
11480401	Undefined_Bond_Stereo_Count	0
5326971	Covalent_Unit_Count	1
87155	Molecular_Weight	178.18
11344362	Covalent_Unit_Count	1
5353843	Defined_Bond_Stereo_Count	1
21484	Isotope_Atom_Count	0
13039	TPSA	55.1
8320	Defined_Bond_Stereo_Count	0
56832511	Mono_Isotopic_Weight	475.13996221
3949	Covalent_Unit_Count	1
20469	Total_Formal_Charge	0
12675	Exact_Mass	287.9808379
5282944	Total_Formal_Charge	0
100	Undefined_Bond_Stereo_Count	7
6530	Defined_Atom_Stereo_Count	0
10898017	Mono_Isotopic_Weight	768.19831894
54366638	Hydrogen_Bond_Donor_Count	0
40479693	Covalent_Unit_Count	1
71771808	Structure_Complexity	382
73399	Total_Formal_Charge	0
52949465	Undefined_Atom_Stereo_Count	0
135974	Tautomer_Count	1
72828705	Molecular_Weight	224.30
735319	Undefined_Bond_Stereo_Count	0
10935	Molecular_Weight	97.07
33498	Undefined_Bond_Stereo_Count	0
14307	Non-hydrogen_Atom_Count	11
19930642	Molecular_Weight	116.12
23643935	Hydrogen_Bond_Donor_Count	4
53328	Tautomer_Count	2
14251035	Non-hydrogen_Atom_Count	8
56927704	Defined_Atom_Stereo_Count	8
2384	Hydrogen_Bond_Acceptor_Count	4
644006	Undefined_Atom_Stereo_Count	0
2723816	Tautomer_Count	1
61055	Total_Formal_Charge	0
85328	Defined_Bond_Stereo_Count	0
9870652	Hydrogen_Bond_Acceptor_Count	6
18622	Undefined_Bond_Stereo_Count	0
443073	Molecular_Weight	119.12
44144517	Defined_Atom_Stereo_Count	1
17310	Defined_Bond_Stereo_Count	0
24972541	Total_Formal_Charge	0
1473603	Covalent_Unit_Count	1
454	Hydrogen_Bond_Acceptor_Count	1
10811	Covalent_Unit_Count	1
636908	Covalent_Unit_Count	1
66105	Molecular_Weight	354.4
87282052	Mono_Isotopic_Weight	103.038176411
52948200	Non-hydrogen_Atom_Count	29
139085145	Undefined_Bond_Stereo_Count	0
3016754	Undefined_Atom_Stereo_Count	0
1062	XLogP3-AA	5.3
68846936	Defined_Bond_Stereo_Count	0
4713	Tautomer_Count	5
20262675	Structure_Complexity	131
83976	Rotatable_Bond_Count	10
398513	Defined_Bond_Stereo_Count	0
104741	Undefined_Atom_Stereo_Count	1
11082	Molecular_Weight	216.26
36246	Isotope_Atom_Count	0
113415	XLogP3-AA	9
529031	Total_Formal_Charge	0
135618150	Hydrogen_Bond_Donor_Count	10
24153	Tautomer_Count	1
129508	TPSA	87.7
20058	Structure_Complexity	660
146159199	Non-hydrogen_Atom_Count	36
11954310	Rotatable_Bond_Count	11
9877343	Covalent_Unit_Count	1
69337	Isotope_Atom_Count	0
12417	Isotope_Atom_Count	0
16113753	Hydrogen_Bond_Acceptor_Count	5
141343693	Total_Formal_Charge	0
60155274	XLogP3-AA	1.8
3375	Molecular_Weight	410.5
140	Isotope_Atom_Count	0
692791	Structure_Complexity	395
91439	Undefined_Bond_Stereo_Count	0
123668737	TPSA	58.3
44577843	Covalent_Unit_Count	1
54947	Hydrogen_Bond_Donor_Count	2
3055174	TPSA	93.1
17455	Structure_Complexity	791
25607	Hydrogen_Bond_Acceptor_Count	0
13597081	Molecular_Weight	102.13
70662473	Defined_Atom_Stereo_Count	1
13464501	Rotatable_Bond_Count	2
82467716	Undefined_Bond_Stereo_Count	0
12742	Hydrogen_Bond_Donor_Count	0
111089	Hydrogen_Bond_Acceptor_Count	1
129747104	Total_Formal_Charge	0
8705	Hydrogen_Bond_Donor_Count	1
6869	Total_Formal_Charge	0
44310946	Hydrogen_Bond_Donor_Count	1
44630020	Rotatable_Bond_Count	11
437	Molecular_Weight	179.17
25244048	Exact_Mass	139.063328530
11443	Mono_Isotopic_Weight	174.042927438
76714	Defined_Bond_Stereo_Count	0
24846	Mono_Isotopic_Weight	164.01030715
44260118	Covalent_Unit_Count	1
69488026	Rotatable_Bond_Count	0
143847825	Isotope_Atom_Count	0
12940701	Undefined_Bond_Stereo_Count	0
3336	Structure_Complexity	303
144915389	Rotatable_Bond_Count	0
14939066	Defined_Atom_Stereo_Count	0
19883311	Molecular_Weight	102.14
19254	TPSA	75.3
23676225	Structure_Complexity	682
712421	Undefined_Atom_Stereo_Count	0
44560806	Molecular_Weight	348.4
3081185	Rotatable_Bond_Count	4
10258659	Rotatable_Bond_Count	7
6536	TPSA	32.7
77037484	Structure_Complexity	80.5
9554198	Hydrogen_Bond_Acceptor_Count	3
72758138	Non-hydrogen_Atom_Count	32
20521791	Defined_Atom_Stereo_Count	0
134694738	Hydrogen_Bond_Acceptor_Count	12
88674536	Total_Formal_Charge	0
130429734	Undefined_Bond_Stereo_Count	0
12998627	Undefined_Bond_Stereo_Count	0
285897	Total_Formal_Charge	0
45934481	Isotope_Atom_Count	0
5062	Structure_Complexity	559
53628842	Rotatable_Bond_Count	1
70680970	Molecular_Weight	472.5
71887	Undefined_Atom_Stereo_Count	0
9785	Hydrogen_Bond_Acceptor_Count	4
65280	Covalent_Unit_Count	1
71584544	Defined_Bond_Stereo_Count	0
6433588	Undefined_Atom_Stereo_Count	0
55515	Undefined_Bond_Stereo_Count	0
17852315	Non-hydrogen_Atom_Count	8
19928681	Hydrogen_Bond_Acceptor_Count	3
23327	Mono_Isotopic_Weight	147.05315777
46244454	Total_Formal_Charge	0
64212	Covalent_Unit_Count	1
8176	TPSA	26.3
137075	XLogP3	1.6
11463807	XLogP3-AA	3.6
19587	Defined_Atom_Stereo_Count	0
12151528	Structure_Complexity	56
133126687	Defined_Bond_Stereo_Count	0
10909503	Molecular_Weight	100.16
44318267	Covalent_Unit_Count	1
69401251	Undefined_Bond_Stereo_Count	0
49659	Defined_Bond_Stereo_Count	0
56658438	Hydrogen_Bond_Donor_Count	2
24678	Undefined_Bond_Stereo_Count	0
71751164	Undefined_Atom_Stereo_Count	0
57394598	Covalent_Unit_Count	1
4917	Molecular_Weight	373.9
53394791	Rotatable_Bond_Count	14
14640738	Rotatable_Bond_Count	0
19070	Structure_Complexity	52.8
68711	Defined_Atom_Stereo_Count	0
171995	Total_Formal_Charge	0
6518	XLogP3-AA	1.4
22641151	Mono_Isotopic_Weight	170.0862282
18684896	Total_Formal_Charge	0
1808	Undefined_Bond_Stereo_Count	0
53317123	Total_Formal_Charge	0
10993649	XLogP3-AA	1.1
87810	Undefined_Bond_Stereo_Count	0
72199539	Isotope_Atom_Count	0
715287	Exact_Mass	303.11538136
265776	TPSA	37.8
5284566	Isotope_Atom_Count	0
56680336	XLogP3-AA	3.7
90927	Defined_Atom_Stereo_Count	0
6603836	XLogP3-AA	7.6
53359	Hydrogen_Bond_Donor_Count	1
460603	Molecular_Weight	496.6
25271884	XLogP3-AA	2.2
2507	Undefined_Atom_Stereo_Count	1
27304	Undefined_Bond_Stereo_Count	0
161104	Non-hydrogen_Atom_Count	24
181287	Isotope_Atom_Count	0
736858	Non-hydrogen_Atom_Count	12
5311053	XLogP3	2.7
267493	Exact_Mass	259.05930578
114840	Structure_Complexity	317
147126464	Covalent_Unit_Count	1
10313077	Hydrogen_Bond_Acceptor_Count	1
73303	Exact_Mass	420.11372685
6433556	Rotatable_Bond_Count	17
5280906	Covalent_Unit_Count	1
54978	Non-hydrogen_Atom_Count	22
75640	Hydrogen_Bond_Acceptor_Count	0
11768526	Rotatable_Bond_Count	3
12704941	Exact_Mass	102.115698455
3033943	Undefined_Bond_Stereo_Count	0
59876594	Undefined_Atom_Stereo_Count	1
9828626	Defined_Atom_Stereo_Count	0
11412346	Molecular_Weight	97.16
6999987	Undefined_Bond_Stereo_Count	0
12687479	Undefined_Bond_Stereo_Count	0
41881	Non-hydrogen_Atom_Count	30
588	Defined_Bond_Stereo_Count	0
5284533	Total_Formal_Charge	0
20392	Isotope_Atom_Count	0
7524	Total_Formal_Charge	0
6386	TPSA	20.2
390658	Undefined_Bond_Stereo_Count	0
101050964	Structure_Complexity	1630
6992284	Undefined_Atom_Stereo_Count	0
46854655	TPSA	46.5
38989055	Isotope_Atom_Count	0
123415454	Total_Formal_Charge	0
312915	Exact_Mass	473.24135246
23663409	Undefined_Bond_Stereo_Count	0
21886	Hydrogen_Bond_Acceptor_Count	2
421876	Isotope_Atom_Count	0
120231	XLogP3	0.8
15587	Structure_Complexity	415
90479	Non-hydrogen_Atom_Count	18
16698	Undefined_Bond_Stereo_Count	0
23939	Rotatable_Bond_Count	0
2826731	Non-hydrogen_Atom_Count	18
39212	Mono_Isotopic_Weight	491.18793473
520217	Mono_Isotopic_Weight	299.07061935
163285334	XLogP3-AA	5.1
11093	Structure_Complexity	80.6
72518	Exact_Mass	528.16316171
2222	Covalent_Unit_Count	1
160666	Undefined_Atom_Stereo_Count	0
953	Structure_Complexity	200
6436605	Hydrogen_Bond_Donor_Count	1
53699081	Covalent_Unit_Count	1
37768	TPSA	332
16437056	Defined_Bond_Stereo_Count	0
194338	Rotatable_Bond_Count	4
139087394	Mono_Isotopic_Weight	492.18479
45266598	Exact_Mass	833.12577494
7150	Hydrogen_Bond_Acceptor_Count	2
2117002	Isotope_Atom_Count	0
84151	XLogP3	4.5
73148	Undefined_Bond_Stereo_Count	0
8508	Isotope_Atom_Count	0
10899282	Undefined_Bond_Stereo_Count	0
59973	Rotatable_Bond_Count	10
160523	Covalent_Unit_Count	3
9275	Structure_Complexity	260
3032396	Rotatable_Bond_Count	12
70111	Hydrogen_Bond_Acceptor_Count	2
11040724	Non-hydrogen_Atom_Count	10
91667752	Defined_Bond_Stereo_Count	0
10059810	Hydrogen_Bond_Donor_Count	3
13611193	Exact_Mass	108.093900383
8257	Exact_Mass	86.073164938
18711391	Undefined_Bond_Stereo_Count	0
5284627	Structure_Complexity	556
733511	Non-hydrogen_Atom_Count	24
55973	Rotatable_Bond_Count	0
266934	Non-hydrogen_Atom_Count	18
391144	Non-hydrogen_Atom_Count	36
19990	Structure_Complexity	108
149433	Mono_Isotopic_Weight	125.084063974
53317503	Mono_Isotopic_Weight	424.0859706
44578616	Isotope_Atom_Count	0
16490	Defined_Atom_Stereo_Count	9
3957	XLogP3	5.2
80486638	Isotope_Atom_Count	0
549294	Covalent_Unit_Count	1
10034991	Rotatable_Bond_Count	3
136364887	Molecular_Weight	112.09
12625760	Mono_Isotopic_Weight	98.073164938
14084036	XLogP3	0.2
5281771	Molecular_Weight	786.7
73292	Covalent_Unit_Count	2
62739	Rotatable_Bond_Count	3
71857	Hydrogen_Bond_Acceptor_Count	7
28557	Undefined_Bond_Stereo_Count	0
4916	Non-hydrogen_Atom_Count	21
84623	Isotope_Atom_Count	0
97994	Defined_Atom_Stereo_Count	0
54046888	TPSA	31.2
16404350	Hydrogen_Bond_Acceptor_Count	12
135398592	Undefined_Atom_Stereo_Count	0
2998	Molecular_Weight	293.4
6447131	Molecular_Weight	810.4
7056	XLogP3	4.1
88483	Undefined_Bond_Stereo_Count	0
141315890	Defined_Bond_Stereo_Count	0
105426997	Exact_Mass	112.088815002
60768	TPSA	45.9
735940	Non-hydrogen_Atom_Count	10
5002	Hydrogen_Bond_Acceptor_Count	5
483407	Molecular_Weight	513.7
57357187	Non-hydrogen_Atom_Count	18
547696	XLogP3-AA	1.6
4151	Mono_Isotopic_Weight	318.06742811
5464344	Structure_Complexity	590
3495982	Mono_Isotopic_Weight	250.07759887
135413496	Undefined_Atom_Stereo_Count	0
21120209	Hydrogen_Bond_Donor_Count	1
15442	Rotatable_Bond_Count	1
2734941	Rotatable_Bond_Count	4
2733532	Hydrogen_Bond_Acceptor_Count	6
295965	Isotope_Atom_Count	0
43678	Non-hydrogen_Atom_Count	29
11298500	Undefined_Atom_Stereo_Count	0
53476	Molecular_Weight	251.06
64772	Total_Formal_Charge	0
83971	Molecular_Weight	893.0
135542158	Isotope_Atom_Count	0
49862517	TPSA	70.7
65562	Covalent_Unit_Count	1
13450501	Rotatable_Bond_Count	1
40087	Undefined_Atom_Stereo_Count	0
11325	Hydrogen_Bond_Acceptor_Count	2
12642	Undefined_Atom_Stereo_Count	1
124087	Hydrogen_Bond_Donor_Count	1
5384876	Defined_Atom_Stereo_Count	0
15347	Defined_Bond_Stereo_Count	0
9855448	Molecular_Weight	85.10
24434	Exact_Mass	100.95152435
66545759	XLogP3-AA	1.3
750190	TPSA	78.2
10313382	Hydrogen_Bond_Acceptor_Count	6
34296	Hydrogen_Bond_Acceptor_Count	1
58411	Total_Formal_Charge	0
5284382	Undefined_Atom_Stereo_Count	0
6950286	Covalent_Unit_Count	1
5363097	Total_Formal_Charge	0
261166	Defined_Bond_Stereo_Count	0
15586	Hydrogen_Bond_Donor_Count	0
86593	Defined_Bond_Stereo_Count	0
44273397	XLogP3-AA	4
5312125	Isotope_Atom_Count	0
72207871	Covalent_Unit_Count	1
446284	Structure_Complexity	398
611945	Total_Formal_Charge	0
517065	Exact_Mass	444.21576897
4011	Isotope_Atom_Count	0
5102582	Total_Formal_Charge	1
138041	Defined_Bond_Stereo_Count	0
91199926	Non-hydrogen_Atom_Count	8
15116	TPSA	45.3
3265	Isotope_Atom_Count	0
10461508	XLogP3-AA	4.6
1967	TPSA	54.4
42601552	Isotope_Atom_Count	0
449293	Total_Formal_Charge	0
91177201	Total_Formal_Charge	0
397	Undefined_Bond_Stereo_Count	0
603946	Hydrogen_Bond_Acceptor_Count	3
908617	Defined_Bond_Stereo_Count	0
5361	TPSA	534
21061878	Non-hydrogen_Atom_Count	8
57516744	Undefined_Atom_Stereo_Count	0
9593	Undefined_Bond_Stereo_Count	0
14660056	Molecular_Weight	102.13
38347	Structure_Complexity	253
2724054	Defined_Atom_Stereo_Count	0
10486	Defined_Bond_Stereo_Count	0
9128	Defined_Atom_Stereo_Count	0
2303	Undefined_Bond_Stereo_Count	0
12082259	Undefined_Bond_Stereo_Count	0
6450830	Rotatable_Bond_Count	8
13526	Exact_Mass	230.02002368
4855	Total_Formal_Charge	0
69173085	Exact_Mass	99.104799419
42552711	Exact_Mass	342.11621151
637584	Defined_Bond_Stereo_Count	0
23349	Undefined_Bond_Stereo_Count	0
11457675	Defined_Atom_Stereo_Count	0
25124826	Molecular_Weight	444.5
26091	Hydrogen_Bond_Acceptor_Count	3
4787	TPSA	64.5
20056625	Structure_Complexity	614
68210102	Defined_Bond_Stereo_Count	0
23418	Mono_Isotopic_Weight	274.14297583
10620213	TPSA	104
24892867	TPSA	43.1
88808	Non-hydrogen_Atom_Count	21
42231	Tautomer_Count	4
16129620	TPSA	1470
6917793	Molecular_Weight	408.5
3015210	Hydrogen_Bond_Acceptor_Count	2
6857537	Defined_Atom_Stereo_Count	2
25142176	Hydrogen_Bond_Acceptor_Count	6
147895	Defined_Bond_Stereo_Count	0
439739	Molecular_Weight	346.5
72326	Defined_Atom_Stereo_Count	10
129712967	Defined_Bond_Stereo_Count	0
124143	Undefined_Bond_Stereo_Count	0
11684684	Molecular_Weight	496.0
14671576	Hydrogen_Bond_Donor_Count	0
5311360	Undefined_Atom_Stereo_Count	0
24341	Non-hydrogen_Atom_Count	2
11539562	Rotatable_Bond_Count	4
4107	Non-hydrogen_Atom_Count	17
40391	Hydrogen_Bond_Donor_Count	0
23729878	TPSA	72.6
13225428	Rotatable_Bond_Count	2
15174929	Mono_Isotopic_Weight	404.19473662
29494	Defined_Atom_Stereo_Count	0
21972128	Hydrogen_Bond_Donor_Count	1
81110	Undefined_Bond_Stereo_Count	0
24781	Total_Formal_Charge	0
5005498	Defined_Bond_Stereo_Count	0
700489	TPSA	74.9
9961	Exact_Mass	124.03358575
54375073	Hydrogen_Bond_Acceptor_Count	1
22198	TPSA	29.3
127382	Isotope_Atom_Count	0
6428543	XLogP3-AA	1.7
11116296	Undefined_Atom_Stereo_Count	2
12405	Hydrogen_Bond_Acceptor_Count	0
17111	TPSA	29.5
42163	Rotatable_Bond_Count	6
133136	TPSA	59
66537	Non-hydrogen_Atom_Count	16
23663953	Mono_Isotopic_Weight	458.1043004
12905096	Covalent_Unit_Count	1
139	Covalent_Unit_Count	1
68186	Non-hydrogen_Atom_Count	28
13625	Defined_Bond_Stereo_Count	0
78160	Isotope_Atom_Count	0
21619272	Defined_Atom_Stereo_Count	0
22506613	Total_Formal_Charge	0
39	XLogP3-AA	0.6
135424789	Hydrogen_Bond_Acceptor_Count	2
4850	Covalent_Unit_Count	1
15209693	Covalent_Unit_Count	1
101205708	Rotatable_Bond_Count	62
28523	Total_Formal_Charge	0
67259771	Rotatable_Bond_Count	9
60860	Covalent_Unit_Count	1
5283381	Defined_Atom_Stereo_Count	0
6419902	Rotatable_Bond_Count	11
70207914	Undefined_Atom_Stereo_Count	0
3349	Rotatable_Bond_Count	1
10290773	Hydrogen_Bond_Donor_Count	2
101815861	TPSA	59.5
9949812	Total_Formal_Charge	0
72999858	Mono_Isotopic_Weight	458.30322444
7730	Non-hydrogen_Atom_Count	9
54434340	Isotope_Atom_Count	0
973350	Hydrogen_Bond_Donor_Count	0
5284604	TPSA	70
7169	Non-hydrogen_Atom_Count	15
9905875	Mono_Isotopic_Weight	338.11879497
69229	Mono_Isotopic_Weight	182.06914219
136662680	Total_Formal_Charge	0
59227	Exact_Mass	315.16568559
2723942	Undefined_Bond_Stereo_Count	0
10931	Isotope_Atom_Count	0
9570327	Covalent_Unit_Count	1
6484	Undefined_Bond_Stereo_Count	0
70563	Mono_Isotopic_Weight	283.1339066
71541098	Exact_Mass	255.0581549
9915743	Undefined_Atom_Stereo_Count	0
88937798	Defined_Bond_Stereo_Count	0
59503407	Hydrogen_Bond_Donor_Count	5
72221005	Hydrogen_Bond_Acceptor_Count	3
47866	Mono_Isotopic_Weight	166.09669434
6529	Hydrogen_Bond_Donor_Count	0
16129706	Defined_Bond_Stereo_Count	0
178080	Molecular_Weight	361.4
107656	Exact_Mass	592.3059301
10329304	Exact_Mass	125.872641
54041	Exact_Mass	276.183778013
25182616	Defined_Bond_Stereo_Count	0
45878	Rotatable_Bond_Count	4
415984	TPSA	52.6
70722	Structure_Complexity	114
5284554	Exact_Mass	1059.74333626
12220383	Hydrogen_Bond_Acceptor_Count	1
21679899	Isotope_Atom_Count	0
134250232	XLogP3-AA	0.6
6652	Undefined_Atom_Stereo_Count	1
76035516	Defined_Bond_Stereo_Count	0
439178	Defined_Bond_Stereo_Count	0
61530	Undefined_Atom_Stereo_Count	6
13707491	Total_Formal_Charge	0
102306506	Defined_Bond_Stereo_Count	1
3794	Defined_Bond_Stereo_Count	0
139079814	Structure_Complexity	253
13487238	Defined_Atom_Stereo_Count	0
9818540	Tautomer_Count	3
693167	TPSA	52.8
54360	TPSA	35.9
5405	Total_Formal_Charge	0
102538	Hydrogen_Bond_Donor_Count	0
44154280	Defined_Bond_Stereo_Count	0
10866300	Structure_Complexity	101
701651	TPSA	58
30914	Non-hydrogen_Atom_Count	9
70034662	Structure_Complexity	74
3017320	Defined_Bond_Stereo_Count	0
11675	Rotatable_Bond_Count	1
13573631	Rotatable_Bond_Count	3
66525	XLogP3-AA	5.9
67126	Defined_Atom_Stereo_Count	0
91236903	Covalent_Unit_Count	1
1376	Defined_Bond_Stereo_Count	0
60946	Tautomer_Count	1
98397	Structure_Complexity	294
12637126	Mono_Isotopic_Weight	113.047678466
5508	Covalent_Unit_Count	1
444474	Hydrogen_Bond_Acceptor_Count	4
1899	Structure_Complexity	396
11381	Hydrogen_Bond_Acceptor_Count	1
6288	Defined_Atom_Stereo_Count	2
101094784	Mono_Isotopic_Weight	384.19367399
11346	Hydrogen_Bond_Acceptor_Count	3
104607	Defined_Atom_Stereo_Count	0
155144825	Total_Formal_Charge	0
641245	Undefined_Bond_Stereo_Count	0
86295112	Molecular_Weight	340.4
11250	Molecular_Weight	84.16
348	Rotatable_Bond_Count	5
6917793	TPSA	176
3017295	Structure_Complexity	110
902	Undefined_Bond_Stereo_Count	0
158800	Defined_Bond_Stereo_Count	0
60984	Undefined_Bond_Stereo_Count	0
441130	Rotatable_Bond_Count	5
8551	Rotatable_Bond_Count	1
656911	Tautomer_Count	3
3665684	Hydrogen_Bond_Donor_Count	0
5746249	Undefined_Bond_Stereo_Count	0
51132	Mono_Isotopic_Weight	132.078644241
83478541	TPSA	26.3
34755	Exact_Mass	398.13723900
135445761	Hydrogen_Bond_Donor_Count	1
92136216	Hydrogen_Bond_Acceptor_Count	14
19101063	Defined_Atom_Stereo_Count	0
53631403	Covalent_Unit_Count	1
101744	XLogP3	2.7
551185	Molecular_Weight	100.16
7058062	Structure_Complexity	128
84063982	TPSA	33
17235	Defined_Atom_Stereo_Count	0
86007746	Defined_Bond_Stereo_Count	0
9865554	Total_Formal_Charge	0
17756	Covalent_Unit_Count	1
18757414	Covalent_Unit_Count	1
2650	Exact_Mass	546.09913941
39752	Tautomer_Count	2
57445155	Undefined_Bond_Stereo_Count	0
79491	Undefined_Atom_Stereo_Count	0
91100506	Rotatable_Bond_Count	1
639661	Exact_Mass	84.093900383
6004	Total_Formal_Charge	0
69341027	Hydrogen_Bond_Donor_Count	2
13811	Mono_Isotopic_Weight	526.28768825
108002	Structure_Complexity	820
14646171	Defined_Bond_Stereo_Count	0
5462814	Covalent_Unit_Count	1
457831	XLogP3-AA	0.6
24848483	Molecular_Weight	497.9
11048	Defined_Bond_Stereo_Count	0
22421116	Hydrogen_Bond_Acceptor_Count	1
53807546	Undefined_Atom_Stereo_Count	0
91315907	Structure_Complexity	82.2
5231297	Molecular_Weight	337.4
70122	Undefined_Atom_Stereo_Count	0
21349800	Defined_Bond_Stereo_Count	0
9805776	Exact_Mass	494.16239112
6918025	Mono_Isotopic_Weight	1190.50414357
1118	Rotatable_Bond_Count	0
71346	Exact_Mass	454.17737247
99564	Tautomer_Count	1
37723	Tautomer_Count	1
5284656	Exact_Mass	176.083729621
118733511	Rotatable_Bond_Count	4
130025208	XLogP3-AA	1.5
78521	Hydrogen_Bond_Donor_Count	3
151175776	Total_Formal_Charge	0
4961823	Exact_Mass	102.079312947
6016	TPSA	28.5
6917778	TPSA	46.3
2723770	Non-hydrogen_Atom_Count	8
560	Undefined_Atom_Stereo_Count	2
404566	Non-hydrogen_Atom_Count	23
68414798	Covalent_Unit_Count	3
151011	Covalent_Unit_Count	1
65773	XLogP3-AA	2
14181	Covalent_Unit_Count	1
53465918	Molecular_Weight	410.5
30819	Hydrogen_Bond_Donor_Count	4
6618	Hydrogen_Bond_Donor_Count	2
24642	Defined_Atom_Stereo_Count	0
17842350	Undefined_Bond_Stereo_Count	0
11319053	Undefined_Bond_Stereo_Count	0
253350	Isotope_Atom_Count	0
45270802	Exact_Mass	531.25088995
129746471	Undefined_Atom_Stereo_Count	1
50163	TPSA	121
57484	Defined_Bond_Stereo_Count	0
3100	Undefined_Bond_Stereo_Count	0
24883445	Rotatable_Bond_Count	0
81450	Undefined_Bond_Stereo_Count	0
18521191	Exact_Mass	97.089149355
135398671	Defined_Bond_Stereo_Count	1
101813505	Mono_Isotopic_Weight	363.03549594
439207	Defined_Atom_Stereo_Count	25
194647	Mono_Isotopic_Weight	495.16014201
136863	Non-hydrogen_Atom_Count	7
15565287	Molecular_Weight	108.18
129858712	Defined_Bond_Stereo_Count	0
107694	TPSA	101
70346812	Defined_Bond_Stereo_Count	0
1878	Exact_Mass	370.17802393
643447	Covalent_Unit_Count	1
10351178	Isotope_Atom_Count	0
561780	Structure_Complexity	118
54581904	Covalent_Unit_Count	1
10564696	Isotope_Atom_Count	0
39521	Molecular_Weight	249.31
83644	Defined_Bond_Stereo_Count	0
156144	Mono_Isotopic_Weight	340.0269143
2712	Undefined_Bond_Stereo_Count	0
137698364	Defined_Bond_Stereo_Count	2
809629	Mono_Isotopic_Weight	321.04710720
60196405	Hydrogen_Bond_Acceptor_Count	5
14819	Rotatable_Bond_Count	0
60857	Defined_Atom_Stereo_Count	1
118613234	Rotatable_Bond_Count	1
642157	Rotatable_Bond_Count	0
2775641	Defined_Atom_Stereo_Count	0
11682247	XLogP3-AA	3.4
134688930	Undefined_Bond_Stereo_Count	0
6971018	Undefined_Atom_Stereo_Count	0
69342023	TPSA	76.7
12544003	Non-hydrogen_Atom_Count	7
165542	Total_Formal_Charge	0
29742	Hydrogen_Bond_Donor_Count	2
64587	Tautomer_Count	2
136051299	TPSA	149
123827359	TPSA	54.4
45214	Hydrogen_Bond_Donor_Count	1
22764074	Isotope_Atom_Count	0
17343	Exact_Mass	261.893590
19601937	Rotatable_Bond_Count	26
84682	Isotope_Atom_Count	0
79882	Exact_Mass	87.104799419
94377	Structure_Complexity	190
72734319	Isotope_Atom_Count	0
13035	Defined_Atom_Stereo_Count	0
4033	Undefined_Atom_Stereo_Count	0
11170931	Defined_Bond_Stereo_Count	0
417753	Non-hydrogen_Atom_Count	32
66992840	Total_Formal_Charge	0
57486971	Undefined_Atom_Stereo_Count	0
398744	Covalent_Unit_Count	1
129873330	Molecular_Weight	98.10
45040472	Undefined_Bond_Stereo_Count	0
58098237	Undefined_Bond_Stereo_Count	0
54760133	Hydrogen_Bond_Acceptor_Count	7
441477	Mono_Isotopic_Weight	179.07937252
19540	TPSA	0
10290728	Hydrogen_Bond_Acceptor_Count	1
135678081	Mono_Isotopic_Weight	556.14312602
4392	Hydrogen_Bond_Donor_Count	4
43375	Defined_Bond_Stereo_Count	0
5281915	Rotatable_Bond_Count	31
13524524	Defined_Atom_Stereo_Count	0
146356470	Defined_Bond_Stereo_Count	0
3055174	Exact_Mass	468.23234512
18407	Molecular_Weight	130.14
154101	TPSA	38.3
136183446	Undefined_Bond_Stereo_Count	0
153991111	Undefined_Atom_Stereo_Count	1
14967651	Undefined_Bond_Stereo_Count	0
6456015	Defined_Atom_Stereo_Count	1
2480	Molecular_Weight	306.4
274418	Mono_Isotopic_Weight	124.052429494
14140995	Hydrogen_Bond_Donor_Count	0
92131818	Isotope_Atom_Count	0
22408669	Isotope_Atom_Count	0
17118	TPSA	58
5256168	Tautomer_Count	1
526715	Hydrogen_Bond_Acceptor_Count	5
12959039	Total_Formal_Charge	0
59072033	Undefined_Bond_Stereo_Count	0
13694	Hydrogen_Bond_Acceptor_Count	0
139243813	Defined_Atom_Stereo_Count	0
101609	Undefined_Bond_Stereo_Count	0
21760452	Hydrogen_Bond_Acceptor_Count	3
15981895	Isotope_Atom_Count	0
16070039	Non-hydrogen_Atom_Count	29
12702016	Hydrogen_Bond_Acceptor_Count	1
20591	XLogP3-AA	1.1
25201794	Hydrogen_Bond_Donor_Count	0
16136912	Defined_Atom_Stereo_Count	22
53954226	Mono_Isotopic_Weight	169.063997236
15056663	Non-hydrogen_Atom_Count	17
175988	Total_Formal_Charge	0
505	Hydrogen_Bond_Acceptor_Count	11
10044	Exact_Mass	100.125200510
5619	Defined_Atom_Stereo_Count	0
86851	Structure_Complexity	121
67413	TPSA	284
8631	Defined_Bond_Stereo_Count	0
18212	Defined_Atom_Stereo_Count	0
2733531	Total_Formal_Charge	0
5353510	TPSA	201
12478167	Rotatable_Bond_Count	2
98808	Undefined_Atom_Stereo_Count	0
72950888	Hydrogen_Bond_Acceptor_Count	10
35331	Structure_Complexity	300
56928061	Defined_Bond_Stereo_Count	0
94398	Isotope_Atom_Count	0
131744	XLogP3-AA	0
10866310	Defined_Atom_Stereo_Count	0
9833407	Defined_Atom_Stereo_Count	7
78106	Tautomer_Count	1
225	Hydrogen_Bond_Acceptor_Count	2
9864202	Structure_Complexity	490
71584056	Exact_Mass	455.19911098
52993227	Hydrogen_Bond_Acceptor_Count	9
53316386	Undefined_Atom_Stereo_Count	0
57992039	Covalent_Unit_Count	1
25588	Non-hydrogen_Atom_Count	15
156618179	Exact_Mass	342.11621151
118704759	Defined_Atom_Stereo_Count	1
17168	Non-hydrogen_Atom_Count	17
141959525	Hydrogen_Bond_Acceptor_Count	1
119196	Tautomer_Count	81
72296	Undefined_Bond_Stereo_Count	1
34636	Hydrogen_Bond_Acceptor_Count	5
566032	XLogP3-AA	2.4
75310475	Isotope_Atom_Count	0
359	Covalent_Unit_Count	1
13034936	Hydrogen_Bond_Donor_Count	1
18730043	Non-hydrogen_Atom_Count	7
11286230	Exact_Mass	925.50349992
25143624	Tautomer_Count	10
7568485	TPSA	9.2
163940225	Non-hydrogen_Atom_Count	8
669570	Hydrogen_Bond_Acceptor_Count	3
12097423	Defined_Bond_Stereo_Count	0
10153996	Hydrogen_Bond_Donor_Count	1
75466425	Exact_Mass	294.173213330
15541	TPSA	130
49836020	Exact_Mass	806.42908786
54307258	Mono_Isotopic_Weight	102.079312947
24455	Undefined_Atom_Stereo_Count	0
656673	Total_Formal_Charge	0
12639	Undefined_Bond_Stereo_Count	0
447021	Molecular_Weight	339.4
447905	Non-hydrogen_Atom_Count	41
95934	Non-hydrogen_Atom_Count	22
5310979	TPSA	138
7251	Isotope_Atom_Count	0
19004	Undefined_Atom_Stereo_Count	1
63141	Tautomer_Count	4
75606	Structure_Complexity	80.2
181511	Undefined_Bond_Stereo_Count	0
10498206	Covalent_Unit_Count	1
66823783	Exact_Mass	132.043596145
145994872	Hydrogen_Bond_Donor_Count	2
101497	Undefined_Bond_Stereo_Count	0
124328800	Covalent_Unit_Count	1
516910	TPSA	52.5
20277171	Molecular_Weight	125.21
517414	Structure_Complexity	231
9567537	TPSA	176
53396299	Defined_Atom_Stereo_Count	0
5329106	Molecular_Weight	396.5
7594067	Structure_Complexity	458
9911502	Mono_Isotopic_Weight	447.0689409
5305	Non-hydrogen_Atom_Count	29
59059041	Covalent_Unit_Count	1
67361	Hydrogen_Bond_Acceptor_Count	3
62683	Structure_Complexity	2
12298391	Structure_Complexity	122
5353897	Defined_Atom_Stereo_Count	0
142765305	Undefined_Atom_Stereo_Count	0
21608018	Isotope_Atom_Count	0
74080	Mono_Isotopic_Weight	106.053098200
146159982	Undefined_Bond_Stereo_Count	0
9604654	Covalent_Unit_Count	1
129009953	Defined_Bond_Stereo_Count	0
20723390	Rotatable_Bond_Count	0
10022229	Defined_Bond_Stereo_Count	0
137118	Molecular_Weight	96.17
49806720	Defined_Bond_Stereo_Count	0
4343483	Mono_Isotopic_Weight	109.9926871
5489013	Mono_Isotopic_Weight	313.16779360
23278715	Structure_Complexity	872
15032818	Molecular_Weight	106.16
80837	Mono_Isotopic_Weight	706.13954689
4345065	Exact_Mass	872.44457755
25137911	Hydrogen_Bond_Donor_Count	0
8679	TPSA	12
3544	Structure_Complexity	339
643732	Structure_Complexity	494
269842	Structure_Complexity	362
99645347	Structure_Complexity	415
13332726	Structure_Complexity	123
12285873	Structure_Complexity	151
2734117	Hydrogen_Bond_Donor_Count	0
24229456	Exact_Mass	108.032362755
3081317	Covalent_Unit_Count	1
62902	Molecular_Weight	144.21
11346	Molecular_Weight	165.15
24883735	XLogP3-AA	3.6
24871329	Rotatable_Bond_Count	4
77857	Structure_Complexity	316
12506259	Exact_Mass	115.063328530
69671	Rotatable_Bond_Count	0
11263485	Structure_Complexity	53.5
639288	Defined_Bond_Stereo_Count	0
22328014	Mono_Isotopic_Weight	114.00654193
261407	Total_Formal_Charge	0
7015	Non-hydrogen_Atom_Count	13
712421	Isotope_Atom_Count	0
11712649	Defined_Atom_Stereo_Count	0
1140	Non-hydrogen_Atom_Count	7
89311461	TPSA	46.1
41124	Exact_Mass	140.120115130
44629600	Rotatable_Bond_Count	12
517859	Non-hydrogen_Atom_Count	8
70751	Isotope_Atom_Count	0
35763	Defined_Atom_Stereo_Count	0
44	Molecular_Weight	118.04
443604	Rotatable_Bond_Count	10
898	Exact_Mass	301.05626809
88464430	Non-hydrogen_Atom_Count	8
14417887	Undefined_Bond_Stereo_Count	0
12228	Undefined_Bond_Stereo_Count	0
2762864	Isotope_Atom_Count	0
5318591	Molecular_Weight	418.4
444021	Isotope_Atom_Count	0
131839562	XLogP3-AA	3.4
4113127	Exact_Mass	104.094963011
84354	Exact_Mass	368.962275
7289	Mono_Isotopic_Weight	127.9795702
17816433	Structure_Complexity	74.2
1142	Rotatable_Bond_Count	23
15034112	Isotope_Atom_Count	0
886088	Mono_Isotopic_Weight	338.0921014
11961423	Hydrogen_Bond_Acceptor_Count	2
61680	Defined_Bond_Stereo_Count	0
657055	Rotatable_Bond_Count	1
46204396	Defined_Atom_Stereo_Count	0
5784745	Defined_Bond_Stereo_Count	1
25141092	Isotope_Atom_Count	0
40781	Hydrogen_Bond_Donor_Count	0
135903069	Mono_Isotopic_Weight	891.01310344
7716	XLogP3	7.7
919	Structure_Complexity	265
13649426	Molecular_Weight	248.75
3916	Undefined_Atom_Stereo_Count	1
12590456	Hydrogen_Bond_Donor_Count	1
65770	Undefined_Atom_Stereo_Count	1
54561127	Hydrogen_Bond_Donor_Count	1
446308	Covalent_Unit_Count	1
9949848	Exact_Mass	340.240230259
59283	Rotatable_Bond_Count	2
8437	Total_Formal_Charge	0
24759094	Non-hydrogen_Atom_Count	32
11587	Rotatable_Bond_Count	2
53846435	Exact_Mass	416.32904526
23034	Undefined_Bond_Stereo_Count	0
3437714	XLogP3-AA	2.3
175945	Covalent_Unit_Count	1
483	Isotope_Atom_Count	0
18779923	XLogP3	0.3
11673085	Mono_Isotopic_Weight	231.0581549
231040	Defined_Atom_Stereo_Count	0
6507255	Undefined_Bond_Stereo_Count	0
123755	Molecular_Weight	376.3
126843179	Defined_Bond_Stereo_Count	2
5464436	Exact_Mass	389.14993230
12731218	Defined_Bond_Stereo_Count	0
984821	Mono_Isotopic_Weight	395.13688739
96373	Undefined_Bond_Stereo_Count	0
66972027	Hydrogen_Bond_Acceptor_Count	2
60196321	Mono_Isotopic_Weight	388.1917559
94021	Mono_Isotopic_Weight	212.14124450
141489386	Mono_Isotopic_Weight	112.027277375
3080825	Defined_Bond_Stereo_Count	0
17392	Defined_Bond_Stereo_Count	0
170231	Structure_Complexity	408
5778	Defined_Atom_Stereo_Count	0
4525487	Mono_Isotopic_Weight	146.04533274
721	Total_Formal_Charge	0
146461	XLogP3	2.2
58752	Defined_Bond_Stereo_Count	0
656832	Covalent_Unit_Count	2
5709759	Undefined_Bond_Stereo_Count	0
15050	Defined_Atom_Stereo_Count	0
86287519	Defined_Bond_Stereo_Count	1
71643	TPSA	32.6
140557163	Undefined_Atom_Stereo_Count	2
6326719	Defined_Atom_Stereo_Count	5
3996620	Covalent_Unit_Count	1
91810695	Total_Formal_Charge	0
82400	Hydrogen_Bond_Acceptor_Count	12
12882493	Exact_Mass	112.088815002
60196374	Covalent_Unit_Count	2
44348	Undefined_Atom_Stereo_Count	0
638552	TPSA	33
91580832	Hydrogen_Bond_Donor_Count	2
80710	Mono_Isotopic_Weight	585.02524542
11715766	Defined_Bond_Stereo_Count	0
129319344	Exact_Mass	1098.63148185
160157	Non-hydrogen_Atom_Count	13
91196148	Structure_Complexity	2330
54385745	Covalent_Unit_Count	1
5289143	Rotatable_Bond_Count	24
11248738	Rotatable_Bond_Count	14
12021	Non-hydrogen_Atom_Count	6
2284259	TPSA	54.4
12395962	Undefined_Atom_Stereo_Count	0
449284	Non-hydrogen_Atom_Count	29
4594	Molecular_Weight	345.4
12699170	Undefined_Atom_Stereo_Count	3
36921	Rotatable_Bond_Count	5
2766847	Covalent_Unit_Count	1
23712863	Exact_Mass	105.1426841
6432512	Hydrogen_Bond_Acceptor_Count	5
65263	Mono_Isotopic_Weight	622.44478003
1481	Mono_Isotopic_Weight	366.055628
6921821	Rotatable_Bond_Count	3
71249967	Covalent_Unit_Count	1
706285	Defined_Atom_Stereo_Count	0
3279	Defined_Bond_Stereo_Count	0
6168933	Hydrogen_Bond_Acceptor_Count	8
121710	Non-hydrogen_Atom_Count	8
96029	Molecular_Weight	175.14
999	Hydrogen_Bond_Donor_Count	1
54725318	TPSA	113
23674995	Non-hydrogen_Atom_Count	33
8827	Total_Formal_Charge	0
87329230	Hydrogen_Bond_Donor_Count	1
86054107	Hydrogen_Bond_Donor_Count	0
57406717	Defined_Atom_Stereo_Count	0
11286436	Molecular_Weight	73.09
5364712	Hydrogen_Bond_Donor_Count	1
18717626	Structure_Complexity	50
157820065	Total_Formal_Charge	0
137018	Total_Formal_Charge	0
3933	Mono_Isotopic_Weight	649.7822
91224654	Total_Formal_Charge	0
153270	Tautomer_Count	48
35784	Defined_Bond_Stereo_Count	0
86308574	Undefined_Bond_Stereo_Count	0
638105	Undefined_Bond_Stereo_Count	0
9835049	Defined_Bond_Stereo_Count	0
494023	Hydrogen_Bond_Donor_Count	8
10866290	Molecular_Weight	111.18
12579403	Rotatable_Bond_Count	1
17517	Defined_Atom_Stereo_Count	0
40185	Covalent_Unit_Count	1
73714	Molecular_Weight	82.14
22129037	Non-hydrogen_Atom_Count	8
72924	Hydrogen_Bond_Acceptor_Count	3
16083167	Exact_Mass	338.99670
9887304	Rotatable_Bond_Count	3
9543090	Isotope_Atom_Count	0
158693	Mono_Isotopic_Weight	168.078644241
8553	Undefined_Bond_Stereo_Count	0
6429278	Non-hydrogen_Atom_Count	8
71587288	Hydrogen_Bond_Donor_Count	1
16218636	Undefined_Atom_Stereo_Count	0
10636633	Isotope_Atom_Count	0
6918407	Rotatable_Bond_Count	12
5708528	Rotatable_Bond_Count	0
41206	Non-hydrogen_Atom_Count	18
82505	Defined_Atom_Stereo_Count	0
4735	Non-hydrogen_Atom_Count	25
81653	Mono_Isotopic_Weight	101.120449483
59107469	Total_Formal_Charge	0
17412	Defined_Bond_Stereo_Count	0
67749	XLogP3-AA	1.6
12727651	Defined_Atom_Stereo_Count	0
1546	XLogP3	0.8
136307	Defined_Bond_Stereo_Count	0
59167199	Hydrogen_Bond_Donor_Count	0
26956	Total_Formal_Charge	0
9821849	Structure_Complexity	739
9889823	Undefined_Atom_Stereo_Count	0
19604	Non-hydrogen_Atom_Count	18
63992	Undefined_Atom_Stereo_Count	1
68552	Isotope_Atom_Count	0
3452	Tautomer_Count	1
6917779	Molecular_Weight	246.35
121231162	Defined_Atom_Stereo_Count	3
13364	Undefined_Atom_Stereo_Count	0
90931176	Molecular_Weight	96.17
25875	Total_Formal_Charge	0
6918257	Defined_Atom_Stereo_Count	0
83151608	Undefined_Bond_Stereo_Count	0
135491830	Undefined_Bond_Stereo_Count	0
18542107	Covalent_Unit_Count	1
11593	Isotope_Atom_Count	0
688145	Defined_Atom_Stereo_Count	0
129696925	Mono_Isotopic_Weight	685.38356257
35076	Non-hydrogen_Atom_Count	19
927	Total_Formal_Charge	0
17691	Exact_Mass	96.057514874
83467	Hydrogen_Bond_Donor_Count	2
198790	Mono_Isotopic_Weight	371.94327
5363548	Rotatable_Bond_Count	11
53563	Non-hydrogen_Atom_Count	19
71645	Exact_Mass	242.094294304
2802	Defined_Atom_Stereo_Count	0
20474	Defined_Bond_Stereo_Count	0
441289	Undefined_Atom_Stereo_Count	0
65536	Total_Formal_Charge	0
68016611	Covalent_Unit_Count	1
13207	Undefined_Atom_Stereo_Count	0
121207425	TPSA	26.3
69537	Isotope_Atom_Count	0
10330781	XLogP3	0.9
254081	Hydrogen_Bond_Donor_Count	0
339213	Undefined_Atom_Stereo_Count	0
26859	Covalent_Unit_Count	1
31336	Defined_Bond_Stereo_Count	0
153812233	Defined_Bond_Stereo_Count	0
643968	Non-hydrogen_Atom_Count	17
5484444	XLogP3	2.9
11224214	Non-hydrogen_Atom_Count	32
4289	Covalent_Unit_Count	1
115763542	Undefined_Bond_Stereo_Count	0
31011	Rotatable_Bond_Count	3
35405	Undefined_Bond_Stereo_Count	0
540987	Mono_Isotopic_Weight	388.20971797
9421	Total_Formal_Charge	0
13231	Hydrogen_Bond_Donor_Count	1
130354549	Non-hydrogen_Atom_Count	7
2973198	Hydrogen_Bond_Acceptor_Count	4
41574	Tautomer_Count	3
213021	Defined_Bond_Stereo_Count	0
599202	Exact_Mass	173.084063974
57433782	Defined_Bond_Stereo_Count	0
20762359	XLogP3-AA	0.3
64964	Mono_Isotopic_Weight	200.20009678
2583694	Isotope_Atom_Count	0
111509	Hydrogen_Bond_Donor_Count	1
5934	Exact_Mass	239.142247555
12278548	Defined_Bond_Stereo_Count	0
70692035	Defined_Bond_Stereo_Count	0
52947103	Rotatable_Bond_Count	7
37271	Total_Formal_Charge	0
11263488	Hydrogen_Bond_Acceptor_Count	1
252139	Undefined_Bond_Stereo_Count	0
75747	Defined_Atom_Stereo_Count	0
19547	Defined_Bond_Stereo_Count	0
448013	Hydrogen_Bond_Acceptor_Count	8
13314	Defined_Atom_Stereo_Count	0
45138674	Defined_Atom_Stereo_Count	1
69677	Exact_Mass	134.00918253
136647975	Undefined_Bond_Stereo_Count	0
5355836	Exact_Mass	192.04225873
11007867	Rotatable_Bond_Count	0
98365	Hydrogen_Bond_Acceptor_Count	2
76900	Total_Formal_Charge	0
55288133	Defined_Bond_Stereo_Count	0
110835	Covalent_Unit_Count	2
11412	Rotatable_Bond_Count	3
11094545	Covalent_Unit_Count	1
151419	Undefined_Atom_Stereo_Count	0
25403	Hydrogen_Bond_Donor_Count	0
13810419	Structure_Complexity	161
77495	Structure_Complexity	96.3
71206	Defined_Atom_Stereo_Count	7
5371728	Defined_Atom_Stereo_Count	0
9870185	Hydrogen_Bond_Acceptor_Count	5
7311724	Defined_Atom_Stereo_Count	1
21405	XLogP3	1.5
5152	Molecular_Weight	415.6
494937	Exact_Mass	345.08082906
57564	Total_Formal_Charge	0
3343	Defined_Bond_Stereo_Count	0
37243	Hydrogen_Bond_Acceptor_Count	1
132777208	Structure_Complexity	382
6419807	Isotope_Atom_Count	0
9518	Undefined_Atom_Stereo_Count	0
217048	Undefined_Atom_Stereo_Count	0
9832136	Mono_Isotopic_Weight	777.410634
5283316	Covalent_Unit_Count	1
85047	Defined_Atom_Stereo_Count	0
720493	TPSA	55.1
23663404	Exact_Mass	420.19126830
13863632	Hydrogen_Bond_Acceptor_Count	1
79828	Rotatable_Bond_Count	3
518818	Defined_Atom_Stereo_Count	0
8525	Defined_Atom_Stereo_Count	0
168381	Undefined_Atom_Stereo_Count	0
49862872	Rotatable_Bond_Count	2
146156970	Rotatable_Bond_Count	26
12579408	Exact_Mass	98.073164938
11967800	Defined_Atom_Stereo_Count	0
91169276	XLogP3-AA	0.1
4708	Structure_Complexity	433
54575456	Hydrogen_Bond_Donor_Count	2
36560	Non-hydrogen_Atom_Count	14
16051969	Undefined_Atom_Stereo_Count	0
37427	Rotatable_Bond_Count	4
235269	Undefined_Atom_Stereo_Count	0
3913	Undefined_Bond_Stereo_Count	0
159603	TPSA	86.2
11702315	Hydrogen_Bond_Donor_Count	1
94818	Hydrogen_Bond_Donor_Count	1
69677	TPSA	25.8
91347456	Undefined_Bond_Stereo_Count	0
23695767	Defined_Atom_Stereo_Count	3
2647	Defined_Atom_Stereo_Count	0
15778	Defined_Bond_Stereo_Count	0
159603	XLogP3-AA	1.3
3343	Mono_Isotopic_Weight	303.14705815
94973	Undefined_Atom_Stereo_Count	0
516356	Covalent_Unit_Count	1
11274968	Undefined_Bond_Stereo_Count	0
13643838	Hydrogen_Bond_Acceptor_Count	2
460516	Non-hydrogen_Atom_Count	17
138107735	Defined_Atom_Stereo_Count	4
208	Undefined_Atom_Stereo_Count	5
135413538	Undefined_Atom_Stereo_Count	0
904857	Non-hydrogen_Atom_Count	16
8543	Tautomer_Count	9
3067	Exact_Mass	561.29511936
6525	Defined_Atom_Stereo_Count	0
17753867	Hydrogen_Bond_Donor_Count	1
12206947	Rotatable_Bond_Count	0
13586	Rotatable_Bond_Count	1
15098	Hydrogen_Bond_Donor_Count	0
140607	XLogP3-AA	2.7
143060	Undefined_Atom_Stereo_Count	0
13391	Structure_Complexity	135
31767	Mono_Isotopic_Weight	274.18925731
96490	Covalent_Unit_Count	1
13220	Covalent_Unit_Count	1
88239551	Exact_Mass	107.037113783
6857474	Total_Formal_Charge	0
13007516	Rotatable_Bond_Count	1
12962	Total_Formal_Charge	0
68097	Hydrogen_Bond_Donor_Count	2
5388937	XLogP3-AA	4.2
34001	Non-hydrogen_Atom_Count	23
12480	Undefined_Atom_Stereo_Count	0
146345448	Defined_Bond_Stereo_Count	0
146157736	XLogP3-AA	0.6
10898650	Hydrogen_Bond_Donor_Count	0
61583	Molecular_Weight	247.33
638186	Total_Formal_Charge	0
7174	Defined_Atom_Stereo_Count	0
64510	Hydrogen_Bond_Acceptor_Count	4
32052	Total_Formal_Charge	0
643681	Hydrogen_Bond_Donor_Count	0
94232	Defined_Atom_Stereo_Count	0
23532162	Undefined_Atom_Stereo_Count	0
5473268	Defined_Bond_Stereo_Count	1
163900	Molecular_Weight	132.16
11954389	Molecular_Weight	470.9
72304	Exact_Mass	222.068079557
68489225	Exact_Mass	399.16952493
46225190	Exact_Mass	277.215412493
11159621	Defined_Bond_Stereo_Count	0
71457270	Covalent_Unit_Count	1
147556052	Undefined_Bond_Stereo_Count	0
87635503	XLogP3-AA	0.6
44310721	Hydrogen_Bond_Acceptor_Count	5
634493	Hydrogen_Bond_Donor_Count	0
22263	Defined_Bond_Stereo_Count	0
9547196	Covalent_Unit_Count	1
57397461	Exact_Mass	409.0209280
47649	Molecular_Weight	160.3
3081143	Hydrogen_Bond_Donor_Count	2
129533	Defined_Atom_Stereo_Count	4
248703	Total_Formal_Charge	0
11284169	Rotatable_Bond_Count	3
5897	Non-hydrogen_Atom_Count	17
17019	Non-hydrogen_Atom_Count	16
10796722	Molecular_Weight	114.19
24176	Total_Formal_Charge	0
59834563	Mono_Isotopic_Weight	372.16985928
11517020	Undefined_Bond_Stereo_Count	0
12245594	Undefined_Bond_Stereo_Count	0
33728341	Isotope_Atom_Count	0
92729	Covalent_Unit_Count	1
48104	Molecular_Weight	259.77
446201	Molecular_Weight	677.8
107275	Undefined_Atom_Stereo_Count	2
193989	Rotatable_Bond_Count	6
12524	Hydrogen_Bond_Acceptor_Count	2
24550	TPSA	0
15558252	Structure_Complexity	1410
72276	XLogP3	0.4
9934032	Hydrogen_Bond_Acceptor_Count	7
53346581	Defined_Atom_Stereo_Count	0
76225552	Structure_Complexity	80.1
446934	Molecular_Weight	292.5
636345	Hydrogen_Bond_Acceptor_Count	26
10275777	Defined_Atom_Stereo_Count	0
10872638	Rotatable_Bond_Count	3
3037565	Hydrogen_Bond_Donor_Count	3
2482	Structure_Complexity	174
54180637	Defined_Bond_Stereo_Count	0
12218432	Hydrogen_Bond_Donor_Count	1
5462928	Hydrogen_Bond_Donor_Count	0
8101	Undefined_Bond_Stereo_Count	0
6178111	Undefined_Bond_Stereo_Count	0
65373	Undefined_Atom_Stereo_Count	0
60196346	Structure_Complexity	952
24883466	TPSA	279
415868	Undefined_Bond_Stereo_Count	0
45480632	Undefined_Atom_Stereo_Count	0
495	Covalent_Unit_Count	1
51402807	XLogP3-AA	0.4
123744867	Non-hydrogen_Atom_Count	7
21887748	Rotatable_Bond_Count	0
8692	XLogP3	0.2
124249128	Hydrogen_Bond_Donor_Count	1
67259738	Undefined_Atom_Stereo_Count	0
9765	Undefined_Atom_Stereo_Count	0
16076883	Undefined_Bond_Stereo_Count	0
5459318	Molecular_Weight	525.6
3478	Covalent_Unit_Count	1
10775	Hydrogen_Bond_Acceptor_Count	4
44201376	Mono_Isotopic_Weight	458.19540532
47909	Molecular_Weight	350.87
37864	Total_Formal_Charge	0
439302	Molecular_Weight	1007.2
3766	TPSA	0
58125087	Undefined_Bond_Stereo_Count	0
62964	TPSA	112
21884945	Undefined_Bond_Stereo_Count	0
4376677	Total_Formal_Charge	0
454105	Molecular_Weight	493.6
20038	Hydrogen_Bond_Donor_Count	0
12285869	Hydrogen_Bond_Acceptor_Count	6
51021	Defined_Bond_Stereo_Count	0
21973793	Rotatable_Bond_Count	0
126569786	Hydrogen_Bond_Donor_Count	5
78597	Defined_Atom_Stereo_Count	0
739183	Non-hydrogen_Atom_Count	13
15311935	Covalent_Unit_Count	1
3086637	Tautomer_Count	117
70122	Isotope_Atom_Count	0
71307	Undefined_Bond_Stereo_Count	0
47500	Undefined_Bond_Stereo_Count	0
964856	XLogP3-AA	4
71363036	Exact_Mass	801.34907
65787	Undefined_Bond_Stereo_Count	0
71459117	Hydrogen_Bond_Donor_Count	1
139829	TPSA	0
6890	Covalent_Unit_Count	1
170362	Rotatable_Bond_Count	3
101554	Exact_Mass	164.06847348
676242	TPSA	35.6
79693	Non-hydrogen_Atom_Count	14
41772	Undefined_Bond_Stereo_Count	0
12047567	Undefined_Atom_Stereo_Count	0
13224	Non-hydrogen_Atom_Count	12
11611	Hydrogen_Bond_Donor_Count	0
91668	Defined_Atom_Stereo_Count	6
87468122	Defined_Bond_Stereo_Count	0
14947257	Structure_Complexity	67.4
5323652	Defined_Bond_Stereo_Count	1
4528	Undefined_Atom_Stereo_Count	1
20702319	Structure_Complexity	111
921	Covalent_Unit_Count	1
156591873	Exact_Mass	657.5337115
15739357	Hydrogen_Bond_Donor_Count	0
146013258	Structure_Complexity	77.7
175967	Structure_Complexity	627
11777	Molecular_Weight	353.1
972025	Non-hydrogen_Atom_Count	20
4678317	Undefined_Atom_Stereo_Count	0
36082	Hydrogen_Bond_Acceptor_Count	1
10101269	Mono_Isotopic_Weight	703.87857
6917787	Rotatable_Bond_Count	4
21895922	Undefined_Atom_Stereo_Count	2
7099	Hydrogen_Bond_Donor_Count	2
59269371	Exact_Mass	112.052429494
10157484	Undefined_Atom_Stereo_Count	0
12682	Non-hydrogen_Atom_Count	9
9962735	Rotatable_Bond_Count	31
639662	Tautomer_Count	1
20524	Exact_Mass	118.099379685
44353367	Mono_Isotopic_Weight	344.0119330
73604	TPSA	123
163934	Hydrogen_Bond_Donor_Count	1
21162824	Undefined_Atom_Stereo_Count	2
3078	Defined_Bond_Stereo_Count	0
56846509	Hydrogen_Bond_Donor_Count	0
126290	Tautomer_Count	2
16436	Defined_Bond_Stereo_Count	0
11590255	Rotatable_Bond_Count	7
22463839	Exact_Mass	107.073499291
5084	Mono_Isotopic_Weight	452.22122615
101250074	Undefined_Bond_Stereo_Count	0
1815	Mono_Isotopic_Weight	417.07372967
2341	Tautomer_Count	1
5463081	Covalent_Unit_Count	1
5312108	Defined_Bond_Stereo_Count	0
53324128	TPSA	78.3
72207931	Isotope_Atom_Count	0
5364420	Defined_Bond_Stereo_Count	1
41465	Tautomer_Count	1
3167	Hydrogen_Bond_Donor_Count	1
11126249	XLogP3-AA	2.3
64689	Tautomer_Count	16
16183	Non-hydrogen_Atom_Count	11
2244	Molecular_Weight	180.16
285552	Defined_Bond_Stereo_Count	0
15979	Isotope_Atom_Count	0
15415	Undefined_Atom_Stereo_Count	1
67541	Rotatable_Bond_Count	2
6473973	Non-hydrogen_Atom_Count	47
119095461	Hydrogen_Bond_Acceptor_Count	3
18673160	XLogP3-AA	3.4
11712649	Non-hydrogen_Atom_Count	34
60652	Exact_Mass	308.0828741
8468	Defined_Atom_Stereo_Count	0
7249	Undefined_Atom_Stereo_Count	0
70926	Hydrogen_Bond_Donor_Count	2
5354043	XLogP3	5.7
136270342	Mono_Isotopic_Weight	99.032028402
9848628	Total_Formal_Charge	0
5311412	Non-hydrogen_Atom_Count	27
15644502	Defined_Atom_Stereo_Count	0
926	Exact_Mass	664.11694759
142796	Structure_Complexity	67.7
694743	Structure_Complexity	368
50936926	TPSA	85.8
124769750	Total_Formal_Charge	0
2762838	TPSA	12.9
117853562	Total_Formal_Charge	0
45544	Molecular_Weight	221.29
18345891	Undefined_Bond_Stereo_Count	0
12244237	Exact_Mass	77.97755048
86088606	Rotatable_Bond_Count	1
21622656	Hydrogen_Bond_Donor_Count	2
19997	Defined_Atom_Stereo_Count	0
159609	Structure_Complexity	93.7
12127	Tautomer_Count	3
6554	Undefined_Atom_Stereo_Count	1
53699711	Molecular_Weight	114.10
71113	Rotatable_Bond_Count	5
6422	Defined_Bond_Stereo_Count	0
7379	Mono_Isotopic_Weight	164.120115130
5388961	Total_Formal_Charge	0
40839	Defined_Atom_Stereo_Count	9
162908	Defined_Bond_Stereo_Count	0
16759177	Non-hydrogen_Atom_Count	26
779	Covalent_Unit_Count	1
139080230	Hydrogen_Bond_Acceptor_Count	9
179832	Non-hydrogen_Atom_Count	8
12017	Undefined_Bond_Stereo_Count	0
77996	Covalent_Unit_Count	1
533728	Hydrogen_Bond_Acceptor_Count	2
28950993	Total_Formal_Charge	0
191101	Undefined_Atom_Stereo_Count	0
26865	Structure_Complexity	98.6
21677822	XLogP3-AA	2.7
71545	Hydrogen_Bond_Donor_Count	0
156651923	Structure_Complexity	113
70190	Defined_Bond_Stereo_Count	0
2737289	XLogP3	0.8
1646	Rotatable_Bond_Count	3
2434	Undefined_Bond_Stereo_Count	0
12367599	Covalent_Unit_Count	1
5922	Molecular_Weight	123.11
136797998	Mono_Isotopic_Weight	396.0044419
5359620	Undefined_Bond_Stereo_Count	0
129791	Defined_Atom_Stereo_Count	0
5352728	Non-hydrogen_Atom_Count	10
19040	Defined_Atom_Stereo_Count	0
11658655	XLogP3-AA	3
2724429	Rotatable_Bond_Count	4
44563178	Undefined_Bond_Stereo_Count	0
31041	Hydrogen_Bond_Acceptor_Count	1
4908365	Undefined_Bond_Stereo_Count	0
2218	Defined_Bond_Stereo_Count	0
3037565	Non-hydrogen_Atom_Count	23
7253	XLogP3	1
101813505	Defined_Atom_Stereo_Count	0
38771	Non-hydrogen_Atom_Count	14
3032279	Hydrogen_Bond_Acceptor_Count	7
76674	Undefined_Bond_Stereo_Count	0
461003	Hydrogen_Bond_Acceptor_Count	4
4354	Defined_Atom_Stereo_Count	0
135438424	Exact_Mass	649.04104222
134812477	Structure_Complexity	851
65411	XLogP3-AA	0.7
6917941	Covalent_Unit_Count	3
84042	Hydrogen_Bond_Acceptor_Count	3
8264	Mono_Isotopic_Weight	154.06712817
70023156	Mono_Isotopic_Weight	111.068413911
281995	Hydrogen_Bond_Donor_Count	0
185792	Hydrogen_Bond_Acceptor_Count	1
3268	Non-hydrogen_Atom_Count	33
65955	Defined_Atom_Stereo_Count	0
4694097	Undefined_Bond_Stereo_Count	0
123147402	Undefined_Atom_Stereo_Count	2
164072	Isotope_Atom_Count	0
22356182	Defined_Bond_Stereo_Count	0
2723601	Rotatable_Bond_Count	0
74096	Covalent_Unit_Count	1
10406	Exact_Mass	199.229999929
12922658	Undefined_Bond_Stereo_Count	0
11387409	Mono_Isotopic_Weight	514.9921034
10560335	Defined_Atom_Stereo_Count	0
11656753	Undefined_Bond_Stereo_Count	0
11423559	Structure_Complexity	131
28107	Total_Formal_Charge	0
135484128	Molecular_Weight	600.7
21070	Rotatable_Bond_Count	7
656954	Rotatable_Bond_Count	2
57163928	Isotope_Atom_Count	0
13216994	Defined_Bond_Stereo_Count	0
142883	Tautomer_Count	1
446284	XLogP3-AA	5.6
5280723	Molecular_Weight	354.5
16051933	Hydrogen_Bond_Acceptor_Count	15
129317852	Isotope_Atom_Count	0
5463081	Exact_Mass	120.093900383
11105655	Hydrogen_Bond_Donor_Count	0
246916	Non-hydrogen_Atom_Count	7
131634423	Total_Formal_Charge	0
130026605	Covalent_Unit_Count	1
9956222	Molecular_Weight	467.5
54583833	TPSA	34.2
88859271	Hydrogen_Bond_Donor_Count	1
10500527	Isotope_Atom_Count	0
6917972	Mono_Isotopic_Weight	247.963896
22447183	XLogP3-AA	3.2
16212773	Mono_Isotopic_Weight	354.15646954
7077	Undefined_Atom_Stereo_Count	0
17933153	Hydrogen_Bond_Acceptor_Count	4
11599	Hydrogen_Bond_Donor_Count	0
56679001	Structure_Complexity	586
22486676	Defined_Atom_Stereo_Count	0
107915	Tautomer_Count	1
97783	Defined_Bond_Stereo_Count	0
36565	Covalent_Unit_Count	1
58270057	Total_Formal_Charge	0
124584674	Covalent_Unit_Count	1
78485	Total_Formal_Charge	0
60363	Hydrogen_Bond_Donor_Count	0
20033044	Defined_Bond_Stereo_Count	0
16692	Structure_Complexity	254
408714	Hydrogen_Bond_Acceptor_Count	1
64862	Undefined_Bond_Stereo_Count	0
23158108	Hydrogen_Bond_Acceptor_Count	1
9623	Defined_Atom_Stereo_Count	0
26865	Non-hydrogen_Atom_Count	8
446056	Rotatable_Bond_Count	4
135411	Exact_Mass	398.18819469
18430531	Covalent_Unit_Count	1
105054	Structure_Complexity	0
11405875	Defined_Atom_Stereo_Count	0
58097518	Hydrogen_Bond_Acceptor_Count	2
5324585	Covalent_Unit_Count	1
76241	Isotope_Atom_Count	0
3146673	Total_Formal_Charge	0
102058611	XLogP3	2.7
57404062	Exact_Mass	616.34721450
21694866	Defined_Atom_Stereo_Count	0
62876	Mono_Isotopic_Weight	222.161979940
7410	Defined_Atom_Stereo_Count	0
344200	Hydrogen_Bond_Donor_Count	3
83872171	Non-hydrogen_Atom_Count	7
54594881	Isotope_Atom_Count	0
13225428	Non-hydrogen_Atom_Count	7
59966656	Undefined_Atom_Stereo_Count	2
12884652	Rotatable_Bond_Count	1
89886	Defined_Atom_Stereo_Count	8
17903417	Rotatable_Bond_Count	13
27189	Hydrogen_Bond_Acceptor_Count	2
51038316	Defined_Bond_Stereo_Count	1
656917	Defined_Bond_Stereo_Count	0
12306686	Undefined_Bond_Stereo_Count	0
88898	Rotatable_Bond_Count	0
70276811	Defined_Atom_Stereo_Count	2
139062656	Defined_Bond_Stereo_Count	0
10271800	TPSA	86.5
54567	Total_Formal_Charge	0
190818	Hydrogen_Bond_Acceptor_Count	10
139062015	Molecular_Weight	335.6
142518	Undefined_Bond_Stereo_Count	0
24875372	TPSA	99.8
56972759	Isotope_Atom_Count	0
11040399	Covalent_Unit_Count	1
21106	Undefined_Atom_Stereo_Count	1
12298493	Hydrogen_Bond_Acceptor_Count	2
6603806	Defined_Atom_Stereo_Count	1
125892	Non-hydrogen_Atom_Count	53
46239	Total_Formal_Charge	0
10920463	Rotatable_Bond_Count	0
19428934	Undefined_Bond_Stereo_Count	0
146646427	Hydrogen_Bond_Donor_Count	3
22811	Hydrogen_Bond_Acceptor_Count	2
25244582	Hydrogen_Bond_Donor_Count	5
8104	Non-hydrogen_Atom_Count	7
8367	Non-hydrogen_Atom_Count	14
124328800	Undefined_Atom_Stereo_Count	0
60155458	Hydrogen_Bond_Acceptor_Count	9
57391320	Rotatable_Bond_Count	4
446727	Isotope_Atom_Count	0
79345	Isotope_Atom_Count	0
6538991	Undefined_Atom_Stereo_Count	1
46205409	Rotatable_Bond_Count	16
157429	Hydrogen_Bond_Acceptor_Count	13
5360134	TPSA	31.2
54245381	Mono_Isotopic_Weight	118.099379685
97730	Defined_Atom_Stereo_Count	0
524266	Structure_Complexity	101
13848133	Rotatable_Bond_Count	1
131695	Defined_Atom_Stereo_Count	0
302	Hydrogen_Bond_Acceptor_Count	5
45278337	Total_Formal_Charge	0
12007083	Exact_Mass	420.20088463
49843517	Hydrogen_Bond_Donor_Count	2
25355	Hydrogen_Bond_Donor_Count	0
185588	Covalent_Unit_Count	1
2797779	XLogP3-AA	0.3
224242	Non-hydrogen_Atom_Count	7
126011	Isotope_Atom_Count	0
29083	Undefined_Bond_Stereo_Count	0
15213038	Mono_Isotopic_Weight	87.068413911
11246	Non-hydrogen_Atom_Count	5
74098	Total_Formal_Charge	0
633366	Molecular_Weight	382.2
62466	Defined_Bond_Stereo_Count	0
89206022	Mono_Isotopic_Weight	904.44565070
7566944	Covalent_Unit_Count	1
14008744	Covalent_Unit_Count	1
158294441	Exact_Mass	116.047344113
131705644	Hydrogen_Bond_Donor_Count	8
164702	Molecular_Weight	100.12
20691	Hydrogen_Bond_Donor_Count	0
45238	TPSA	29.5
58647035	Rotatable_Bond_Count	1
12596780	TPSA	17.1
674976	Isotope_Atom_Count	0
84921	Exact_Mass	129.115364102
19999	Undefined_Bond_Stereo_Count	0
708857	Covalent_Unit_Count	1
143694905	Undefined_Bond_Stereo_Count	0
12962	Non-hydrogen_Atom_Count	5
87280117	TPSA	58.9
11500877	Defined_Atom_Stereo_Count	0
13286	Hydrogen_Bond_Acceptor_Count	6
131567	XLogP3-AA	3.9
20535613	Structure_Complexity	52
117569444	Mono_Isotopic_Weight	100.100048391
156618045	Hydrogen_Bond_Acceptor_Count	11
131170	Molecular_Weight	216.62
456222	Undefined_Bond_Stereo_Count	0
21803	Undefined_Bond_Stereo_Count	0
12399560	Mono_Isotopic_Weight	511.18959167
53778	Exact_Mass	365.1636826
160280695	Defined_Atom_Stereo_Count	0
20617585	Hydrogen_Bond_Donor_Count	0
5603	Exact_Mass	115.136099547
69280558	TPSA	61.4
161562	Exact_Mass	394.13266896
124222418	Covalent_Unit_Count	1
11171	TPSA	64.6
4112	Non-hydrogen_Atom_Count	33
94294	Defined_Atom_Stereo_Count	0
9879368	Tautomer_Count	1
2762809	Defined_Atom_Stereo_Count	0
146018879	Non-hydrogen_Atom_Count	44
5192	Mono_Isotopic_Weight	202.12050905
146158627	Mono_Isotopic_Weight	1406.74927579
44160	Hydrogen_Bond_Acceptor_Count	3
3988	TPSA	113
7067874	Defined_Atom_Stereo_Count	5
20485728	Hydrogen_Bond_Acceptor_Count	2
392	Covalent_Unit_Count	1
5329055	XLogP3-AA	4.9
53245830	Hydrogen_Bond_Acceptor_Count	3
38855	Rotatable_Bond_Count	19
76209	Molecular_Weight	102.13
7607	XLogP3	4.2
9579578	Rotatable_Bond_Count	5
25654	Molecular_Weight	389.4
1355	Mono_Isotopic_Weight	196.0767261
5311054	Defined_Bond_Stereo_Count	0
9211	TPSA	9.2
5466987	Undefined_Atom_Stereo_Count	2
10288	XLogP3-AA	4.3
3140	Hydrogen_Bond_Donor_Count	0
446998	Structure_Complexity	307
67520	Exact_Mass	81.032697108
19998	Structure_Complexity	225
190550	Isotope_Atom_Count	0
75090	Non-hydrogen_Atom_Count	22
68681268	Mono_Isotopic_Weight	432.12338320
11987858	Mono_Isotopic_Weight	99.032028402
19595920	Hydrogen_Bond_Donor_Count	0
56841013	Structure_Complexity	488
3641960	Defined_Bond_Stereo_Count	0
118052396	Total_Formal_Charge	0
66704467	Defined_Bond_Stereo_Count	0
76192	Total_Formal_Charge	0
11950726	Isotope_Atom_Count	0
150986	Molecular_Weight	300.4
14794988	XLogP3-AA	0.8
9221	Defined_Bond_Stereo_Count	0
51397006	Structure_Complexity	606
439639	Molecular_Weight	666.6
3032571	Exact_Mass	287.886175
135407110	Mono_Isotopic_Weight	268.08076950
5569	Isotope_Atom_Count	0
23677974	Non-hydrogen_Atom_Count	21
65174649	Defined_Bond_Stereo_Count	0
45358438	Defined_Bond_Stereo_Count	1
136888457	XLogP3-AA	3.6
117188004	Isotope_Atom_Count	0
21991095	XLogP3-AA	0.7
11122452	Defined_Bond_Stereo_Count	0
90654313	Total_Formal_Charge	0
91749	Defined_Atom_Stereo_Count	0
50312	Exact_Mass	370.97783
363	Non-hydrogen_Atom_Count	4
53835225	XLogP3-AA	1.4
9915039	Exact_Mass	532.1796670
136716	Total_Formal_Charge	0
69808	Undefined_Atom_Stereo_Count	0
5487542	TPSA	109
19734140	Covalent_Unit_Count	1
56734	Exact_Mass	177.05719778
55223	Defined_Atom_Stereo_Count	0
55329	Non-hydrogen_Atom_Count	19
1483593	Hydrogen_Bond_Donor_Count	1
6113	Hydrogen_Bond_Donor_Count	0
3605	Undefined_Bond_Stereo_Count	0
25015694	Hydrogen_Bond_Acceptor_Count	8
443115	TPSA	184
19067957	Total_Formal_Charge	0
57280823	Covalent_Unit_Count	1
68947	Isotope_Atom_Count	0
24389	Hydrogen_Bond_Donor_Count	1
44395101	Mono_Isotopic_Weight	480.21614077
118327	Non-hydrogen_Atom_Count	24
2912	Defined_Bond_Stereo_Count	0
943	Tautomer_Count	1
10197636	Exact_Mass	100.052429494
57586910	Defined_Bond_Stereo_Count	0
15399127	TPSA	29.5
5282547	Isotope_Atom_Count	0
134495	Rotatable_Bond_Count	6
68119	Hydrogen_Bond_Donor_Count	0
12005	Non-hydrogen_Atom_Count	9
89390	Molecular_Weight	329.3
13428	Molecular_Weight	260.9
265776	Molecular_Weight	109.13
57993933	Undefined_Bond_Stereo_Count	0
14818447	Rotatable_Bond_Count	0
54758307	Molecular_Weight	458.6
6474109	Undefined_Atom_Stereo_Count	0
146159143	Covalent_Unit_Count	1
440699	Tautomer_Count	9
21863274	Hydrogen_Bond_Acceptor_Count	5
20429	Undefined_Atom_Stereo_Count	1
71481097	Covalent_Unit_Count	1
197160	Molecular_Weight	338.66
71165	Mono_Isotopic_Weight	288.14739250
12497562	Hydrogen_Bond_Acceptor_Count	1
13576	Mono_Isotopic_Weight	156.151415257
21721513	Structure_Complexity	147
36272	Mono_Isotopic_Weight	439.21409234
6433266	Total_Formal_Charge	0
81876	Non-hydrogen_Atom_Count	19
9999	XLogP3	0.1
144567671	Exact_Mass	108.093900383
99516	Undefined_Bond_Stereo_Count	0
10240775	Mono_Isotopic_Weight	103.063328530
53469852	Structure_Complexity	755
11039	Mono_Isotopic_Weight	102.068079557
44310707	XLogP3-AA	0.2
129909860	Undefined_Atom_Stereo_Count	0
3906961	Undefined_Bond_Stereo_Count	0
72322	Structure_Complexity	502
5325574	Molecular_Weight	115.17
69146	Covalent_Unit_Count	1
154392753	Rotatable_Bond_Count	1
53814234	Molecular_Weight	101.10
13653621	Mono_Isotopic_Weight	420.22851697
24642	Exact_Mass	239.94328
13527	Defined_Bond_Stereo_Count	0
91018	Defined_Atom_Stereo_Count	0
156156900	Defined_Bond_Stereo_Count	0
71684552	Covalent_Unit_Count	1
23676152	Isotope_Atom_Count	0
7402	Undefined_Bond_Stereo_Count	0
2358	Tautomer_Count	3
13781592	Defined_Atom_Stereo_Count	0
1486	Defined_Bond_Stereo_Count	0
6337614	Exact_Mass	296.188863393
519275	Defined_Bond_Stereo_Count	0
39874	Undefined_Atom_Stereo_Count	0
250079	Undefined_Atom_Stereo_Count	2
211468	Isotope_Atom_Count	0
97832	Molecular_Weight	100.12
25014844	Covalent_Unit_Count	1
9845837	Covalent_Unit_Count	1
42438	Undefined_Bond_Stereo_Count	0
11819049	Hydrogen_Bond_Donor_Count	1
9826744	Hydrogen_Bond_Donor_Count	1
23283001	Mono_Isotopic_Weight	108.093900383
71225	Undefined_Bond_Stereo_Count	0
6436015	Hydrogen_Bond_Donor_Count	0
60196434	Covalent_Unit_Count	1
17572160	Undefined_Atom_Stereo_Count	0
6818	Hydrogen_Bond_Acceptor_Count	4
44838	Hydrogen_Bond_Donor_Count	0
11600642	Defined_Atom_Stereo_Count	1
130232326	Hydrogen_Bond_Acceptor_Count	5
18719	Rotatable_Bond_Count	5
687034	XLogP3-AA	3.7
11217523	Defined_Bond_Stereo_Count	0
6992020	Hydrogen_Bond_Acceptor_Count	4
16667700	Covalent_Unit_Count	2
5062	Mono_Isotopic_Weight	420.14203234
88314154	Defined_Atom_Stereo_Count	0
23974	Undefined_Bond_Stereo_Count	0
508	Defined_Atom_Stereo_Count	0
558526	Defined_Bond_Stereo_Count	0
20097868	Rotatable_Bond_Count	2
53237112	Undefined_Bond_Stereo_Count	0
4053	Structure_Complexity	265
86751	Structure_Complexity	97
56427	Molecular_Weight	217.31
11967617	TPSA	12
5067511	Tautomer_Count	1
89150	Total_Formal_Charge	0
109291	Tautomer_Count	1
7058	Undefined_Atom_Stereo_Count	0
231971	Defined_Bond_Stereo_Count	0
22377554	Structure_Complexity	79.1
1257	Defined_Bond_Stereo_Count	0
19933114	Undefined_Atom_Stereo_Count	2
20814133	Exact_Mass	85.03884512
443041	Exact_Mass	324.98845
3588	TPSA	118
14416612	Rotatable_Bond_Count	1
647840	Exact_Mass	337.12602622
4021	Mono_Isotopic_Weight	174.079312947
28144	Total_Formal_Charge	0
92843	Hydrogen_Bond_Donor_Count	3
53701761	Defined_Bond_Stereo_Count	0
20798615	Non-hydrogen_Atom_Count	7
58407	Rotatable_Bond_Count	9
13877	Structure_Complexity	102
53702849	Total_Formal_Charge	0
25067547	Defined_Bond_Stereo_Count	0
14843146	Total_Formal_Charge	0
54175	Mono_Isotopic_Weight	345.1706861
2365	Hydrogen_Bond_Acceptor_Count	2
131674917	Total_Formal_Charge	0
138539	Non-hydrogen_Atom_Count	7
12285886	Rotatable_Bond_Count	1
65468	Structure_Complexity	499
138358	Defined_Bond_Stereo_Count	0
58195	Undefined_Bond_Stereo_Count	0
46936357	Hydrogen_Bond_Donor_Count	2
92649	Isotope_Atom_Count	0
9964258	Non-hydrogen_Atom_Count	12
7628	Rotatable_Bond_Count	0
10241	Structure_Complexity	222
3463	Defined_Bond_Stereo_Count	0
72137	Covalent_Unit_Count	1
21236	Undefined_Atom_Stereo_Count	0
2741	Defined_Atom_Stereo_Count	0
26447	Mono_Isotopic_Weight	154.135765193
20055804	Tautomer_Count	2
23661867	Hydrogen_Bond_Donor_Count	0
137616	Defined_Bond_Stereo_Count	0
30020	Covalent_Unit_Count	1
9062	Rotatable_Bond_Count	1
19392414	Defined_Bond_Stereo_Count	0
44310838	Hydrogen_Bond_Acceptor_Count	7
522996	Covalent_Unit_Count	1
6000	Covalent_Unit_Count	1
13400657	Rotatable_Bond_Count	1
2734179	Tautomer_Count	1
129010024	Hydrogen_Bond_Acceptor_Count	19
93221	Mono_Isotopic_Weight	699.42473655
54706138	Tautomer_Count	246
22208	Total_Formal_Charge	0
91992733	Isotope_Atom_Count	0
80153	Hydrogen_Bond_Donor_Count	1
1212	Rotatable_Bond_Count	3
5362129	Isotope_Atom_Count	0
6324599	TPSA	159
1970	Total_Formal_Charge	0
8696	Molecular_Weight	345.34
146993530	Undefined_Atom_Stereo_Count	3
2049	Undefined_Atom_Stereo_Count	0
13095	Isotope_Atom_Count	0
56296	TPSA	165
12905357	Undefined_Bond_Stereo_Count	0
10290	Tautomer_Count	9
451187	Mono_Isotopic_Weight	174.131984
18546557	Isotope_Atom_Count	0
237662	Total_Formal_Charge	0
69903	Hydrogen_Bond_Acceptor_Count	3
9864687	Total_Formal_Charge	0
91649	Tautomer_Count	2
12980	Rotatable_Bond_Count	2
141295139	Undefined_Bond_Stereo_Count	0
58536	Rotatable_Bond_Count	3
10290764	Molecular_Weight	112.13
48918	Hydrogen_Bond_Acceptor_Count	3
21750168	Exact_Mass	128.047344113
151148	Rotatable_Bond_Count	5
22833326	Exact_Mass	446.33960994
6300	Undefined_Atom_Stereo_Count	0
2759227	Covalent_Unit_Count	1
76922	Hydrogen_Bond_Donor_Count	0
5352846	Undefined_Atom_Stereo_Count	0
3403	Hydrogen_Bond_Donor_Count	3
154701841	Non-hydrogen_Atom_Count	29
12313523	Exact_Mass	222.173213330
13561474	Non-hydrogen_Atom_Count	8
6754	Undefined_Bond_Stereo_Count	0
12093171	TPSA	123
13871	Total_Formal_Charge	0
60196352	Isotope_Atom_Count	0
6918123	Undefined_Atom_Stereo_Count	0
4104621	Hydrogen_Bond_Acceptor_Count	4
45270144	Total_Formal_Charge	0
156618034	Hydrogen_Bond_Acceptor_Count	11
12124007	Defined_Bond_Stereo_Count	0
91707	Covalent_Unit_Count	1
51375034	Defined_Bond_Stereo_Count	0
10907	Mono_Isotopic_Weight	114.140850574
131728182	Exact_Mass	183.0697956
105766824	Non-hydrogen_Atom_Count	8
41515	XLogP3-AA	3.6
140814	Undefined_Bond_Stereo_Count	0
8283	Defined_Bond_Stereo_Count	0
12594	Total_Formal_Charge	0
24901347	Rotatable_Bond_Count	11
67156338	Undefined_Bond_Stereo_Count	0
13401731	Covalent_Unit_Count	1
105709961	Total_Formal_Charge	0
6469	Isotope_Atom_Count	0
3020	Covalent_Unit_Count	1
135437	Undefined_Atom_Stereo_Count	0
83891	Defined_Bond_Stereo_Count	0
68809	Defined_Atom_Stereo_Count	0
60196383	Hydrogen_Bond_Acceptor_Count	6
2520	TPSA	64
164	Undefined_Bond_Stereo_Count	1
123804924	Non-hydrogen_Atom_Count	8
9639	Undefined_Bond_Stereo_Count	0
102249560	Rotatable_Bond_Count	2
9865	Tautomer_Count	1
12363650	Isotope_Atom_Count	0
13531445	Isotope_Atom_Count	0
10946	Undefined_Atom_Stereo_Count	0
12532	Rotatable_Bond_Count	15
156323004	Defined_Atom_Stereo_Count	0
1702	Undefined_Atom_Stereo_Count	0
2723872	Hydrogen_Bond_Acceptor_Count	6
15904	Defined_Atom_Stereo_Count	0
135988	Mono_Isotopic_Weight	110.109550447
22947120	Defined_Bond_Stereo_Count	0
36185	Undefined_Atom_Stereo_Count	0
54079804	Isotope_Atom_Count	0
33657234	Isotope_Atom_Count	0
63036	Undefined_Bond_Stereo_Count	0
10473927	Hydrogen_Bond_Donor_Count	1
6344	Total_Formal_Charge	0
143403310	Covalent_Unit_Count	1
31781	Exact_Mass	424.15557440
129378	Structure_Complexity	205
72761	Hydrogen_Bond_Donor_Count	2
129675901	Defined_Bond_Stereo_Count	0
22024915	Molecular_Weight	391.4
11500273	Non-hydrogen_Atom_Count	20
85364156	Undefined_Atom_Stereo_Count	1
6918155	Defined_Bond_Stereo_Count	0
11672461	Structure_Complexity	1130
219121	Tautomer_Count	10
3780	Non-hydrogen_Atom_Count	16
12719155	Defined_Atom_Stereo_Count	0
9494	Covalent_Unit_Count	1
4347	Undefined_Atom_Stereo_Count	0
9271	Exact_Mass	411.771136
497380	Defined_Bond_Stereo_Count	0
92363	Rotatable_Bond_Count	1
6919467	Undefined_Atom_Stereo_Count	0
158299	Hydrogen_Bond_Donor_Count	0
79483	Undefined_Bond_Stereo_Count	0
53801928	TPSA	55.8
12209630	Hydrogen_Bond_Acceptor_Count	2
44629593	Hydrogen_Bond_Donor_Count	5
10046647	Exact_Mass	401.2233903
70690020	Non-hydrogen_Atom_Count	31
57238241	Rotatable_Bond_Count	1
123212370	TPSA	0
10096344	Covalent_Unit_Count	1
1549237	Hydrogen_Bond_Donor_Count	0
54521625	Molecular_Weight	112.13
99828	Molecular_Weight	236.3
2472	Molecular_Weight	373.4
16760569	Non-hydrogen_Atom_Count	35
22153558	Mono_Isotopic_Weight	85.089149355
7156899	Mono_Isotopic_Weight	342.11621151
34850	Defined_Bond_Stereo_Count	0
10560336	Structure_Complexity	152
89175197	Rotatable_Bond_Count	0
44134844	Hydrogen_Bond_Acceptor_Count	31
15568242	Rotatable_Bond_Count	1
41693	Undefined_Atom_Stereo_Count	0
63784	Non-hydrogen_Atom_Count	22
47445	Undefined_Bond_Stereo_Count	0
67739711	Exact_Mass	648.36755603
65109	Defined_Bond_Stereo_Count	0
87833	Total_Formal_Charge	0
7915	Exact_Mass	102.068079557
25023858	Structure_Complexity	702
6591	Structure_Complexity	26.5
74859	Total_Formal_Charge	0
54685920	Exact_Mass	480.1299435
60657	Covalent_Unit_Count	1
82693	Total_Formal_Charge	0
1649	Rotatable_Bond_Count	0
51352361	Hydrogen_Bond_Acceptor_Count	7
6717	Total_Formal_Charge	0
59286	Structure_Complexity	290
447877	Rotatable_Bond_Count	28
6534	Undefined_Bond_Stereo_Count	0
18711391	Molecular_Weight	122.21
13001072	Isotope_Atom_Count	0
58475	Mono_Isotopic_Weight	244.157563266
7232	Covalent_Unit_Count	1
47703	Isotope_Atom_Count	0
55479	Non-hydrogen_Atom_Count	15
71719928	Molecular_Weight	525.6
3818	Hydrogen_Bond_Donor_Count	3
534471	Isotope_Atom_Count	0
13077	Defined_Bond_Stereo_Count	0
6021893	Undefined_Atom_Stereo_Count	0
120393	Exact_Mass	280.0866221
5353495	Undefined_Atom_Stereo_Count	2
7802604	Defined_Atom_Stereo_Count	0
92546	Covalent_Unit_Count	1
694117	Total_Formal_Charge	0
73241	Structure_Complexity	171
145607000	Structure_Complexity	74.9
56955933	Mono_Isotopic_Weight	79.9687389
58154	Rotatable_Bond_Count	4
135489810	Structure_Complexity	140
1547484	XLogP3	5.8
18467	Total_Formal_Charge	0
18622372	Molecular_Weight	111.10
3383476	Hydrogen_Bond_Acceptor_Count	12
21804	Undefined_Bond_Stereo_Count	0
3347	Hydrogen_Bond_Acceptor_Count	4
23080870	Rotatable_Bond_Count	2
142044455	Covalent_Unit_Count	1
6436924	Isotope_Atom_Count	0
10954241	Hydrogen_Bond_Acceptor_Count	6
99451	Undefined_Atom_Stereo_Count	0
441328	Rotatable_Bond_Count	4
12914157	Total_Formal_Charge	0
60196407	Total_Formal_Charge	0
75634	Defined_Bond_Stereo_Count	0
34885	Rotatable_Bond_Count	4
1810203	XLogP3-AA	0.9
1805	TPSA	141
5366258	Exact_Mass	170.167065321
12291486	XLogP3-AA	2.2
57345410	Total_Formal_Charge	0
263077	Total_Formal_Charge	0
20727	Total_Formal_Charge	0
24229456	TPSA	49.8
6271688	Non-hydrogen_Atom_Count	36
398116	Hydrogen_Bond_Donor_Count	0
521076	Covalent_Unit_Count	1
9911830	Undefined_Bond_Stereo_Count	0
22137869	Covalent_Unit_Count	1
12599129	Undefined_Atom_Stereo_Count	0
3172	TPSA	3.2
21617086	Exact_Mass	113.047678466
13595226	Undefined_Atom_Stereo_Count	1
701016	Non-hydrogen_Atom_Count	19
181749	Structure_Complexity	52
212229	Exact_Mass	316.0745332
59743204	Mono_Isotopic_Weight	99.104799419
11115995	Defined_Atom_Stereo_Count	0
129395999	Undefined_Bond_Stereo_Count	0
22737404	Rotatable_Bond_Count	6
547064	Defined_Bond_Stereo_Count	0
43226	Defined_Bond_Stereo_Count	0
4669250	Hydrogen_Bond_Donor_Count	1
15250	Covalent_Unit_Count	1
561193	Covalent_Unit_Count	1
6562	Isotope_Atom_Count	0
60746	Mono_Isotopic_Weight	367.0934984
259821	Undefined_Bond_Stereo_Count	0
45266908	Hydrogen_Bond_Acceptor_Count	19
572565	TPSA	57.4
25058167	Defined_Bond_Stereo_Count	0
117126701	Defined_Bond_Stereo_Count	0
153386860	Molecular_Weight	110.15
13487335	Defined_Atom_Stereo_Count	0
20475566	Exact_Mass	112.088815002
21157625	Hydrogen_Bond_Donor_Count	0
19077501	Molecular_Weight	390.8
124946	TPSA	46.6
89986047	XLogP3-AA	1
141407094	Defined_Bond_Stereo_Count	0
9818231	Rotatable_Bond_Count	3
123492457	TPSA	0
135438608	Defined_Atom_Stereo_Count	1
564206	Isotope_Atom_Count	0
74682	Undefined_Atom_Stereo_Count	0
15037	Defined_Atom_Stereo_Count	0
25127621	Defined_Bond_Stereo_Count	0
68674	Hydrogen_Bond_Acceptor_Count	4
7200	XLogP3	1.5
20136721	Undefined_Bond_Stereo_Count	0
19930616	Isotope_Atom_Count	0
98685	Mono_Isotopic_Weight	240.126263138
129859529	TPSA	20.3
8562	Isotope_Atom_Count	0
396680	Covalent_Unit_Count	1
4054588	Structure_Complexity	75.6
12669677	Hydrogen_Bond_Donor_Count	0
90735654	Exact_Mass	106.078250319
45788558	Rotatable_Bond_Count	0
285366	Undefined_Bond_Stereo_Count	0
5463134	Exact_Mass	100.052429494
44246724	Total_Formal_Charge	0
52766	Undefined_Atom_Stereo_Count	0
15072744	Undefined_Bond_Stereo_Count	0
14709	Mono_Isotopic_Weight	330.21949481
54686187	Hydrogen_Bond_Donor_Count	9
83872174	TPSA	53.2
25142175	Covalent_Unit_Count	1
13027931	Total_Formal_Charge	0
443880	TPSA	89.9
57091294	Isotope_Atom_Count	0
260913	Non-hydrogen_Atom_Count	8
49342	Non-hydrogen_Atom_Count	16
92131209	Hydrogen_Bond_Donor_Count	6
61627	Structure_Complexity	122
20016	Covalent_Unit_Count	1
5282321	Hydrogen_Bond_Acceptor_Count	6
135398655	Molecular_Weight	589.3
75227	Mono_Isotopic_Weight	139.099714038
25066467	Isotope_Atom_Count	0
6326976	Non-hydrogen_Atom_Count	7
13761354	Undefined_Atom_Stereo_Count	1
102515443	Covalent_Unit_Count	1
12245594	XLogP3-AA	1.7
54676038	Exact_Mass	336.06338810
94834	Non-hydrogen_Atom_Count	13
97536	Undefined_Atom_Stereo_Count	0
126969054	Covalent_Unit_Count	1
11093674	Exact_Mass	98.073164938
1954	Covalent_Unit_Count	1
4953	Mono_Isotopic_Weight	334.21440943
154515422	Non-hydrogen_Atom_Count	8
6432640	Defined_Atom_Stereo_Count	1
11741	Hydrogen_Bond_Donor_Count	2
13574480	Rotatable_Bond_Count	2
56518	Defined_Bond_Stereo_Count	0
11601669	Total_Formal_Charge	0
53846425	Isotope_Atom_Count	0
753053	Undefined_Atom_Stereo_Count	0
517922	Isotope_Atom_Count	0
12757	Isotope_Atom_Count	0
92277	Defined_Bond_Stereo_Count	0
644017	Isotope_Atom_Count	0
6291886	Exact_Mass	269.0407907
20591	Hydrogen_Bond_Acceptor_Count	3
54582799	Defined_Atom_Stereo_Count	0
23305495	Mono_Isotopic_Weight	665.30474055
139057564	Hydrogen_Bond_Donor_Count	2
61151	Mono_Isotopic_Weight	166.062994177
6440352	Tautomer_Count	228
54675850	Molecular_Weight	137.11
45086609	Undefined_Bond_Stereo_Count	0
111026	Structure_Complexity	27.1
10964423	Undefined_Atom_Stereo_Count	1
10402	Undefined_Bond_Stereo_Count	0
5320867	Exact_Mass	324.183778013
3463	TPSA	46.5
150762	Structure_Complexity	1090
447249	Rotatable_Bond_Count	7
149434	Covalent_Unit_Count	1
11167602	Rotatable_Bond_Count	5
5813	Tautomer_Count	10
294764	Structure_Complexity	262
1800	Exact_Mass	161.082721304
439763	Mono_Isotopic_Weight	483.30184471
7881	Defined_Atom_Stereo_Count	0
22062700	Defined_Bond_Stereo_Count	0
11503972	Structure_Complexity	535
13511919	TPSA	20.2
21805409	Non-hydrogen_Atom_Count	7
66296	Non-hydrogen_Atom_Count	7
135753908	Hydrogen_Bond_Donor_Count	1
67375395	Non-hydrogen_Atom_Count	31
6537	Defined_Atom_Stereo_Count	0
13568632	Total_Formal_Charge	0
58195	Hydrogen_Bond_Acceptor_Count	2
87692081	Isotope_Atom_Count	0
17860	Undefined_Atom_Stereo_Count	0
66342	Mono_Isotopic_Weight	292.121177757
14966433	Undefined_Atom_Stereo_Count	0
98170437	Molecular_Weight	342.30
29385	TPSA	0
2347	Defined_Bond_Stereo_Count	0
19695800	Total_Formal_Charge	0
12456033	Undefined_Atom_Stereo_Count	0
86367	Mono_Isotopic_Weight	225.126597491
6503	Hydrogen_Bond_Donor_Count	4
82050	Non-hydrogen_Atom_Count	2
160138	TPSA	40.5
12301054	TPSA	20.2
12694695	Covalent_Unit_Count	1
21336418	Hydrogen_Bond_Donor_Count	0
11073365	Isotope_Atom_Count	0
5894	Covalent_Unit_Count	1
68901306	Covalent_Unit_Count	1
520744	Molecular_Weight	142.24
11719190	Structure_Complexity	616
26955	Structure_Complexity	292
14187216	Covalent_Unit_Count	1
18608283	Total_Formal_Charge	0
91434	Hydrogen_Bond_Donor_Count	4
93771	Covalent_Unit_Count	1
146157955	TPSA	241
180081	XLogP3-AA	2.8
89219185	Structure_Complexity	61.1
1882	Non-hydrogen_Atom_Count	16
20782688	Covalent_Unit_Count	1
7337	Defined_Atom_Stereo_Count	0
17842350	Structure_Complexity	129
71978	TPSA	277
17805735	Structure_Complexity	54
142809	Defined_Atom_Stereo_Count	0
156328	Molecular_Weight	402.5
69132	TPSA	26.3
71751937	TPSA	45.6
9815418	TPSA	110
68770	Hydrogen_Bond_Acceptor_Count	4
11972518	Molecular_Weight	1111.3
5284556	Molecular_Weight	144.60
89534431	XLogP3-AA	0.6
30973	TPSA	61.5
70695759	Hydrogen_Bond_Donor_Count	3
22842006	Structure_Complexity	808
5284572	Hydrogen_Bond_Acceptor_Count	7
123178849	Hydrogen_Bond_Donor_Count	0
13087266	Structure_Complexity	64.6
65445	Undefined_Bond_Stereo_Count	0
54740489	Molecular_Weight	390.31
34461	Structure_Complexity	295
610072	Undefined_Bond_Stereo_Count	0
3045401	XLogP3-AA	2.8
43231	Structure_Complexity	604
68499424	Mono_Isotopic_Weight	96.068748264
11137142	Covalent_Unit_Count	2
17571562	Rotatable_Bond_Count	3
699570	Hydrogen_Bond_Acceptor_Count	4
7058	Isotope_Atom_Count	0
17390	Mono_Isotopic_Weight	221.141578849
60047	TPSA	127
614	Undefined_Bond_Stereo_Count	0
73049652	Mono_Isotopic_Weight	958.10256
13026389	TPSA	0
2733294	Molecular_Weight	142.20
7413	Isotope_Atom_Count	0
154	Exact_Mass	313.06750147
135565471	Defined_Atom_Stereo_Count	4
20087060	Molecular_Weight	115.13
72732	Covalent_Unit_Count	1
12637126	Covalent_Unit_Count	1
44424639	Structure_Complexity	1690
9939627	Structure_Complexity	836
47510	Mono_Isotopic_Weight	220.13241115
91985	Molecular_Weight	96.17
652	Defined_Bond_Stereo_Count	0
96665	TPSA	54.4
68975085	Defined_Atom_Stereo_Count	0
66587064	Structure_Complexity	746
265370	Covalent_Unit_Count	1
9539	Undefined_Atom_Stereo_Count	0
45214	Undefined_Atom_Stereo_Count	0
21718	Hydrogen_Bond_Acceptor_Count	8
18771155	Structure_Complexity	304
92337	Defined_Bond_Stereo_Count	0
17579	Mono_Isotopic_Weight	365.04868078
71676045	Hydrogen_Bond_Acceptor_Count	10
16212959	Defined_Bond_Stereo_Count	0
14172370	Structure_Complexity	142
443604	Mono_Isotopic_Weight	493.32258015
493662	Molecular_Weight	1139.3
107751	Total_Formal_Charge	0
24825254	Molecular_Weight	510.6
9457	Non-hydrogen_Atom_Count	12
102358067	Defined_Atom_Stereo_Count	0
14927	Undefined_Bond_Stereo_Count	0
44443939	TPSA	164
12661295	Isotope_Atom_Count	0
165413019	Molecular_Weight	268.23
5721	Non-hydrogen_Atom_Count	23
3081884	Isotope_Atom_Count	0
6400	Defined_Atom_Stereo_Count	0
12400482	Exact_Mass	112.088815002
543096	Rotatable_Bond_Count	1
141427445	Isotope_Atom_Count	0
9931156	Covalent_Unit_Count	1
71117	Hydrogen_Bond_Acceptor_Count	5
5920	Undefined_Bond_Stereo_Count	0
72506564	Undefined_Atom_Stereo_Count	0
146743267	XLogP3-AA	1
13123	Defined_Bond_Stereo_Count	0
13306871	TPSA	40.5
124604767	Hydrogen_Bond_Acceptor_Count	16
97886	Defined_Atom_Stereo_Count	0
19235	Covalent_Unit_Count	1
83167	Total_Formal_Charge	0
54025313	TPSA	13.1
10342	Molecular_Weight	88.11
6405	Isotope_Atom_Count	0
135911835	Hydrogen_Bond_Donor_Count	1
446934	Defined_Atom_Stereo_Count	8
5312137	Total_Formal_Charge	0
64740	Exact_Mass	404.1117066
517327	Hydrogen_Bond_Acceptor_Count	3
44298618	XLogP3-AA	6.9
22507733	Structure_Complexity	52
21947198	Mono_Isotopic_Weight	195.06604493
23723057	Hydrogen_Bond_Acceptor_Count	5
37251	Hydrogen_Bond_Donor_Count	0
71698	XLogP3	2.3
11054313	XLogP3-AA	3
10608	Total_Formal_Charge	0
219608	Covalent_Unit_Count	1
16700308	Hydrogen_Bond_Donor_Count	0
26470525	Molecular_Weight	342.30
454216	Exact_Mass	723.21387469
56842993	Structure_Complexity	503
372267	Non-hydrogen_Atom_Count	20
13019	Defined_Atom_Stereo_Count	0
98633	Isotope_Atom_Count	0
358	Defined_Bond_Stereo_Count	0
73920	Mono_Isotopic_Weight	342.06405680
65094	Covalent_Unit_Count	1
136873	Defined_Atom_Stereo_Count	0
54003766	Exact_Mass	93.057849228
5459910	Mono_Isotopic_Weight	297.13649347
667550	Defined_Atom_Stereo_Count	1
129675901	Total_Formal_Charge	0
66726979	Hydrogen_Bond_Acceptor_Count	8
7978	Hydrogen_Bond_Donor_Count	1
16960	Structure_Complexity	249
33474	Hydrogen_Bond_Acceptor_Count	3
57394213	Isotope_Atom_Count	0
3134071	XLogP3-AA	2.4
2324	Hydrogen_Bond_Acceptor_Count	8
23450	Molecular_Weight	137.14
2060890	Molecular_Weight	342.8
6436219	Rotatable_Bond_Count	1
724228	XLogP3-AA	4.7
14057	Defined_Atom_Stereo_Count	0
316797	Isotope_Atom_Count	0
133268468	Undefined_Bond_Stereo_Count	0
123203551	Undefined_Bond_Stereo_Count	0
675533	TPSA	77.2
6136	Defined_Bond_Stereo_Count	0
8672	Hydrogen_Bond_Acceptor_Count	3
129307545	Defined_Bond_Stereo_Count	1
12302691	Total_Formal_Charge	0
71210615	Covalent_Unit_Count	1
5289531	Defined_Bond_Stereo_Count	0
16719	Covalent_Unit_Count	1
5289501	Molecular_Weight	348.5
149519	Non-hydrogen_Atom_Count	26
67313	Defined_Atom_Stereo_Count	0
703965	Mono_Isotopic_Weight	218.05138412
23663977	Hydrogen_Bond_Donor_Count	2
84986	Molecular_Weight	210.68
22263119	Total_Formal_Charge	0
133620	Structure_Complexity	275
3662392	Undefined_Atom_Stereo_Count	0
7518	Mono_Isotopic_Weight	109.052763847
138115739	Covalent_Unit_Count	4
54682463	Undefined_Bond_Stereo_Count	0
9855548	Hydrogen_Bond_Donor_Count	2
444030	Defined_Atom_Stereo_Count	1
70465919	Rotatable_Bond_Count	0
14195	Isotope_Atom_Count	0
11088	Exact_Mass	549.98658
25199807	Defined_Bond_Stereo_Count	2
67795854	Exact_Mass	342.11621151
634470	XLogP3-AA	3.9
12730529	Mono_Isotopic_Weight	156.078644241
81416328	Undefined_Atom_Stereo_Count	2
23678874	Tautomer_Count	1
10899025	Isotope_Atom_Count	0
12622744	Rotatable_Bond_Count	3
594557	Covalent_Unit_Count	1
4838	Molecular_Weight	165.21
13609260	Structure_Complexity	78.6
53931	Molecular_Weight	277.19
6929	Structure_Complexity	223
10931233	Hydrogen_Bond_Acceptor_Count	27
71478	Molecular_Weight	313.9
13400858	Defined_Atom_Stereo_Count	0
34831	Total_Formal_Charge	0
228506	Mono_Isotopic_Weight	140.02219199
2763750	Non-hydrogen_Atom_Count	16
67686	Structure_Complexity	336
289460	Hydrogen_Bond_Donor_Count	2
11683556	Defined_Atom_Stereo_Count	0
40894	Hydrogen_Bond_Acceptor_Count	1
13487685	Non-hydrogen_Atom_Count	7
80642	Tautomer_Count	1
86278404	Isotope_Atom_Count	0
53413800	Isotope_Atom_Count	0
21285	Mono_Isotopic_Weight	229.0425048
54521625	Hydrogen_Bond_Donor_Count	1
62708	Undefined_Bond_Stereo_Count	0
42807	Isotope_Atom_Count	0
60200126	Structure_Complexity	802
66342	Molecular_Weight	292.3
106824140	Molecular_Weight	115.13
120084	Structure_Complexity	30.7
5388936	Defined_Bond_Stereo_Count	0
18736933	Molecular_Weight	129.16
9554809	Undefined_Atom_Stereo_Count	0
170254	Total_Formal_Charge	0
143780	Structure_Complexity	63.4
58488970	Exact_Mass	110.109550447
102025584	Defined_Atom_Stereo_Count	10
92366	Defined_Atom_Stereo_Count	1
12654270	Defined_Bond_Stereo_Count	0
13820629	Total_Formal_Charge	0
9299	Isotope_Atom_Count	0
13463348	Undefined_Bond_Stereo_Count	0
163591174	Non-hydrogen_Atom_Count	7
12305037	Rotatable_Bond_Count	8
131460	Isotope_Atom_Count	0
141285438	Structure_Complexity	101
91861230	TPSA	190
12285886	Non-hydrogen_Atom_Count	12
687034	Covalent_Unit_Count	1
10996	Non-hydrogen_Atom_Count	7
374346	Defined_Bond_Stereo_Count	0
23432895	Defined_Bond_Stereo_Count	0
19883347	Tautomer_Count	1
54693468	Rotatable_Bond_Count	2
88257494	Mono_Isotopic_Weight	112.063662883
5282459	Hydrogen_Bond_Donor_Count	0
136130	Molecular_Weight	131.05
3033867	Tautomer_Count	1
19830271	Hydrogen_Bond_Acceptor_Count	1
1268185	Hydrogen_Bond_Acceptor_Count	3
19871	Hydrogen_Bond_Acceptor_Count	1
23667619	Undefined_Atom_Stereo_Count	0
14786532	Exact_Mass	111.068413911
91012209	Defined_Bond_Stereo_Count	0
10285780	Structure_Complexity	72.5
12256033	Covalent_Unit_Count	1
11378454	Defined_Bond_Stereo_Count	0
24946802	Undefined_Atom_Stereo_Count	0
3363	Undefined_Atom_Stereo_Count	3
285366	Hydrogen_Bond_Acceptor_Count	2
71481106	Hydrogen_Bond_Donor_Count	2
66304	Exact_Mass	154.054751968
16129759	Undefined_Bond_Stereo_Count	0
14535399	Defined_Atom_Stereo_Count	0
134436906	Structure_Complexity	885
69808	Isotope_Atom_Count	0
87716431	Exact_Mass	1058.0796341
78328	Hydrogen_Bond_Donor_Count	1
548545	Isotope_Atom_Count	0
12938	Non-hydrogen_Atom_Count	25
62379	Mono_Isotopic_Weight	355.18746
127441	Isotope_Atom_Count	0
564664	Non-hydrogen_Atom_Count	8
5257127	Structure_Complexity	37.4
22129000	Covalent_Unit_Count	1
2871	Mono_Isotopic_Weight	362.0144595
5460544	Mono_Isotopic_Weight	145.03750770
57782	Structure_Complexity	390
8567	Molecular_Weight	195.21
11839	Tautomer_Count	1
9904746	Structure_Complexity	108
85296	Exact_Mass	147.08301860
103544	Isotope_Atom_Count	0
11065	Hydrogen_Bond_Donor_Count	1
6426699	Hydrogen_Bond_Donor_Count	1
38910	Rotatable_Bond_Count	2
46274	Hydrogen_Bond_Donor_Count	1
11565289	Covalent_Unit_Count	1
10129928	Undefined_Bond_Stereo_Count	0
78224604	Total_Formal_Charge	1
135515430	Molecular_Weight	328.4
11397	Covalent_Unit_Count	1
139583540	TPSA	140
160230029	XLogP3-AA	0.8
53395259	Tautomer_Count	14
6420	Undefined_Atom_Stereo_Count	0
4369579	Isotope_Atom_Count	0
75494	Exact_Mass	294.01643791
72392	Isotope_Atom_Count	0
91282244	XLogP3-AA	1
57469742	Exact_Mass	114.031694049
1265	Isotope_Atom_Count	0
1069125	Defined_Bond_Stereo_Count	0
23567810	Structure_Complexity	111
166931	Mono_Isotopic_Weight	47.976501649
18689	Defined_Atom_Stereo_Count	0
10313106	Isotope_Atom_Count	0
15301053	Structure_Complexity	489
58750499	Defined_Atom_Stereo_Count	0
94830	Hydrogen_Bond_Donor_Count	1
25113635	Hydrogen_Bond_Acceptor_Count	22
448014	Structure_Complexity	371
57395447	TPSA	93.8
449619	Structure_Complexity	61.8
1640	Structure_Complexity	166
2723704	Hydrogen_Bond_Acceptor_Count	1
647120	Exact_Mass	403.1274391
2123	Isotope_Atom_Count	0
135421876	Mono_Isotopic_Weight	137.03375974
46942544	Mono_Isotopic_Weight	332.11071051
54765	Hydrogen_Bond_Acceptor_Count	6
9445	Structure_Complexity	186
47372	Hydrogen_Bond_Donor_Count	0
12275054	Total_Formal_Charge	0
9543169	Hydrogen_Bond_Donor_Count	9
1264	Structure_Complexity	784
23697816	TPSA	88.3
10472	Tautomer_Count	1
72311	Covalent_Unit_Count	2
30437	Undefined_Bond_Stereo_Count	0
10813807	XLogP3-AA	1
10712	Mono_Isotopic_Weight	342.11621151
4497	XLogP3	3.1
56928080	Covalent_Unit_Count	1
10275789	XLogP3-AA	3.8
131676399	Exact_Mass	378.13146766
125110	Isotope_Atom_Count	0
285033	Defined_Atom_Stereo_Count	4
22385738	Total_Formal_Charge	0
531	Structure_Complexity	1450
9861147	Mono_Isotopic_Weight	300.208930132
10931394	Mono_Isotopic_Weight	112.063662883
66749731	Undefined_Bond_Stereo_Count	0
91298647	Total_Formal_Charge	0
10857507	Exact_Mass	238.06886740
85339	Hydrogen_Bond_Donor_Count	1
135565903	Rotatable_Bond_Count	2
25160	TPSA	46.6
61041	Undefined_Bond_Stereo_Count	0
13601742	Hydrogen_Bond_Acceptor_Count	2
274082	Rotatable_Bond_Count	10
57404290	Undefined_Atom_Stereo_Count	1
19845539	Hydrogen_Bond_Acceptor_Count	3
524653	Mono_Isotopic_Weight	98.109550447
9948588	Defined_Atom_Stereo_Count	0
8626	Defined_Bond_Stereo_Count	0
79784	Total_Formal_Charge	0
398658	Hydrogen_Bond_Donor_Count	1
141407440	Non-hydrogen_Atom_Count	8
829795	Hydrogen_Bond_Donor_Count	2
5311221	Structure_Complexity	526
1136	Total_Formal_Charge	0
138076	Structure_Complexity	60.1
107918	Hydrogen_Bond_Donor_Count	11
10654193	Undefined_Atom_Stereo_Count	0
62766	Total_Formal_Charge	0
34231	Isotope_Atom_Count	0
59295925	Molecular_Weight	568.5
59270	Molecular_Weight	402.3
72665	Isotope_Atom_Count	0
21921	Structure_Complexity	6
54463873	Isotope_Atom_Count	0
34676239	Structure_Complexity	389
107697	Undefined_Bond_Stereo_Count	0
12394845	Undefined_Atom_Stereo_Count	1
2728077	Exact_Mass	215.094628657
143682218	Hydrogen_Bond_Acceptor_Count	1
7447	Molecular_Weight	168.15
50894	Molecular_Weight	308.37
446871	Molecular_Weight	466.4
73285	Structure_Complexity	409
6971	Non-hydrogen_Atom_Count	13
9926832	Molecular_Weight	313.4
757435	Exact_Mass	343.1339066
12688	Undefined_Bond_Stereo_Count	0
11007917	Undefined_Atom_Stereo_Count	0
15786916	Non-hydrogen_Atom_Count	3
22833341	Total_Formal_Charge	0
614	Defined_Atom_Stereo_Count	0
97536	Isotope_Atom_Count	0
91245129	Undefined_Atom_Stereo_Count	0
19259	Undefined_Atom_Stereo_Count	0
68093	Structure_Complexity	324
8823	Molecular_Weight	122.21
46224572	TPSA	81.6
44123300	Defined_Bond_Stereo_Count	0
137331882	Covalent_Unit_Count	2
119086017	Undefined_Atom_Stereo_Count	0
12111	Mono_Isotopic_Weight	200.083729621
41095	Exact_Mass	249.172878976
6945	Hydrogen_Bond_Donor_Count	0
58612101	Isotope_Atom_Count	0
102090390	Hydrogen_Bond_Acceptor_Count	0
2993	Isotope_Atom_Count	0
56845689	Total_Formal_Charge	0
18787	Defined_Bond_Stereo_Count	0
86100	Hydrogen_Bond_Acceptor_Count	8
179822	Undefined_Atom_Stereo_Count	0
41023	Hydrogen_Bond_Acceptor_Count	3
13159184	Exact_Mass	164.06847348
116842112	Undefined_Atom_Stereo_Count	2
89220373	Hydrogen_Bond_Donor_Count	5
6869	Molecular_Weight	350.4
23994	Structure_Complexity	0
2969	Hydrogen_Bond_Donor_Count	1
65576	Isotope_Atom_Count	0
7195	Undefined_Atom_Stereo_Count	0
5324	Covalent_Unit_Count	1
21996	Undefined_Atom_Stereo_Count	1
1057	Total_Formal_Charge	0
5364932	Hydrogen_Bond_Donor_Count	1
5289534	Isotope_Atom_Count	0
522390	Structure_Complexity	34.8
439750	Hydrogen_Bond_Donor_Count	2
81927	Rotatable_Bond_Count	9
10799	Non-hydrogen_Atom_Count	20
46877881	Defined_Bond_Stereo_Count	0
54328926	Defined_Bond_Stereo_Count	0
11268547	Non-hydrogen_Atom_Count	25
18732	Structure_Complexity	79.6
6025	Total_Formal_Charge	0
19027815	Mono_Isotopic_Weight	107.073499291
851992	Isotope_Atom_Count	0
73013349	Total_Formal_Charge	0
66840	Covalent_Unit_Count	1
5481119	Defined_Bond_Stereo_Count	0
602731	Isotope_Atom_Count	0
23684896	Total_Formal_Charge	0
90728924	Undefined_Bond_Stereo_Count	0
225688	Defined_Bond_Stereo_Count	0
53708930	Mono_Isotopic_Weight	101.047678466
3877	Hydrogen_Bond_Donor_Count	2
12809444	Mono_Isotopic_Weight	179.058243149
74864	Defined_Bond_Stereo_Count	0
9955534	Defined_Bond_Stereo_Count	0
6927356	Non-hydrogen_Atom_Count	12
13516401	Defined_Atom_Stereo_Count	0
155290	Total_Formal_Charge	0
780	Rotatable_Bond_Count	2
69985	Undefined_Atom_Stereo_Count	0
453307	XLogP3-AA	1.6
41955	Isotope_Atom_Count	0
52161	Exact_Mass	71.073499291
4752	Undefined_Bond_Stereo_Count	0
19083150	TPSA	17.8
66487	Covalent_Unit_Count	1
18502	Isotope_Atom_Count	0
86287517	Defined_Bond_Stereo_Count	0
134688930	Non-hydrogen_Atom_Count	23
84647614	Structure_Complexity	53.7
447001	Mono_Isotopic_Weight	302.08923998
23687713	Molecular_Weight	231.20
71717902	Exact_Mass	171.08211746
57390217	Exact_Mass	513.27399000
108147	Tautomer_Count	96
67180	Molecular_Weight	73.09
9822866	Exact_Mass	410.1761058
13739752	Covalent_Unit_Count	1
117120	Rotatable_Bond_Count	4
7338	TPSA	29.5
165360129	Mono_Isotopic_Weight	1248.62378324
44431171	Defined_Atom_Stereo_Count	2
3856	Defined_Atom_Stereo_Count	0
95616	Structure_Complexity	618
53873414	Defined_Atom_Stereo_Count	0
3968000	Non-hydrogen_Atom_Count	28
21724548	Undefined_Bond_Stereo_Count	0
156326	Structure_Complexity	363
145705978	Undefined_Bond_Stereo_Count	0
633546	Hydrogen_Bond_Donor_Count	0
33477	Structure_Complexity	774
66678	Defined_Bond_Stereo_Count	0
37933	Non-hydrogen_Atom_Count	28
388136	Rotatable_Bond_Count	1
20093425	TPSA	54.7
5362689	Isotope_Atom_Count	0
87491756	Non-hydrogen_Atom_Count	8
5106600	Structure_Complexity	103
54057642	Non-hydrogen_Atom_Count	7
71311204	Non-hydrogen_Atom_Count	10
8705	Undefined_Bond_Stereo_Count	0
23668002	Isotope_Atom_Count	0
174240	Hydrogen_Bond_Donor_Count	1
701808	Defined_Atom_Stereo_Count	1
99295	Defined_Atom_Stereo_Count	0
131801164	Molecular_Weight	453.6
6021893	Undefined_Bond_Stereo_Count	0
36688155	TPSA	162
3080719	Isotope_Atom_Count	0
12200171	Covalent_Unit_Count	1
12255457	Hydrogen_Bond_Donor_Count	0
5896	Defined_Atom_Stereo_Count	0
22087370	Defined_Atom_Stereo_Count	0
71305059	Defined_Atom_Stereo_Count	2
13380150	Molecular_Weight	114.19
44339136	Mono_Isotopic_Weight	513.1158910
53316385	Mono_Isotopic_Weight	603.1691619
71336	Isotope_Atom_Count	0
28754	Tautomer_Count	1
11693896	Rotatable_Bond_Count	1
61120	Mono_Isotopic_Weight	263.15214353
129533	Exact_Mass	254.09027155
66062	Hydrogen_Bond_Acceptor_Count	4
5371246	Undefined_Bond_Stereo_Count	0
358	Total_Formal_Charge	0
14434846	Undefined_Bond_Stereo_Count	0
48207	Defined_Atom_Stereo_Count	0
450268	Hydrogen_Bond_Acceptor_Count	4
79875564	Hydrogen_Bond_Donor_Count	1
65663	Undefined_Atom_Stereo_Count	0
847313	Mono_Isotopic_Weight	296.09431156
73398	Hydrogen_Bond_Donor_Count	2
70337	Defined_Atom_Stereo_Count	0
76263	Rotatable_Bond_Count	4
9848	Mono_Isotopic_Weight	87.048427358
6451464	Covalent_Unit_Count	1
163090689	Undefined_Bond_Stereo_Count	0
5281033	Isotope_Atom_Count	0
2649	Defined_Atom_Stereo_Count	0
446308	Isotope_Atom_Count	0
1206	XLogP3	2.1
67411	Non-hydrogen_Atom_Count	21
1326	Total_Formal_Charge	0
101707	Undefined_Atom_Stereo_Count	1
12350	TPSA	0
19068741	Non-hydrogen_Atom_Count	7
12150354	Structure_Complexity	46.8
9568628	Undefined_Atom_Stereo_Count	0
14842863	TPSA	149
65106	Structure_Complexity	403
3856780	Structure_Complexity	417
70694239	Hydrogen_Bond_Donor_Count	1
12455727	Non-hydrogen_Atom_Count	8
18177388	Undefined_Atom_Stereo_Count	1
119202	Molecular_Weight	388.5
17480032	Structure_Complexity	313
378309	XLogP3-AA	2.3
78323	Hydrogen_Bond_Donor_Count	2
17652	XLogP3	1.2
5368010	Tautomer_Count	1
21071390	Rotatable_Bond_Count	9
12867	Hydrogen_Bond_Acceptor_Count	2
25142176	Undefined_Atom_Stereo_Count	0
54712709	Rotatable_Bond_Count	2
76373	Defined_Atom_Stereo_Count	0
317062	Covalent_Unit_Count	1
10882	Defined_Bond_Stereo_Count	0
3964633	Undefined_Bond_Stereo_Count	0
25169133	Molecular_Weight	349.75
20136721	Hydrogen_Bond_Acceptor_Count	2
85824359	Non-hydrogen_Atom_Count	8
74633	Rotatable_Bond_Count	5
80483237	Mono_Isotopic_Weight	108.057514874
69371	Hydrogen_Bond_Donor_Count	2
40479693	Hydrogen_Bond_Acceptor_Count	12
5460094	Structure_Complexity	756
88481084	Exact_Mass	422.36670574
33255	Rotatable_Bond_Count	7
136219153	Molecular_Weight	394.9
71448903	TPSA	389
21189113	Non-hydrogen_Atom_Count	7
7319	Isotope_Atom_Count	0
77449069	Total_Formal_Charge	0
124247	Exact_Mass	209.10519334
57340110	Defined_Atom_Stereo_Count	0
200213	Total_Formal_Charge	0
139502	Hydrogen_Bond_Donor_Count	0
28961	Covalent_Unit_Count	1
68027	Isotope_Atom_Count	0
104940	Exact_Mass	338.07903816
12692921	Isotope_Atom_Count	0
129720364	Hydrogen_Bond_Donor_Count	3
117891679	Rotatable_Bond_Count	1
22507733	TPSA	21.3
53779803	Structure_Complexity	51.9
87700	Hydrogen_Bond_Donor_Count	0
3476986	Molecular_Weight	292.3
705935	Undefined_Bond_Stereo_Count	0
60196361	Hydrogen_Bond_Acceptor_Count	2
60196320	Exact_Mass	259.1339066
122672156	Defined_Atom_Stereo_Count	0
9546757	Defined_Atom_Stereo_Count	1
118499237	Isotope_Atom_Count	0
20493118	Isotope_Atom_Count	0
9306	Total_Formal_Charge	0
157920	Defined_Atom_Stereo_Count	4
6602383	Undefined_Bond_Stereo_Count	0
413540	Exact_Mass	264.162648646
135977933	Hydrogen_Bond_Acceptor_Count	0
9802673	Hydrogen_Bond_Donor_Count	6
283242	Hydrogen_Bond_Acceptor_Count	2
46782912	TPSA	62.3
10407447	Hydrogen_Bond_Acceptor_Count	1
92943	Defined_Atom_Stereo_Count	1
21122483	Structure_Complexity	176
7048523	Defined_Bond_Stereo_Count	0
3074827	Molecular_Weight	256.34
6837	Covalent_Unit_Count	1
8210	Mono_Isotopic_Weight	218.18819469
114849	Isotope_Atom_Count	0
141829	Tautomer_Count	1
156599244	Undefined_Bond_Stereo_Count	1
9913968	Hydrogen_Bond_Acceptor_Count	12
11953895	Structure_Complexity	119
696	Defined_Atom_Stereo_Count	0
950480	Undefined_Atom_Stereo_Count	0
124426476	Defined_Atom_Stereo_Count	8
13838	Isotope_Atom_Count	0
58084	Undefined_Bond_Stereo_Count	0
159296	Isotope_Atom_Count	0
87315833	Structure_Complexity	31
23679004	Total_Formal_Charge	0
42539	Molecular_Weight	254.3
9340	Molecular_Weight	286.8
132837	Undefined_Atom_Stereo_Count	0
76960246	Mono_Isotopic_Weight	449.059366
6433197	Molecular_Weight	518.5
2313	Non-hydrogen_Atom_Count	21
18527351	Undefined_Bond_Stereo_Count	0
67518639	Undefined_Bond_Stereo_Count	0
15368893	Isotope_Atom_Count	0
54682461	Defined_Atom_Stereo_Count	2
12562	Non-hydrogen_Atom_Count	16
122130461	Defined_Atom_Stereo_Count	1
14511497	Molecular_Weight	117.15
443955	Molecular_Weight	350.5
3082	TPSA	105
60196294	Isotope_Atom_Count	0
9255	Covalent_Unit_Count	1
19373541	Molecular_Weight	116.07
62719	Hydrogen_Bond_Donor_Count	0
115162	Hydrogen_Bond_Acceptor_Count	7
6918146	Defined_Atom_Stereo_Count	0
115739	Undefined_Atom_Stereo_Count	1
5748152	Total_Formal_Charge	0
53709010	Mono_Isotopic_Weight	188.11609238
17929084	Undefined_Atom_Stereo_Count	0
72016	Exact_Mass	216.126263138
5240	Structure_Complexity	42.9
3035894	Defined_Bond_Stereo_Count	0
251143	Rotatable_Bond_Count	1
13562	Rotatable_Bond_Count	3
134032	Hydrogen_Bond_Donor_Count	0
2762892	Structure_Complexity	74.9
44864	Rotatable_Bond_Count	5
54675854	Exact_Mass	151.039519081
9400	Non-hydrogen_Atom_Count	32
66124	Undefined_Atom_Stereo_Count	0
1470718	Covalent_Unit_Count	1
20605391	Covalent_Unit_Count	1
10909501	Undefined_Bond_Stereo_Count	0
17360	Exact_Mass	451.13721
45467	Hydrogen_Bond_Acceptor_Count	6
55362	Undefined_Bond_Stereo_Count	0
487	Undefined_Atom_Stereo_Count	0
22910010	Undefined_Bond_Stereo_Count	0
94297	Hydrogen_Bond_Donor_Count	0
7642	XLogP3-AA	8.5
14644797	Defined_Bond_Stereo_Count	0
6451151	Total_Formal_Charge	0
22316388	Molecular_Weight	108.10
7190	Non-hydrogen_Atom_Count	16
443878	Mono_Isotopic_Weight	475.25700252
23666830	Isotope_Atom_Count	0
31824	Non-hydrogen_Atom_Count	19
133057415	Hydrogen_Bond_Acceptor_Count	3
92128	Isotope_Atom_Count	0
89133905	Hydrogen_Bond_Donor_Count	1
69501250	Defined_Bond_Stereo_Count	0
3781988	Structure_Complexity	609
10491069	Molecular_Weight	253.21
20583864	Structure_Complexity	70.8
121750	TPSA	98.5
169005	Undefined_Bond_Stereo_Count	0
66082	Rotatable_Bond_Count	2
213021	Structure_Complexity	280
31215	Total_Formal_Charge	0
71332025	Total_Formal_Charge	0
35330	Defined_Bond_Stereo_Count	0
92094	Hydrogen_Bond_Acceptor_Count	2
3082042	Mono_Isotopic_Weight	930.50757173
12536263	Hydrogen_Bond_Donor_Count	3
45479834	Non-hydrogen_Atom_Count	17
193168	Hydrogen_Bond_Donor_Count	2
11954350	Structure_Complexity	593
639662	Molecular_Weight	98.19
17776820	Mono_Isotopic_Weight	110.109550447
16759993	Defined_Atom_Stereo_Count	2
23678	Structure_Complexity	146
24848261	Isotope_Atom_Count	0
14058558	Mono_Isotopic_Weight	346.23080839
5355026	Exact_Mass	218.167065321
3053	Hydrogen_Bond_Acceptor_Count	13
253878	Defined_Atom_Stereo_Count	0
23663992	Tautomer_Count	4
91468768	Structure_Complexity	161
23668002	Undefined_Bond_Stereo_Count	0
25167947	XLogP3-AA	4.7
49227	Rotatable_Bond_Count	5
6432459	Structure_Complexity	432
21954776	TPSA	55.4
156465	Tautomer_Count	423
4274588	Defined_Bond_Stereo_Count	0
4489	Non-hydrogen_Atom_Count	51
80230	Rotatable_Bond_Count	0
148763531	Defined_Atom_Stereo_Count	0
791998	Exact_Mass	322.168127949
114789	XLogP3-AA	0.6
129671450	Mono_Isotopic_Weight	71.037113783
11051611	Exact_Mass	113.084063974
24867465	Molecular_Weight	341.83
1268142	TPSA	17.1
24750	Undefined_Atom_Stereo_Count	0
68652936	Hydrogen_Bond_Acceptor_Count	2
480785	Exact_Mass	424.18858861
130866606	Structure_Complexity	131
71584162	Undefined_Atom_Stereo_Count	0
118388029	Undefined_Bond_Stereo_Count	0
162681	TPSA	99.1
151318	Defined_Atom_Stereo_Count	0
45488115	Total_Formal_Charge	0
39268	Defined_Atom_Stereo_Count	0
649	Hydrogen_Bond_Donor_Count	2
54583932	Hydrogen_Bond_Acceptor_Count	4
118701016	Rotatable_Bond_Count	26
409642	Structure_Complexity	349
16678045	Hydrogen_Bond_Donor_Count	2
21998212	Structure_Complexity	91.7
9823454	XLogP3-AA	4.2
10290773	Hydrogen_Bond_Acceptor_Count	3
54573150	Mono_Isotopic_Weight	111.068413911
4223	Rotatable_Bond_Count	7
17279	Total_Formal_Charge	0
616631	Undefined_Bond_Stereo_Count	0
6722	Tautomer_Count	6
452521	Covalent_Unit_Count	1
12939	Exact_Mass	348.24129289
86784	Structure_Complexity	85
10758	Isotope_Atom_Count	0
75531	Non-hydrogen_Atom_Count	14
694857	Total_Formal_Charge	0
14677	Structure_Complexity	339
24891701	Rotatable_Bond_Count	5
9875384	Covalent_Unit_Count	1
10355	Total_Formal_Charge	0
24860518	Covalent_Unit_Count	1
95200	Hydrogen_Bond_Donor_Count	0
5311429	Hydrogen_Bond_Donor_Count	2
40539	Structure_Complexity	265
130779	Rotatable_Bond_Count	2
3140955	Undefined_Bond_Stereo_Count	0
139044268	Hydrogen_Bond_Acceptor_Count	2
102447462	Hydrogen_Bond_Donor_Count	5
4369413	Mono_Isotopic_Weight	370.08480950
763936	Rotatable_Bond_Count	1
73246	Isotope_Atom_Count	0
115260	Undefined_Atom_Stereo_Count	0
76538	Defined_Bond_Stereo_Count	0
14511	Defined_Bond_Stereo_Count	0
16667738	Rotatable_Bond_Count	11
22022770	Structure_Complexity	68.2
712078	Non-hydrogen_Atom_Count	22
4695	Undefined_Bond_Stereo_Count	0
971	TPSA	74.6
2568	Non-hydrogen_Atom_Count	10
102242609	Non-hydrogen_Atom_Count	24
5289158	Covalent_Unit_Count	1
24901141	Hydrogen_Bond_Acceptor_Count	6
9579578	Undefined_Atom_Stereo_Count	0
89233	Covalent_Unit_Count	1
9839581	Total_Formal_Charge	0
90479783	Undefined_Atom_Stereo_Count	0
161810	Total_Formal_Charge	0
11051610	Undefined_Bond_Stereo_Count	0
165704207	Covalent_Unit_Count	1
3086652	Undefined_Atom_Stereo_Count	0
54328926	Total_Formal_Charge	0
465951	Exact_Mass	353.12094084
21670561	TPSA	0
387447	Tautomer_Count	4
69341269	Total_Formal_Charge	0
16698	Exact_Mass	298.97249195
36821	Rotatable_Bond_Count	2
73455777	Mono_Isotopic_Weight	112.088815002
159324	Isotope_Atom_Count	0
11962143	TPSA	129
305560	TPSA	41.6
2014	Molecular_Weight	288.73
12500500	Hydrogen_Bond_Donor_Count	0
3806114	Mono_Isotopic_Weight	148.00078784
118513932	Non-hydrogen_Atom_Count	30
70500258	Defined_Atom_Stereo_Count	0
656506	Isotope_Atom_Count	0
51082	Undefined_Atom_Stereo_Count	0
471360	Structure_Complexity	230
153448834	Mono_Isotopic_Weight	284.16237386
123373137	Molecular_Weight	301.36
22627013	Undefined_Bond_Stereo_Count	0
7506	Defined_Bond_Stereo_Count	0
49866945	Defined_Bond_Stereo_Count	0
721861	Rotatable_Bond_Count	5
6481	Covalent_Unit_Count	1
66068	Defined_Atom_Stereo_Count	0
23287	Defined_Atom_Stereo_Count	0
21493122	Rotatable_Bond_Count	2
26556	TPSA	24.1
16132316	Structure_Complexity	7850
15720326	Non-hydrogen_Atom_Count	12
88267	Hydrogen_Bond_Acceptor_Count	1
52361	Undefined_Atom_Stereo_Count	1
36255	TPSA	163
37464	Total_Formal_Charge	0
132939820	Hydrogen_Bond_Donor_Count	5
162636	Non-hydrogen_Atom_Count	11
5494449	Mono_Isotopic_Weight	464.21067872
24832095	Total_Formal_Charge	0
713762	Hydrogen_Bond_Acceptor_Count	5
3058839	Hydrogen_Bond_Acceptor_Count	3
9823302	Exact_Mass	421.036590
71171	Total_Formal_Charge	0
13912815	Hydrogen_Bond_Donor_Count	2
78320408	Covalent_Unit_Count	1
67258919	Undefined_Atom_Stereo_Count	0
87438804	Exact_Mass	104.094963011
71671	Hydrogen_Bond_Acceptor_Count	2
73364	TPSA	84.5
735940	Hydrogen_Bond_Donor_Count	0
8993	Rotatable_Bond_Count	6
24856436	Covalent_Unit_Count	1
101469918	Defined_Atom_Stereo_Count	5
54688694	Tautomer_Count	288
9869218	Mono_Isotopic_Weight	467.1247985
545093	Hydrogen_Bond_Donor_Count	1
126969105	TPSA	80.7
38963	Covalent_Unit_Count	2
86501	Undefined_Atom_Stereo_Count	1
15940170	Rotatable_Bond_Count	7
2740171	Exact_Mass	274.0985242
25164108	Molecular_Weight	273.76
2433	Hydrogen_Bond_Acceptor_Count	14
7259	Isotope_Atom_Count	0
149784	Exact_Mass	277.19026037
86277	Molecular_Weight	304.73
22313123	Total_Formal_Charge	0
156419	Structure_Complexity	422
13427567	Structure_Complexity	54.5
10486803	Undefined_Bond_Stereo_Count	0
717663	Mono_Isotopic_Weight	281.116426730
10102486	Undefined_Bond_Stereo_Count	0
6057875	Hydrogen_Bond_Acceptor_Count	14
70783	Hydrogen_Bond_Acceptor_Count	1
62173	Defined_Bond_Stereo_Count	0
70268689	XLogP3-AA	0.2
58645448	TPSA	20.2
86260	Molecular_Weight	376.9
27347	Non-hydrogen_Atom_Count	17
54003766	Defined_Bond_Stereo_Count	0
48288	Non-hydrogen_Atom_Count	22
18321713	Isotope_Atom_Count	0
22213349	Defined_Atom_Stereo_Count	0
250079	Hydrogen_Bond_Acceptor_Count	6
92140	Structure_Complexity	1230
138077	Covalent_Unit_Count	1
12755	Exact_Mass	109.052763847
27882	Hydrogen_Bond_Acceptor_Count	2
5289382	Covalent_Unit_Count	1
6091	Hydrogen_Bond_Donor_Count	1
53674114	Covalent_Unit_Count	1
77013	Undefined_Atom_Stereo_Count	0
122152	Exact_Mass	581.07329
61181	Undefined_Bond_Stereo_Count	0
5459213	Defined_Atom_Stereo_Count	3
968625	Total_Formal_Charge	0
81416328	Mono_Isotopic_Weight	114.104465066
54605730	Undefined_Atom_Stereo_Count	1
46201499	Non-hydrogen_Atom_Count	11
70695640	Undefined_Atom_Stereo_Count	1
161166	Undefined_Bond_Stereo_Count	0
77080	Covalent_Unit_Count	1
556303	TPSA	0
21932619	Hydrogen_Bond_Acceptor_Count	10
53930639	Defined_Bond_Stereo_Count	0
80281	Undefined_Atom_Stereo_Count	0
20393	Covalent_Unit_Count	1
36188	Defined_Bond_Stereo_Count	0
85032	Undefined_Atom_Stereo_Count	0
3979	XLogP3-AA	6.2
130038395	Mono_Isotopic_Weight	124.02483259
11527635	Non-hydrogen_Atom_Count	47
53631439	Molecular_Weight	113.11
70265	Hydrogen_Bond_Donor_Count	2
4110039	Non-hydrogen_Atom_Count	8
36159	Covalent_Unit_Count	1
146170507	Undefined_Atom_Stereo_Count	0
3176	Isotope_Atom_Count	0
22002061	Non-hydrogen_Atom_Count	8
117859259	Exact_Mass	108.032362755
12048	Exact_Mass	100.125200510
18402	Hydrogen_Bond_Acceptor_Count	2
24287	Structure_Complexity	19.1
715513	Hydrogen_Bond_Acceptor_Count	3
26398	Undefined_Atom_Stereo_Count	0
643312	Hydrogen_Bond_Donor_Count	2
517327	Rotatable_Bond_Count	1
46879873	Defined_Bond_Stereo_Count	0
139084136	Undefined_Atom_Stereo_Count	0
5087	Exact_Mass	278.16304257
3544692	Total_Formal_Charge	0
445858	Hydrogen_Bond_Acceptor_Count	4
12443367	Exact_Mass	82.027946081
6432565	Mono_Isotopic_Weight	272.177630004
8257	XLogP3-AA	0.8
136070	Rotatable_Bond_Count	0
22591521	Isotope_Atom_Count	0
73425158	Hydrogen_Bond_Acceptor_Count	1
21359608	Hydrogen_Bond_Acceptor_Count	3
148449100	Undefined_Atom_Stereo_Count	2
3608	Defined_Bond_Stereo_Count	0
5280497	Defined_Atom_Stereo_Count	5
5329016	Total_Formal_Charge	0
13977927	Exact_Mass	100.052429494
25246274	Covalent_Unit_Count	1
155713	XLogP3	0.8
18459757	Undefined_Bond_Stereo_Count	0
461	Hydrogen_Bond_Donor_Count	0
186003	Mono_Isotopic_Weight	103.042199164
4059	XLogP3	1.4
4248	Defined_Bond_Stereo_Count	0
5311381	Hydrogen_Bond_Donor_Count	2
3389	Isotope_Atom_Count	0
17825268	Hydrogen_Bond_Acceptor_Count	3
10996972	XLogP3-AA	1.4
23695767	Total_Formal_Charge	0
108835	Defined_Bond_Stereo_Count	0
2733336	Structure_Complexity	10.8
541384	Hydrogen_Bond_Acceptor_Count	3
8386	Undefined_Atom_Stereo_Count	0
164511488	Hydrogen_Bond_Donor_Count	4
188414	Structure_Complexity	109
946899	Undefined_Bond_Stereo_Count	0
5497143	Molecular_Weight	835.6
115205	Covalent_Unit_Count	1
96759	Exact_Mass	304.121177757
55289794	Defined_Bond_Stereo_Count	0
12167	Tautomer_Count	1
123298537	Non-hydrogen_Atom_Count	8
66783827	Defined_Bond_Stereo_Count	0
21685	Exact_Mass	206.167065321
76442017	Exact_Mass	114.068079557
68066	Total_Formal_Charge	0
155649598	Covalent_Unit_Count	1
2764874	Exact_Mass	264.07103389
92185	Tautomer_Count	1
135465079	Mono_Isotopic_Weight	194.105527694
44570889	Hydrogen_Bond_Donor_Count	2
20848883	Mono_Isotopic_Weight	561.0801915
11303	Isotope_Atom_Count	0
7685	Hydrogen_Bond_Acceptor_Count	2
6537197	Tautomer_Count	2
25231140	Rotatable_Bond_Count	3
6918218	Exact_Mass	397.08313774
129738164	Defined_Bond_Stereo_Count	0
311434	Hydrogen_Bond_Donor_Count	2
123618	Rotatable_Bond_Count	4
9433	Defined_Bond_Stereo_Count	0
34757	Total_Formal_Charge	0
15031772	Rotatable_Bond_Count	0
129852452	Total_Formal_Charge	0
28397	Non-hydrogen_Atom_Count	23
89748954	Undefined_Atom_Stereo_Count	2
8373	Undefined_Bond_Stereo_Count	0
85065	Undefined_Bond_Stereo_Count	0
90800669	Rotatable_Bond_Count	1
51066536	Structure_Complexity	675
57397970	Defined_Atom_Stereo_Count	1
1098	Mono_Isotopic_Weight	864.30653146
14142596	Isotope_Atom_Count	0
705467	TPSA	49.8
15664	Molecular_Weight	184.24
14351762	Defined_Atom_Stereo_Count	0
6271	Defined_Bond_Stereo_Count	0
16654980	Covalent_Unit_Count	1
66602654	Non-hydrogen_Atom_Count	8
9754	Mono_Isotopic_Weight	201.96548
18506394	Total_Formal_Charge	0
44443933	Exact_Mass	486.20492463
135415564	XLogP3-AA	5.6
21983433	Molecular_Weight	293.49
24971342	Undefined_Bond_Stereo_Count	0
11768518	Defined_Bond_Stereo_Count	0
55285439	Rotatable_Bond_Count	0
251513	Structure_Complexity	258
64992139	Rotatable_Bond_Count	1
22805729	Structure_Complexity	621
44620953	Undefined_Atom_Stereo_Count	0
130025113	Rotatable_Bond_Count	0
10486805	Defined_Atom_Stereo_Count	0
10931394	XLogP3-AA	0.2
3305	Defined_Atom_Stereo_Count	0
54678407	Rotatable_Bond_Count	2
139079008	Defined_Bond_Stereo_Count	0
70926	Molecular_Weight	213.3
296659	Undefined_Atom_Stereo_Count	1
3306	Defined_Atom_Stereo_Count	0
21718305	Covalent_Unit_Count	1
12511868	XLogP3-AA	1.3
185792	Defined_Bond_Stereo_Count	0
6420020	Structure_Complexity	494
139054114	Non-hydrogen_Atom_Count	42
2545	Hydrogen_Bond_Acceptor_Count	4
731747	Total_Formal_Charge	0
69462477	Structure_Complexity	76.8
10784	Mono_Isotopic_Weight	219.93851
12358970	Undefined_Atom_Stereo_Count	0
16161315	Hydrogen_Bond_Donor_Count	22
141411141	Hydrogen_Bond_Acceptor_Count	2
65506	Non-hydrogen_Atom_Count	36
6604902	Molecular_Weight	465.9
6951129	Defined_Bond_Stereo_Count	0
135018	Structure_Complexity	460
10855394	Hydrogen_Bond_Donor_Count	1
44183569	TPSA	168
4695	Defined_Atom_Stereo_Count	0
71916	Hydrogen_Bond_Acceptor_Count	4
2229	Tautomer_Count	1
55288198	Rotatable_Bond_Count	0
3899	Undefined_Bond_Stereo_Count	0
8192	Molecular_Weight	204.78
101598717	Defined_Bond_Stereo_Count	0
23675339	Hydrogen_Bond_Acceptor_Count	7
14072448	Total_Formal_Charge	0
56962215	TPSA	29.5
25014844	Molecular_Weight	476.6
175533	Total_Formal_Charge	0
13711	Non-hydrogen_Atom_Count	16
254021	Undefined_Bond_Stereo_Count	0
28864	Exact_Mass	338.21066147
1438038	Undefined_Bond_Stereo_Count	0
254132	Hydrogen_Bond_Donor_Count	1
23378923	Hydrogen_Bond_Donor_Count	1
5311010	Structure_Complexity	1770
63686	Mono_Isotopic_Weight	517.02418
165971	Molecular_Weight	151.990
705715	Structure_Complexity	381
91163310	Hydrogen_Bond_Donor_Count	0
140789	Undefined_Atom_Stereo_Count	0
69862751	Non-hydrogen_Atom_Count	10
135391165	Defined_Bond_Stereo_Count	1
15940197	Hydrogen_Bond_Donor_Count	5
9860946	Structure_Complexity	414
55212037	Undefined_Bond_Stereo_Count	0
55285004	Hydrogen_Bond_Acceptor_Count	2
138924	Non-hydrogen_Atom_Count	7
5081356	XLogP3-AA	2.4
46937085	Mono_Isotopic_Weight	433.23654186
324081	Exact_Mass	221.095297364
5359853	TPSA	74.6
15778463	TPSA	26.3
12865500	Exact_Mass	116.083729621
873	Hydrogen_Bond_Donor_Count	2
29393	Hydrogen_Bond_Acceptor_Count	8
10678204	Hydrogen_Bond_Donor_Count	1
6950337	Rotatable_Bond_Count	2
12508473	Isotope_Atom_Count	0
3729	Non-hydrogen_Atom_Count	14
15889752	Mono_Isotopic_Weight	102.068079557
10539198	Hydrogen_Bond_Donor_Count	4
11949597	TPSA	69.4
60803	Hydrogen_Bond_Acceptor_Count	5
206693	Defined_Atom_Stereo_Count	0
439231	Mono_Isotopic_Weight	74.036779430
3340552	Covalent_Unit_Count	1
2789	Defined_Bond_Stereo_Count	0
6795	Undefined_Bond_Stereo_Count	0
3763	Non-hydrogen_Atom_Count	10
67938294	Non-hydrogen_Atom_Count	7
17569	Covalent_Unit_Count	1
21580808	Molecular_Weight	273.37
126963478	XLogP3-AA	2.5
54610154	Undefined_Bond_Stereo_Count	0
525785	XLogP3-AA	1.6
405908	Hydrogen_Bond_Donor_Count	2
3011155	Undefined_Bond_Stereo_Count	0
15920952	Defined_Atom_Stereo_Count	0
135608329	Isotope_Atom_Count	0
74918	Non-hydrogen_Atom_Count	15
54234844	Total_Formal_Charge	0
154170332	Undefined_Bond_Stereo_Count	0
11522448	Mono_Isotopic_Weight	310.1369878
24750	Isotope_Atom_Count	0
53974092	TPSA	43.1
319771	Tautomer_Count	5
13699300	TPSA	35.5
90469695	Isotope_Atom_Count	0
17073	Molecular_Weight	159.44
9804302	Exact_Mass	460.13379358
146935695	XLogP3-AA	0.8
23000221	Covalent_Unit_Count	1
61014	Hydrogen_Bond_Donor_Count	0
101116130	Mono_Isotopic_Weight	108.032362755
89374436	Defined_Atom_Stereo_Count	0
44349928	Structure_Complexity	251
135398517	Molecular_Weight	176.17
90936519	XLogP3-AA	7.5
91754428	Undefined_Atom_Stereo_Count	1
163276613	XLogP3-AA	0.5
76965007	Structure_Complexity	506
75240	Rotatable_Bond_Count	1
7244	Tautomer_Count	3
5329020	Undefined_Bond_Stereo_Count	0
135398633	Covalent_Unit_Count	1
14233	Non-hydrogen_Atom_Count	8
54601151	Total_Formal_Charge	0
87292009	Total_Formal_Charge	0
32040	Rotatable_Bond_Count	5
9548619	Isotope_Atom_Count	0
12089	Exact_Mass	152.058577502
10820486	Structure_Complexity	177
62165	Undefined_Bond_Stereo_Count	1
439616	Structure_Complexity	138
118014938	Undefined_Bond_Stereo_Count	0
46883936	Total_Formal_Charge	0
89273	Total_Formal_Charge	0
121233058	Defined_Bond_Stereo_Count	0
28531	Mono_Isotopic_Weight	331.08445790
558363	Covalent_Unit_Count	1
10306	Tautomer_Count	1
12302654	Molecular_Weight	342.30
17801761	Isotope_Atom_Count	0
12358803	Isotope_Atom_Count	0
167195	Non-hydrogen_Atom_Count	1
86000267	Total_Formal_Charge	0
5311032	Defined_Atom_Stereo_Count	5
738	Molecular_Weight	146.14
68343	Defined_Bond_Stereo_Count	0
19755826	TPSA	29.1
640753	Structure_Complexity	142
7663	Isotope_Atom_Count	0
62856	Undefined_Bond_Stereo_Count	0
14597941	TPSA	18.5
3050432	Defined_Atom_Stereo_Count	0
6440511	Molecular_Weight	449.6
26927	Covalent_Unit_Count	1
5461016	Undefined_Atom_Stereo_Count	0
153665501	TPSA	0
83864197	Total_Formal_Charge	0
5276520	Undefined_Atom_Stereo_Count	0
79060	Undefined_Atom_Stereo_Count	1
739236	Structure_Complexity	236
413540	Defined_Bond_Stereo_Count	0
107715	Non-hydrogen_Atom_Count	45
21030991	Molecular_Weight	112.09
41628	Non-hydrogen_Atom_Count	28
93841	Molecular_Weight	258.31
21531	Tautomer_Count	1
6435920	Mono_Isotopic_Weight	224.177630004
88396	Isotope_Atom_Count	0
54422686	Exact_Mass	103.063328530
134393564	Isotope_Atom_Count	0
16076883	Molecular_Weight	748.3
556487	Exact_Mass	94.078250319
238498	Non-hydrogen_Atom_Count	11
163652705	Hydrogen_Bond_Donor_Count	1
87661	Tautomer_Count	1
451189	Rotatable_Bond_Count	1
69216	Molecular_Weight	114.10
7400	TPSA	62.8
17755248	Undefined_Atom_Stereo_Count	0
16574	Structure_Complexity	662
46244173	Covalent_Unit_Count	1
138506	Total_Formal_Charge	0
53167	Hydrogen_Bond_Donor_Count	1
64154	Mono_Isotopic_Weight	170.0862282
137090	Covalent_Unit_Count	1
5354486	Covalent_Unit_Count	1
15276695	Molecular_Weight	99.13
26388	Non-hydrogen_Atom_Count	30
22873	Defined_Atom_Stereo_Count	0
54492709	Molecular_Weight	110.11
5329056	XLogP3-AA	4.9
40467053	Undefined_Bond_Stereo_Count	0
165079254	Defined_Atom_Stereo_Count	0
147126464	Structure_Complexity	117
904857	Structure_Complexity	343
20253250	Covalent_Unit_Count	1
4369233	Covalent_Unit_Count	1
49865493	Defined_Bond_Stereo_Count	0
10451	Exact_Mass	120.00674260
21635253	Rotatable_Bond_Count	4
141691	Isotope_Atom_Count	0
2852	Non-hydrogen_Atom_Count	42
6169	TPSA	65.6
13434377	Rotatable_Bond_Count	5
131536	Undefined_Atom_Stereo_Count	0
139585898	Total_Formal_Charge	0
66615627	Molecular_Weight	537.5
8497	Molecular_Weight	167.12
10125362	XLogP3-AA	3.4
3231	Exact_Mass	400.18858861
44480399	Total_Formal_Charge	0
11597936	Hydrogen_Bond_Acceptor_Count	7
23238	Mono_Isotopic_Weight	88.088815002
11870241	Rotatable_Bond_Count	3
8118	Hydrogen_Bond_Donor_Count	0
67611425	Covalent_Unit_Count	1
14343599	Isotope_Atom_Count	0
12695798	Total_Formal_Charge	0
1024	Total_Formal_Charge	0
3642	Hydrogen_Bond_Acceptor_Count	6
86388	Non-hydrogen_Atom_Count	25
33671	Hydrogen_Bond_Acceptor_Count	2
14494973	Hydrogen_Bond_Donor_Count	0
133025	Undefined_Bond_Stereo_Count	0
53315139	Total_Formal_Charge	0
135400184	Exact_Mass	284.07318219
4714967	XLogP3	2.8
18787571	TPSA	25.8
49866901	TPSA	148
140152869	Mono_Isotopic_Weight	98.084398327
71727581	Hydrogen_Bond_Donor_Count	2
6992032	Tautomer_Count	3
14816327	Undefined_Bond_Stereo_Count	0
10471931	Defined_Atom_Stereo_Count	0
71584166	Rotatable_Bond_Count	4
12866541	Exact_Mass	109.052763847
224241	TPSA	9.2
14281432	Rotatable_Bond_Count	1
53315588	Structure_Complexity	1210
65701	Defined_Atom_Stereo_Count	0
81902	Exact_Mass	184.0654927
11569967	Total_Formal_Charge	0
45479680	Non-hydrogen_Atom_Count	55
89077	Undefined_Atom_Stereo_Count	0
10238746	Defined_Bond_Stereo_Count	0
44119980	XLogP3-AA	7.5
138801	Mono_Isotopic_Weight	274.266051085
67350	Exact_Mass	266.12665706
16220118	Hydrogen_Bond_Acceptor_Count	3
85597	Mono_Isotopic_Weight	126.068079557
6133	Hydrogen_Bond_Donor_Count	7
135398634	Defined_Bond_Stereo_Count	0
54341391	Exact_Mass	94.078250319
96568	Structure_Complexity	216
90657341	XLogP3	0.6
24802075	Defined_Atom_Stereo_Count	6
12454	Tautomer_Count	1
31005	Structure_Complexity	439
81827	Non-hydrogen_Atom_Count	8
1010	Mono_Isotopic_Weight	339.04676603
154518019	Hydrogen_Bond_Donor_Count	1
9988	Covalent_Unit_Count	1
1365	Mono_Isotopic_Weight	376.08414080
445969	Undefined_Bond_Stereo_Count	0
177870	Undefined_Bond_Stereo_Count	0
229295	Mono_Isotopic_Weight	410.28209507
6400441	Isotope_Atom_Count	0
77997	Exact_Mass	391.20082506
10435654	Hydrogen_Bond_Acceptor_Count	3
88239551	Total_Formal_Charge	0
9800068	Hydrogen_Bond_Acceptor_Count	7
74168	Structure_Complexity	67.4
160230029	TPSA	48.2
49862577	TPSA	57.8
46693	Hydrogen_Bond_Acceptor_Count	3
704754	Rotatable_Bond_Count	3
14225655	Hydrogen_Bond_Donor_Count	0
23170707	Isotope_Atom_Count	0
59502	Molecular_Weight	340.5
54443523	Hydrogen_Bond_Acceptor_Count	2
75810	Defined_Atom_Stereo_Count	0
70684313	Mono_Isotopic_Weight	411.15560620
129627254	Undefined_Bond_Stereo_Count	0
517637	TPSA	52.6
9561131	Undefined_Atom_Stereo_Count	0
134754219	Hydrogen_Bond_Acceptor_Count	12
5324560	Defined_Atom_Stereo_Count	0
11029762	Covalent_Unit_Count	1
916113	Mono_Isotopic_Weight	313.08849790
54511	Mono_Isotopic_Weight	356.1866705
9418	Mono_Isotopic_Weight	331.1451400
166558989	Structure_Complexity	120
25271782	Undefined_Bond_Stereo_Count	0
81760	Total_Formal_Charge	0
443870	Non-hydrogen_Atom_Count	27
2633	Molecular_Weight	561.6
3628	Total_Formal_Charge	0
138062	TPSA	0
148127	Undefined_Atom_Stereo_Count	0
74180	Non-hydrogen_Atom_Count	20
23716436	Defined_Atom_Stereo_Count	0
121942	Exact_Mass	356.13186158
589692	Defined_Atom_Stereo_Count	0
182362	Molecular_Weight	254.24
443732	Molecular_Weight	71.12
146159626	Hydrogen_Bond_Acceptor_Count	6
134812007	Isotope_Atom_Count	0
22591521	Structure_Complexity	104
10701796	Defined_Atom_Stereo_Count	0
91827561	Non-hydrogen_Atom_Count	65
72023	Covalent_Unit_Count	1
8281	XLogP3	0.5
19010362	Covalent_Unit_Count	1
189594	Undefined_Bond_Stereo_Count	0
136060671	Exact_Mass	181.121512110
10034603	Undefined_Bond_Stereo_Count	0
3728	Isotope_Atom_Count	0
53736293	Rotatable_Bond_Count	1
11786594	Hydrogen_Bond_Donor_Count	2
44560808	Mono_Isotopic_Weight	410.14126175
5365748	Undefined_Atom_Stereo_Count	0
138231	Rotatable_Bond_Count	2
72121	Defined_Atom_Stereo_Count	0
23939	TPSA	0
76973216	Tautomer_Count	1
10478	Undefined_Bond_Stereo_Count	0
65650	Structure_Complexity	250
470375	Molecular_Weight	428.4
242722	Hydrogen_Bond_Donor_Count	0
102614	TPSA	64.2
143506727	Hydrogen_Bond_Acceptor_Count	0
12278607	Total_Formal_Charge	0
89317	Undefined_Atom_Stereo_Count	1
10686	Covalent_Unit_Count	1
6102731	Undefined_Bond_Stereo_Count	0
74454	Isotope_Atom_Count	0
135539077	Total_Formal_Charge	0
140233815	Molecular_Weight	114.19
11691484	XLogP3-AA	2.5
11973	TPSA	201
9926586	Rotatable_Bond_Count	2
124328800	Non-hydrogen_Atom_Count	36
123661139	Undefined_Atom_Stereo_Count	2
5126	Rotatable_Bond_Count	1
44349928	Defined_Atom_Stereo_Count	0
54808	Covalent_Unit_Count	1
28566812	Defined_Atom_Stereo_Count	0
53315103	Non-hydrogen_Atom_Count	28
30771	Covalent_Unit_Count	1
3899	Rotatable_Bond_Count	2
5355219	TPSA	53.1
57829	Isotope_Atom_Count	0
91599894	Molecular_Weight	110.20
2422	Covalent_Unit_Count	1
6450800	Defined_Bond_Stereo_Count	1
10898	Hydrogen_Bond_Acceptor_Count	1
13499611	Molecular_Weight	114.19
158144361	Covalent_Unit_Count	1
10560336	Mono_Isotopic_Weight	173.107873423
543061	Tautomer_Count	1
12097423	Non-hydrogen_Atom_Count	8
11676068	Mono_Isotopic_Weight	417.1607901
11681588	Molecular_Weight	337.4
24733	Non-hydrogen_Atom_Count	28
134688669	Hydrogen_Bond_Donor_Count	2
152754843	Undefined_Bond_Stereo_Count	0
4917	Rotatable_Bond_Count	4
616236	Hydrogen_Bond_Acceptor_Count	3
69333672	Molecular_Weight	108.10
74652199	Covalent_Unit_Count	1
23063800	XLogP3-AA	0.2
55036	Structure_Complexity	593
2106909	Rotatable_Bond_Count	2
129664338	Structure_Complexity	374
5086465	Defined_Bond_Stereo_Count	0
81836	Undefined_Atom_Stereo_Count	0
67630	Hydrogen_Bond_Acceptor_Count	5
154196048	Hydrogen_Bond_Acceptor_Count	2
58014	Undefined_Atom_Stereo_Count	0
522731	Hydrogen_Bond_Donor_Count	0
12389634	Defined_Atom_Stereo_Count	0
87216	Hydrogen_Bond_Acceptor_Count	8
49867936	Structure_Complexity	815
141869079	Non-hydrogen_Atom_Count	7
25110841	Isotope_Atom_Count	0
5492898	Undefined_Bond_Stereo_Count	0
10019998	Defined_Bond_Stereo_Count	0
25263111	Structure_Complexity	687
29665	Defined_Bond_Stereo_Count	0
66684	Molecular_Weight	339.2
89292361	Hydrogen_Bond_Donor_Count	2
135491728	Hydrogen_Bond_Donor_Count	1
498233	Undefined_Bond_Stereo_Count	0
57391652	Hydrogen_Bond_Acceptor_Count	11
57394197	TPSA	77.6
466151	Total_Formal_Charge	0
10290812	Mono_Isotopic_Weight	129.98777838
15024257	Hydrogen_Bond_Acceptor_Count	3
2456	Isotope_Atom_Count	0
25199807	Structure_Complexity	103
90125683	XLogP3-AA	2.4
3990	Non-hydrogen_Atom_Count	31
3781	Hydrogen_Bond_Acceptor_Count	4
87853465	Undefined_Bond_Stereo_Count	0
145742	Structure_Complexity	103
174174	Molecular_Weight	289.4
87254	Covalent_Unit_Count	1
24871329	Structure_Complexity	533
44392244	Defined_Bond_Stereo_Count	0
5281168	Tautomer_Count	1
123072	Non-hydrogen_Atom_Count	18
5496540	Mono_Isotopic_Weight	1424.55613212
3034811	Structure_Complexity	2.8
74944	Undefined_Atom_Stereo_Count	0
3073763	Structure_Complexity	221
11476467	TPSA	122
134497943	Isotope_Atom_Count	0
65905	Exact_Mass	323.19573968
6295	Isotope_Atom_Count	0
53464	Structure_Complexity	322
90127662	Exact_Mass	112.088815002
56659408	Rotatable_Bond_Count	13
92907	Defined_Atom_Stereo_Count	1
44521019	Undefined_Bond_Stereo_Count	0
11565	Rotatable_Bond_Count	0
136340880	Hydrogen_Bond_Donor_Count	1
210326	Covalent_Unit_Count	1
154171248	Undefined_Atom_Stereo_Count	1
8058	Mono_Isotopic_Weight	86.109550447
16211197	Hydrogen_Bond_Acceptor_Count	5
4390	Tautomer_Count	1
51886	Molecular_Weight	209.20
470375	Defined_Atom_Stereo_Count	4
101103333	Undefined_Bond_Stereo_Count	0
19220	TPSA	20.3
11476771	Hydrogen_Bond_Donor_Count	2
3480590	Defined_Bond_Stereo_Count	0
58072202	TPSA	26.3
13286	Undefined_Atom_Stereo_Count	0
656495	Hydrogen_Bond_Donor_Count	7
21263577	Non-hydrogen_Atom_Count	7
146474256	Hydrogen_Bond_Acceptor_Count	2
174	Hydrogen_Bond_Donor_Count	2
136674	Total_Formal_Charge	0
57254473	Defined_Bond_Stereo_Count	0
5388983	Undefined_Bond_Stereo_Count	0
83904773	Hydrogen_Bond_Acceptor_Count	1
529212	Structure_Complexity	92.6
68547	Defined_Atom_Stereo_Count	0
67499	Undefined_Bond_Stereo_Count	0
6537488	Molecular_Weight	199.16
29249	Molecular_Weight	326.5
21783	Exact_Mass	237.10010796
131699179	Non-hydrogen_Atom_Count	12
88534961	Covalent_Unit_Count	1
1886	Undefined_Bond_Stereo_Count	0
189782	Hydrogen_Bond_Acceptor_Count	5
54368096	Mono_Isotopic_Weight	100.088815002
4177	Hydrogen_Bond_Donor_Count	1
66260	Hydrogen_Bond_Acceptor_Count	2
45780	Rotatable_Bond_Count	1
9821941	Structure_Complexity	593
688303	Hydrogen_Bond_Donor_Count	0
13707503	Structure_Complexity	101
17129	Hydrogen_Bond_Donor_Count	0
68850055	Undefined_Bond_Stereo_Count	0
12164	Covalent_Unit_Count	1
19065046	Defined_Bond_Stereo_Count	0
4295	Defined_Atom_Stereo_Count	0
45588096	Tautomer_Count	1000
71300410	Undefined_Atom_Stereo_Count	0
70882	Defined_Atom_Stereo_Count	0
320263	XLogP3-AA	3.3
79254	Undefined_Atom_Stereo_Count	0
60167543	Total_Formal_Charge	0
1820	Mono_Isotopic_Weight	179.03825660
21107383	Structure_Complexity	485
3816071	Defined_Bond_Stereo_Count	0
6971007	Mono_Isotopic_Weight	180.06338810
163432987	Hydrogen_Bond_Acceptor_Count	3
12687005	Molecular_Weight	303.4
6918405	Undefined_Atom_Stereo_Count	0
47884	Rotatable_Bond_Count	7
69656	Undefined_Bond_Stereo_Count	0
234041	Undefined_Bond_Stereo_Count	2
309	Defined_Atom_Stereo_Count	0
5994	Covalent_Unit_Count	1
61583	Non-hydrogen_Atom_Count	18
4136526	Exact_Mass	286.09701070
14042	Rotatable_Bond_Count	3
6327546	Non-hydrogen_Atom_Count	16
35726	Molecular_Weight	350.3
18681973	Undefined_Bond_Stereo_Count	0
403821	Hydrogen_Bond_Acceptor_Count	8
81263	Mono_Isotopic_Weight	156.151415257
123643945	Hydrogen_Bond_Donor_Count	0
5481173	Tautomer_Count	14
779642	Rotatable_Bond_Count	6
62753	Non-hydrogen_Atom_Count	31
445501	XLogP3-AA	3.1
140376	Exact_Mass	108.068748264
45408	Non-hydrogen_Atom_Count	22
92421	Undefined_Bond_Stereo_Count	0
44319	Undefined_Atom_Stereo_Count	0
44570889	Undefined_Atom_Stereo_Count	0
72048	Hydrogen_Bond_Donor_Count	4
21443942	Covalent_Unit_Count	1
36966	Hydrogen_Bond_Donor_Count	2
136832	Non-hydrogen_Atom_Count	8
68591	Structure_Complexity	655
3443	XLogP3-AA	5.5
534114	Molecular_Weight	98.10
18377249	Molecular_Weight	111.14
55286252	Non-hydrogen_Atom_Count	10
21864164	Defined_Bond_Stereo_Count	0
21356643	Non-hydrogen_Atom_Count	32
7014	Undefined_Bond_Stereo_Count	0
118346510	Molecular_Weight	111.14
71834	Undefined_Bond_Stereo_Count	0
42	Exact_Mass	214.04773803
87485	Undefined_Bond_Stereo_Count	0
7650	Rotatable_Bond_Count	5
17218	Tautomer_Count	1
20690188	Defined_Bond_Stereo_Count	0
60165516	Non-hydrogen_Atom_Count	20
53839028	XLogP3-AA	1.3
138772	Total_Formal_Charge	0
11662332	Covalent_Unit_Count	1
6901	Mono_Isotopic_Weight	257.813116
67379186	Covalent_Unit_Count	1
626738	Rotatable_Bond_Count	5
37137	Isotope_Atom_Count	0
11815279	Molecular_Weight	80.13
3506	Hydrogen_Bond_Donor_Count	7
12874682	Defined_Bond_Stereo_Count	0
601791	XLogP3	4.8
12694695	Isotope_Atom_Count	0
15615	Total_Formal_Charge	0
441071	Undefined_Atom_Stereo_Count	0
59539	Undefined_Atom_Stereo_Count	0
31877	Undefined_Bond_Stereo_Count	1
1367	Defined_Atom_Stereo_Count	0
6713312	Undefined_Atom_Stereo_Count	3
73461	TPSA	193
46235922	Molecular_Weight	486.6
22602664	Mono_Isotopic_Weight	109.052763847
6539026	Hydrogen_Bond_Acceptor_Count	8
23663412	Total_Formal_Charge	0
5462350	Hydrogen_Bond_Acceptor_Count	5
2723951	Defined_Atom_Stereo_Count	0
994872	Rotatable_Bond_Count	8
43261	Rotatable_Bond_Count	7
163460608	Hydrogen_Bond_Acceptor_Count	1
88489585	Exact_Mass	118.062994177
10290754	Molecular_Weight	102.14
23365036	Non-hydrogen_Atom_Count	7
44392161	Undefined_Atom_Stereo_Count	0
425400	Mono_Isotopic_Weight	530.39712482
14145	Hydrogen_Bond_Donor_Count	0
222572	TPSA	23.6
14805	Total_Formal_Charge	0
16760139	Mono_Isotopic_Weight	152.01126970
11957654	Structure_Complexity	518
62705862	Total_Formal_Charge	0
9878679	Mono_Isotopic_Weight	275.07284784
10774305	Isotope_Atom_Count	0
171808	Defined_Atom_Stereo_Count	12
1077757	Defined_Atom_Stereo_Count	0
103528	Molecular_Weight	210.27
5748152	Structure_Complexity	457
13107533	Exact_Mass	102.068079557
2733928	Tautomer_Count	1
12052005	Isotope_Atom_Count	0
138442	Defined_Bond_Stereo_Count	0
6329567	Rotatable_Bond_Count	5
125017	Hydrogen_Bond_Donor_Count	2
92233	Rotatable_Bond_Count	2
443376	Structure_Complexity	2330
446600	Undefined_Bond_Stereo_Count	0
301567	Hydrogen_Bond_Acceptor_Count	1
755	Defined_Bond_Stereo_Count	0
91623917	Covalent_Unit_Count	1
87642220	Hydrogen_Bond_Donor_Count	8
6913	Total_Formal_Charge	0
53766125	Isotope_Atom_Count	0
90891909	Hydrogen_Bond_Acceptor_Count	1
88705	XLogP3-AA	2.4
9457	Defined_Bond_Stereo_Count	0
6259976	TPSA	26.3
77213	Isotope_Atom_Count	0
13199930	Non-hydrogen_Atom_Count	12
20769606	Exact_Mass	114.068079557
16213546	Mono_Isotopic_Weight	180.06338810
55298920	TPSA	29.1
4562	Undefined_Bond_Stereo_Count	4
18921	Defined_Atom_Stereo_Count	0
4345	Molecular_Weight	361.5
12420192	Mono_Isotopic_Weight	111.068413911
5059	TPSA	42.4
23649154	Rotatable_Bond_Count	4
13229	Isotope_Atom_Count	0
8461	Molecular_Weight	182.13
18757800	Structure_Complexity	126
150311	XLogP3-AA	4
78031	Undefined_Atom_Stereo_Count	0
5742673	Undefined_Bond_Stereo_Count	0
31374	Total_Formal_Charge	0
1548	Hydrogen_Bond_Donor_Count	3
5665	Structure_Complexity	112
3972	Total_Formal_Charge	0
9952773	Mono_Isotopic_Weight	399.14053348
243274	Non-hydrogen_Atom_Count	21
76957235	Structure_Complexity	593
12218432	Undefined_Bond_Stereo_Count	0
97669	Defined_Atom_Stereo_Count	0
92307	Covalent_Unit_Count	2
2835211	Isotope_Atom_Count	0
1331	Defined_Atom_Stereo_Count	0
219301	Defined_Bond_Stereo_Count	0
12547675	Isotope_Atom_Count	0
18173271	Isotope_Atom_Count	0
22168583	Defined_Bond_Stereo_Count	0
20113	Tautomer_Count	1
208880	TPSA	49.8
12743050	Defined_Atom_Stereo_Count	0
5197257	Undefined_Atom_Stereo_Count	2
84715993	Hydrogen_Bond_Donor_Count	1
5377022	Rotatable_Bond_Count	3
3080836	Covalent_Unit_Count	2
40807	Mono_Isotopic_Weight	428.04604121
9841863	XLogP3-AA	4.6
10470475	Undefined_Atom_Stereo_Count	0
14803	Hydrogen_Bond_Acceptor_Count	2
60196441	Undefined_Atom_Stereo_Count	0
650625	Hydrogen_Bond_Donor_Count	1
5879	Isotope_Atom_Count	0
11899	Defined_Bond_Stereo_Count	0
5282108	TPSA	17.1
123597	Total_Formal_Charge	0
11309477	Defined_Atom_Stereo_Count	0
163201191	Total_Formal_Charge	0
12295391	Rotatable_Bond_Count	1
5357155	Isotope_Atom_Count	0
6914605	Defined_Bond_Stereo_Count	0
20096720	Non-hydrogen_Atom_Count	8
34692	Defined_Bond_Stereo_Count	0
4369502	Defined_Bond_Stereo_Count	0
44338979	Rotatable_Bond_Count	14
558889	Total_Formal_Charge	0
119242	Total_Formal_Charge	0
90473211	Non-hydrogen_Atom_Count	24
71829	Undefined_Atom_Stereo_Count	0
5311283	Rotatable_Bond_Count	9
8994	Undefined_Bond_Stereo_Count	0
54899	Defined_Bond_Stereo_Count	0
23581946	Rotatable_Bond_Count	4
10024782	Total_Formal_Charge	0
39732	Structure_Complexity	317
904857	Tautomer_Count	1
11789162	Mono_Isotopic_Weight	112.088815002
11524144	Exact_Mass	399.20591044
53420035	Rotatable_Bond_Count	0
16590	Isotope_Atom_Count	0
19736124	Undefined_Atom_Stereo_Count	0
104806	Exact_Mass	61.987817862
9837124	Isotope_Atom_Count	0
6451285	Molecular_Weight	257.37
17525	Rotatable_Bond_Count	8
146049032	Defined_Bond_Stereo_Count	0
24685	Tautomer_Count	2
3219590	XLogP3-AA	2.9
192988	Defined_Bond_Stereo_Count	0
23430	Mono_Isotopic_Weight	448.18456586
8912	Total_Formal_Charge	0
54740	Total_Formal_Charge	0
21278826	Covalent_Unit_Count	1
74732	Tautomer_Count	2
23471	TPSA	32.7
71081	Hydrogen_Bond_Donor_Count	0
5359	Undefined_Bond_Stereo_Count	0
7811	Total_Formal_Charge	0
76460	Molecular_Weight	715.0
10072851	Hydrogen_Bond_Donor_Count	2
49769064	Rotatable_Bond_Count	9
44576048	Hydrogen_Bond_Donor_Count	2
2781	Undefined_Atom_Stereo_Count	2
54285963	Structure_Complexity	198
215932	TPSA	87.8
44387934	Defined_Bond_Stereo_Count	0
72257	Defined_Bond_Stereo_Count	0
85979179	Exact_Mass	83.037113783
10971	Structure_Complexity	165
151205	TPSA	88.6
168120	Tautomer_Count	3
3381	Defined_Bond_Stereo_Count	0
40428463	Hydrogen_Bond_Donor_Count	0
121025	Non-hydrogen_Atom_Count	14
454216	Structure_Complexity	1350
54562	Covalent_Unit_Count	1
70002683	Non-hydrogen_Atom_Count	7
5363858	Undefined_Atom_Stereo_Count	1
154825180	Mono_Isotopic_Weight	527.23263824
165363121	Non-hydrogen_Atom_Count	19
87595	Undefined_Bond_Stereo_Count	0
57782	Non-hydrogen_Atom_Count	20
13184	Covalent_Unit_Count	1
77009	Total_Formal_Charge	0
5311	Non-hydrogen_Atom_Count	19
71311337	Defined_Atom_Stereo_Count	0
59896759	Undefined_Bond_Stereo_Count	0
189562	Undefined_Bond_Stereo_Count	0
11534837	Mono_Isotopic_Weight	418.0570545
91740	Isotope_Atom_Count	0
247769	Hydrogen_Bond_Donor_Count	1
14926954	Undefined_Bond_Stereo_Count	0
111314	Undefined_Atom_Stereo_Count	1
9216	Hydrogen_Bond_Acceptor_Count	2
136705	Covalent_Unit_Count	1
3167	Undefined_Bond_Stereo_Count	0
94221	Molecular_Weight	152.23
5284529	Hydrogen_Bond_Acceptor_Count	7
69342090	Exact_Mass	108.032362755
529	Non-hydrogen_Atom_Count	9
21750168	Rotatable_Bond_Count	1
15738546	Covalent_Unit_Count	1
615549	Defined_Atom_Stereo_Count	0
16211032	Non-hydrogen_Atom_Count	23
12502857	Non-hydrogen_Atom_Count	7
144456	XLogP3-AA	3.2
749560	Covalent_Unit_Count	1
70679035	TPSA	13.7
12309518	Undefined_Bond_Stereo_Count	0
439184	Undefined_Bond_Stereo_Count	0
39546	Isotope_Atom_Count	0
24825758	Hydrogen_Bond_Acceptor_Count	18
10301	Hydrogen_Bond_Acceptor_Count	2
10582755	Defined_Atom_Stereo_Count	0
77191	Hydrogen_Bond_Donor_Count	0
102565432	Rotatable_Bond_Count	3
20667	Covalent_Unit_Count	1
11717025	Structure_Complexity	451
3087722	Undefined_Atom_Stereo_Count	0
138059757	Defined_Bond_Stereo_Count	0
1957	Molecular_Weight	381.5
567743	Defined_Bond_Stereo_Count	0
91171	Exact_Mass	118.099379685
83788	Exact_Mass	175.08445790
451189	Non-hydrogen_Atom_Count	12
44416407	Defined_Atom_Stereo_Count	0
9238	Exact_Mass	136.125200510
6436148	Hydrogen_Bond_Donor_Count	1
62277	Hydrogen_Bond_Acceptor_Count	7
131704	Mono_Isotopic_Weight	414.13146766
68952	Rotatable_Bond_Count	5
14818493	XLogP3-AA	0.9
9964	Defined_Atom_Stereo_Count	0
714937	XLogP3-AA	3.8
3923	Defined_Bond_Stereo_Count	0
198015	Undefined_Bond_Stereo_Count	0
71430	Structure_Complexity	438
7835	Molecular_Weight	92.52
479930	Covalent_Unit_Count	1
6683	Rotatable_Bond_Count	0
10059810	Rotatable_Bond_Count	2
8480	Hydrogen_Bond_Donor_Count	4
4101	Defined_Atom_Stereo_Count	0
21874242	Hydrogen_Bond_Acceptor_Count	13
20387216	Non-hydrogen_Atom_Count	8
16752772	Tautomer_Count	1
165506	Hydrogen_Bond_Donor_Count	1
23238195	Mono_Isotopic_Weight	255.13448209
446541	Defined_Atom_Stereo_Count	0
6289935	Total_Formal_Charge	0
71081	XLogP3-AA	1
95162416	Total_Formal_Charge	0
17305	Hydrogen_Bond_Donor_Count	0
8499	Non-hydrogen_Atom_Count	12
11154925	Defined_Bond_Stereo_Count	0
65478	Defined_Bond_Stereo_Count	0
13176	Structure_Complexity	138
20724	Undefined_Atom_Stereo_Count	1
168928	Rotatable_Bond_Count	1
9854073	Isotope_Atom_Count	0
17989307	Exact_Mass	98.073164938
54307121	Rotatable_Bond_Count	2
12347118	Molecular_Weight	116.16
1022	Mono_Isotopic_Weight	312.137496527
18126	XLogP3	3
22611874	Hydrogen_Bond_Acceptor_Count	1
11397521	Isotope_Atom_Count	0
220175	Hydrogen_Bond_Acceptor_Count	4
11081093	Hydrogen_Bond_Donor_Count	0
33	Molecular_Weight	78.50
46212	Total_Formal_Charge	0
65667	Exact_Mass	577.32641949
70207914	Hydrogen_Bond_Donor_Count	1
95566291	Exact_Mass	416.32904526
60947	Defined_Bond_Stereo_Count	0
5282108	Structure_Complexity	282
22001134	Exact_Mass	100.027277375
53477948	Defined_Atom_Stereo_Count	1
6893	Molecular_Weight	121.18
50701	Undefined_Bond_Stereo_Count	0
6437064	Undefined_Atom_Stereo_Count	0
135565471	Hydrogen_Bond_Acceptor_Count	15
12671783	Structure_Complexity	126
54023308	Hydrogen_Bond_Acceptor_Count	1
3086157	Defined_Atom_Stereo_Count	0
6593	Tautomer_Count	1
49849523	Hydrogen_Bond_Donor_Count	1
71679410	Structure_Complexity	688
18213	Rotatable_Bond_Count	2
44267026	Defined_Bond_Stereo_Count	0
148573599	Undefined_Atom_Stereo_Count	0
101181995	XLogP3-AA	6.2
136305445	Exact_Mass	114.00654193
44412186	XLogP3-AA	4.1
5744	Molecular_Weight	404.5
2734231	Non-hydrogen_Atom_Count	23
93227	Undefined_Bond_Stereo_Count	0
56037	Hydrogen_Bond_Acceptor_Count	4
15222	Total_Formal_Charge	0
10460	Undefined_Bond_Stereo_Count	1
2618	Exact_Mass	454.03001448
135403591	Hydrogen_Bond_Acceptor_Count	3
145019560	Total_Formal_Charge	0
92822	Defined_Bond_Stereo_Count	0
74441500	Isotope_Atom_Count	0
137017	Total_Formal_Charge	0
12468302	Exact_Mass	97.052763847
3681305	Molecular_Weight	95.979
134564038	Total_Formal_Charge	0
5744890	Defined_Atom_Stereo_Count	0
8929	Hydrogen_Bond_Donor_Count	0
1291	Isotope_Atom_Count	0
6914	Tautomer_Count	1
5311067	Exact_Mass	376.20498756
267769	Hydrogen_Bond_Acceptor_Count	3
62173	XLogP3-AA	5.9
3202	Undefined_Bond_Stereo_Count	0
561096	TPSA	0
6917975	Structure_Complexity	1040
3151	Covalent_Unit_Count	1
1566	Isotope_Atom_Count	0
11940	Molecular_Weight	180.24
23392960	Hydrogen_Bond_Donor_Count	1
7683	Mono_Isotopic_Weight	212.97893
2363	Hydrogen_Bond_Donor_Count	1
129073603	Hydrogen_Bond_Acceptor_Count	9
57328385	Defined_Atom_Stereo_Count	0
5314058	Hydrogen_Bond_Donor_Count	0
81762	Covalent_Unit_Count	1
24901351	Isotope_Atom_Count	0
27854	Hydrogen_Bond_Donor_Count	0
141260926	Rotatable_Bond_Count	0
125127450	Molecular_Weight	665.7
13748	Hydrogen_Bond_Donor_Count	1
25222248	Exact_Mass	363.13292312
28700	Total_Formal_Charge	0
22706689	Hydrogen_Bond_Acceptor_Count	0
86306373	TPSA	103
55299692	Undefined_Atom_Stereo_Count	1
785244	Hydrogen_Bond_Acceptor_Count	4
23664294	Structure_Complexity	290
10048103	Mono_Isotopic_Weight	426.16785316
13576	Undefined_Atom_Stereo_Count	0
30668	Undefined_Atom_Stereo_Count	1
159627	Exact_Mass	279.98876
129662960	XLogP3-AA	5.3
169607	Tautomer_Count	2
4400696	XLogP3-AA	2.2
71302984	Defined_Atom_Stereo_Count	0
793	Mono_Isotopic_Weight	156.05349212
23978	Tautomer_Count	9
65963	Total_Formal_Charge	0
11953897	Exact_Mass	1322.0938467
36798	Structure_Complexity	225
8489	Hydrogen_Bond_Acceptor_Count	2
598760	Hydrogen_Bond_Donor_Count	0
12635	Isotope_Atom_Count	0
95162203	Rotatable_Bond_Count	4
47628	Isotope_Atom_Count	0
550525	Molecular_Weight	338.60
7121	Defined_Bond_Stereo_Count	0
135527764	Hydrogen_Bond_Acceptor_Count	4
10548	Defined_Bond_Stereo_Count	0
237546	Defined_Bond_Stereo_Count	0
447145	Mono_Isotopic_Weight	463.07404340
165971	Structure_Complexity	0
129695690	Undefined_Atom_Stereo_Count	2
68683	Covalent_Unit_Count	1
6927356	Defined_Bond_Stereo_Count	0
2777208	Covalent_Unit_Count	1
9795291	Isotope_Atom_Count	0
12502948	Exact_Mass	114.104465066
88564905	Hydrogen_Bond_Donor_Count	2
70615	Defined_Bond_Stereo_Count	0
123585399	Structure_Complexity	117
9903930	Defined_Bond_Stereo_Count	0
16623	TPSA	138
13182523	Total_Formal_Charge	0
10613	Mono_Isotopic_Weight	200.00693585
141225356	Defined_Bond_Stereo_Count	1
156595906	Undefined_Atom_Stereo_Count	8
53473572	XLogP3-AA	7.1
13	Isotope_Atom_Count	0
12394645	Defined_Atom_Stereo_Count	0
643964	Total_Formal_Charge	0
136504	Molecular_Weight	97.09
101874073	Defined_Bond_Stereo_Count	0
11837140	Exact_Mass	260.94488788
5282402	Mono_Isotopic_Weight	373.1444713
13078198	Defined_Atom_Stereo_Count	0
53757199	Covalent_Unit_Count	1
54585	Molecular_Weight	357.32
5329	Isotope_Atom_Count	0
68013637	Defined_Atom_Stereo_Count	4
765	Mono_Isotopic_Weight	283.09166853
3191	XLogP3-AA	7.2
141282199	Undefined_Atom_Stereo_Count	2
11612445	Undefined_Bond_Stereo_Count	0
60602	Exact_Mass	609.28388597
661958	Exact_Mass	286.9953820
10672195	Exact_Mass	474.28038099
171829	Exact_Mass	293.847903
5484450	TPSA	45.6
13567	Isotope_Atom_Count	0
15702065	XLogP3-AA	0
134694634	Non-hydrogen_Atom_Count	44
3442	Molecular_Weight	179.22
70240	Hydrogen_Bond_Acceptor_Count	5
9821849	Defined_Atom_Stereo_Count	6
821	Undefined_Atom_Stereo_Count	24
68704	Covalent_Unit_Count	1
89181	Exact_Mass	142.135765193
131954782	Total_Formal_Charge	0
10899357	Covalent_Unit_Count	1
72604488	Non-hydrogen_Atom_Count	7
100930	Exact_Mass	140.04081944
166718	Undefined_Atom_Stereo_Count	0
13710569	Total_Formal_Charge	0
17985540	Covalent_Unit_Count	1
5158	Exact_Mass	1288.65643130
124604783	Defined_Bond_Stereo_Count	2
194670	Hydrogen_Bond_Acceptor_Count	3
123167244	Total_Formal_Charge	0
9830	Molecular_Weight	223.58
10306	XLogP3-AA	3.3
10114130	Molecular_Weight	439.8
618566	Defined_Atom_Stereo_Count	0
435111	Defined_Atom_Stereo_Count	0
21841	TPSA	104
16891	Molecular_Weight	242.27
137699570	Covalent_Unit_Count	1
9901617	Non-hydrogen_Atom_Count	20
6604189	TPSA	59.1
4866625	Defined_Bond_Stereo_Count	0
4121	TPSA	126
251513	Defined_Atom_Stereo_Count	0
92839	TPSA	29.5
138971591	Exact_Mass	108.057514874
45120331	Hydrogen_Bond_Acceptor_Count	1
3083702	Total_Formal_Charge	0
71242808	TPSA	52.6
20465494	Undefined_Bond_Stereo_Count	0
88793951	Rotatable_Bond_Count	2
67296898	Isotope_Atom_Count	0
82468	Defined_Atom_Stereo_Count	0
440552	Isotope_Atom_Count	0
66082	Structure_Complexity	62.7
68505	Structure_Complexity	28
216225	Exact_Mass	421.14715559
442428	Isotope_Atom_Count	0
4253	Covalent_Unit_Count	1
163781	Covalent_Unit_Count	1
216258	Defined_Bond_Stereo_Count	0
53319933	Molecular_Weight	242.30
27383	Undefined_Bond_Stereo_Count	0
522741	Molecular_Weight	406.5
67416	Tautomer_Count	1
7989	TPSA	17.1
3308	Defined_Bond_Stereo_Count	0
522708	Covalent_Unit_Count	1
13516406	Structure_Complexity	61.5
54949	Rotatable_Bond_Count	11
24742076	TPSA	330
196	Mono_Isotopic_Weight	146.05790880
24183644	Undefined_Atom_Stereo_Count	0
5368396	Tautomer_Count	1
19989310	Isotope_Atom_Count	0
11675994	Exact_Mass	413.19485467
59296114	XLogP3-AA	4.4
6419921	Rotatable_Bond_Count	3
90487871	Hydrogen_Bond_Donor_Count	1
9887053	Non-hydrogen_Atom_Count	15
19867655	Non-hydrogen_Atom_Count	8
17997105	Structure_Complexity	91.7
15590756	Defined_Atom_Stereo_Count	0
19089	Rotatable_Bond_Count	3
134694395	Undefined_Atom_Stereo_Count	3
32924	Non-hydrogen_Atom_Count	11
18618	TPSA	224
7658	Hydrogen_Bond_Acceptor_Count	2
6950199	Rotatable_Bond_Count	2
709225	Exact_Mass	320.10956770
13037814	Total_Formal_Charge	0
14897389	Defined_Atom_Stereo_Count	0
461399	Rotatable_Bond_Count	3
8133	Undefined_Atom_Stereo_Count	0
68380382	Structure_Complexity	113
5333	Hydrogen_Bond_Donor_Count	2
8262	Undefined_Bond_Stereo_Count	0
47825	Defined_Bond_Stereo_Count	0
2795218	Hydrogen_Bond_Donor_Count	1
705978	Exact_Mass	342.14019912
135403804	Hydrogen_Bond_Acceptor_Count	6
3224	Mono_Isotopic_Weight	403.816881
19418150	Hydrogen_Bond_Acceptor_Count	0
6436093	Structure_Complexity	470
21184953	Molecular_Weight	97.12
314710	Exact_Mass	171.99426317
44392105	Total_Formal_Charge	0
66195	Covalent_Unit_Count	1
16722125	Mono_Isotopic_Weight	396.13953042
19078029	Structure_Complexity	119
13284111	Defined_Atom_Stereo_Count	0
3313	Hydrogen_Bond_Acceptor_Count	4
44565798	XLogP3-AA	1.7
14365987	Mono_Isotopic_Weight	112.016043985
12207122	Undefined_Bond_Stereo_Count	0
11574638	Defined_Bond_Stereo_Count	0
20561716	TPSA	47.8
69332648	Hydrogen_Bond_Donor_Count	2
30921	Defined_Atom_Stereo_Count	0
6918141	Tautomer_Count	1
156252	Undefined_Atom_Stereo_Count	0
7252	Undefined_Atom_Stereo_Count	0
68165256	TPSA	85.9
11717025	Defined_Atom_Stereo_Count	0
442196	Hydrogen_Bond_Acceptor_Count	4
80278	Defined_Bond_Stereo_Count	0
79038	Tautomer_Count	2
10409	Hydrogen_Bond_Acceptor_Count	1
20011	Structure_Complexity	224
11294	Defined_Atom_Stereo_Count	0
44359653	Defined_Atom_Stereo_Count	9
5078	Covalent_Unit_Count	1
11393	Molecular_Weight	186.21
24473	Total_Formal_Charge	0
13348005	Covalent_Unit_Count	1
19951	Undefined_Atom_Stereo_Count	0
11789033	Rotatable_Bond_Count	4
91438571	Mono_Isotopic_Weight	105.057849228
19350299	TPSA	54.3
76302	XLogP3	4.9
445420	Non-hydrogen_Atom_Count	29
44576048	TPSA	174
15684	Molecular_Weight	177.02
44139752	Non-hydrogen_Atom_Count	17
8842	Total_Formal_Charge	0
17439	Defined_Atom_Stereo_Count	0
681110	Covalent_Unit_Count	1
44720578	Undefined_Bond_Stereo_Count	0
138125	Hydrogen_Bond_Donor_Count	0
6791	Undefined_Bond_Stereo_Count	0
60983	Molecular_Weight	128.17
314582	Defined_Atom_Stereo_Count	0
14913584	TPSA	47.6
91701304	Non-hydrogen_Atom_Count	7
6918524	Defined_Atom_Stereo_Count	0
10252	Hydrogen_Bond_Donor_Count	2
398743	Molecular_Weight	249.82
52943923	Covalent_Unit_Count	1
7030	Hydrogen_Bond_Donor_Count	0
66707439	Hydrogen_Bond_Acceptor_Count	6
3081364	Total_Formal_Charge	0
23505018	Undefined_Bond_Stereo_Count	0
5206	Undefined_Atom_Stereo_Count	0
9604653	Undefined_Atom_Stereo_Count	0
101614363	Molecular_Weight	278.39
6440842	Undefined_Atom_Stereo_Count	1
447966	Undefined_Atom_Stereo_Count	0
6131	Total_Formal_Charge	0
10721	TPSA	23.8
79875564	Undefined_Atom_Stereo_Count	0
51063134	TPSA	102
10558590	Exact_Mass	113.084063974
12467556	Hydrogen_Bond_Acceptor_Count	3
6097028	Undefined_Atom_Stereo_Count	0
118719297	Covalent_Unit_Count	1
98051218	Undefined_Atom_Stereo_Count	0
71105	TPSA	71.4
66663660	Total_Formal_Charge	0
105031	Defined_Bond_Stereo_Count	0
5460044	Mono_Isotopic_Weight	182.07903816
195432	TPSA	118
228987	Non-hydrogen_Atom_Count	15
9097	Total_Formal_Charge	0
551434	Hydrogen_Bond_Acceptor_Count	2
7697	Tautomer_Count	1
686752	Non-hydrogen_Atom_Count	18
120574	Undefined_Atom_Stereo_Count	0
12226994	Structure_Complexity	38.5
53786	Hydrogen_Bond_Acceptor_Count	4
24999143	XLogP3-AA	4.6
60569	Tautomer_Count	1
134826704	Non-hydrogen_Atom_Count	82
12343	Undefined_Bond_Stereo_Count	0
132275556	Covalent_Unit_Count	1
9795291	Undefined_Bond_Stereo_Count	0
5281650	Defined_Bond_Stereo_Count	0
62118	Structure_Complexity	59.5
163050682	Hydrogen_Bond_Donor_Count	1
9884817	Defined_Bond_Stereo_Count	0
5781	Undefined_Bond_Stereo_Count	0
42635875	XLogP3-AA	0.2
52914324	Exact_Mass	650.33156444
2762874	Defined_Atom_Stereo_Count	0
59295926	Covalent_Unit_Count	1
12201383	Exact_Mass	107.048347172
44525553	Hydrogen_Bond_Acceptor_Count	6
7243	Total_Formal_Charge	0
86498	Non-hydrogen_Atom_Count	26
29215	Isotope_Atom_Count	0
74405857	Undefined_Bond_Stereo_Count	0
498158	Hydrogen_Bond_Donor_Count	4
73801102	TPSA	46.2
104769	Undefined_Bond_Stereo_Count	0
137704528	Defined_Atom_Stereo_Count	1
52942447	XLogP3-AA	4.4
851390	Defined_Atom_Stereo_Count	0
560256	Defined_Bond_Stereo_Count	0
227996	Rotatable_Bond_Count	2
81829	Covalent_Unit_Count	1
71258	Exact_Mass	314.17427596
87293	Undefined_Atom_Stereo_Count	0
91272	Hydrogen_Bond_Donor_Count	7
6160	Mono_Isotopic_Weight	289.18419255
9995043	Undefined_Atom_Stereo_Count	0
23663964	Mono_Isotopic_Weight	397.08902930
8454	Defined_Atom_Stereo_Count	0
159736	Total_Formal_Charge	0
120096	Defined_Atom_Stereo_Count	0
67248528	Exact_Mass	424.0989983
6484	Hydrogen_Bond_Acceptor_Count	0
643984	Rotatable_Bond_Count	3
13545127	Defined_Atom_Stereo_Count	0
5268	Defined_Atom_Stereo_Count	0
51402807	Non-hydrogen_Atom_Count	33
71416538	Defined_Bond_Stereo_Count	0
11083832	Mono_Isotopic_Weight	96.032362755
12254	Non-hydrogen_Atom_Count	6
10414749	Hydrogen_Bond_Donor_Count	2
58168922	Exact_Mass	101.084063974
78802	Isotope_Atom_Count	0
61865004	Rotatable_Bond_Count	3
681	Hydrogen_Bond_Donor_Count	3
12259684	Defined_Bond_Stereo_Count	0
2922	Molecular_Weight	523.6
166558	Mono_Isotopic_Weight	501.29128003
36014	Exact_Mass	285.10921
68182	Mono_Isotopic_Weight	128.04489933
56673678	Non-hydrogen_Atom_Count	25
60196333	Undefined_Atom_Stereo_Count	0
96261	Hydrogen_Bond_Donor_Count	1
13087266	XLogP3-AA	1.5
135413546	Defined_Bond_Stereo_Count	1
246	TPSA	89
132420	Hydrogen_Bond_Donor_Count	2
31060	Defined_Atom_Stereo_Count	0
7732	Defined_Atom_Stereo_Count	0
13138140	Undefined_Atom_Stereo_Count	2
66932	TPSA	52.6
21158562	TPSA	87
93521	Undefined_Atom_Stereo_Count	0
5284461	Covalent_Unit_Count	1
18555	Defined_Bond_Stereo_Count	0
42091	Hydrogen_Bond_Acceptor_Count	3
5713976	Defined_Bond_Stereo_Count	1
135476260	Non-hydrogen_Atom_Count	32
104711138	Undefined_Atom_Stereo_Count	1
92461203	Exact_Mass	313.1193192
6433588	TPSA	89.8
53316382	Covalent_Unit_Count	1
155903755	Non-hydrogen_Atom_Count	128
70698365	Molecular_Weight	656.4
58840878	Isotope_Atom_Count	0
70403	Exact_Mass	316.0648413
101942760	Rotatable_Bond_Count	4
70695756	Defined_Atom_Stereo_Count	0
104938	Defined_Atom_Stereo_Count	10
107879	Defined_Atom_Stereo_Count	0
11635721	Total_Formal_Charge	0
5391	Covalent_Unit_Count	1
45358001	Hydrogen_Bond_Donor_Count	6
156599225	Exact_Mass	490.36582469
55298738	Non-hydrogen_Atom_Count	8
104938	Mono_Isotopic_Weight	360.12677620
133886	Defined_Bond_Stereo_Count	0
34239	Rotatable_Bond_Count	2
108166	Structure_Complexity	913
91102603	Total_Formal_Charge	0
5622	Structure_Complexity	1260
921599	Total_Formal_Charge	0
68668153	XLogP3-AA	2.1
126969105	Rotatable_Bond_Count	5
644241	Hydrogen_Bond_Donor_Count	2
6674	Mono_Isotopic_Weight	402.24062418
41545	Rotatable_Bond_Count	5
44345198	Structure_Complexity	719
58714	Mono_Isotopic_Weight	197.116426730
165600653	Total_Formal_Charge	0
7124	Undefined_Atom_Stereo_Count	0
44475990	Mono_Isotopic_Weight	522.20626205
2973198	Undefined_Atom_Stereo_Count	2
10219396	Mono_Isotopic_Weight	107.037113783
87664346	Covalent_Unit_Count	1
68675439	Structure_Complexity	74.6
81459	Rotatable_Bond_Count	1
20336979	Covalent_Unit_Count	1
3064224	Hydrogen_Bond_Donor_Count	2
46173707	Hydrogen_Bond_Donor_Count	11
124770286	Undefined_Atom_Stereo_Count	0
11915	Covalent_Unit_Count	1
36613	TPSA	18.5
199539	Hydrogen_Bond_Acceptor_Count	1
11114	Exact_Mass	272.1291556
160765	Undefined_Atom_Stereo_Count	0
547110	Isotope_Atom_Count	0
17429	Exact_Mass	113.084063974
10797	Isotope_Atom_Count	0
56841655	TPSA	275
439240	Structure_Complexity	117
59347	Hydrogen_Bond_Acceptor_Count	2
15677238	Total_Formal_Charge	0
12005	Defined_Atom_Stereo_Count	0
133665799	Defined_Atom_Stereo_Count	0
3037234	Total_Formal_Charge	0
550642	Mono_Isotopic_Weight	112.088815002
53477781	Hydrogen_Bond_Donor_Count	3
10931404	TPSA	37.3
24261	Defined_Atom_Stereo_Count	0
52022	XLogP3-AA	5.2
7057995	Covalent_Unit_Count	1
12687	Defined_Bond_Stereo_Count	0
5463081	TPSA	0
119584	Defined_Bond_Stereo_Count	0
4387	Exact_Mass	216.15862589
66248	Exact_Mass	354.20691876
71167	Defined_Atom_Stereo_Count	0
123664	Total_Formal_Charge	0
11632510	Hydrogen_Bond_Acceptor_Count	5
57109318	Defined_Atom_Stereo_Count	0
6627	Hydrogen_Bond_Acceptor_Count	0
59473233	Structure_Complexity	595
2733	Isotope_Atom_Count	0
12236939	Structure_Complexity	74.1
2853458	Molecular_Weight	229.28
71661882	Molecular_Weight	605.1
26956	Defined_Atom_Stereo_Count	5
118797610	Rotatable_Bond_Count	1
60196385	Undefined_Bond_Stereo_Count	0
20465494	Hydrogen_Bond_Acceptor_Count	2
55939	Hydrogen_Bond_Acceptor_Count	5
2723631	Undefined_Atom_Stereo_Count	0
60196274	Defined_Atom_Stereo_Count	3
58460047	Exact_Mass	425.0502514
701741	Undefined_Atom_Stereo_Count	0
4340561	Isotope_Atom_Count	0
57516046	Total_Formal_Charge	0
134694358	Defined_Atom_Stereo_Count	4
9015	Covalent_Unit_Count	1
151255	Molecular_Weight	141.12
53302268	Defined_Bond_Stereo_Count	0
6419941	Structure_Complexity	340
6539286	XLogP3-AA	3.7
12656387	Undefined_Bond_Stereo_Count	0
11008865	Defined_Atom_Stereo_Count	2
198243	Defined_Bond_Stereo_Count	0
146159225	Isotope_Atom_Count	0
28749	Tautomer_Count	2
11269	Mono_Isotopic_Weight	114.140850574
146013258	Covalent_Unit_Count	1
21180574	Rotatable_Bond_Count	0
44134885	Mono_Isotopic_Weight	373.06243472
22843	Undefined_Bond_Stereo_Count	0
2741	XLogP3	1.6
9200	Undefined_Bond_Stereo_Count	0
16760	Hydrogen_Bond_Acceptor_Count	4
97736001	Undefined_Atom_Stereo_Count	0
10345214	Defined_Bond_Stereo_Count	0
124992	Tautomer_Count	2
12443800	Molecular_Weight	113.12
24771777	Covalent_Unit_Count	1
80396	Mono_Isotopic_Weight	244.10679099
8052	Isotope_Atom_Count	0
16051931	Molecular_Weight	452.6
40390	Rotatable_Bond_Count	3
12508224	XLogP3-AA	2
332226	Undefined_Atom_Stereo_Count	0
3036864	Hydrogen_Bond_Donor_Count	1
6708461	Structure_Complexity	1370
19390240	Undefined_Atom_Stereo_Count	0
22015260	Defined_Atom_Stereo_Count	0
18617909	Defined_Atom_Stereo_Count	0
5282251	Hydrogen_Bond_Acceptor_Count	10
129694674	Exact_Mass	166.943465
65717	Tautomer_Count	1
71456995	Hydrogen_Bond_Acceptor_Count	16
68156	Defined_Bond_Stereo_Count	0
6419984	Undefined_Atom_Stereo_Count	2
23661868	Non-hydrogen_Atom_Count	15
521459	Non-hydrogen_Atom_Count	4
17995818	Undefined_Atom_Stereo_Count	0
6931560	Hydrogen_Bond_Donor_Count	1
3082460	Tautomer_Count	21
11073351	Undefined_Bond_Stereo_Count	0
53316394	Non-hydrogen_Atom_Count	22
9543082	Undefined_Bond_Stereo_Count	0
3032396	Isotope_Atom_Count	0
5367415	Mono_Isotopic_Weight	80.062600255
155810229	Defined_Bond_Stereo_Count	0
66509091	Hydrogen_Bond_Donor_Count	5
51935	Defined_Atom_Stereo_Count	0
2071	Undefined_Atom_Stereo_Count	1
6430518	Covalent_Unit_Count	1
18356755	Rotatable_Bond_Count	3
11664966	Undefined_Bond_Stereo_Count	0
19736124	Isotope_Atom_Count	0
364	Hydrogen_Bond_Acceptor_Count	4
2723598	Tautomer_Count	2
112029	Isotope_Atom_Count	0
64033	TPSA	59.4
91497205	Hydrogen_Bond_Donor_Count	1
60155	Rotatable_Bond_Count	4
2763054	Total_Formal_Charge	0
1484500	Total_Formal_Charge	0
104805	Defined_Bond_Stereo_Count	0
68030	Defined_Atom_Stereo_Count	0
5357402	Isotope_Atom_Count	0
10310138	Total_Formal_Charge	0
54719543	Mono_Isotopic_Weight	589.37404364
53321035	Defined_Bond_Stereo_Count	1
5311032	Exact_Mass	641.37884898
21537113	Structure_Complexity	98.2
63786	Undefined_Atom_Stereo_Count	0
557737	TPSA	18.5
6413	Total_Formal_Charge	0
25133630	Undefined_Bond_Stereo_Count	0
85925	Hydrogen_Bond_Acceptor_Count	0
8249	Rotatable_Bond_Count	4
21482439	Defined_Bond_Stereo_Count	0
17326	Tautomer_Count	1
55286536	Defined_Bond_Stereo_Count	0
59473233	Exact_Mass	411.18075832
840260	Structure_Complexity	400
11051571	Defined_Bond_Stereo_Count	0
446715	Undefined_Atom_Stereo_Count	0
398678	Exact_Mass	425.1405288
524682	Hydrogen_Bond_Donor_Count	0
10153996	TPSA	24.6
149798	Isotope_Atom_Count	0
62388	Exact_Mass	224.14124450
11827	Hydrogen_Bond_Donor_Count	1
341876	TPSA	41.6
53355697	Undefined_Atom_Stereo_Count	1
6537201	Isotope_Atom_Count	0
99338	Isotope_Atom_Count	0
75842	XLogP3-AA	2.5
80416	Mono_Isotopic_Weight	177.0112047
35525	Exact_Mass	166.110613074
10160238	Isotope_Atom_Count	0
22002688	Isotope_Atom_Count	0
107992	Tautomer_Count	1
129491	Hydrogen_Bond_Donor_Count	0
56623654	Covalent_Unit_Count	1
162404783	Structure_Complexity	79.1
16404350	Molecular_Weight	1202.6
499953	Isotope_Atom_Count	0
156619111	Total_Formal_Charge	0
130443213	Undefined_Atom_Stereo_Count	0
829	Isotope_Atom_Count	0
9596	Undefined_Atom_Stereo_Count	0
11350701	Exact_Mass	421.1656007
87784	Mono_Isotopic_Weight	161.058911855
9896434	Molecular_Weight	437.4
16129701	Total_Formal_Charge	0
9973799	Covalent_Unit_Count	1
12302693	Defined_Bond_Stereo_Count	0
57398150	Defined_Atom_Stereo_Count	1
444455	Undefined_Atom_Stereo_Count	0
440053	Covalent_Unit_Count	1
68129	Molecular_Weight	112.08
75320	Total_Formal_Charge	0
5371560	TPSA	65.1
6420074	Total_Formal_Charge	0
134694678	Undefined_Bond_Stereo_Count	1
852933	XLogP3-AA	2.2
90078	Tautomer_Count	3
439368	TPSA	46.5
516902	Tautomer_Count	1
11305985	Hydrogen_Bond_Donor_Count	0
3029012	Mono_Isotopic_Weight	181.07389321
3739	Total_Formal_Charge	0
137474475	Covalent_Unit_Count	1
6857686	XLogP3-AA	3
70339927	Hydrogen_Bond_Acceptor_Count	2
14200531	Hydrogen_Bond_Acceptor_Count	3
67112	Covalent_Unit_Count	1
364849	Total_Formal_Charge	0
128	Isotope_Atom_Count	0
9093	TPSA	18.5
25008120	Hydrogen_Bond_Acceptor_Count	15
54496696	Defined_Atom_Stereo_Count	0
24352	Defined_Atom_Stereo_Count	0
71894	Hydrogen_Bond_Acceptor_Count	4
12571	Rotatable_Bond_Count	4
32184	TPSA	90.5
752609	Exact_Mass	320.13722174
11670	Covalent_Unit_Count	1
23691021	Isotope_Atom_Count	0
16132269	Hydrogen_Bond_Acceptor_Count	17
22221739	Exact_Mass	98.036779430
23520950	Total_Formal_Charge	0
52941568	Defined_Atom_Stereo_Count	0
7318	Covalent_Unit_Count	1
39075	Mono_Isotopic_Weight	342.2090269
87886	Undefined_Atom_Stereo_Count	1
19693843	Rotatable_Bond_Count	0
5364920	Undefined_Bond_Stereo_Count	0
442348	Structure_Complexity	323
7612	Non-hydrogen_Atom_Count	5
4914	TPSA	55.6
222549	Isotope_Atom_Count	0
11412	Total_Formal_Charge	0
10208	Undefined_Bond_Stereo_Count	0
22717642	Undefined_Bond_Stereo_Count	0
318280	Total_Formal_Charge	0
23111554	Rotatable_Bond_Count	4
2736527	Tautomer_Count	2
5487542	Rotatable_Bond_Count	5
3032576	Mono_Isotopic_Weight	324.183778013
67742	Covalent_Unit_Count	1
77274	Covalent_Unit_Count	1
138117	Covalent_Unit_Count	1
9187	Tautomer_Count	1
57978852	Total_Formal_Charge	0
162014	Hydrogen_Bond_Donor_Count	3
70851	Undefined_Bond_Stereo_Count	0
6437385	Mono_Isotopic_Weight	858.47655690
2755260	Exact_Mass	270.104465066
65055	Rotatable_Bond_Count	5
72200670	Exact_Mass	348.13481644
464036	Undefined_Atom_Stereo_Count	0
19426425	Structure_Complexity	32.9
23783	Defined_Bond_Stereo_Count	0
502272	Non-hydrogen_Atom_Count	24
567	Molecular_Weight	277.70
235090	Tautomer_Count	2
22082536	XLogP3-AA	1.2
114811	Defined_Bond_Stereo_Count	0
6918078	Hydrogen_Bond_Donor_Count	4
127748	Tautomer_Count	8
48973	Mono_Isotopic_Weight	275.188529040
5464253	Molecular_Weight	357.35
1437838	Undefined_Atom_Stereo_Count	0
76442017	Structure_Complexity	92.7
23409	TPSA	67.8
89769286	Rotatable_Bond_Count	2
449107	Isotope_Atom_Count	0
5702161	TPSA	93
156024996	Defined_Bond_Stereo_Count	0
9793714	Defined_Atom_Stereo_Count	0
15981292	Defined_Bond_Stereo_Count	0
139066803	Mono_Isotopic_Weight	440.20009678
5460232	Hydrogen_Bond_Donor_Count	1
9892071	Exact_Mass	497.16542806
20525471	Exact_Mass	96.043596145
177085	Molecular_Weight	184.62
54169147	XLogP3-AA	0.1
12235162	Undefined_Atom_Stereo_Count	0
54929	Undefined_Bond_Stereo_Count	0
398731	Defined_Bond_Stereo_Count	0
6559	XLogP3	0.5
15642161	Covalent_Unit_Count	1
923638	Hydrogen_Bond_Acceptor_Count	3
16051954	TPSA	531
3623	Undefined_Atom_Stereo_Count	3
23423585	Structure_Complexity	58.7
216416	Hydrogen_Bond_Acceptor_Count	3
62240	XLogP3-AA	4.1
90016	Undefined_Atom_Stereo_Count	0
45112562	Defined_Atom_Stereo_Count	0
23708	Rotatable_Bond_Count	12
5493444	Mono_Isotopic_Weight	551.39343642
130149197	Mono_Isotopic_Weight	110.073164938
26560	Molecular_Weight	358.5
17799937	Structure_Complexity	78.1
135578046	TPSA	70.7
82727	Molecular_Weight	102.18
2521	Molecular_Weight	622.5
79067	Hydrogen_Bond_Donor_Count	2
3593	Structure_Complexity	413
2977	Mono_Isotopic_Weight	314.224580195
10898017	Isotope_Atom_Count	0
68266	Exact_Mass	146.073164938
58501	Undefined_Atom_Stereo_Count	0
8680	Undefined_Bond_Stereo_Count	0
87592747	Mono_Isotopic_Weight	113.084063974
11860	Undefined_Bond_Stereo_Count	0
67375395	Molecular_Weight	411.5
16600	Undefined_Bond_Stereo_Count	0
58208	Defined_Bond_Stereo_Count	0
5282110	Undefined_Atom_Stereo_Count	0
5281072	Rotatable_Bond_Count	6
18555	Total_Formal_Charge	0
92145	Covalent_Unit_Count	1
3916	Tautomer_Count	1
10909482	Defined_Atom_Stereo_Count	0
223441	TPSA	54.5
66110	Hydrogen_Bond_Donor_Count	1
23265	Rotatable_Bond_Count	2
135391044	Undefined_Atom_Stereo_Count	0
50937	Total_Formal_Charge	0
46893453	Defined_Atom_Stereo_Count	0
9934032	Non-hydrogen_Atom_Count	32
15032799	TPSA	9.2
11970	Hydrogen_Bond_Acceptor_Count	3
444493	Exact_Mass	809.12577494
12167465	Undefined_Atom_Stereo_Count	0
1548994	Non-hydrogen_Atom_Count	35
15228410	Structure_Complexity	96.7
694395	Structure_Complexity	440
3077	Total_Formal_Charge	0
41787	Undefined_Bond_Stereo_Count	0
5054	Exact_Mass	110.036779430
12202794	Hydrogen_Bond_Donor_Count	1
5927	TPSA	183
65776	Defined_Bond_Stereo_Count	0
72551585	Non-hydrogen_Atom_Count	42
74190	Non-hydrogen_Atom_Count	7
26923	Molecular_Weight	150.23
11601544	Defined_Atom_Stereo_Count	1
7270	XLogP3	4.6
4743	Molecular_Weight	685.9
413520	Hydrogen_Bond_Donor_Count	0
8811	Molecular_Weight	264.32
305444	Covalent_Unit_Count	1
32503	XLogP3-AA	3.3
19991465	Defined_Bond_Stereo_Count	0
66201	Mono_Isotopic_Weight	98.036779430
117640	Structure_Complexity	197
18048	Mono_Isotopic_Weight	178.135765193
224392	Defined_Bond_Stereo_Count	0
65114	Exact_Mass	244.08076950
80875	Exact_Mass	462.136827821
20903	Total_Formal_Charge	0
629	Structure_Complexity	783
130324566	Total_Formal_Charge	0
24451	TPSA	130
71541177	Structure_Complexity	522
65944	Undefined_Bond_Stereo_Count	0
19375411	Structure_Complexity	119
73433376	Molecular_Weight	100.12
21402940	Total_Formal_Charge	0
1616961	Non-hydrogen_Atom_Count	20
70377524	Defined_Bond_Stereo_Count	0
18378694	Hydrogen_Bond_Donor_Count	1
6082	Undefined_Bond_Stereo_Count	0
21998683	Undefined_Bond_Stereo_Count	0
8648	Undefined_Atom_Stereo_Count	2
102515443	Hydrogen_Bond_Acceptor_Count	12
20449316	Mono_Isotopic_Weight	151.08445790
82295	TPSA	142
5359371	Covalent_Unit_Count	1
21233	Hydrogen_Bond_Donor_Count	0
9823302	Isotope_Atom_Count	0
143716909	Exact_Mass	112.088815002
57470525	Exact_Mass	112.088815002
15267570	Total_Formal_Charge	0
58242	Molecular_Weight	250.29
604767	Hydrogen_Bond_Acceptor_Count	4
21688635	Total_Formal_Charge	0
129627867	Defined_Atom_Stereo_Count	0
20632752	Non-hydrogen_Atom_Count	7
7372	Structure_Complexity	104
5473310	Non-hydrogen_Atom_Count	21
12539503	Rotatable_Bond_Count	3
45071972	Hydrogen_Bond_Acceptor_Count	3
26877	Structure_Complexity	835
53731118	Hydrogen_Bond_Donor_Count	2
148191	Rotatable_Bond_Count	11
12468309	Non-hydrogen_Atom_Count	8
137944176	Mono_Isotopic_Weight	99.068413911
5231	Non-hydrogen_Atom_Count	14
102533943	XLogP3-AA	0.2
5367650	Total_Formal_Charge	0
53667577	Molecular_Weight	113.16
60196290	Rotatable_Bond_Count	10
12759	Hydrogen_Bond_Acceptor_Count	1
135911835	Undefined_Bond_Stereo_Count	0
11095	Covalent_Unit_Count	1
44310254	Mono_Isotopic_Weight	382.1578689
136005230	Defined_Atom_Stereo_Count	0
14133354	Mono_Isotopic_Weight	98.036779430
7774	Molecular_Weight	228.28
12451640	Covalent_Unit_Count	1
61511	Hydrogen_Bond_Acceptor_Count	6
81346	Defined_Atom_Stereo_Count	0
883785	Structure_Complexity	248
57190391	Isotope_Atom_Count	7
77152	Exact_Mass	246.06922237
46879283	Defined_Bond_Stereo_Count	0
6433192	Non-hydrogen_Atom_Count	65
522251	Isotope_Atom_Count	0
10993649	Total_Formal_Charge	0
4594378	Rotatable_Bond_Count	4
65051	Molecular_Weight	466.17
66599893	Non-hydrogen_Atom_Count	34
439530	Undefined_Bond_Stereo_Count	0
10761920	Defined_Atom_Stereo_Count	0
360	Defined_Atom_Stereo_Count	0
3265	Mono_Isotopic_Weight	384.23005950
595230	Mono_Isotopic_Weight	161.047678466
726	Structure_Complexity	1530
10276962	Undefined_Atom_Stereo_Count	0
387179	Non-hydrogen_Atom_Count	10
65092	TPSA	34.5
15140308	Rotatable_Bond_Count	3
7005	Exact_Mass	144.057514874
3777	Undefined_Bond_Stereo_Count	1
158770620	Non-hydrogen_Atom_Count	8
6419108	Defined_Bond_Stereo_Count	0
80108693	Undefined_Atom_Stereo_Count	0
68862	TPSA	52.6
83134	Mono_Isotopic_Weight	223.10558726
69215	TPSA	52.6
129628370	Exact_Mass	143.00409958
153754883	Molecular_Weight	114.06
7964	Rotatable_Bond_Count	0
89248	Defined_Atom_Stereo_Count	0
31134	Structure_Complexity	405
6451	Covalent_Unit_Count	1
1216	Hydrogen_Bond_Acceptor_Count	6
641001	Undefined_Bond_Stereo_Count	0
77676	Molecular_Weight	136.17
21802862	Exact_Mass	114.042927438
216247	Isotope_Atom_Count	0
3049771	Exact_Mass	169.085126602
28125489	Molecular_Weight	234.31
123664524	Molecular_Weight	114.19
56834578	Covalent_Unit_Count	1
133612499	Undefined_Bond_Stereo_Count	0
54033586	Covalent_Unit_Count	1
7017101	Exact_Mass	124.063662883
11957463	Defined_Bond_Stereo_Count	0
70689318	XLogP3-AA	3.6
102198498	Defined_Atom_Stereo_Count	0
1	Tautomer_Count	1
15550385	Hydrogen_Bond_Acceptor_Count	3
2779024	Molecular_Weight	126.03
4595	Hydrogen_Bond_Donor_Count	0
45116684	Covalent_Unit_Count	1
6435824	Structure_Complexity	125
18410493	Structure_Complexity	111
135424770	Hydrogen_Bond_Donor_Count	1
19774	Undefined_Bond_Stereo_Count	0
70	Molecular_Weight	130.14
12228440	Covalent_Unit_Count	1
46936613	Covalent_Unit_Count	1
49784084	Defined_Atom_Stereo_Count	0
135531169	XLogP3-AA	2.7
141779543	Mono_Isotopic_Weight	98.073164938
54041	Tautomer_Count	2
103875	Tautomer_Count	1
78225435	Defined_Atom_Stereo_Count	3
5370221	Rotatable_Bond_Count	5
75443	Rotatable_Bond_Count	2
68891	Molecular_Weight	409.7
57493771	Non-hydrogen_Atom_Count	19
5486821	Isotope_Atom_Count	0
9571009	Undefined_Atom_Stereo_Count	1
22170205	Hydrogen_Bond_Acceptor_Count	5
44454985	Hydrogen_Bond_Acceptor_Count	11
7180	XLogP3	3.6
5370611	Structure_Complexity	303
644073	Hydrogen_Bond_Acceptor_Count	5
3045407	Undefined_Bond_Stereo_Count	0
9022	XLogP3-AA	2.1
44570629	Hydrogen_Bond_Donor_Count	1
41539	Non-hydrogen_Atom_Count	12
2641	Isotope_Atom_Count	0
541661	Undefined_Bond_Stereo_Count	0
10237	Total_Formal_Charge	0
13020083	Hydrogen_Bond_Acceptor_Count	10
10461263	Defined_Bond_Stereo_Count	0
22395644	Covalent_Unit_Count	1
5928432	Rotatable_Bond_Count	19
146156970	Exact_Mass	1346.574890
5745206	Structure_Complexity	824
66711	Molecular_Weight	238.31
534767	Rotatable_Bond_Count	2
4346	Undefined_Bond_Stereo_Count	0
53401856	Defined_Atom_Stereo_Count	0
44339135	Exact_Mass	547.14224784
70825	Molecular_Weight	206.32
285285	Exact_Mass	377.047153
11189402	Hydrogen_Bond_Donor_Count	1
9026	Covalent_Unit_Count	1
14989	Hydrogen_Bond_Donor_Count	7
60335	Molecular_Weight	262.43
517072	Non-hydrogen_Atom_Count	5
43095	Molecular_Weight	258.36
135410344	Defined_Bond_Stereo_Count	0
3082393	Rotatable_Bond_Count	10
33838	Hydrogen_Bond_Donor_Count	2
529266	Defined_Bond_Stereo_Count	0
54705095	Defined_Atom_Stereo_Count	6
50309	Tautomer_Count	3
19896519	Covalent_Unit_Count	1
74826	Mono_Isotopic_Weight	183.0581549
54520	Covalent_Unit_Count	1
8870	Structure_Complexity	46.1
3038505	Non-hydrogen_Atom_Count	39
79790	XLogP3-AA	3.5
3476986	Hydrogen_Bond_Donor_Count	1
10031428	Non-hydrogen_Atom_Count	43
274426	Undefined_Atom_Stereo_Count	4
447966	Isotope_Atom_Count	0
16212610	Structure_Complexity	382
292184	Molecular_Weight	164.01
25945	Tautomer_Count	2
21908476	Hydrogen_Bond_Donor_Count	1
1950	Defined_Atom_Stereo_Count	0
142901	Hydrogen_Bond_Donor_Count	0
45479834	Total_Formal_Charge	0
287983	Mono_Isotopic_Weight	85.089149355
2123	Non-hydrogen_Atom_Count	15
44144477	Undefined_Atom_Stereo_Count	0
129651751	Defined_Atom_Stereo_Count	0
6053	Defined_Bond_Stereo_Count	0
23423	Defined_Atom_Stereo_Count	9
24757913	TPSA	206
10517	Structure_Complexity	404
33786	TPSA	131
102614	Undefined_Atom_Stereo_Count	1
23039770	Rotatable_Bond_Count	2
88589623	Exact_Mass	665.30474055
10345214	Hydrogen_Bond_Donor_Count	3
3907	Exact_Mass	625.30330126
9908306	Rotatable_Bond_Count	4
20499147	Undefined_Atom_Stereo_Count	1
12302681	Non-hydrogen_Atom_Count	23
6324671	Undefined_Bond_Stereo_Count	0
7121	TPSA	55.8
19518	TPSA	69.2
10027822	Hydrogen_Bond_Donor_Count	2
107770	Structure_Complexity	415
397053	Rotatable_Bond_Count	4
6537099	Total_Formal_Charge	0
2734163	Covalent_Unit_Count	2
135444498	Molecular_Weight	152.19
60196314	Defined_Bond_Stereo_Count	0
35267	Isotope_Atom_Count	0
24780352	Defined_Bond_Stereo_Count	0
98047377	Undefined_Atom_Stereo_Count	0
18233	Molecular_Weight	102.09
44418576	Structure_Complexity	346
4132	Molecular_Weight	492.5
20112175	Molecular_Weight	92.09
975620	TPSA	24.9
84648	Isotope_Atom_Count	0
26462	TPSA	29.5
4055	Undefined_Atom_Stereo_Count	0
725	Tautomer_Count	1
53359023	Non-hydrogen_Atom_Count	27
105054	Undefined_Bond_Stereo_Count	0
12339043	Hydrogen_Bond_Acceptor_Count	1
142891	Molecular_Weight	276.07
44144454	Covalent_Unit_Count	4
11710986	XLogP3-AA	3.8
47547	Undefined_Atom_Stereo_Count	0
21634	Exact_Mass	207.162314293
131751341	Isotope_Atom_Count	0
19782479	Hydrogen_Bond_Acceptor_Count	2
54095609	Undefined_Atom_Stereo_Count	1
58881	TPSA	49.8
22404489	Covalent_Unit_Count	1
40813	Undefined_Atom_Stereo_Count	0
15773	Tautomer_Count	1
736172	Rotatable_Bond_Count	3
5319880	Hydrogen_Bond_Donor_Count	3
3246323	Hydrogen_Bond_Acceptor_Count	7
138106567	Covalent_Unit_Count	13
9919001	Structure_Complexity	507
897177	Structure_Complexity	501
54541930	Undefined_Bond_Stereo_Count	0
69986	Defined_Bond_Stereo_Count	0
44417326	Hydrogen_Bond_Donor_Count	3
196	Hydrogen_Bond_Donor_Count	2
11769	XLogP3	3.9
534566	Covalent_Unit_Count	1
137319701	Non-hydrogen_Atom_Count	28
5361848	Molecular_Weight	383.4
5320	Defined_Bond_Stereo_Count	0
72941779	Defined_Atom_Stereo_Count	0
90657669	Undefined_Atom_Stereo_Count	0
17028077	Covalent_Unit_Count	1
164825	Defined_Bond_Stereo_Count	0
45266646	Structure_Complexity	1110
751341	Molecular_Weight	301.29
236566	Total_Formal_Charge	0
9855448	Rotatable_Bond_Count	0
66581	Hydrogen_Bond_Donor_Count	0
5284607	Structure_Complexity	696
23705	Undefined_Bond_Stereo_Count	0
18314545	Exact_Mass	101.047678466
123835510	Hydrogen_Bond_Acceptor_Count	3
53737754	Exact_Mass	118.02660867
10393	Non-hydrogen_Atom_Count	10
57400316	XLogP3	1.9
6426854	XLogP3-AA	6.6
22134406	Molecular_Weight	113.11
159470	Undefined_Atom_Stereo_Count	0
176170	Undefined_Atom_Stereo_Count	0
36005	Covalent_Unit_Count	2
115205	Rotatable_Bond_Count	13
66051	Isotope_Atom_Count	0
21975	Undefined_Bond_Stereo_Count	0
20727813	Mono_Isotopic_Weight	80.062600255
10058531	Hydrogen_Bond_Donor_Count	2
91497276	Hydrogen_Bond_Donor_Count	0
2903	Hydrogen_Bond_Acceptor_Count	1
84591	XLogP3-AA	0
82839	Isotope_Atom_Count	0
123995	Molecular_Weight	740.2
8936	Defined_Bond_Stereo_Count	0
159952	Structure_Complexity	196
71360804	XLogP3	2.8
88473196	Non-hydrogen_Atom_Count	10
29701	Covalent_Unit_Count	1
13150	Defined_Bond_Stereo_Count	0
24194514	Defined_Bond_Stereo_Count	0
801066	XLogP3-AA	3.6
3104	TPSA	270
68071	Defined_Bond_Stereo_Count	0
4456484	Hydrogen_Bond_Acceptor_Count	12
56842000	Mono_Isotopic_Weight	601.944164
576026	Molecular_Weight	188.26
20515773	Undefined_Bond_Stereo_Count	0
57398258	Defined_Bond_Stereo_Count	0
449343	Isotope_Atom_Count	0
44404640	Molecular_Weight	651.9
3474	Defined_Atom_Stereo_Count	0
10000989	TPSA	68
165881712	Defined_Atom_Stereo_Count	0
14563	XLogP3-AA	3.4
126981343	Exact_Mass	114.104465066
7721	Undefined_Atom_Stereo_Count	0
91231076	Rotatable_Bond_Count	0
4535	Molecular_Weight	265.3
11990755	Rotatable_Bond_Count	4
584	Undefined_Atom_Stereo_Count	1
2764068	Rotatable_Bond_Count	4
756126	Undefined_Atom_Stereo_Count	0
62358	Total_Formal_Charge	0
10444160	Mono_Isotopic_Weight	237.10010796
5222465	Exact_Mass	110.03437374
11446361	Covalent_Unit_Count	1
550642	Hydrogen_Bond_Acceptor_Count	1
165857173	Hydrogen_Bond_Donor_Count	0
8424	Structure_Complexity	123
12196071	Undefined_Bond_Stereo_Count	0
44392176	Rotatable_Bond_Count	10
6918483	Defined_Atom_Stereo_Count	7
30971	Undefined_Bond_Stereo_Count	0
5282474	Hydrogen_Bond_Acceptor_Count	9
1548941	TPSA	70.8
1241301	Isotope_Atom_Count	0
94706	Covalent_Unit_Count	1
48918	Total_Formal_Charge	0
137185902	Defined_Bond_Stereo_Count	7
73343	Structure_Complexity	96.6
24901349	Non-hydrogen_Atom_Count	34
3340152	Structure_Complexity	115
11136668	Non-hydrogen_Atom_Count	63
2966	Mono_Isotopic_Weight	175.110947427
15817	Tautomer_Count	2
13045210	Undefined_Bond_Stereo_Count	0
227244	Mono_Isotopic_Weight	71.073499291
76285	Non-hydrogen_Atom_Count	16
101254310	Rotatable_Bond_Count	1
14612499	Non-hydrogen_Atom_Count	7
60196318	Hydrogen_Bond_Acceptor_Count	2
126968498	Defined_Bond_Stereo_Count	0
208	Molecular_Weight	260.14
19802062	Total_Formal_Charge	0
10113978	Defined_Atom_Stereo_Count	0
4462	Covalent_Unit_Count	1
1056	Isotope_Atom_Count	0
6413529	Defined_Bond_Stereo_Count	2
616632	Undefined_Bond_Stereo_Count	0
28788	Hydrogen_Bond_Donor_Count	1
60059	Hydrogen_Bond_Donor_Count	0
83528703	Defined_Bond_Stereo_Count	0
7643	Hydrogen_Bond_Donor_Count	0
8784	Defined_Bond_Stereo_Count	0
65977	Exact_Mass	216.11100700
18273	Rotatable_Bond_Count	1
2282	Hydrogen_Bond_Acceptor_Count	9
566849	Exact_Mass	168.09727168
11286453	Non-hydrogen_Atom_Count	8
25512	Undefined_Bond_Stereo_Count	0
3876660	TPSA	40
79048	Undefined_Bond_Stereo_Count	1
15016062	Hydrogen_Bond_Donor_Count	1
134283942	Exact_Mass	111.068413911
71309503	Structure_Complexity	151
16084	Hydrogen_Bond_Donor_Count	3
71072050	Undefined_Atom_Stereo_Count	0
414243	Defined_Atom_Stereo_Count	0
12702413	XLogP3	2
391138	XLogP3-AA	2.9
16221	Hydrogen_Bond_Donor_Count	0
17948845	Isotope_Atom_Count	0
10250	Structure_Complexity	230
73977874	Mono_Isotopic_Weight	110.073164938
25077993	Total_Formal_Charge	0
10813969	Defined_Bond_Stereo_Count	0
144179158	TPSA	0
23677058	Hydrogen_Bond_Donor_Count	1
461128	Rotatable_Bond_Count	2
801	Molecular_Weight	174.18
66898	Exact_Mass	207.09291458
2164	Non-hydrogen_Atom_Count	16
9795	Defined_Bond_Stereo_Count	0
60837	Non-hydrogen_Atom_Count	47
153929914	Defined_Atom_Stereo_Count	0
64972	TPSA	65
12262509	Isotope_Atom_Count	0
23724510	Exact_Mass	1711.80301090
25076512	Exact_Mass	1633.77700666
123630	Total_Formal_Charge	0
14454	Hydrogen_Bond_Acceptor_Count	1
10138980	Undefined_Atom_Stereo_Count	0
7180	Hydrogen_Bond_Acceptor_Count	3
62333	Covalent_Unit_Count	1
11198626	Hydrogen_Bond_Acceptor_Count	4
23432895	Non-hydrogen_Atom_Count	8
71432895	Hydrogen_Bond_Donor_Count	1
162344865	Mono_Isotopic_Weight	532.21105539
197926	TPSA	12
11389423	Mono_Isotopic_Weight	138.140850574
7067874	Rotatable_Bond_Count	5
13028028	Hydrogen_Bond_Acceptor_Count	2
72200166	Defined_Atom_Stereo_Count	3
16664362	Defined_Atom_Stereo_Count	0
9806229	TPSA	73.4
31411	Non-hydrogen_Atom_Count	30
41936	Defined_Atom_Stereo_Count	0
6418	Total_Formal_Charge	0
102724	Defined_Bond_Stereo_Count	0
135564890	Defined_Bond_Stereo_Count	0
9920369	Structure_Complexity	109
65741	Non-hydrogen_Atom_Count	16
12540907	TPSA	37.4
13704283	Mono_Isotopic_Weight	114.079312947
44580386	Mono_Isotopic_Weight	470.14871294
88342387	Rotatable_Bond_Count	1
10076625	Rotatable_Bond_Count	10
51380890	Defined_Bond_Stereo_Count	0
15311935	TPSA	76.5
78491	Mono_Isotopic_Weight	193.99424
6609	Defined_Bond_Stereo_Count	0
249266	XLogP3	4.5
50897	Molecular_Weight	383.4
278	Molecular_Weight	141.02
4571243	XLogP3-AA	4.2
72200722	Undefined_Atom_Stereo_Count	0
90622	Undefined_Atom_Stereo_Count	0
69342090	Molecular_Weight	108.10
5483631	Non-hydrogen_Atom_Count	1
77084	Molecular_Weight	188.34
107641	Non-hydrogen_Atom_Count	22
2734174	Rotatable_Bond_Count	3
39212	Rotatable_Bond_Count	9
11662332	Rotatable_Bond_Count	8
22836366	Exact_Mass	181.06966484
449346	Non-hydrogen_Atom_Count	13
4528	Non-hydrogen_Atom_Count	18
31952	Covalent_Unit_Count	1
8067	Tautomer_Count	1
65217	Hydrogen_Bond_Acceptor_Count	5
45344	TPSA	22.9
9577272	Molecular_Weight	221.30
12896	Exact_Mass	242.08037557
73449854	Structure_Complexity	1020
444025	Covalent_Unit_Count	1
7183	Defined_Atom_Stereo_Count	0
21117215	Covalent_Unit_Count	1
102514067	Structure_Complexity	123
10011883	Non-hydrogen_Atom_Count	8
35399	Total_Formal_Charge	0
5288759	Covalent_Unit_Count	1
44563146	Undefined_Bond_Stereo_Count	0
65647	Hydrogen_Bond_Acceptor_Count	4
72943	Molecular_Weight	502.7
19350299	Exact_Mass	152.99182081
76971015	Isotope_Atom_Count	0
75786	Exact_Mass	224.177630004
41536	Hydrogen_Bond_Acceptor_Count	4
5283742	Molecular_Weight	416.6
101049151	Isotope_Atom_Count	0
102601177	Covalent_Unit_Count	1
18764599	XLogP3-AA	0.2
21438815	Structure_Complexity	99.9
1150897	Defined_Bond_Stereo_Count	0
534055	Total_Formal_Charge	0
58223476	Defined_Bond_Stereo_Count	0
87293	Undefined_Bond_Stereo_Count	0
54460486	Isotope_Atom_Count	0
3361	Undefined_Atom_Stereo_Count	2
68566969	TPSA	9.2
439577	Hydrogen_Bond_Donor_Count	1
4350	Defined_Bond_Stereo_Count	0
448513	XLogP3	0.4
87985965	Defined_Atom_Stereo_Count	0
91482	Defined_Bond_Stereo_Count	0
25079036	Tautomer_Count	996
86278404	TPSA	110
9893	TPSA	26.3
69332494	Isotope_Atom_Count	0
12868288	Exact_Mass	114.104465066
446753	Rotatable_Bond_Count	4
14130	Structure_Complexity	212
50990560	TPSA	195
2005	Structure_Complexity	156
94987	Total_Formal_Charge	0
60196260	Exact_Mass	305.18383758
2228691	Molecular_Weight	367.8
6328	Mono_Isotopic_Weight	141.92795
55918	Structure_Complexity	347
80108693	Isotope_Atom_Count	0
3002335	Defined_Atom_Stereo_Count	0
71406	Isotope_Atom_Count	0
93189	Molecular_Weight	178.27
108156	Tautomer_Count	1
34481	XLogP3-AA	4.1
24865390	Total_Formal_Charge	0
19738571	Non-hydrogen_Atom_Count	7
34574	Undefined_Atom_Stereo_Count	0
23354329	Structure_Complexity	111
63786	Isotope_Atom_Count	0
146156882	Undefined_Bond_Stereo_Count	0
853863	Molecular_Weight	296.1
4618	Undefined_Atom_Stereo_Count	1
6432517	Structure_Complexity	500
135505	Molecular_Weight	243.35
122236791	Covalent_Unit_Count	2
17722	Defined_Bond_Stereo_Count	0
17963141	TPSA	87.3
17236	Rotatable_Bond_Count	4
90906739	Covalent_Unit_Count	1
11516136	TPSA	64.6
129010024	Undefined_Atom_Stereo_Count	0
136219151	Exact_Mass	404.1767745
54433749	Non-hydrogen_Atom_Count	7
51755	Structure_Complexity	500
23	Defined_Bond_Stereo_Count	0
21803	Structure_Complexity	278
13076	Non-hydrogen_Atom_Count	16
90895196	Isotope_Atom_Count	0
10540046	Molecular_Weight	271.34
198706	Hydrogen_Bond_Acceptor_Count	5
98949	Undefined_Atom_Stereo_Count	3
10317	Hydrogen_Bond_Donor_Count	2
6967	Mono_Isotopic_Weight	287.00344812
71377454	Rotatable_Bond_Count	1
45280821	Molecular_Weight	1112.4
99930	Total_Formal_Charge	0
123592678	Undefined_Atom_Stereo_Count	2
158793	Hydrogen_Bond_Acceptor_Count	5
5215	Exact_Mass	250.05244675
57656641	Non-hydrogen_Atom_Count	27
42790	Total_Formal_Charge	0
670	Defined_Atom_Stereo_Count	0
101863	Tautomer_Count	1
534838	Exact_Mass	94.053098200
12933282	Total_Formal_Charge	0
70719	Structure_Complexity	74.9
18999	Covalent_Unit_Count	1
5365811	Isotope_Atom_Count	0
93702	Hydrogen_Bond_Acceptor_Count	16
67296898	Mono_Isotopic_Weight	114.068079557
25945	Isotope_Atom_Count	0
75641	Non-hydrogen_Atom_Count	15
3016390	Mono_Isotopic_Weight	118.099379685
5360881	Total_Formal_Charge	0
64971	Molecular_Weight	456.7
56841980	Hydrogen_Bond_Donor_Count	5
20827794	Hydrogen_Bond_Acceptor_Count	0
14094186	Exact_Mass	99.043261792
84221363	Undefined_Atom_Stereo_Count	0
46490	TPSA	128
6713988	Hydrogen_Bond_Donor_Count	4
1551097	Structure_Complexity	385
23705	Defined_Atom_Stereo_Count	0
129861997	Undefined_Bond_Stereo_Count	0
36084	Hydrogen_Bond_Donor_Count	2
49862626	Defined_Bond_Stereo_Count	0
10087661	XLogP3-AA	6.1
3745420	Undefined_Atom_Stereo_Count	0
805985	Non-hydrogen_Atom_Count	23
175948	Rotatable_Bond_Count	3
548185	TPSA	55
86805	TPSA	82
445555	Isotope_Atom_Count	0
91847008	Non-hydrogen_Atom_Count	23
20490762	TPSA	62.8
154419142	Rotatable_Bond_Count	1
657308	Mono_Isotopic_Weight	411.14091
6473973	Hydrogen_Bond_Acceptor_Count	14
11957587	Total_Formal_Charge	0
91003779	Undefined_Bond_Stereo_Count	0
516	Defined_Bond_Stereo_Count	0
54480591	Undefined_Bond_Stereo_Count	1
16049024	Non-hydrogen_Atom_Count	34
60789	Defined_Bond_Stereo_Count	0
20137	Total_Formal_Charge	0
657298	Defined_Bond_Stereo_Count	0
18048	Covalent_Unit_Count	1
34313	Structure_Complexity	273
71311389	Total_Formal_Charge	0
86186	Defined_Bond_Stereo_Count	0
18998026	TPSA	66.2
25102847	Undefined_Bond_Stereo_Count	0
61444	Covalent_Unit_Count	9
926	Non-hydrogen_Atom_Count	44
856	Defined_Bond_Stereo_Count	0
7712	Mono_Isotopic_Weight	162.068079557
6708461	Hydrogen_Bond_Acceptor_Count	16
91711338	Defined_Atom_Stereo_Count	6
83949	Structure_Complexity	1210
3068367	Defined_Bond_Stereo_Count	0
62275	Hydrogen_Bond_Acceptor_Count	4
28500	Defined_Atom_Stereo_Count	0
273577	Structure_Complexity	272
97944	Tautomer_Count	1
915014	Non-hydrogen_Atom_Count	26
134008	Rotatable_Bond_Count	4
79324217	Exact_Mass	99.104799419
183679	Defined_Atom_Stereo_Count	0
248	Isotope_Atom_Count	0
57659	Mono_Isotopic_Weight	311.199762429
556872	Structure_Complexity	105
45359047	Defined_Atom_Stereo_Count	6
1343	Molecular_Weight	226.19
13707481	Undefined_Atom_Stereo_Count	0
111727	Non-hydrogen_Atom_Count	14
17945002	Undefined_Bond_Stereo_Count	0
4247	Isotope_Atom_Count	0
409350	Covalent_Unit_Count	1
12625720	Undefined_Atom_Stereo_Count	2
102	Structure_Complexity	83
9786	Undefined_Bond_Stereo_Count	0
145721938	Structure_Complexity	596
3023	Undefined_Bond_Stereo_Count	0
91196148	Mono_Isotopic_Weight	1201.84136802
130054486	XLogP3-AA	0.6
9806063	Rotatable_Bond_Count	0
18990949	Exact_Mass	101.047678466
21863610	Defined_Atom_Stereo_Count	0
10772	Mono_Isotopic_Weight	165.042593085
5013	Mono_Isotopic_Weight	227.142247555
15461303	Structure_Complexity	682
89590	Rotatable_Bond_Count	3
9874874	Hydrogen_Bond_Acceptor_Count	11
297618	Undefined_Bond_Stereo_Count	0
633	Defined_Bond_Stereo_Count	0
53683458	Covalent_Unit_Count	1
57435862	Undefined_Atom_Stereo_Count	0
23187765	Defined_Atom_Stereo_Count	0
44565779	Isotope_Atom_Count	0
5834	Undefined_Atom_Stereo_Count	0
2776282	TPSA	41.1
167724	Tautomer_Count	1
790	Structure_Complexity	190
94746	Non-hydrogen_Atom_Count	8
5311309	Undefined_Bond_Stereo_Count	0
11142	XLogP3-AA	3.4
3061720	Molecular_Weight	276.76
8249	TPSA	103
16102855	Structure_Complexity	984
42254	Exact_Mass	481.16964407
699683	Defined_Bond_Stereo_Count	0
25137873	Isotope_Atom_Count	0
2734181	Isotope_Atom_Count	0
53373584	Isotope_Atom_Count	0
439246	Isotope_Atom_Count	0
23441	Isotope_Atom_Count	0
447153	TPSA	20.2
53956489	Covalent_Unit_Count	1
44144456	Isotope_Atom_Count	0
93074	Structure_Complexity	65.1
22996964	Hydrogen_Bond_Donor_Count	0
10731	Non-hydrogen_Atom_Count	15
6440764	Molecular_Weight	574.3
123195542	Structure_Complexity	74.2
60154328	Defined_Atom_Stereo_Count	0
67303	Non-hydrogen_Atom_Count	16
56842239	Covalent_Unit_Count	3
94617	Hydrogen_Bond_Donor_Count	0
22081149	Molecular_Weight	94.11
517277	Molecular_Weight	151.990
20861	Non-hydrogen_Atom_Count	10
3032537	Hydrogen_Bond_Donor_Count	2
45120331	Molecular_Weight	112.17
25512	Defined_Atom_Stereo_Count	0
20885	Undefined_Atom_Stereo_Count	0
92775	Molecular_Weight	272.25
22227	Isotope_Atom_Count	0
6420041	Molecular_Weight	408.2
87820	Defined_Atom_Stereo_Count	0
26444	Rotatable_Bond_Count	1
74601	Structure_Complexity	135
60510	Isotope_Atom_Count	0
2734819	Defined_Atom_Stereo_Count	0
56670170	Rotatable_Bond_Count	5
5053	Structure_Complexity	497
80426	Defined_Bond_Stereo_Count	0
13396	Molecular_Weight	118.14
4237	Covalent_Unit_Count	1
297691	Covalent_Unit_Count	1
17571562	Non-hydrogen_Atom_Count	47
83247	Defined_Atom_Stereo_Count	0
123745949	Rotatable_Bond_Count	2
49	TPSA	54.4
225568	TPSA	43.1
91807240	Undefined_Atom_Stereo_Count	2
68510675	Hydrogen_Bond_Donor_Count	2
108018	Defined_Bond_Stereo_Count	0
5352833	Covalent_Unit_Count	1
54684461	Hydrogen_Bond_Acceptor_Count	10
9650	Undefined_Bond_Stereo_Count	0
51047	Undefined_Bond_Stereo_Count	0
24840945	Mono_Isotopic_Weight	127.099714038
23378923	Undefined_Bond_Stereo_Count	0
12242824	Non-hydrogen_Atom_Count	11
11957654	Covalent_Unit_Count	2
25014598	Total_Formal_Charge	0
59116084	Covalent_Unit_Count	1
1146	Undefined_Bond_Stereo_Count	0
61199	Defined_Bond_Stereo_Count	0
73943	XLogP3-AA	0.9
11966141	Structure_Complexity	1450
17931	Structure_Complexity	403
32249	Defined_Atom_Stereo_Count	0
123145	Non-hydrogen_Atom_Count	3
9570092	TPSA	57.9
6501	Undefined_Atom_Stereo_Count	2
667468	XLogP3	4.3
46878363	Hydrogen_Bond_Donor_Count	4
71645	TPSA	46.5
20861	Molecular_Weight	134.17
9892539	Undefined_Bond_Stereo_Count	0
56704	Structure_Complexity	410
33899	Total_Formal_Charge	0
134129158	Exact_Mass	336.97721
71759	TPSA	48.9
63418	Molecular_Weight	345.8
66502	TPSA	167
18622352	Rotatable_Bond_Count	1
110821	Total_Formal_Charge	0
21162824	Undefined_Bond_Stereo_Count	0
101808860	TPSA	20.2
21927749	Structure_Complexity	98.6
12146	XLogP3-AA	1.9
328397	Undefined_Bond_Stereo_Count	0
46897877	Hydrogen_Bond_Donor_Count	5
1864	Non-hydrogen_Atom_Count	18
9571004	Total_Formal_Charge	0
152274	Total_Formal_Charge	0
53321481	Covalent_Unit_Count	1
135398735	Undefined_Bond_Stereo_Count	0
121945	Isotope_Atom_Count	0
330	Undefined_Bond_Stereo_Count	0
17891	Defined_Atom_Stereo_Count	0
68780878	Non-hydrogen_Atom_Count	30
21885122	Rotatable_Bond_Count	4
6035	Undefined_Bond_Stereo_Count	0
58423153	Tautomer_Count	3
88098	Rotatable_Bond_Count	3
154517172	Mono_Isotopic_Weight	97.089149355
165141	Exact_Mass	73.052763847
10076625	Hydrogen_Bond_Acceptor_Count	10
868	Mono_Isotopic_Weight	88.016043985
135403802	Structure_Complexity	645
10405144	Non-hydrogen_Atom_Count	18
9037	Undefined_Atom_Stereo_Count	0
129794341	XLogP3-AA	0.1
31398	Hydrogen_Bond_Donor_Count	0
2849	Hydrogen_Bond_Donor_Count	3
12695798	Non-hydrogen_Atom_Count	8
8362	Rotatable_Bond_Count	3
23278031	Isotope_Atom_Count	0
140143509	Exact_Mass	97.016378338
923480	Structure_Complexity	352
3531736	XLogP3-AA	5.1
54585032	Mono_Isotopic_Weight	211.063328530
5523	TPSA	32.7
5367719	Total_Formal_Charge	0
21701560	Structure_Complexity	390
7157007	Structure_Complexity	151
68195	Undefined_Atom_Stereo_Count	0
56340	XLogP3-AA	3.3
224	Mono_Isotopic_Weight	347.06308480
7748	Non-hydrogen_Atom_Count	7
820051	Non-hydrogen_Atom_Count	12
317505	Hydrogen_Bond_Acceptor_Count	2
537142	Undefined_Atom_Stereo_Count	2
53860785	Undefined_Bond_Stereo_Count	0
122316	Structure_Complexity	212
10148993	Undefined_Bond_Stereo_Count	0
5324584	Defined_Atom_Stereo_Count	0
71417	Defined_Atom_Stereo_Count	0
11332503	Molecular_Weight	137.14
23674098	Non-hydrogen_Atom_Count	28
1647	TPSA	49.8
24779724	Defined_Bond_Stereo_Count	0
8254	Structure_Complexity	2.8
85335	XLogP3-AA	1.6
25314	Molecular_Weight	291.8
3096300	Total_Formal_Charge	0
11325699	Rotatable_Bond_Count	6
26560	Hydrogen_Bond_Donor_Count	0
15689273	Undefined_Bond_Stereo_Count	0
66615619	Hydrogen_Bond_Acceptor_Count	6
17235	Exact_Mass	310.287180451
89027474	Structure_Complexity	101
349094	Hydrogen_Bond_Donor_Count	1
703965	Total_Formal_Charge	0
53319739	Covalent_Unit_Count	1
101988841	Hydrogen_Bond_Acceptor_Count	0
443407	Structure_Complexity	772
43424	Exact_Mass	409.1894101
4373	XLogP3	0.1
23465004	Hydrogen_Bond_Donor_Count	1
135546482	Exact_Mass	253.085126602
30190	Exact_Mass	414.161979940
24838350	Molecular_Weight	1058.1
5986	Non-hydrogen_Atom_Count	28
4581	Structure_Complexity	111
70687305	Total_Formal_Charge	0
7121	Exact_Mass	182.05790880
70291	Non-hydrogen_Atom_Count	11
5284451	Exact_Mass	401.19507097
137348324	Total_Formal_Charge	0
6588	XLogP3-AA	3.6
23657874	Defined_Atom_Stereo_Count	0
23274061	Undefined_Bond_Stereo_Count	0
121732	XLogP3-AA	1.4
52941462	Hydrogen_Bond_Donor_Count	1
16038399	Total_Formal_Charge	0
98423	Covalent_Unit_Count	1
14459015	Hydrogen_Bond_Acceptor_Count	5
2723722	Exact_Mass	358.25079494
184	Covalent_Unit_Count	1
70698172	Structure_Complexity	499
11400746	Isotope_Atom_Count	0
7926	Exact_Mass	250.05410052
54758599	Hydrogen_Bond_Acceptor_Count	30
556722	Isotope_Atom_Count	0
64992139	Total_Formal_Charge	0
449331	Undefined_Bond_Stereo_Count	0
2981	Non-hydrogen_Atom_Count	16
3037082	Non-hydrogen_Atom_Count	31
6604889	TPSA	69.2
2188	Exact_Mass	340.9066861
53079	Structure_Complexity	287
2277	Total_Formal_Charge	0
25324	Structure_Complexity	212
99730	Isotope_Atom_Count	0
8368	Isotope_Atom_Count	0
969105	Defined_Atom_Stereo_Count	0
8159	Exact_Mass	158.130679813
16667743	TPSA	128
14577976	TPSA	51
156618103	Hydrogen_Bond_Donor_Count	8
155346	Exact_Mass	287.16337692
12524131	Undefined_Atom_Stereo_Count	0
21997268	Exact_Mass	534.36688732
53348188	Hydrogen_Bond_Acceptor_Count	8
4658	XLogP3-AA	4.5
616651	Hydrogen_Bond_Donor_Count	1
3075	Isotope_Atom_Count	0
57992058	Undefined_Bond_Stereo_Count	0
2734217	Structure_Complexity	433
146719	Rotatable_Bond_Count	3
71309905	Covalent_Unit_Count	1
448577	TPSA	87.5
582251	TPSA	45.8
99129	Covalent_Unit_Count	1
13055556	Isotope_Atom_Count	0
21117498	Defined_Atom_Stereo_Count	0
85360	Total_Formal_Charge	0
6266	Isotope_Atom_Count	0
449223	Hydrogen_Bond_Donor_Count	4
17126	Isotope_Atom_Count	0
19989301	Defined_Bond_Stereo_Count	0
15736732	Hydrogen_Bond_Acceptor_Count	4
10343454	XLogP3-AA	4.6
55300514	Defined_Atom_Stereo_Count	0
4367	Total_Formal_Charge	0
142773668	Hydrogen_Bond_Donor_Count	1
5742673	Defined_Atom_Stereo_Count	2
558206	Tautomer_Count	1
6378649	Undefined_Bond_Stereo_Count	0
22082840	Undefined_Bond_Stereo_Count	0
566032	Total_Formal_Charge	0
25897919	Tautomer_Count	1
5480431	Hydrogen_Bond_Donor_Count	5
220338	Tautomer_Count	1
56626	Molecular_Weight	323.4
149127983	Molecular_Weight	100.16
71035	Non-hydrogen_Atom_Count	18
16229	Non-hydrogen_Atom_Count	28
128882	Structure_Complexity	794
12646624	Non-hydrogen_Atom_Count	6
132306	Defined_Atom_Stereo_Count	0
31005	Defined_Bond_Stereo_Count	0
11398	Exact_Mass	135.104799419
580	Rotatable_Bond_Count	7
449435	Defined_Bond_Stereo_Count	0
52943302	Mono_Isotopic_Weight	399.13944780
69333861	Hydrogen_Bond_Acceptor_Count	4
13895197	Hydrogen_Bond_Donor_Count	5
2735362	Undefined_Bond_Stereo_Count	0
54445182	Defined_Bond_Stereo_Count	0
4896	TPSA	141
99486	TPSA	26.3
86446	Molecular_Weight	282.36
9824345	TPSA	108
41017	Molecular_Weight	211.5
53167	Isotope_Atom_Count	0
894	Defined_Bond_Stereo_Count	0
8211	Molecular_Weight	241.46
25125217	Mono_Isotopic_Weight	487.18312413
11725766	Undefined_Bond_Stereo_Count	0
55299847	XLogP3-AA	0.5
123804812	Mono_Isotopic_Weight	94.078250319
69333614	Total_Formal_Charge	0
136784	Rotatable_Bond_Count	0
57396149	Rotatable_Bond_Count	7
59043	Molecular_Weight	252.11
6324599	Structure_Complexity	1610
54394834	Covalent_Unit_Count	1
15216102	Covalent_Unit_Count	1
2440	XLogP3	2.1
6424	Exact_Mass	309.80265
69362	Molecular_Weight	118.13
637552	Total_Formal_Charge	0
6761	Undefined_Atom_Stereo_Count	0
69333782	Undefined_Bond_Stereo_Count	0
96670	Mono_Isotopic_Weight	294.125594432
94866	Undefined_Bond_Stereo_Count	0
79608	Rotatable_Bond_Count	0
10702	Isotope_Atom_Count	0
15256279	Exact_Mass	99.104799419
451447	Exact_Mass	279.0734316
3922	Total_Formal_Charge	0
71818	Total_Formal_Charge	0
10287749	XLogP3-AA	3.6
23662389	Undefined_Atom_Stereo_Count	0
10393	Isotope_Atom_Count	0
23545756	Structure_Complexity	78.1
47547	Isotope_Atom_Count	0
12750	Molecular_Weight	83.13
68216	Undefined_Bond_Stereo_Count	0
8779	Covalent_Unit_Count	6
18387020	Hydrogen_Bond_Donor_Count	0
887824	Rotatable_Bond_Count	3
158076	Exact_Mass	293.1294900
15617	Undefined_Bond_Stereo_Count	0
543069	Total_Formal_Charge	0
72683639	Defined_Atom_Stereo_Count	0
5283547	Molecular_Weight	580.9
12734	Defined_Atom_Stereo_Count	0
14340	Defined_Atom_Stereo_Count	0
909750	Structure_Complexity	528
10953	Mono_Isotopic_Weight	100.052429494
82185	Hydrogen_Bond_Donor_Count	1
50989726	Molecular_Weight	97.16
1990	Mono_Isotopic_Weight	75.032028402
18062	Defined_Atom_Stereo_Count	0
5719	Isotope_Atom_Count	0
6366720	Defined_Bond_Stereo_Count	1
69288	Non-hydrogen_Atom_Count	18
446578	Hydrogen_Bond_Donor_Count	3
10240797	Structure_Complexity	88.5
10931233	Mono_Isotopic_Weight	1197.20932
108242	Structure_Complexity	375
54582822	Total_Formal_Charge	0
22047	Non-hydrogen_Atom_Count	23
9862272	Non-hydrogen_Atom_Count	23
1021	Covalent_Unit_Count	1
132998	Rotatable_Bond_Count	6
20890	Undefined_Bond_Stereo_Count	0
17004	TPSA	20.2
54066875	Undefined_Atom_Stereo_Count	0
78557	TPSA	9.7
2724995	Exact_Mass	239.10655327
5355858	Tautomer_Count	1
656732	Defined_Atom_Stereo_Count	0
139592645	Covalent_Unit_Count	1
121235738	Isotope_Atom_Count	0
55191	Defined_Atom_Stereo_Count	0
11187581	Hydrogen_Bond_Donor_Count	3
41019	Non-hydrogen_Atom_Count	11
13854	Non-hydrogen_Atom_Count	7
3081349	Defined_Atom_Stereo_Count	0
71434160	Rotatable_Bond_Count	6
46231497	Exact_Mass	386.18550935
64715	Tautomer_Count	2
13594	Defined_Atom_Stereo_Count	0
38988396	Hydrogen_Bond_Donor_Count	2
95705	Mono_Isotopic_Weight	170.06914219
6917860	Exact_Mass	554.05420021
644007	Structure_Complexity	405
449355	Non-hydrogen_Atom_Count	44
5360349	Non-hydrogen_Atom_Count	11
6437063	Undefined_Atom_Stereo_Count	0
54394679	Defined_Bond_Stereo_Count	0
11101	Undefined_Bond_Stereo_Count	0
24530	Undefined_Atom_Stereo_Count	0
137347968	Isotope_Atom_Count	0
156599213	Covalent_Unit_Count	1
78457	TPSA	72.6
87929779	Total_Formal_Charge	0
475319	Molecular_Weight	426.4
41530	Molecular_Weight	231.72
14354	Mono_Isotopic_Weight	214.074227566
73919	Undefined_Atom_Stereo_Count	0
5282340	Hydrogen_Bond_Donor_Count	0
25203400	Total_Formal_Charge	1
23638	Undefined_Bond_Stereo_Count	0
40927	TPSA	53.1
14294229	Undefined_Atom_Stereo_Count	0
22201	Undefined_Atom_Stereo_Count	0
19176	Exact_Mass	205.019183
97617	Rotatable_Bond_Count	0
12518095	Defined_Bond_Stereo_Count	0
5773	Mono_Isotopic_Weight	415.06604838
5988	Structure_Complexity	395
59221	Mono_Isotopic_Weight	367.15108
57404185	Total_Formal_Charge	0
81766	XLogP3-AA	0.8
448071	Mono_Isotopic_Weight	84.093900383
79476	Molecular_Weight	248.4
53456	Mono_Isotopic_Weight	249.07495584
44139752	Structure_Complexity	337
3084049	Hydrogen_Bond_Donor_Count	14
2550	Rotatable_Bond_Count	3
123611	TPSA	901
16638	Defined_Atom_Stereo_Count	0
54339	Hydrogen_Bond_Acceptor_Count	3
37995	XLogP3-AA	3.2
8109	Mono_Isotopic_Weight	104.083729621
53693313	Hydrogen_Bond_Acceptor_Count	2
17040	Structure_Complexity	182
132302	Tautomer_Count	1
540877	Undefined_Atom_Stereo_Count	6
193846	Isotope_Atom_Count	0
12699188	Hydrogen_Bond_Donor_Count	2
4739617	Isotope_Atom_Count	0
527	Hydrogen_Bond_Acceptor_Count	1
19067730	Covalent_Unit_Count	1
170295	Tautomer_Count	1
16932	Exact_Mass	216.093900383
71895	Exact_Mass	269.10519334
59503411	Exact_Mass	193.12745433
199758	Non-hydrogen_Atom_Count	23
69333926	Molecular_Weight	108.10
17466	Non-hydrogen_Atom_Count	38
5288783	Non-hydrogen_Atom_Count	30
139449	Molecular_Weight	94.15
57458911	Non-hydrogen_Atom_Count	17
129634850	Rotatable_Bond_Count	1
313637	Exact_Mass	269.13889351
247704	TPSA	72.7
107647	Tautomer_Count	1
5280490	Undefined_Bond_Stereo_Count	0
444698	Rotatable_Bond_Count	4
7102	Rotatable_Bond_Count	1
23683938	Exact_Mass	198.01403222
126	Structure_Complexity	93.1
20710	Tautomer_Count	1
46830489	XLogP3-AA	4.7
817096	Covalent_Unit_Count	1
3034024	Defined_Atom_Stereo_Count	0
858	TPSA	29.6
3806	Covalent_Unit_Count	1
22965786	Rotatable_Bond_Count	0
53001	Structure_Complexity	252
517232	Total_Formal_Charge	0
88269064	Exact_Mass	113.047678466
140470	Defined_Atom_Stereo_Count	0
49865920	Exact_Mass	350.199428076
11024312	Defined_Atom_Stereo_Count	8
25023855	Undefined_Bond_Stereo_Count	0
142952	Structure_Complexity	107
5459910	Structure_Complexity	547
136183544	Hydrogen_Bond_Acceptor_Count	9
6453608	Tautomer_Count	1
11140	Rotatable_Bond_Count	1
135419182	Undefined_Atom_Stereo_Count	0
2733293	Hydrogen_Bond_Acceptor_Count	2
59295925	Defined_Atom_Stereo_Count	1
53232451	TPSA	102
8819	Isotope_Atom_Count	0
16683023	Rotatable_Bond_Count	4
13684981	Defined_Atom_Stereo_Count	0
439302	Mono_Isotopic_Weight	1006.43645793
6433547	Covalent_Unit_Count	1
111332	Exact_Mass	386.20932405
45437	Total_Formal_Charge	0
16129878	Hydrogen_Bond_Acceptor_Count	46
445344	Mono_Isotopic_Weight	893.21967532
445071	Total_Formal_Charge	0
71072050	Isotope_Atom_Count	0
5368396	XLogP3-AA	11
18569	Non-hydrogen_Atom_Count	6
138496	Non-hydrogen_Atom_Count	8
12036417	Defined_Atom_Stereo_Count	0
3597	Exact_Mass	488.31378912
70695759	Defined_Atom_Stereo_Count	0
14795102	TPSA	40.5
5324560	Non-hydrogen_Atom_Count	9
5702031	TPSA	46.3
638011	Defined_Atom_Stereo_Count	0
11261	Total_Formal_Charge	0
18924037	Covalent_Unit_Count	1
71317097	Hydrogen_Bond_Donor_Count	5
4789	Undefined_Bond_Stereo_Count	0
9460	Exact_Mass	225.126597491
156414	Total_Formal_Charge	0
98365	Undefined_Bond_Stereo_Count	0
135491728	Isotope_Atom_Count	0
8626	Exact_Mass	891.9734866
57400037	Rotatable_Bond_Count	3
4975	Isotope_Atom_Count	0
67678949	TPSA	18.5
166556	Defined_Bond_Stereo_Count	0
689043	Total_Formal_Charge	0
74318	Structure_Complexity	191
73426	TPSA	49.8
83045	Defined_Atom_Stereo_Count	0
6539005	Structure_Complexity	458
12529691	Undefined_Bond_Stereo_Count	0
129868321	Defined_Atom_Stereo_Count	0
131737226	Hydrogen_Bond_Acceptor_Count	6
129652927	TPSA	38.7
134754219	Covalent_Unit_Count	1
40466900	Hydrogen_Bond_Donor_Count	0
2219	Undefined_Atom_Stereo_Count	3
68234591	XLogP3-AA	1.1
135439051	Rotatable_Bond_Count	12
12534276	Molecular_Weight	112.17
16141649	Non-hydrogen_Atom_Count	125
11640390	Covalent_Unit_Count	1
21916	Hydrogen_Bond_Acceptor_Count	2
66727	Hydrogen_Bond_Acceptor_Count	3
52165	Undefined_Bond_Stereo_Count	0
17480032	Undefined_Atom_Stereo_Count	0
13597	Covalent_Unit_Count	1
16220061	Rotatable_Bond_Count	12
81120	Undefined_Bond_Stereo_Count	0
120826	XLogP3-AA	1.1
135915	Tautomer_Count	28
135566371	TPSA	123
24181476	Exact_Mass	220.89796
3036222	Structure_Complexity	355
21651128	Total_Formal_Charge	0
65595	Hydrogen_Bond_Donor_Count	1
12607503	Molecular_Weight	96.13
133562458	Undefined_Atom_Stereo_Count	1
90996	Molecular_Weight	328.9
60992	Hydrogen_Bond_Acceptor_Count	2
18626423	Non-hydrogen_Atom_Count	8
10434211	Covalent_Unit_Count	1
93193	Defined_Bond_Stereo_Count	0
9547261	Defined_Bond_Stereo_Count	3
727	Structure_Complexity	104
93	Molecular_Weight	160.12
11626384	Molecular_Weight	441.9
11105310	Total_Formal_Charge	0
331501	Exact_Mass	112.063662883
86146	Hydrogen_Bond_Acceptor_Count	3
59896759	Molecular_Weight	225.15
444885	Structure_Complexity	403
118984396	Defined_Atom_Stereo_Count	2
18329551	Defined_Atom_Stereo_Count	0
198231	Defined_Bond_Stereo_Count	0
15559317	XLogP3-AA	2.1
22335779	Rotatable_Bond_Count	2
68669	Isotope_Atom_Count	0
66545744	Defined_Atom_Stereo_Count	2
46919879	Molecular_Weight	490.5
118208260	Rotatable_Bond_Count	2
17754007	Defined_Bond_Stereo_Count	0
16431	Defined_Bond_Stereo_Count	0
59283	Defined_Atom_Stereo_Count	0
14010333	Non-hydrogen_Atom_Count	23
8892	Undefined_Bond_Stereo_Count	0
46856306	TPSA	104
60196341	Undefined_Atom_Stereo_Count	14
4908365	XLogP3-AA	2.3
87870867	Mono_Isotopic_Weight	113.047678466
20465	Covalent_Unit_Count	1
70265544	Molecular_Weight	107.11
11932	Exact_Mass	284.0847040
67233382	Undefined_Bond_Stereo_Count	0
11159021	Molecular_Weight	383.6
78819	Rotatable_Bond_Count	5
535856	TPSA	25.8
68026923	XLogP3-AA	1.2
339496	Undefined_Bond_Stereo_Count	0
84531	Exact_Mass	152.120115130
20082658	Undefined_Atom_Stereo_Count	1
4020	Defined_Atom_Stereo_Count	0
12573513	Isotope_Atom_Count	0
101982233	Structure_Complexity	0
3589	Rotatable_Bond_Count	0
21322859	TPSA	20.3
9400	Total_Formal_Charge	0
90863456	XLogP3-AA	2.8
2608576	Non-hydrogen_Atom_Count	22
10364560	Structure_Complexity	565
23278143	Non-hydrogen_Atom_Count	19
9282	Total_Formal_Charge	2
98148766	Covalent_Unit_Count	1
162379291	Defined_Atom_Stereo_Count	0
11154544	Defined_Bond_Stereo_Count	0
102233552	Total_Formal_Charge	0
11073376	Isotope_Atom_Count	0
3496	Rotatable_Bond_Count	4
12591596	Undefined_Atom_Stereo_Count	0
130121992	Defined_Atom_Stereo_Count	0
29420	Undefined_Bond_Stereo_Count	0
91302186	Defined_Atom_Stereo_Count	0
16659836	Isotope_Atom_Count	0
60196297	TPSA	86.8
54580051	Structure_Complexity	654
57485872	Defined_Atom_Stereo_Count	0
17842350	Defined_Atom_Stereo_Count	0
4323059	Molecular_Weight	138.14
11229	Exact_Mass	100.125200510
62217	Exact_Mass	263.094628657
59435876	Non-hydrogen_Atom_Count	10
6852393	Hydrogen_Bond_Donor_Count	0
83883	Rotatable_Bond_Count	6
57183917	Non-hydrogen_Atom_Count	8
49866023	TPSA	41.6
46233311	Rotatable_Bond_Count	8
2435	Tautomer_Count	4
53323370	Exact_Mass	498.1113126
11231942	Hydrogen_Bond_Acceptor_Count	2
15522	Rotatable_Bond_Count	2
36303	Isotope_Atom_Count	0
250074	XLogP3-AA	1.3
11406590	Exact_Mass	388.13469677
76229	Tautomer_Count	1
31260	Molecular_Weight	88.15
83872174	Rotatable_Bond_Count	1
54496696	Non-hydrogen_Atom_Count	7
11017510	Hydrogen_Bond_Donor_Count	0
62856	Non-hydrogen_Atom_Count	9
290807	Defined_Bond_Stereo_Count	0
66879	Rotatable_Bond_Count	3
5283134	Molecular_Weight	625.8
3080548	Defined_Bond_Stereo_Count	0
14511497	Undefined_Bond_Stereo_Count	0
57057513	Mono_Isotopic_Weight	112.052429494
85763	TPSA	60.7
4427	Non-hydrogen_Atom_Count	21
7794	Mono_Isotopic_Weight	154.135765193
3002820	Defined_Atom_Stereo_Count	0
1745	Structure_Complexity	57.7
36833	Rotatable_Bond_Count	14
136146352	Covalent_Unit_Count	8
57401194	TPSA	73.5
29352	Exact_Mass	152.083729621
946	Covalent_Unit_Count	1
63952	Tautomer_Count	6
75092	XLogP3	1.5
19601937	XLogP3-AA	14.6
62351	Covalent_Unit_Count	1
22326	XLogP3-AA	1.5
118984450	Exact_Mass	5805.6443599
5284350	Isotope_Atom_Count	0
2754342	Hydrogen_Bond_Acceptor_Count	2
17739	Mono_Isotopic_Weight	166.099379685
44563178	XLogP3-AA	2.9
43233	TPSA	49.2
4829	Exact_Mass	356.11946368
57147295	Exact_Mass	100.052429494
18908	TPSA	9.2
134694981	Rotatable_Bond_Count	8
91500	Structure_Complexity	10
9930121	Defined_Bond_Stereo_Count	0
55285315	Defined_Atom_Stereo_Count	0
8350	Covalent_Unit_Count	1
854150	Defined_Bond_Stereo_Count	0
53968086	Defined_Atom_Stereo_Count	0
27967	Defined_Atom_Stereo_Count	0
42948	Rotatable_Bond_Count	1
58098237	Defined_Atom_Stereo_Count	0
11674	Hydrogen_Bond_Acceptor_Count	2
11430	Defined_Bond_Stereo_Count	0
5227	Defined_Atom_Stereo_Count	0
694638	Exact_Mass	326.12013238
10219373	Covalent_Unit_Count	1
4747	Defined_Atom_Stereo_Count	0
6533	Defined_Atom_Stereo_Count	0
12302653	Mono_Isotopic_Weight	342.11621151
28615	Defined_Atom_Stereo_Count	0
52355	Defined_Bond_Stereo_Count	0
91618345	Non-hydrogen_Atom_Count	8
71272	Exact_Mass	392.02910
3889	Structure_Complexity	958
15710945	Total_Formal_Charge	0
14753032	Hydrogen_Bond_Acceptor_Count	6
4713215	Rotatable_Bond_Count	0
11863	Undefined_Bond_Stereo_Count	0
46945256	Hydrogen_Bond_Donor_Count	3
3385	Mono_Isotopic_Weight	130.01785550
439176	Structure_Complexity	352
17014	Undefined_Atom_Stereo_Count	0
246219	Defined_Bond_Stereo_Count	0
9962735	Defined_Atom_Stereo_Count	0
31294	Isotope_Atom_Count	0
11970447	Hydrogen_Bond_Acceptor_Count	5
166606713	Defined_Atom_Stereo_Count	5
460129	Defined_Bond_Stereo_Count	0
60196293	Exact_Mass	372.1404692
641768	Defined_Bond_Stereo_Count	0
339213	Exact_Mass	314.15180918
8196	Defined_Bond_Stereo_Count	0
5504	Exact_Mass	160.100048391
57855562	Mono_Isotopic_Weight	82.078250319
23519852	Exact_Mass	366.06204624
90864	Non-hydrogen_Atom_Count	20
14723648	Isotope_Atom_Count	0
589692	Molecular_Weight	146.15
25010556	Covalent_Unit_Count	1
14017587	Rotatable_Bond_Count	9
54020983	Non-hydrogen_Atom_Count	9
5311014	Molecular_Weight	1422.7
94972	Defined_Atom_Stereo_Count	0
13235329	Molecular_Weight	94.15
122522140	Non-hydrogen_Atom_Count	12
13432441	Mono_Isotopic_Weight	103.099714038
123217479	Hydrogen_Bond_Acceptor_Count	0
81079	Molecular_Weight	138.55
46926544	Undefined_Atom_Stereo_Count	0
9574768	Total_Formal_Charge	0
59918	Defined_Bond_Stereo_Count	0
15702063	Rotatable_Bond_Count	0
10920451	Total_Formal_Charge	0
216281	Mono_Isotopic_Weight	193.110278721
85843728	Hydrogen_Bond_Donor_Count	0
65947	Mono_Isotopic_Weight	461.10568470
71773465	Non-hydrogen_Atom_Count	45
475825	Defined_Atom_Stereo_Count	3
164767	Molecular_Weight	172.00
2733525	Hydrogen_Bond_Donor_Count	4
448545	Rotatable_Bond_Count	6
23662264	Defined_Atom_Stereo_Count	0
11423566	Defined_Bond_Stereo_Count	0
33360	Hydrogen_Bond_Donor_Count	0
32343	Covalent_Unit_Count	3
1795	Undefined_Atom_Stereo_Count	0
2010	Hydrogen_Bond_Acceptor_Count	18
79303108	Undefined_Atom_Stereo_Count	0
9547700	Hydrogen_Bond_Donor_Count	1
17860889	Undefined_Atom_Stereo_Count	0
61833	Isotope_Atom_Count	0
57399438	Exact_Mass	416.31512653
5553	Rotatable_Bond_Count	21
75654	Undefined_Bond_Stereo_Count	0
5347	Exact_Mass	820.53704916
5460613	Isotope_Atom_Count	0
22648408	Mono_Isotopic_Weight	116.047344113
20209050	TPSA	46.6
9859	Mono_Isotopic_Weight	262.24720734
529333	Defined_Atom_Stereo_Count	0
6441265	Structure_Complexity	1880
27665	XLogP3	2.7
163156	Hydrogen_Bond_Donor_Count	3
54742254	Tautomer_Count	26
95259	Undefined_Bond_Stereo_Count	0
100934359	Defined_Bond_Stereo_Count	0
12639	Defined_Atom_Stereo_Count	0
54610154	Structure_Complexity	1090
69340823	Structure_Complexity	66.7
5937	TPSA	104
19073932	Molecular_Weight	114.14
65522	Molecular_Weight	163.99
154515685	Defined_Atom_Stereo_Count	0
6435782	Rotatable_Bond_Count	7
9570327	Hydrogen_Bond_Donor_Count	2
79081	Structure_Complexity	52.1
68807700	Hydrogen_Bond_Donor_Count	2
8217	Non-hydrogen_Atom_Count	18
24257	Rotatable_Bond_Count	6
12386878	Non-hydrogen_Atom_Count	6
22613925	Covalent_Unit_Count	2
46832769	Molecular_Weight	182.22
85255	Molecular_Weight	252.33
3002119	Structure_Complexity	481
84976	Hydrogen_Bond_Donor_Count	4
161973	Structure_Complexity	257
5358902	Hydrogen_Bond_Donor_Count	1
12749319	XLogP3-AA	1.7
720471	XLogP3	0
54556023	Molecular_Weight	113.16
10975412	Isotope_Atom_Count	0
4362	Non-hydrogen_Atom_Count	9
688	Isotope_Atom_Count	0
6436633	Tautomer_Count	1
32281	Undefined_Atom_Stereo_Count	3
39484	Undefined_Atom_Stereo_Count	0
11419598	Non-hydrogen_Atom_Count	31
21356	Tautomer_Count	2
54295724	Defined_Bond_Stereo_Count	0
56911	Rotatable_Bond_Count	1
55067	Isotope_Atom_Count	0
19693843	Defined_Atom_Stereo_Count	0
24530	Isotope_Atom_Count	0
2735228	Non-hydrogen_Atom_Count	8
7026090	Hydrogen_Bond_Donor_Count	0
439551	XLogP3	0.2
22274936	Defined_Bond_Stereo_Count	0
6472	Non-hydrogen_Atom_Count	21
72200631	XLogP3-AA	3.6
12049	TPSA	26
629365	Undefined_Atom_Stereo_Count	0
16211948	Total_Formal_Charge	0
71751164	Undefined_Bond_Stereo_Count	0
138195	Non-hydrogen_Atom_Count	9
332	Covalent_Unit_Count	1
11658860	Covalent_Unit_Count	1
53435160	XLogP3-AA	0.2
4274588	Rotatable_Bond_Count	1
529212	Total_Formal_Charge	0
68363	TPSA	59
77991	Tautomer_Count	1
547785	Rotatable_Bond_Count	3
136091	Defined_Bond_Stereo_Count	0
18984521	Hydrogen_Bond_Donor_Count	1
751496	Exact_Mass	334.13511374
68225733	Total_Formal_Charge	0
544596	Rotatable_Bond_Count	3
72200357	Undefined_Bond_Stereo_Count	0
71624345	XLogP3-AA	1.6
439456	Total_Formal_Charge	0
23666105	Non-hydrogen_Atom_Count	40
5897	Molecular_Weight	223.27
8823	Defined_Atom_Stereo_Count	0
4924	Exact_Mass	219.02319428
134129858	Isotope_Atom_Count	0
22475863	Non-hydrogen_Atom_Count	7
16311605	Defined_Bond_Stereo_Count	0
43116	Mono_Isotopic_Weight	851.37752882
32184	Total_Formal_Charge	0
57869404	Non-hydrogen_Atom_Count	8
69851796	Hydrogen_Bond_Acceptor_Count	3
6433082	Rotatable_Bond_Count	10
24901351	Structure_Complexity	648
62662	Mono_Isotopic_Weight	277.960618
11702	Undefined_Bond_Stereo_Count	0
78771	Total_Formal_Charge	0
6417	Exact_Mass	102.068079557
222528	Molecular_Weight	392.6
80875	Hydrogen_Bond_Donor_Count	0
2756	Exact_Mass	252.11571571
79656	Defined_Bond_Stereo_Count	0
48103	Mono_Isotopic_Weight	295.1105844
675533	Structure_Complexity	365
26041	Exact_Mass	315.931862
14417887	Defined_Atom_Stereo_Count	0
5361192	Rotatable_Bond_Count	9
37933	Structure_Complexity	414
13153908	Isotope_Atom_Count	0
220861	Hydrogen_Bond_Acceptor_Count	14
3036507	Defined_Atom_Stereo_Count	12
130659	Hydrogen_Bond_Acceptor_Count	15
136838	XLogP3-AA	3
13220194	Non-hydrogen_Atom_Count	15
2795887	Molecular_Weight	110.11
91501507	Exact_Mass	110.109550447
61453	Non-hydrogen_Atom_Count	11
66586067	Covalent_Unit_Count	2
67873	Undefined_Atom_Stereo_Count	0
52346	TPSA	66.9
60966	Hydrogen_Bond_Acceptor_Count	1
49389	Exact_Mass	273.0556563
44456	Defined_Bond_Stereo_Count	0
5351447	TPSA	124
58044734	Rotatable_Bond_Count	0
9855476	Hydrogen_Bond_Acceptor_Count	3
5266	Molecular_Weight	843.1
22028207	Non-hydrogen_Atom_Count	7
89119	Rotatable_Bond_Count	3
6905	Defined_Bond_Stereo_Count	0
36890	Exact_Mass	371.14812078
135398740	Isotope_Atom_Count	0
31246	Defined_Atom_Stereo_Count	0
162343997	Total_Formal_Charge	0
5282402	Isotope_Atom_Count	0
10962	Non-hydrogen_Atom_Count	5
6257	Defined_Atom_Stereo_Count	0
54023646	Undefined_Atom_Stereo_Count	1
20674252	Defined_Atom_Stereo_Count	0
8168	Molecular_Weight	213.40
539121	Molecular_Weight	228.33
2740171	TPSA	41.9
5351564	Tautomer_Count	1
565251	Undefined_Atom_Stereo_Count	3
26035	Defined_Bond_Stereo_Count	0
130545	Hydrogen_Bond_Acceptor_Count	4
15765799	Exact_Mass	110.036779430
12805738	Undefined_Bond_Stereo_Count	0
694634	Mono_Isotopic_Weight	270.136827821
13180180	Undefined_Atom_Stereo_Count	0
3255344	Mono_Isotopic_Weight	354.255880323
71323	Tautomer_Count	2
87428	Non-hydrogen_Atom_Count	15
693241	Defined_Bond_Stereo_Count	0
123359989	Molecular_Weight	114.10
81445	Isotope_Atom_Count	0
57391205	Hydrogen_Bond_Donor_Count	2
3852430	Mono_Isotopic_Weight	509.7086
121313292	TPSA	9.2
123690360	Total_Formal_Charge	0
5481350	Isotope_Atom_Count	0
9732	Covalent_Unit_Count	1
13327	Isotope_Atom_Count	0
5280878	Mono_Isotopic_Weight	496.26070817
551174	Undefined_Atom_Stereo_Count	0
656665	Undefined_Atom_Stereo_Count	0
87401	Defined_Bond_Stereo_Count	0
13932051	Molecular_Weight	128.17
9690	Isotope_Atom_Count	0
11527282	Exact_Mass	604.25981710
610	TPSA	127
11001426	Structure_Complexity	320
5364553	Molecular_Weight	294.6
135566433	Structure_Complexity	557
17103	Undefined_Bond_Stereo_Count	0
89921642	Isotope_Atom_Count	0
4872633	Isotope_Atom_Count	0
100472	Undefined_Atom_Stereo_Count	0
74615	Non-hydrogen_Atom_Count	7
127995	Tautomer_Count	1
95848	Rotatable_Bond_Count	7
101254454	Defined_Atom_Stereo_Count	0
100959353	TPSA	104
71812105	Exact_Mass	291.18344366
84148	Structure_Complexity	86.5
6914152	Molecular_Weight	448.4
7955	Undefined_Atom_Stereo_Count	0
2641	Non-hydrogen_Atom_Count	45
135398678	Rotatable_Bond_Count	0
82751	Isotope_Atom_Count	0
40520	TPSA	46.6
25960	Tautomer_Count	1
7762	XLogP3-AA	1.3
593919	Defined_Atom_Stereo_Count	0
87868	Total_Formal_Charge	0
25020797	TPSA	76.4
8073	Non-hydrogen_Atom_Count	6
135749823	Exact_Mass	680.24757729
92974077	Hydrogen_Bond_Acceptor_Count	3
10482134	XLogP3-AA	6.7
31472	Rotatable_Bond_Count	13
5482	Hydrogen_Bond_Donor_Count	0
44407	Exact_Mass	345.03644
58221870	Isotope_Atom_Count	0
23405789	Exact_Mass	480.1775624
15741339	Hydrogen_Bond_Acceptor_Count	1
16719897	Mono_Isotopic_Weight	207.06226
88257494	Defined_Atom_Stereo_Count	0
8199	Defined_Atom_Stereo_Count	0
32065	Defined_Atom_Stereo_Count	0
100915014	Isotope_Atom_Count	0
614100	Mono_Isotopic_Weight	254.130679813
112711235	Structure_Complexity	77.7
9082	Isotope_Atom_Count	0
5573	Undefined_Bond_Stereo_Count	0
71755913	TPSA	53.2
11254	Hydrogen_Bond_Donor_Count	0
14954	TPSA	55.4
10024	Mono_Isotopic_Weight	104.083729621
27124	Exact_Mass	318.136827821
15731	Mono_Isotopic_Weight	186.068079557
20326	Rotatable_Bond_Count	6
21792545	Hydrogen_Bond_Acceptor_Count	4
14895	Exact_Mass	430.02530576
14416612	Non-hydrogen_Atom_Count	8
5320868	Mono_Isotopic_Weight	324.183778013
5870	Undefined_Bond_Stereo_Count	0
61109	Tautomer_Count	1
18719616	Mono_Isotopic_Weight	97.016378338
8160	Hydrogen_Bond_Acceptor_Count	3
20054964	Undefined_Atom_Stereo_Count	1
137261994	Undefined_Atom_Stereo_Count	0
16064	Hydrogen_Bond_Acceptor_Count	3
44151464	Non-hydrogen_Atom_Count	16
73950789	Defined_Bond_Stereo_Count	0
51030054	Covalent_Unit_Count	1
16135415	Hydrogen_Bond_Acceptor_Count	46
78896	Covalent_Unit_Count	1
10340798	Undefined_Atom_Stereo_Count	0
12749134	Undefined_Bond_Stereo_Count	0
882533	Undefined_Bond_Stereo_Count	0
93186	Mono_Isotopic_Weight	154.135765193
6918485	Tautomer_Count	2
36606	Total_Formal_Charge	0
54169147	Non-hydrogen_Atom_Count	8
5250834	Mono_Isotopic_Weight	150.128274515
139465606	Undefined_Atom_Stereo_Count	0
59768	Isotope_Atom_Count	0
72064	Total_Formal_Charge	0
22598190	Hydrogen_Bond_Acceptor_Count	0
65258	Undefined_Atom_Stereo_Count	0
9548819	Non-hydrogen_Atom_Count	6
720	Defined_Bond_Stereo_Count	0
145721395	Exact_Mass	839.18163
92765	TPSA	30.9
129812487	Defined_Bond_Stereo_Count	0
5497174	Total_Formal_Charge	0
71308903	XLogP3	2.1
129859073	XLogP3-AA	2.9
71949	Molecular_Weight	461.8
72200226	Covalent_Unit_Count	1
216293	Molecular_Weight	812.4
148184759	TPSA	21.9
8061	XLogP3	1.1
76092	Undefined_Bond_Stereo_Count	0
141411141	Rotatable_Bond_Count	0
44338774	XLogP3-AA	3.2
4627807	Defined_Atom_Stereo_Count	0
8194	Covalent_Unit_Count	1
91731	Undefined_Atom_Stereo_Count	0
6992041	TPSA	160
10337564	Molecular_Weight	344.4
42608159	Hydrogen_Bond_Acceptor_Count	0
3730	Undefined_Atom_Stereo_Count	3
5289382	Defined_Atom_Stereo_Count	8
60688467	Defined_Atom_Stereo_Count	0
99378	TPSA	29.5
9812645	Tautomer_Count	1001
21702858	Molecular_Weight	114.14
12358373	XLogP3-AA	0.9
261668	Hydrogen_Bond_Donor_Count	0
13639661	Structure_Complexity	110
25087171	Defined_Bond_Stereo_Count	0
20333380	Total_Formal_Charge	0
57164040	TPSA	210
688803	Undefined_Bond_Stereo_Count	0
129652530	Non-hydrogen_Atom_Count	25
164575	Undefined_Bond_Stereo_Count	0
23393	Tautomer_Count	1
76748	Structure_Complexity	105
24765256	Structure_Complexity	1550
67247924	Molecular_Weight	112.13
573592	Undefined_Bond_Stereo_Count	0
37114	Hydrogen_Bond_Acceptor_Count	3
68321730	Structure_Complexity	657
12270637	Hydrogen_Bond_Acceptor_Count	2
117439	Exact_Mass	281.12632271
21302490	XLogP3-AA	3.8
558102	Total_Formal_Charge	0
182585	Covalent_Unit_Count	1
74	Defined_Bond_Stereo_Count	0
688691	XLogP3-AA	2
2272	TPSA	24.7
10241280	Structure_Complexity	222
2578	Rotatable_Bond_Count	4
10246505	Undefined_Bond_Stereo_Count	0
5284551	Isotope_Atom_Count	0
5282182	Rotatable_Bond_Count	15
18048	Undefined_Atom_Stereo_Count	0
65513	Molecular_Weight	307.14
71777654	Structure_Complexity	151
130055354	Undefined_Bond_Stereo_Count	0
35405	Defined_Atom_Stereo_Count	0
81466	Structure_Complexity	129
361762	Structure_Complexity	128
97127	Hydrogen_Bond_Donor_Count	0
750284	Undefined_Atom_Stereo_Count	0
11326613	Defined_Atom_Stereo_Count	0
20347	Rotatable_Bond_Count	3
12309460	Molecular_Weight	406.9
194774	Defined_Atom_Stereo_Count	0
108938	Total_Formal_Charge	0
2209	Defined_Atom_Stereo_Count	0
71113	Hydrogen_Bond_Donor_Count	1
66541	Hydrogen_Bond_Acceptor_Count	3
68751	Hydrogen_Bond_Donor_Count	1
79267	Covalent_Unit_Count	1
69333573	TPSA	42.6
16129809	TPSA	478
45609	Molecular_Weight	1161.9
135565471	TPSA	297
29801	Tautomer_Count	2
23521592	Exact_Mass	106.053098200
118121642	Hydrogen_Bond_Acceptor_Count	2
11962616	Exact_Mass	460.21736377
96796	Molecular_Weight	160.17
162944617	Exact_Mass	904.44565070
21894763	Defined_Atom_Stereo_Count	0
72200038	Isotope_Atom_Count	0
14643618	Molecular_Weight	114.14
68321895	Undefined_Bond_Stereo_Count	0
19540	Hydrogen_Bond_Donor_Count	0
59296111	Rotatable_Bond_Count	7
20701649	Undefined_Atom_Stereo_Count	1
14146220	Isotope_Atom_Count	0
77022	Mono_Isotopic_Weight	193.93410
67614074	Rotatable_Bond_Count	1
117563748	Exact_Mass	98.048012819
2156	Hydrogen_Bond_Donor_Count	1
12431565	Undefined_Atom_Stereo_Count	1
21859	Hydrogen_Bond_Donor_Count	1
41466	Defined_Atom_Stereo_Count	0
44560703	Hydrogen_Bond_Donor_Count	2
32698	Undefined_Bond_Stereo_Count	0
9113	Total_Formal_Charge	0
44144429	Undefined_Bond_Stereo_Count	0
92722	Hydrogen_Bond_Donor_Count	5
5351247	Molecular_Weight	492.1
53704432	Exact_Mass	116.083729621
1141	Tautomer_Count	1
21576	Undefined_Atom_Stereo_Count	0
5257187	Structure_Complexity	304
5363548	Undefined_Bond_Stereo_Count	0
5352728	Total_Formal_Charge	0
20387203	Rotatable_Bond_Count	4
134820051	Undefined_Bond_Stereo_Count	0
9024	Mono_Isotopic_Weight	192.115029749
4132	Undefined_Atom_Stereo_Count	5
11084068	TPSA	20.2
8461	Covalent_Unit_Count	1
88402732	Total_Formal_Charge	0
49865918	Defined_Atom_Stereo_Count	2
66569	Covalent_Unit_Count	1
124085867	Undefined_Atom_Stereo_Count	0
54745	Hydrogen_Bond_Acceptor_Count	6
5876	Total_Formal_Charge	0
4583824	Undefined_Atom_Stereo_Count	0
23976	Isotope_Atom_Count	0
38875	Undefined_Atom_Stereo_Count	0
46841499	Undefined_Bond_Stereo_Count	0
89248	Non-hydrogen_Atom_Count	23
70789197	Total_Formal_Charge	0
3457331	Undefined_Bond_Stereo_Count	0
5384411	Undefined_Bond_Stereo_Count	0
56625	Covalent_Unit_Count	1
145721938	Mono_Isotopic_Weight	589.14023
70034488	Defined_Bond_Stereo_Count	0
54111851	Defined_Atom_Stereo_Count	0
11927	Total_Formal_Charge	0
2794833	Covalent_Unit_Count	1
13036911	Isotope_Atom_Count	0
86435	Undefined_Bond_Stereo_Count	0
5200320	Structure_Complexity	56
34852	Tautomer_Count	2
15529	Defined_Bond_Stereo_Count	0
2779024	Defined_Bond_Stereo_Count	0
54705095	Hydrogen_Bond_Acceptor_Count	11
15533	Exact_Mass	402.96055
16139605	Defined_Atom_Stereo_Count	38
294864	Exact_Mass	104.047344113
519239	Tautomer_Count	1
13658862	Total_Formal_Charge	0
150257	Exact_Mass	267.06776246
10909508	Undefined_Bond_Stereo_Count	0
10197702	Non-hydrogen_Atom_Count	10
354785	XLogP3	0.2
3567443	Structure_Complexity	305
13081559	Hydrogen_Bond_Acceptor_Count	2
88703	Undefined_Atom_Stereo_Count	0
6896	Undefined_Bond_Stereo_Count	0
2303651	Undefined_Bond_Stereo_Count	0
667490	Undefined_Bond_Stereo_Count	0
76380	Exact_Mass	350.15180918
57224326	Isotope_Atom_Count	0
135565082	Defined_Atom_Stereo_Count	2
54738	Undefined_Bond_Stereo_Count	0
24972774	Molecular_Weight	111.14
5451	TPSA	327
20132002	Molecular_Weight	82.10
39976	XLogP3-AA	4.6
72200110	Covalent_Unit_Count	1
30137	Undefined_Bond_Stereo_Count	0
138694	Defined_Bond_Stereo_Count	0
9830317	Defined_Atom_Stereo_Count	2
13199217	Non-hydrogen_Atom_Count	8
9933415	Isotope_Atom_Count	0
59693872	Defined_Atom_Stereo_Count	0
7371	TPSA	62.8
138961	Covalent_Unit_Count	1
119438	Covalent_Unit_Count	1
8017	Non-hydrogen_Atom_Count	5
87784	Tautomer_Count	1
17933153	Rotatable_Bond_Count	4
8259	Mono_Isotopic_Weight	147.924948
12288423	Hydrogen_Bond_Acceptor_Count	1
66615626	Defined_Bond_Stereo_Count	0
54545615	Exact_Mass	98.073164938
17581	Defined_Atom_Stereo_Count	0
11815817	Undefined_Atom_Stereo_Count	0
10972	Tautomer_Count	3
119361	Molecular_Weight	312.2
57341	XLogP3-AA	4.8
31416	TPSA	58.2
447661	Defined_Bond_Stereo_Count	0
69141	Undefined_Atom_Stereo_Count	0
147569	Covalent_Unit_Count	1
57387	XLogP3-AA	2
21983433	Covalent_Unit_Count	3
4912932	XLogP3-AA	0.2
91886115	Hydrogen_Bond_Acceptor_Count	5
12642439	Tautomer_Count	1
54120934	Isotope_Atom_Count	0
98416	Defined_Bond_Stereo_Count	0
74904	Total_Formal_Charge	0
57992215	Covalent_Unit_Count	1
866077	Defined_Atom_Stereo_Count	0
6421522	Total_Formal_Charge	0
9274	Mono_Isotopic_Weight	185.99380893
73961	Tautomer_Count	1
58463204	Undefined_Atom_Stereo_Count	2
65837	Tautomer_Count	4
219104	Hydrogen_Bond_Donor_Count	1
72521	Isotope_Atom_Count	0
31260	Hydrogen_Bond_Donor_Count	1
246206	Non-hydrogen_Atom_Count	21
10930781	Mono_Isotopic_Weight	790.22615588
11355464	Undefined_Atom_Stereo_Count	1
135705228	Non-hydrogen_Atom_Count	36
3045335	Defined_Atom_Stereo_Count	0
441082	Isotope_Atom_Count	0
12200	Molecular_Weight	182.09
119084740	Undefined_Atom_Stereo_Count	0
43082	Molecular_Weight	357.9
132549482	XLogP3-AA	9
11542775	Defined_Atom_Stereo_Count	0
20055082	Structure_Complexity	1230
65055	Isotope_Atom_Count	0
20055121	Covalent_Unit_Count	1
135457035	Undefined_Bond_Stereo_Count	0
5702011	Exact_Mass	405.16099414
24812721	Structure_Complexity	583
398646	Exact_Mass	226.21574685
589116	Hydrogen_Bond_Acceptor_Count	3
24848345	Undefined_Atom_Stereo_Count	2
636	Exact_Mass	251.10183929
13218140	Total_Formal_Charge	0
2300	TPSA	51.1
5464084	Total_Formal_Charge	0
54759	Covalent_Unit_Count	2
10591878	TPSA	49.8
72494242	Covalent_Unit_Count	1
18769554	Undefined_Bond_Stereo_Count	0
139070837	Non-hydrogen_Atom_Count	24
13698	Isotope_Atom_Count	0
3801	Total_Formal_Charge	1
62479	Molecular_Weight	390.44
407175	Covalent_Unit_Count	1
1707	Defined_Atom_Stereo_Count	0
125	Hydrogen_Bond_Donor_Count	2
88423	Exact_Mass	163.110947427
445319	Exact_Mass	118.05646950
4350929	Tautomer_Count	1
13618050	XLogP3-AA	0.5
69413	Non-hydrogen_Atom_Count	7
7191	Defined_Atom_Stereo_Count	0
23394557	Undefined_Bond_Stereo_Count	0
7495	TPSA	55
2321753	Undefined_Atom_Stereo_Count	0
29761	Defined_Atom_Stereo_Count	0
135177116	Covalent_Unit_Count	1
130122746	TPSA	29.5
49857672	XLogP3-AA	3
6924	Hydrogen_Bond_Acceptor_Count	3
56841556	Structure_Complexity	1890
5816	Undefined_Bond_Stereo_Count	0
9907093	Structure_Complexity	710
10975431	Rotatable_Bond_Count	1
319664	Undefined_Bond_Stereo_Count	0
71583603	Total_Formal_Charge	0
285657	Mono_Isotopic_Weight	112.03851076
25094903	Hydrogen_Bond_Donor_Count	3
19911136	Undefined_Bond_Stereo_Count	0
72213403	Rotatable_Bond_Count	0
18381089	Undefined_Bond_Stereo_Count	0
81415695	Structure_Complexity	107
23675947	Non-hydrogen_Atom_Count	25
1086	Undefined_Bond_Stereo_Count	0
64054	Defined_Bond_Stereo_Count	0
72015	Undefined_Atom_Stereo_Count	0
92588	Mono_Isotopic_Weight	110.073164938
36312	Undefined_Bond_Stereo_Count	0
5282321	Defined_Atom_Stereo_Count	8
40466858	Molecular_Weight	348.4
30959	Defined_Atom_Stereo_Count	0
87323	Defined_Bond_Stereo_Count	0
139375	Defined_Atom_Stereo_Count	0
542381	Hydrogen_Bond_Donor_Count	1
493082	Covalent_Unit_Count	1
90722224	Covalent_Unit_Count	1
101914	Exact_Mass	131.94250
56859	XLogP3-AA	2.9
93550	Molecular_Weight	273.28
58247682	Covalent_Unit_Count	1
12681848	Isotope_Atom_Count	0
7761	Undefined_Bond_Stereo_Count	0
100156	Molecular_Weight	346.29
57369982	Hydrogen_Bond_Acceptor_Count	7
10887879	Total_Formal_Charge	0
146159199	Defined_Atom_Stereo_Count	3
108092	Rotatable_Bond_Count	8
25015556	Total_Formal_Charge	0
339079	Non-hydrogen_Atom_Count	16
21702812	Hydrogen_Bond_Acceptor_Count	1
56520	Molecular_Weight	253.34
447626	Hydrogen_Bond_Acceptor_Count	1
135450598	Molecular_Weight	537.21
540	Covalent_Unit_Count	1
6030	Molecular_Weight	324.18
605877	Non-hydrogen_Atom_Count	19
12375523	Molecular_Weight	100.16
14294229	Undefined_Bond_Stereo_Count	0
76921	Non-hydrogen_Atom_Count	12
5282468	Isotope_Atom_Count	0
93538	Tautomer_Count	1
87724106	Defined_Bond_Stereo_Count	0
22753620	Exact_Mass	108.068748264
138991760	Rotatable_Bond_Count	9
57265913	TPSA	17.1
10809678	Isotope_Atom_Count	0
68953	Rotatable_Bond_Count	1
102488279	Hydrogen_Bond_Donor_Count	0
102069	Defined_Bond_Stereo_Count	0
59471599	Isotope_Atom_Count	0
159269	Defined_Atom_Stereo_Count	3
19847	Molecular_Weight	283.2
42510	Mono_Isotopic_Weight	293.189197746
32681	Defined_Atom_Stereo_Count	6
14410	Undefined_Bond_Stereo_Count	0
6433951	Undefined_Atom_Stereo_Count	0
28788	Undefined_Atom_Stereo_Count	0
647893	Structure_Complexity	541
21784	Covalent_Unit_Count	3
5281104	TPSA	60.7
14577084	Total_Formal_Charge	0
45117185	Non-hydrogen_Atom_Count	15
131110184	Defined_Atom_Stereo_Count	0
25076512	Defined_Bond_Stereo_Count	0
7311724	TPSA	67.8
131872	Isotope_Atom_Count	0
676157	Tautomer_Count	11
21635253	Undefined_Atom_Stereo_Count	2
43515	Non-hydrogen_Atom_Count	24
20055294	Structure_Complexity	1330
3254	Isotope_Atom_Count	0
17841212	Hydrogen_Bond_Acceptor_Count	3
68056645	XLogP3-AA	1.3
5107724	Structure_Complexity	206
491941	Rotatable_Bond_Count	5
521998	Structure_Complexity	206
4578	Rotatable_Bond_Count	3
135564655	Undefined_Atom_Stereo_Count	0
1800393	Undefined_Atom_Stereo_Count	0
2775	Rotatable_Bond_Count	2
668508	Rotatable_Bond_Count	4
33294	TPSA	60.8
12213229	Structure_Complexity	238
135554441	Rotatable_Bond_Count	6
54255838	Molecular_Weight	116.11
20055283	Structure_Complexity	1780
44442053	Hydrogen_Bond_Donor_Count	2
674	Exact_Mass	45.057849228
19919	Mono_Isotopic_Weight	102.068079557
5777	Hydrogen_Bond_Donor_Count	0
76736	TPSA	0
3000926	Exact_Mass	335.0746777
14221107	Undefined_Atom_Stereo_Count	0
46783224	Undefined_Atom_Stereo_Count	4
3173542	Undefined_Bond_Stereo_Count	0
71072118	Undefined_Atom_Stereo_Count	0
405741	Undefined_Atom_Stereo_Count	1
835411	Non-hydrogen_Atom_Count	21
22902239	Hydrogen_Bond_Acceptor_Count	2
5319422	Undefined_Bond_Stereo_Count	0
136444	Exact_Mass	102.068079557
28425	Molecular_Weight	249.3
4066245	Structure_Complexity	380
10540046	Non-hydrogen_Atom_Count	19
91400094	Hydrogen_Bond_Acceptor_Count	3
556487	Isotope_Atom_Count	0
22238529	Covalent_Unit_Count	1
11105318	Undefined_Bond_Stereo_Count	0
984170	Rotatable_Bond_Count	3
57448758	Non-hydrogen_Atom_Count	46
3118	Undefined_Atom_Stereo_Count	0
70689446	Exact_Mass	396.19098865
123448160	Isotope_Atom_Count	0
347477	XLogP3-AA	0.9
18730079	Undefined_Bond_Stereo_Count	0
21984	Rotatable_Bond_Count	7
139086956	Defined_Bond_Stereo_Count	0
153400963	Structure_Complexity	92.4
16741878	Isotope_Atom_Count	0
19775133	Defined_Atom_Stereo_Count	0
2147	Rotatable_Bond_Count	0
8491	Tautomer_Count	1
6440877	Isotope_Atom_Count	0
27991	Tautomer_Count	1001
137724	Tautomer_Count	1
23680486	Hydrogen_Bond_Acceptor_Count	5
6843	Molecular_Weight	294.39
9094	Mono_Isotopic_Weight	158.07653624
20484	Defined_Bond_Stereo_Count	0
71985	Total_Formal_Charge	0
69158971	Hydrogen_Bond_Acceptor_Count	3
698364	Undefined_Bond_Stereo_Count	0
4722579	XLogP3-AA	3
135491830	Mono_Isotopic_Weight	327.18681496
134860471	Mono_Isotopic_Weight	180.06338810
32797	Mono_Isotopic_Weight	410.1660152
5372405	Covalent_Unit_Count	1
134820051	Defined_Atom_Stereo_Count	0
123334	Isotope_Atom_Count	0
229932	Mono_Isotopic_Weight	96.032362755
8906	Structure_Complexity	221
5284439	Defined_Atom_Stereo_Count	0
7077	TPSA	12.5
8556	Non-hydrogen_Atom_Count	21
21047	Isotope_Atom_Count	0
15953353	Structure_Complexity	615
31420	Undefined_Bond_Stereo_Count	0
25271781	Undefined_Atom_Stereo_Count	0
70684298	TPSA	69
12318317	Hydrogen_Bond_Acceptor_Count	1
441244	Mono_Isotopic_Weight	355.94971
21975	Covalent_Unit_Count	4
137268	Defined_Bond_Stereo_Count	0
16052015	Defined_Atom_Stereo_Count	8
65013	Undefined_Bond_Stereo_Count	0
89149682	Non-hydrogen_Atom_Count	7
21864369	Tautomer_Count	970
9547222	Exact_Mass	270.161979940
16737690	Hydrogen_Bond_Acceptor_Count	12
71590622	Undefined_Atom_Stereo_Count	1
249494	Isotope_Atom_Count	0
95961	Hydrogen_Bond_Donor_Count	1
54675757	Undefined_Atom_Stereo_Count	0
89374436	Rotatable_Bond_Count	0
153835411	Isotope_Atom_Count	0
16911	Total_Formal_Charge	0
88598	Isotope_Atom_Count	0
7294	Mono_Isotopic_Weight	86.036779430
7401	TPSA	51.8
5289159	Undefined_Bond_Stereo_Count	0
486	Structure_Complexity	198
5280933	Mono_Isotopic_Weight	278.224580195
956	Rotatable_Bond_Count	25
10379	Hydrogen_Bond_Acceptor_Count	3
2019	Undefined_Bond_Stereo_Count	0
54125476	Rotatable_Bond_Count	4
3047830	Defined_Atom_Stereo_Count	0
21450	Hydrogen_Bond_Acceptor_Count	3
6437842	Covalent_Unit_Count	1
57399614	TPSA	105
12002494	Hydrogen_Bond_Donor_Count	1
54758585	Hydrogen_Bond_Donor_Count	5
24200857	Undefined_Atom_Stereo_Count	0
435360	Hydrogen_Bond_Acceptor_Count	7
3129049	Undefined_Bond_Stereo_Count	0
133090	Defined_Bond_Stereo_Count	0
16760207	Structure_Complexity	361
20547	Rotatable_Bond_Count	2
59648875	Total_Formal_Charge	0
139194774	Non-hydrogen_Atom_Count	8
4489	Structure_Complexity	1230
68129	Total_Formal_Charge	0
22645860	TPSA	38.1
88266	Defined_Atom_Stereo_Count	0
6624	Non-hydrogen_Atom_Count	17
6321422	Structure_Complexity	643
24774912	Undefined_Bond_Stereo_Count	0
119093923	Structure_Complexity	131
23647685	TPSA	186
50925625	Undefined_Bond_Stereo_Count	0
22006231	Defined_Bond_Stereo_Count	0
43833377	Non-hydrogen_Atom_Count	37
5283134	Tautomer_Count	4
10909499	Hydrogen_Bond_Acceptor_Count	2
8365	Defined_Atom_Stereo_Count	0
165339	Isotope_Atom_Count	0
105	Hydrogen_Bond_Acceptor_Count	7
229075	Molecular_Weight	110.12
5328	Defined_Atom_Stereo_Count	0
63104	Undefined_Bond_Stereo_Count	0
70359	Rotatable_Bond_Count	3
12648201	Covalent_Unit_Count	1
15001198	Undefined_Bond_Stereo_Count	0
12939	Undefined_Bond_Stereo_Count	0
14523561	Rotatable_Bond_Count	9
6436031	Undefined_Bond_Stereo_Count	0
11656753	Defined_Atom_Stereo_Count	0
12702016	Rotatable_Bond_Count	2
117326	Exact_Mass	103.099714038
70696864	Undefined_Bond_Stereo_Count	0
455658	Non-hydrogen_Atom_Count	44
76714	TPSA	52
17132	Isotope_Atom_Count	0
10459649	Structure_Complexity	957
3595	Non-hydrogen_Atom_Count	27
77912	TPSA	83
138510	Total_Formal_Charge	0
736530	Hydrogen_Bond_Acceptor_Count	2
5273569	TPSA	76
58180	Tautomer_Count	1
12524130	Mono_Isotopic_Weight	110.073164938
5316860	Molecular_Weight	372.4
39424	Covalent_Unit_Count	2
241027	Structure_Complexity	130
89723675	Covalent_Unit_Count	1
17764882	Molecular_Weight	116.12
59901542	Exact_Mass	19.0458011230
10646616	Mono_Isotopic_Weight	436.02047
18738120	Tautomer_Count	2
7854	Isotope_Atom_Count	0
25051993	Rotatable_Bond_Count	6
132846	TPSA	21.3
9064	Hydrogen_Bond_Acceptor_Count	6
6918638	TPSA	104
49869312	Total_Formal_Charge	0
6443795	TPSA	230
6478	Molecular_Weight	272.8
3000668	Molecular_Weight	305.4
70884982	Total_Formal_Charge	0
22068766	TPSA	74.5
54372438	Isotope_Atom_Count	0
5062223	Defined_Atom_Stereo_Count	0
16498	Non-hydrogen_Atom_Count	11
26360	Isotope_Atom_Count	0
15932798	Structure_Complexity	101
68469	XLogP3	2.5
57992175	Exact_Mass	417.22770851
69014	Defined_Bond_Stereo_Count	0
86767860	Isotope_Atom_Count	0
16678045	TPSA	112
5299	Defined_Atom_Stereo_Count	0
60196293	Total_Formal_Charge	0
53317813	Hydrogen_Bond_Acceptor_Count	7
19422150	Undefined_Atom_Stereo_Count	1
12755803	TPSA	9.2
65999	Covalent_Unit_Count	1
25001002	Undefined_Atom_Stereo_Count	0
101	Isotope_Atom_Count	0
6440178	Covalent_Unit_Count	1
10898675	Exact_Mass	112.052429494
750190	Defined_Bond_Stereo_Count	0
91599894	Defined_Atom_Stereo_Count	0
17424	Defined_Atom_Stereo_Count	0
79437	Defined_Atom_Stereo_Count	0
18327244	Molecular_Weight	287.4
59022	Hydrogen_Bond_Acceptor_Count	2
3082532	Undefined_Atom_Stereo_Count	2
18710462	Isotope_Atom_Count	0
16130199	Mono_Isotopic_Weight	4489.1866445
93186	Structure_Complexity	136
3017	Hydrogen_Bond_Acceptor_Count	6
6240	Covalent_Unit_Count	2
135398646	Isotope_Atom_Count	0
16274	Mono_Isotopic_Weight	353.0270760
10909515	Rotatable_Bond_Count	1
448400	Molecular_Weight	248.11
11988286	Defined_Bond_Stereo_Count	0
9865442	Exact_Mass	394.1547017
11542775	Hydrogen_Bond_Acceptor_Count	2
134826475	Structure_Complexity	809
91168430	TPSA	38.6
141276996	Total_Formal_Charge	0
70693142	Defined_Atom_Stereo_Count	0
4264	Undefined_Atom_Stereo_Count	8
257	Exact_Mass	711.43226354
12773795	Hydrogen_Bond_Donor_Count	0
12957	Defined_Bond_Stereo_Count	0
101602	Total_Formal_Charge	0
53943526	Mono_Isotopic_Weight	99.032028402
2725002	Defined_Bond_Stereo_Count	0
18698713	Molecular_Weight	100.12
10439034	Mono_Isotopic_Weight	632.26332572
136437	Total_Formal_Charge	0
80365	Defined_Bond_Stereo_Count	0
13698	Exact_Mass	193.089149355
9912	Structure_Complexity	548
77050446	Defined_Atom_Stereo_Count	0
5311108	Undefined_Atom_Stereo_Count	0
40697	XLogP3-AA	4.5
131414	Mono_Isotopic_Weight	218.094294304
33778657	Hydrogen_Bond_Acceptor_Count	4
73820465	Undefined_Atom_Stereo_Count	7
20087	Isotope_Atom_Count	0
135019886	Exact_Mass	342.11621151
60396	Rotatable_Bond_Count	2
138322	Structure_Complexity	154
87064	Mono_Isotopic_Weight	195.162314293
6420022	Defined_Atom_Stereo_Count	0
3371	Hydrogen_Bond_Donor_Count	2
2528	Exact_Mass	627.7853
11636795	Undefined_Bond_Stereo_Count	0
22450295	Covalent_Unit_Count	1
139920	Defined_Atom_Stereo_Count	0
53778	Hydrogen_Bond_Acceptor_Count	4
133832	Molecular_Weight	377.5
815404	Isotope_Atom_Count	0
13521834	Hydrogen_Bond_Acceptor_Count	1
20583864	Defined_Atom_Stereo_Count	0
135403646	Defined_Atom_Stereo_Count	0
10184774	TPSA	116
45120378	XLogP3-AA	1.1
131057	Defined_Bond_Stereo_Count	0
492976	XLogP3-AA	1.9
76739	Isotope_Atom_Count	0
1976	Molecular_Weight	643.6
640	Non-hydrogen_Atom_Count	16
6641	Exact_Mass	270.161979940
668390	Defined_Atom_Stereo_Count	0
3343	Structure_Complexity	310
49868115	Mono_Isotopic_Weight	233.800115
53384934	Rotatable_Bond_Count	3
55397	Total_Formal_Charge	0
51971	Mono_Isotopic_Weight	284.131348519
15806	Covalent_Unit_Count	1
6539985	Isotope_Atom_Count	0
3081185	Undefined_Atom_Stereo_Count	0
62341	Molecular_Weight	164.20
139030973	Defined_Bond_Stereo_Count	0
12023383	Exact_Mass	102.068079557
129009964	Isotope_Atom_Count	0
16002	Defined_Bond_Stereo_Count	0
14503	Structure_Complexity	165
10017965	TPSA	62.3
23665410	Defined_Bond_Stereo_Count	0
2846	Non-hydrogen_Atom_Count	48
71463826	TPSA	60.7
18102	Rotatable_Bond_Count	1
143694905	Defined_Atom_Stereo_Count	0
47547	TPSA	62.7
445258	Covalent_Unit_Count	1
11611402	Undefined_Atom_Stereo_Count	1
33514	Defined_Bond_Stereo_Count	0
84003	Undefined_Bond_Stereo_Count	0
1803	Molecular_Weight	243.22
21389388	TPSA	38.3
948323	Defined_Bond_Stereo_Count	0
13871872	Undefined_Bond_Stereo_Count	0
54740	Structure_Complexity	475
23603	Molecular_Weight	237.30
72929	Exact_Mass	136.063662883
11293	TPSA	75.9
80037	Covalent_Unit_Count	1
85989631	Hydrogen_Bond_Donor_Count	0
54367722	Hydrogen_Bond_Acceptor_Count	2
9877746	Total_Formal_Charge	0
72149	Hydrogen_Bond_Acceptor_Count	5
64032	Total_Formal_Charge	0
86742405	Total_Formal_Charge	0
53846424	TPSA	60.7
9331	Hydrogen_Bond_Acceptor_Count	4
87599626	Hydrogen_Bond_Acceptor_Count	4
71377454	Defined_Bond_Stereo_Count	0
10937610	Total_Formal_Charge	0
181976	Rotatable_Bond_Count	4
133109198	Structure_Complexity	1150
440995	TPSA	190
16734	Tautomer_Count	1
502272	Tautomer_Count	4
54369	Covalent_Unit_Count	1
74348	Non-hydrogen_Atom_Count	9
47703	Molecular_Weight	284.4
6439276	Exact_Mass	546.22134529
664136	Defined_Bond_Stereo_Count	0
12285892	Exact_Mass	182.07594159
162642814	Undefined_Bond_Stereo_Count	0
765378	Structure_Complexity	154
177	TPSA	17.1
1549018	Mono_Isotopic_Weight	164.120115130
3221	Undefined_Atom_Stereo_Count	0
19010321	Undefined_Atom_Stereo_Count	0
115011059	Total_Formal_Charge	0
53978983	Exact_Mass	114.068079557
133621	Isotope_Atom_Count	0
832	Defined_Bond_Stereo_Count	0
1890	TPSA	46.5
124426477	Undefined_Bond_Stereo_Count	0
5308	Exact_Mass	272.0716407
2071	Molecular_Weight	221.21
71681010	Undefined_Bond_Stereo_Count	0
11633904	Exact_Mass	456.21614077
108007	Exact_Mass	619.175549
3462	Defined_Atom_Stereo_Count	0
13033202	Rotatable_Bond_Count	0
87359450	TPSA	30.9
4038	Tautomer_Count	4
60834	Molecular_Weight	333.9
522549	Undefined_Atom_Stereo_Count	2
122706529	Defined_Bond_Stereo_Count	0
6165177	XLogP3	1.7
87409	Undefined_Bond_Stereo_Count	0
188583	Covalent_Unit_Count	1
6913	Exact_Mass	135.104799419
59295958	Rotatable_Bond_Count	7
25201603	Undefined_Bond_Stereo_Count	0
124069	Total_Formal_Charge	0
13647	Rotatable_Bond_Count	1
96807	Structure_Complexity	417
85539715	Covalent_Unit_Count	1
59561	XLogP3-AA	2.6
65258	Isotope_Atom_Count	0
89053264	TPSA	26
409548	Total_Formal_Charge	0
4684505	Mono_Isotopic_Weight	338.08668395
46078	Hydrogen_Bond_Donor_Count	1
446	XLogP3-AA	2.2
234105	Structure_Complexity	724
16219676	Tautomer_Count	6
83556	Total_Formal_Charge	0
12443800	Hydrogen_Bond_Acceptor_Count	2
87605	Molecular_Weight	116.20
92153	Rotatable_Bond_Count	22
3605	Defined_Atom_Stereo_Count	0
444913	Covalent_Unit_Count	1
5375	TPSA	171
139585852	TPSA	60.9
23684896	Molecular_Weight	161.16
44755151	Exact_Mass	368.01339457
148557	Non-hydrogen_Atom_Count	8
5280440	Defined_Bond_Stereo_Count	2
23706211	Defined_Bond_Stereo_Count	0
157787142	Hydrogen_Bond_Acceptor_Count	3
129709955	Defined_Atom_Stereo_Count	0
11001318	Exact_Mass	306.9802985
587348	Defined_Atom_Stereo_Count	0
10203245	Hydrogen_Bond_Acceptor_Count	9
12820525	Non-hydrogen_Atom_Count	7
21800	Total_Formal_Charge	0
59050045	Total_Formal_Charge	0
84871	Exact_Mass	466.111476
115149	Exact_Mass	586.16864101
260913	Covalent_Unit_Count	1
54530824	Molecular_Weight	114.14
12989	Covalent_Unit_Count	1
71464488	Undefined_Atom_Stereo_Count	1
5792	Undefined_Bond_Stereo_Count	0
956	Hydrogen_Bond_Acceptor_Count	25
31224	Hydrogen_Bond_Donor_Count	0
20118532	XLogP3-AA	0.7
57871279	Undefined_Atom_Stereo_Count	2
315341	Covalent_Unit_Count	1
200164	Isotope_Atom_Count	0
524217	Hydrogen_Bond_Acceptor_Count	1
71758314	Covalent_Unit_Count	1
153664867	Total_Formal_Charge	0
123920652	Molecular_Weight	110.20
68112	Defined_Bond_Stereo_Count	0
8269	Total_Formal_Charge	0
24900813	Hydrogen_Bond_Donor_Count	5
39628	Isotope_Atom_Count	0
12492	Rotatable_Bond_Count	3
680429	Molecular_Weight	338.4
7172302	Undefined_Bond_Stereo_Count	0
67656913	Total_Formal_Charge	0
12248569	Covalent_Unit_Count	1
442431	Rotatable_Bond_Count	6
408763	Isotope_Atom_Count	0
71453749	XLogP3-AA	3.6
157706	Structure_Complexity	137
4811	Undefined_Atom_Stereo_Count	2
79783	Undefined_Atom_Stereo_Count	0
75445	Non-hydrogen_Atom_Count	36
4019	Defined_Atom_Stereo_Count	0
5736	Mono_Isotopic_Weight	331.0797631
9258	Defined_Atom_Stereo_Count	0
8816	Undefined_Atom_Stereo_Count	0
2062	Structure_Complexity	621
89628790	Defined_Bond_Stereo_Count	0
56954881	Mono_Isotopic_Weight	340.16879665
8628	Defined_Atom_Stereo_Count	0
9964065	Tautomer_Count	2
15276695	Exact_Mass	99.068413911
135465076	Covalent_Unit_Count	2
19954	Exact_Mass	186.090546336
8761	Structure_Complexity	111
121290475	Defined_Bond_Stereo_Count	0
72076	Hydrogen_Bond_Acceptor_Count	4
3154	Undefined_Atom_Stereo_Count	2
21942008	Undefined_Atom_Stereo_Count	0
78607	Undefined_Bond_Stereo_Count	0
13347992	Molecular_Weight	108.18
141543352	XLogP3-AA	1.1
71225	Defined_Atom_Stereo_Count	0
60196312	Non-hydrogen_Atom_Count	42
24180686	Rotatable_Bond_Count	17
71456725	Undefined_Bond_Stereo_Count	0
18704550	Undefined_Atom_Stereo_Count	0
2322334	XLogP3-AA	4
26816	Hydrogen_Bond_Donor_Count	1
23111554	Undefined_Atom_Stereo_Count	1
265370	Exact_Mass	113.084063974
5282360	Non-hydrogen_Atom_Count	21
4133	TPSA	46.5
19077508	Total_Formal_Charge	0
6918235	Undefined_Bond_Stereo_Count	0
62852	Isotope_Atom_Count	0
70301	Hydrogen_Bond_Donor_Count	2
178024	TPSA	130
60196345	Hydrogen_Bond_Acceptor_Count	6
44338843	Hydrogen_Bond_Donor_Count	3
123805	Exact_Mass	898.46610084
156618055	Undefined_Atom_Stereo_Count	0
13426660	Hydrogen_Bond_Acceptor_Count	0
124072	Defined_Bond_Stereo_Count	0
6764	TPSA	59.9
11771234	Hydrogen_Bond_Donor_Count	2
25137678	Defined_Atom_Stereo_Count	3
448285	Undefined_Atom_Stereo_Count	0
10788	Undefined_Bond_Stereo_Count	0
101827037	Molecular_Weight	1389.9
98092	Mono_Isotopic_Weight	318.06003405
12433	Isotope_Atom_Count	0
3080926	Exact_Mass	186.079312947
162955687	Mono_Isotopic_Weight	342.11621151
11355992	Non-hydrogen_Atom_Count	13
48419	Non-hydrogen_Atom_Count	24
6364	Total_Formal_Charge	0
1328	Undefined_Atom_Stereo_Count	0
1469	Undefined_Atom_Stereo_Count	1
54007	XLogP3	2.7
9244	Defined_Atom_Stereo_Count	0
8272	Hydrogen_Bond_Donor_Count	2
78819	Undefined_Atom_Stereo_Count	0
7490	Rotatable_Bond_Count	2
15442732	Defined_Atom_Stereo_Count	0
13611195	Mono_Isotopic_Weight	108.093900383
12148	Covalent_Unit_Count	1
97535	Hydrogen_Bond_Donor_Count	5
8837	Exact_Mass	346.23553880
46782362	Tautomer_Count	1
11554076	Structure_Complexity	755
65575055	Defined_Bond_Stereo_Count	0
542446	Rotatable_Bond_Count	23
25151504	Defined_Atom_Stereo_Count	3
12310	Hydrogen_Bond_Acceptor_Count	0
77650	Hydrogen_Bond_Donor_Count	0
429819	TPSA	66.4
57398254	Undefined_Bond_Stereo_Count	0
34231	XLogP3-AA	2.3
94647	Non-hydrogen_Atom_Count	12
6950274	Defined_Bond_Stereo_Count	0
891	Undefined_Atom_Stereo_Count	0
135430308	Defined_Atom_Stereo_Count	0
23268532	Defined_Bond_Stereo_Count	0
37015	Total_Formal_Charge	0
68740500	Isotope_Atom_Count	0
3400822	Structure_Complexity	148
11525116	Structure_Complexity	692
12286866	TPSA	33
54605501	Structure_Complexity	981
23681107	Molecular_Weight	325.12
5289347	Mono_Isotopic_Weight	632.26332572
53318410	Hydrogen_Bond_Acceptor_Count	3
20767630	Total_Formal_Charge	0
1111	Hydrogen_Bond_Donor_Count	10
53485229	Exact_Mass	113.027691913
71517697	Covalent_Unit_Count	1
25271892	Undefined_Bond_Stereo_Count	0
47979	TPSA	119
102063302	Hydrogen_Bond_Acceptor_Count	2
70608	Defined_Bond_Stereo_Count	0
70038	XLogP3	3.2
30951	Undefined_Bond_Stereo_Count	0
18622352	XLogP3-AA	0.3
15658	Rotatable_Bond_Count	0
895	Undefined_Bond_Stereo_Count	0
97289	Mono_Isotopic_Weight	178.0185425
20307234	Undefined_Bond_Stereo_Count	0
89121960	Total_Formal_Charge	0
15475283	Hydrogen_Bond_Acceptor_Count	1
497377	Rotatable_Bond_Count	5
6780	Structure_Complexity	261
137512	Total_Formal_Charge	0
749823	TPSA	52
11253	Hydrogen_Bond_Donor_Count	0
565574	Isotope_Atom_Count	0
7646	Non-hydrogen_Atom_Count	13
445575	Molecular_Weight	388.5
69744	Isotope_Atom_Count	0
165359778	TPSA	17.1
54378536	TPSA	0
53462828	Non-hydrogen_Atom_Count	47
90478690	Hydrogen_Bond_Donor_Count	10
11327	Rotatable_Bond_Count	0
23665763	Hydrogen_Bond_Donor_Count	1
70280758	Exact_Mass	443.19911098
26009888	Rotatable_Bond_Count	0
312915	Total_Formal_Charge	0
11539562	Undefined_Atom_Stereo_Count	0
32226	Undefined_Atom_Stereo_Count	0
487856	Undefined_Bond_Stereo_Count	0
454844	Defined_Bond_Stereo_Count	0
4118	Hydrogen_Bond_Donor_Count	1
123228414	Hydrogen_Bond_Donor_Count	1
96638024	Defined_Atom_Stereo_Count	0
5462222	Non-hydrogen_Atom_Count	1
40473166	Covalent_Unit_Count	1
11137890	Exact_Mass	188.177630004
82593536	Mono_Isotopic_Weight	102.068079557
61286	Rotatable_Bond_Count	10
44563068	Isotope_Atom_Count	0
12540922	Hydrogen_Bond_Acceptor_Count	1
8506	Hydrogen_Bond_Donor_Count	2
8191	Hydrogen_Bond_Donor_Count	0
601880	TPSA	63.6
91769	Hydrogen_Bond_Acceptor_Count	5
5319	Rotatable_Bond_Count	3
45256294	Molecular_Weight	402.4
12630477	Rotatable_Bond_Count	0
10290744	Total_Formal_Charge	0
10049	XLogP3	2.7
69270	Non-hydrogen_Atom_Count	10
4714	Defined_Atom_Stereo_Count	0
11544171	Hydrogen_Bond_Donor_Count	2
13652343	Mono_Isotopic_Weight	899.857932
76460	Exact_Mass	714.51294241
4283516	Molecular_Weight	665.7
5957	Isotope_Atom_Count	0
16366	Rotatable_Bond_Count	0
20614524	Isotope_Atom_Count	0
145706202	Total_Formal_Charge	0
9958	Defined_Bond_Stereo_Count	0
1289	Undefined_Bond_Stereo_Count	0
32068	Undefined_Bond_Stereo_Count	0
67850	Structure_Complexity	134
14656672	TPSA	70
154404053	Undefined_Bond_Stereo_Count	0
97617	Defined_Atom_Stereo_Count	0
68365444	Rotatable_Bond_Count	0
44446780	Structure_Complexity	272
637991	Defined_Bond_Stereo_Count	0
13437377	Undefined_Atom_Stereo_Count	1
689784	Non-hydrogen_Atom_Count	24
143255	Defined_Atom_Stereo_Count	0
136673	Tautomer_Count	1
6441082	Molecular_Weight	356.4
45375946	TPSA	123
51299	Non-hydrogen_Atom_Count	13
11309487	Structure_Complexity	127
130125724	Non-hydrogen_Atom_Count	8
24848367	Hydrogen_Bond_Acceptor_Count	3
2761815	Hydrogen_Bond_Donor_Count	2
151193	Molecular_Weight	464.9
6434185	Isotope_Atom_Count	0
50990393	Exact_Mass	923.48784986
71011	Total_Formal_Charge	0
9624	Total_Formal_Charge	0
13316162	Exact_Mass	116.120115130
72201	Tautomer_Count	3
56948400	Hydrogen_Bond_Donor_Count	5
10630437	Defined_Atom_Stereo_Count	0
543885	Defined_Bond_Stereo_Count	0
441558	Defined_Atom_Stereo_Count	2
69111	Total_Formal_Charge	0
25608	Isotope_Atom_Count	0
156963715	Hydrogen_Bond_Donor_Count	8
5372131	Defined_Atom_Stereo_Count	0
527031	Undefined_Bond_Stereo_Count	0
13220	Undefined_Atom_Stereo_Count	0
20067437	Defined_Bond_Stereo_Count	0
18712663	Tautomer_Count	1
4583	Rotatable_Bond_Count	2
89445694	TPSA	17.1
10090750	Exact_Mass	373.204179104
44345559	Rotatable_Bond_Count	6
21414	Hydrogen_Bond_Acceptor_Count	1
141487201	Structure_Complexity	382
22256270	Defined_Atom_Stereo_Count	0
15289	Undefined_Atom_Stereo_Count	1
674917	Defined_Bond_Stereo_Count	0
445785	Rotatable_Bond_Count	19
67906	Non-hydrogen_Atom_Count	9
10498206	Rotatable_Bond_Count	8
36457	TPSA	182
8477	Defined_Atom_Stereo_Count	0
43833360	TPSA	13.7
162247	Mono_Isotopic_Weight	116.131348519
6326996	Covalent_Unit_Count	1
3996620	Molecular_Weight	231.23
26049	Total_Formal_Charge	0
22674	Rotatable_Bond_Count	6
226108	Exact_Mass	116.058577502
6257	Molecular_Weight	223.22
68846936	Structure_Complexity	596
78836	Defined_Atom_Stereo_Count	0
57645443	TPSA	110
53667465	XLogP3-AA	2.3
56828	Exact_Mass	363.1601214
3683036	Molecular_Weight	169.16
181583	Undefined_Atom_Stereo_Count	1
10240761	Hydrogen_Bond_Donor_Count	1
11528340	Molecular_Weight	118.13
82593536	Covalent_Unit_Count	1
23015900	Defined_Atom_Stereo_Count	0
3310	TPSA	161
159739	Covalent_Unit_Count	5
1647	Defined_Bond_Stereo_Count	0
88948	Defined_Atom_Stereo_Count	0
9578	Structure_Complexity	150
92024228	Hydrogen_Bond_Donor_Count	4
5311497	Defined_Bond_Stereo_Count	0
96400	XLogP3-AA	2.1
53302268	XLogP3-AA	0
6420023	Hydrogen_Bond_Acceptor_Count	26
11715	Structure_Complexity	42.2
91031492	TPSA	59.3
24825266	Undefined_Atom_Stereo_Count	0
439568	Tautomer_Count	1
18430688	Exact_Mass	108.057514874
46235922	TPSA	98.1
3613359	Structure_Complexity	22.8
15953	Hydrogen_Bond_Donor_Count	0
23691019	Hydrogen_Bond_Donor_Count	0
135550179	Undefined_Atom_Stereo_Count	0
7225	Molecular_Weight	133.15
121098	Covalent_Unit_Count	1
95866	Molecular_Weight	90.08
73240	Defined_Bond_Stereo_Count	0
14782182	Undefined_Atom_Stereo_Count	0
72200758	Undefined_Atom_Stereo_Count	0
7257	XLogP3	2.7
2737168	Tautomer_Count	1
89164217	Undefined_Atom_Stereo_Count	0
12604	Non-hydrogen_Atom_Count	26
5564	Molecular_Weight	289.5
23721821	Hydrogen_Bond_Donor_Count	4
9704	Undefined_Bond_Stereo_Count	0
5256168	Undefined_Bond_Stereo_Count	0
17477	Defined_Bond_Stereo_Count	0
1946	Undefined_Atom_Stereo_Count	0
13348002	Undefined_Bond_Stereo_Count	0
135391144	Defined_Atom_Stereo_Count	20
2378095	Covalent_Unit_Count	1
7212	Total_Formal_Charge	0
65719	Total_Formal_Charge	0
521863	Total_Formal_Charge	0
140112497	Hydrogen_Bond_Donor_Count	1
49869040	XLogP3-AA	3.3
701621	XLogP3-AA	3.1
50293	Mono_Isotopic_Weight	228.901960
11285653	Tautomer_Count	1
22160808	Non-hydrogen_Atom_Count	8
282	Hydrogen_Bond_Acceptor_Count	4
86308705	Isotope_Atom_Count	0
9845622	Mono_Isotopic_Weight	431.15801676
77680	Undefined_Bond_Stereo_Count	0
9796068	TPSA	88.9
557049	Undefined_Atom_Stereo_Count	3
13367	Defined_Atom_Stereo_Count	0
43095	Tautomer_Count	1
273577	TPSA	24.9
179342	Hydrogen_Bond_Donor_Count	0
5282321	Non-hydrogen_Atom_Count	42
6321424	Rotatable_Bond_Count	8
208880	XLogP3-AA	0.5
104818	Total_Formal_Charge	0
7963	Total_Formal_Charge	0
31953	Undefined_Bond_Stereo_Count	0
6328154	Defined_Atom_Stereo_Count	0
7130	Hydrogen_Bond_Acceptor_Count	1
70249	Rotatable_Bond_Count	8
10313077	Non-hydrogen_Atom_Count	7
134693959	Molecular_Weight	461.4
100016	Exact_Mass	228.07462149
57265913	Undefined_Atom_Stereo_Count	2
6450807	Covalent_Unit_Count	1
88269064	Total_Formal_Charge	0
23324969	Hydrogen_Bond_Acceptor_Count	0
133108869	TPSA	75.6
1800	Hydrogen_Bond_Donor_Count	3
99058	Non-hydrogen_Atom_Count	16
516806	TPSA	242
16659676	Exact_Mass	449.1490768
90753995	Total_Formal_Charge	0
19768890	Total_Formal_Charge	0
8112	Isotope_Atom_Count	0
13159	Molecular_Weight	98.19
7048611	Isotope_Atom_Count	0
20811708	Hydrogen_Bond_Donor_Count	0
100965141	Exact_Mass	342.11638967
6815	Defined_Atom_Stereo_Count	0
59709	Covalent_Unit_Count	5
49342	Exact_Mass	243.09291458
59154494	Hydrogen_Bond_Acceptor_Count	2
93101	Covalent_Unit_Count	1
12326432	Structure_Complexity	91.7
685814	TPSA	73.2
10197646	Covalent_Unit_Count	1
180098	Hydrogen_Bond_Donor_Count	3
159278	Undefined_Bond_Stereo_Count	0
44758	Undefined_Atom_Stereo_Count	0
14803791	TPSA	26.3
54676884	Undefined_Atom_Stereo_Count	2
9839190	Exact_Mass	297.147726857
10685477	Isotope_Atom_Count	0
5375048	Defined_Atom_Stereo_Count	0
76958180	Tautomer_Count	2
11106352	Hydrogen_Bond_Donor_Count	0
57609	Defined_Bond_Stereo_Count	0
5364079	Rotatable_Bond_Count	3
6438372	Isotope_Atom_Count	0
137643	Exact_Mass	112.088815002
6857536	Rotatable_Bond_Count	0
6539026	Hydrogen_Bond_Donor_Count	2
90813484	Total_Formal_Charge	0
14970970	Structure_Complexity	109
3855171	Covalent_Unit_Count	1
9266	Undefined_Bond_Stereo_Count	0
54092188	Undefined_Atom_Stereo_Count	0
146156434	Rotatable_Bond_Count	9
3003004	XLogP3-AA	3.7
220878	Non-hydrogen_Atom_Count	7
124094	Exact_Mass	522.12722861
31195	Structure_Complexity	206
62546	Rotatable_Bond_Count	18
81129	XLogP3	2.4
12203051	Defined_Bond_Stereo_Count	0
16136245	Isotope_Atom_Count	0
54054	Total_Formal_Charge	0
23680396	Undefined_Atom_Stereo_Count	2
11461044	Total_Formal_Charge	0
22918788	Mono_Isotopic_Weight	88.052429494
72424	Rotatable_Bond_Count	20
9934032	Defined_Bond_Stereo_Count	0
101684738	Structure_Complexity	133
53484290	Defined_Bond_Stereo_Count	0
9210	Undefined_Bond_Stereo_Count	0
69272932	Rotatable_Bond_Count	8
135431244	XLogP3-AA	0.1
20060810	Undefined_Bond_Stereo_Count	0
20491	Hydrogen_Bond_Acceptor_Count	3
659840	Tautomer_Count	3
14197	Non-hydrogen_Atom_Count	27
244030	Isotope_Atom_Count	0
10017019	Exact_Mass	288.00106
315411	Isotope_Atom_Count	0
9908783	Rotatable_Bond_Count	3
784	Molecular_Weight	34.015
17475	Defined_Atom_Stereo_Count	0
44260118	Molecular_Weight	822.9
21867154	Total_Formal_Charge	0
156588466	Exact_Mass	709.012063
18929959	Total_Formal_Charge	0
90735699	Rotatable_Bond_Count	3
39874	Isotope_Atom_Count	0
59050128	Molecular_Weight	111.15
14923	Total_Formal_Charge	0
5460221	Structure_Complexity	228
9499	XLogP3-AA	2.2
44134800	Undefined_Atom_Stereo_Count	0
2192	Covalent_Unit_Count	1
1302	Mono_Isotopic_Weight	230.094294304
535623	Rotatable_Bond_Count	0
66793	XLogP3	1.9
86010	Mono_Isotopic_Weight	212.0369090
10723	XLogP3-AA	1.8
3010347	Hydrogen_Bond_Donor_Count	1
12555	Hydrogen_Bond_Acceptor_Count	3
9798098	Rotatable_Bond_Count	7
342681	XLogP3-AA	1.3
45790066	Covalent_Unit_Count	4
11765960	XLogP3	1.8
89590	Exact_Mass	164.083729621
140799438	Undefined_Atom_Stereo_Count	0
93227	Molecular_Weight	269.2
13334302	Structure_Complexity	68.8
1615208	TPSA	70.1
23695324	Tautomer_Count	3
1470715	XLogP3-AA	1.9
3153	Tautomer_Count	53
5281605	Hydrogen_Bond_Donor_Count	3
12224	Non-hydrogen_Atom_Count	4
12394645	Rotatable_Bond_Count	0
11513733	Covalent_Unit_Count	1
143403310	Hydrogen_Bond_Donor_Count	2
131704232	Total_Formal_Charge	0
57345538	Undefined_Atom_Stereo_Count	0
74079	Mono_Isotopic_Weight	189.042593085
71905	Hydrogen_Bond_Acceptor_Count	5
2160	Hydrogen_Bond_Acceptor_Count	1
3032536	Mono_Isotopic_Weight	128.870899
8183	Undefined_Bond_Stereo_Count	0
1792	TPSA	66
14238	Defined_Bond_Stereo_Count	0
5281232	Hydrogen_Bond_Donor_Count	2
131125742	Molecular_Weight	95.14
616651	Isotope_Atom_Count	0
2782524	Structure_Complexity	97.9
79244	TPSA	37.4
25959	Molecular_Weight	211.95
24191118	Total_Formal_Charge	0
101955	Mono_Isotopic_Weight	102.0086696
245	Structure_Complexity	480
19208	Covalent_Unit_Count	1
16666	Structure_Complexity	120
141329202	Defined_Bond_Stereo_Count	0
24961094	Defined_Atom_Stereo_Count	0
45488108	XLogP3-AA	3.6
13613	Exact_Mass	128.094963011
67172	Molecular_Weight	410.5
25067547	Tautomer_Count	16
9907842	Tautomer_Count	1
54691418	Exact_Mass	216.06338810
501728	Isotope_Atom_Count	0
17963227	Hydrogen_Bond_Acceptor_Count	5
9849490	Undefined_Atom_Stereo_Count	1
5284518	Covalent_Unit_Count	1
74086836	Exact_Mass	183.87579
102594	Non-hydrogen_Atom_Count	7
13415147	Mono_Isotopic_Weight	118.074227566
24466	Non-hydrogen_Atom_Count	17
7059	Undefined_Atom_Stereo_Count	0
70678916	Undefined_Atom_Stereo_Count	0
70280758	Non-hydrogen_Atom_Count	31
89415004	Exact_Mass	116.083729621
1344	XLogP3	0.1
91469	Undefined_Atom_Stereo_Count	0
79577129	Non-hydrogen_Atom_Count	8
19027815	TPSA	15.8
73847	Structure_Complexity	163
773	Mono_Isotopic_Weight	155.069476538
12160	Undefined_Bond_Stereo_Count	0
321	Defined_Atom_Stereo_Count	0
5402	Isotope_Atom_Count	0
18517524	Mono_Isotopic_Weight	433.928234
6435801	TPSA	110
118705472	Rotatable_Bond_Count	5
41505	Defined_Bond_Stereo_Count	0
21590560	Covalent_Unit_Count	1
76218	Isotope_Atom_Count	0
6785	Molecular_Weight	280.27
12310714	Undefined_Atom_Stereo_Count	1
135398731	Non-hydrogen_Atom_Count	32
103451287	Undefined_Bond_Stereo_Count	0
5281394	TPSA	200
81325	Rotatable_Bond_Count	3
68304261	Total_Formal_Charge	0
5373603	XLogP3-AA	2.6
11182588	Hydrogen_Bond_Donor_Count	1
165286	Defined_Atom_Stereo_Count	0
2227	Defined_Atom_Stereo_Count	0
19966	Exact_Mass	84.093900383
23712865	Hydrogen_Bond_Donor_Count	0
14989	Mono_Isotopic_Weight	418.12638228
21723	Exact_Mass	502.077368
3357	Undefined_Bond_Stereo_Count	0
16049158	Hydrogen_Bond_Donor_Count	5
17090	Non-hydrogen_Atom_Count	10
103446246	Rotatable_Bond_Count	1
24832091	Hydrogen_Bond_Acceptor_Count	11
16	Hydrogen_Bond_Donor_Count	2
23692128	Hydrogen_Bond_Donor_Count	3
98088	Mono_Isotopic_Weight	138.104465066
6918524	Molecular_Weight	269.73
76771	Covalent_Unit_Count	3
15590756	Rotatable_Bond_Count	0
694041	Hydrogen_Bond_Donor_Count	2
3816043	Total_Formal_Charge	0
18696583	Molecular_Weight	102.18
121513955	XLogP3-AA	4.3
65432	Defined_Atom_Stereo_Count	0
577543	Hydrogen_Bond_Donor_Count	1
16072219	TPSA	173
7103	Non-hydrogen_Atom_Count	13
12664537	Total_Formal_Charge	0
8679	Defined_Atom_Stereo_Count	0
71433	Defined_Bond_Stereo_Count	0
71308696	Undefined_Atom_Stereo_Count	1
9887537	Isotope_Atom_Count	0
5484735	Defined_Atom_Stereo_Count	2
40903	Covalent_Unit_Count	1
20653386	Undefined_Atom_Stereo_Count	2
12257	Defined_Atom_Stereo_Count	0
71652	Covalent_Unit_Count	1
3039	Defined_Bond_Stereo_Count	0
135475930	Structure_Complexity	728
5365585	Hydrogen_Bond_Acceptor_Count	0
129652019	Defined_Bond_Stereo_Count	0
3094	Defined_Atom_Stereo_Count	0
88959085	Mono_Isotopic_Weight	114.031694049
5702073	Undefined_Atom_Stereo_Count	2
25008941	Defined_Bond_Stereo_Count	0
154059	Mono_Isotopic_Weight	362.199428076
12672	XLogP3-AA	2
676399	Rotatable_Bond_Count	5
14012376	Covalent_Unit_Count	1
22902239	Molecular_Weight	94.11
90479422	Covalent_Unit_Count	1
60975	Isotope_Atom_Count	0
20129	XLogP3-AA	1.6
44557636	Hydrogen_Bond_Donor_Count	0
444360	Isotope_Atom_Count	0
12076	XLogP3	1.9
30692	Exact_Mass	237.96931172
64824	Defined_Bond_Stereo_Count	0
53643	Isotope_Atom_Count	0
10290754	Total_Formal_Charge	0
124723	Exact_Mass	128.058577502
15204529	Rotatable_Bond_Count	0
2909	Total_Formal_Charge	0
6918653	Undefined_Bond_Stereo_Count	0
6699	XLogP3-AA	5.9
9248	Tautomer_Count	1
949	Defined_Atom_Stereo_Count	0
137240373	Covalent_Unit_Count	6
5324810	Hydrogen_Bond_Acceptor_Count	3
61207	Tautomer_Count	1
2418	Isotope_Atom_Count	0
17961316	TPSA	46.2
72786882	Undefined_Bond_Stereo_Count	0
88261	Mono_Isotopic_Weight	230.224580195
244809	Undefined_Bond_Stereo_Count	0
71080	Hydrogen_Bond_Donor_Count	2
42291	Undefined_Bond_Stereo_Count	0
2468	Total_Formal_Charge	0
135348034	Exact_Mass	111.043261792
130150414	Mono_Isotopic_Weight	118.02660867
301520	Defined_Bond_Stereo_Count	0
223866	Defined_Atom_Stereo_Count	0
6358	Undefined_Bond_Stereo_Count	0
152943	Covalent_Unit_Count	3
81217	Tautomer_Count	1
1474141	Hydrogen_Bond_Acceptor_Count	5
5463854	Total_Formal_Charge	0
64964	Non-hydrogen_Atom_Count	14
11657	Non-hydrogen_Atom_Count	4
25142175	Hydrogen_Bond_Donor_Count	2
81530	Defined_Bond_Stereo_Count	0
58186	Undefined_Bond_Stereo_Count	0
4017	Exact_Mass	1406.93370526
92251	Hydrogen_Bond_Acceptor_Count	2
9458	Mono_Isotopic_Weight	248.02964319
72200721	Undefined_Bond_Stereo_Count	0
398597	Rotatable_Bond_Count	7
140233814	Rotatable_Bond_Count	1
67106798	Defined_Bond_Stereo_Count	0
25071151	Defined_Atom_Stereo_Count	0
7034	XLogP3	4.9
19883311	Undefined_Atom_Stereo_Count	1
3032	Covalent_Unit_Count	1
2472	Hydrogen_Bond_Donor_Count	1
128847	Covalent_Unit_Count	1
439213	Rotatable_Bond_Count	1
194674	Hydrogen_Bond_Acceptor_Count	4
27402	Defined_Bond_Stereo_Count	0
13035004	Defined_Bond_Stereo_Count	0
75577315	Defined_Atom_Stereo_Count	0
71221	XLogP3-AA	2.2
69242	Undefined_Bond_Stereo_Count	0
91861230	Undefined_Bond_Stereo_Count	0
132941102	Defined_Atom_Stereo_Count	15
8989	Rotatable_Bond_Count	12
16036825	Undefined_Bond_Stereo_Count	0
803776	Rotatable_Bond_Count	4
25124826	Covalent_Unit_Count	1
74754	Structure_Complexity	396
14892	Defined_Atom_Stereo_Count	2
11256720	Isotope_Atom_Count	0
11865459	XLogP3	2.9
1265	Molecular_Weight	485.5
7841	Exact_Mass	119.95746
5284441	Isotope_Atom_Count	0
59875983	Exact_Mass	100.052429494
303547	TPSA	43.1
5459377	Molecular_Weight	677.9
20280	Rotatable_Bond_Count	15
59432048	Hydrogen_Bond_Acceptor_Count	4
2795	TPSA	23.5
11116575	Covalent_Unit_Count	1
4060	Hydrogen_Bond_Acceptor_Count	2
14949721	Mono_Isotopic_Weight	99.104799419
521207	Structure_Complexity	323
15009279	Total_Formal_Charge	0
44562468	Isotope_Atom_Count	0
21752	Covalent_Unit_Count	1
160419	Defined_Atom_Stereo_Count	0
17355	Rotatable_Bond_Count	3
131634423	Covalent_Unit_Count	3
54130	Molecular_Weight	260.33
14094187	Undefined_Bond_Stereo_Count	0
104485	Covalent_Unit_Count	1
70580528	Molecular_Weight	378.4
56955285	Hydrogen_Bond_Donor_Count	1
9547215	Exact_Mass	386.24570956
64049	Undefined_Atom_Stereo_Count	0
24840945	Defined_Bond_Stereo_Count	0
59755734	XLogP3-AA	0.5
21252133	Total_Formal_Charge	0
12382883	Mono_Isotopic_Weight	213.10481667
7745	Non-hydrogen_Atom_Count	7
165971	Defined_Atom_Stereo_Count	0
56840877	Molecular_Weight	371.25
6022	Structure_Complexity	638
13531384	Isotope_Atom_Count	0
10402760	Rotatable_Bond_Count	6
447196	Structure_Complexity	354
706529	Defined_Bond_Stereo_Count	0
59295994	Undefined_Bond_Stereo_Count	0
86821	Structure_Complexity	634
78422638	Isotope_Atom_Count	0
16130957	Total_Formal_Charge	0
68745	Total_Formal_Charge	0
21453	Defined_Atom_Stereo_Count	0
71679077	Molecular_Weight	425.7
23616278	Molecular_Weight	92.57
6127	Rotatable_Bond_Count	2
19754593	Defined_Bond_Stereo_Count	0
30999	TPSA	41.8
8012	Hydrogen_Bond_Acceptor_Count	1
59966656	Rotatable_Bond_Count	6
994872	Hydrogen_Bond_Donor_Count	2
842090	Defined_Bond_Stereo_Count	0
708625	Defined_Bond_Stereo_Count	0
130611	Covalent_Unit_Count	1
107282	Covalent_Unit_Count	1
16138	Non-hydrogen_Atom_Count	28
24785538	TPSA	116
129009973	Structure_Complexity	609
71541189	Total_Formal_Charge	0
24779724	Structure_Complexity	494
233707	XLogP3-AA	0.8
444863	Defined_Bond_Stereo_Count	0
20093437	Total_Formal_Charge	0
127527	Undefined_Atom_Stereo_Count	0
20614524	Hydrogen_Bond_Acceptor_Count	2
12214987	Hydrogen_Bond_Donor_Count	0
11158353	Non-hydrogen_Atom_Count	26
3192	Defined_Bond_Stereo_Count	0
54557	Defined_Bond_Stereo_Count	0
18728219	TPSA	38.4
6540	TPSA	72.4
11040399	Defined_Bond_Stereo_Count	1
24480	Non-hydrogen_Atom_Count	3
829795	Non-hydrogen_Atom_Count	16
25244090	Molecular_Weight	198.18
5353370	Hydrogen_Bond_Donor_Count	1
89738	Exact_Mass	102.042927438
58544	Isotope_Atom_Count	0
20379467	Covalent_Unit_Count	1
31398	Total_Formal_Charge	0
17074527	Defined_Atom_Stereo_Count	0
60605	Hydrogen_Bond_Acceptor_Count	9
135436526	Undefined_Bond_Stereo_Count	0
6419942	Molecular_Weight	302.16
198382	Exact_Mass	175.0400063
7386	Non-hydrogen_Atom_Count	13
11632113	Rotatable_Bond_Count	7
54685734	Rotatable_Bond_Count	2
10890565	Structure_Complexity	288
27826	Exact_Mass	129.090211983
57363	Non-hydrogen_Atom_Count	27
637584	Covalent_Unit_Count	1
122639	Rotatable_Bond_Count	33
76714	Covalent_Unit_Count	1
5639	TPSA	68.4
2734167	Exact_Mass	188.1080262
33653	Mono_Isotopic_Weight	278.1073575
3034351	Total_Formal_Charge	0
6437358	Undefined_Atom_Stereo_Count	0
13177014	Isotope_Atom_Count	0
41910	Defined_Atom_Stereo_Count	0
44280082	Mono_Isotopic_Weight	257.05104977
161760	Defined_Atom_Stereo_Count	0
362413	Total_Formal_Charge	0
61361	XLogP3	2.8
124770287	Hydrogen_Bond_Donor_Count	7
87425008	Molecular_Weight	349.2
147895	Covalent_Unit_Count	1
122214038	Total_Formal_Charge	0
5311345	TPSA	78.7
37175	Defined_Atom_Stereo_Count	0
412781	Hydrogen_Bond_Acceptor_Count	4
134824657	Exact_Mass	529.21726296
222155	Molecular_Weight	548.7
15077409	Defined_Atom_Stereo_Count	0
129870262	Rotatable_Bond_Count	0
20463	Isotope_Atom_Count	0
91419082	Undefined_Atom_Stereo_Count	1
5281072	Undefined_Bond_Stereo_Count	0
1469	Rotatable_Bond_Count	15
71458923	Isotope_Atom_Count	0
139059144	Non-hydrogen_Atom_Count	19
520148	Tautomer_Count	1
5362115	Total_Formal_Charge	0
859783	Undefined_Bond_Stereo_Count	0
10675	Hydrogen_Bond_Acceptor_Count	4
87074	Structure_Complexity	123
10666310	Total_Formal_Charge	0
98070685	Total_Formal_Charge	1
5484132	Defined_Bond_Stereo_Count	1
59973	Undefined_Bond_Stereo_Count	0
46783403	TPSA	198
137092	Defined_Bond_Stereo_Count	0
668620	TPSA	66.1
3038512	Mono_Isotopic_Weight	380.19607403
2347	Exact_Mass	312.13615911
18956015	Non-hydrogen_Atom_Count	8
130152397	Hydrogen_Bond_Acceptor_Count	2
9590	Non-hydrogen_Atom_Count	10
57394330	Mono_Isotopic_Weight	442.29439109
130002904	Undefined_Atom_Stereo_Count	3
2734181	Exact_Mass	251.1468424
6151	Hydrogen_Bond_Acceptor_Count	4
9603	Isotope_Atom_Count	0
44123456	Isotope_Atom_Count	0
17763680	Hydrogen_Bond_Donor_Count	2
13200	Mono_Isotopic_Weight	108.057514874
4848	TPSA	68.8
95308	Exact_Mass	129.078978594
16205480	Defined_Atom_Stereo_Count	0
939	Exact_Mass	335.06442747
54725318	Hydrogen_Bond_Acceptor_Count	7
58907754	Defined_Atom_Stereo_Count	6
54548956	Exact_Mass	112.063662883
3445	TPSA	63.3
57109318	Rotatable_Bond_Count	0
149208291	Exact_Mass	97.089149355
18447	Structure_Complexity	423
65335	Isotope_Atom_Count	0
71234	Structure_Complexity	362
49091	Isotope_Atom_Count	0
53326398	Structure_Complexity	1110
48845	Undefined_Bond_Stereo_Count	0
12310	Structure_Complexity	58.6
134688474	Isotope_Atom_Count	0
656909	Exact_Mass	308.16574516
44516953	Non-hydrogen_Atom_Count	45
57174376	Structure_Complexity	97.5
44455404	Hydrogen_Bond_Donor_Count	3
117867	Isotope_Atom_Count	0
11051613	Rotatable_Bond_Count	2
18639728	Molecular_Weight	154.25
23274317	Undefined_Bond_Stereo_Count	0
82718360	Non-hydrogen_Atom_Count	8
2063	Exact_Mass	184.063662883
893	Hydrogen_Bond_Donor_Count	1
444655	Molecular_Weight	121.16
12338288	Hydrogen_Bond_Acceptor_Count	1
825353	Total_Formal_Charge	0
101399329	Hydrogen_Bond_Acceptor_Count	2
60196319	Defined_Atom_Stereo_Count	1
11974020	XLogP3-AA	3.7
3035218	Hydrogen_Bond_Donor_Count	7
100937012	Undefined_Bond_Stereo_Count	0
15699917	Covalent_Unit_Count	1
98150	Undefined_Atom_Stereo_Count	1
60201265	Defined_Atom_Stereo_Count	2
274418	Undefined_Atom_Stereo_Count	2
5568	Rotatable_Bond_Count	4
45488121	Exact_Mass	422.15543222
23307900	Defined_Bond_Stereo_Count	0
33309	Isotope_Atom_Count	0
87224935	Mono_Isotopic_Weight	166.099379685
51030898	Undefined_Bond_Stereo_Count	0
102239760	Molecular_Weight	704.9
83403	Defined_Bond_Stereo_Count	0
8069	Rotatable_Bond_Count	2
431094	Hydrogen_Bond_Acceptor_Count	18
5359353	TPSA	49.8
4865	Undefined_Atom_Stereo_Count	4
135417349	Molecular_Weight	116.12
13046623	TPSA	20.2
40585	TPSA	59.3
13163973	Isotope_Atom_Count	0
18952320	Total_Formal_Charge	0
44394119	Defined_Atom_Stereo_Count	2
39234960	Hydrogen_Bond_Acceptor_Count	2
698851	Hydrogen_Bond_Donor_Count	0
63141	Molecular_Weight	516.11
22764074	Hydrogen_Bond_Donor_Count	0
63085159	XLogP3-AA	0.5
23625548	Undefined_Atom_Stereo_Count	0
8651	Molecular_Weight	210.23
77487	Rotatable_Bond_Count	4
163050675	Rotatable_Bond_Count	0
87412180	Molecular_Weight	284.35
3961	Defined_Atom_Stereo_Count	0
44310707	Mono_Isotopic_Weight	375.21580641
42291	Defined_Atom_Stereo_Count	0
3803614	Defined_Bond_Stereo_Count	0
2122	Non-hydrogen_Atom_Count	22
11169	Rotatable_Bond_Count	0
31018	Hydrogen_Bond_Acceptor_Count	2
21940	Defined_Bond_Stereo_Count	0
59174488	Covalent_Unit_Count	1
5281004	TPSA	93.1
6977134	Rotatable_Bond_Count	2
6917719	Isotope_Atom_Count	0
16212773	Structure_Complexity	382
163050678	Mono_Isotopic_Weight	284.16237386
16249	TPSA	52.6
59894	XLogP3	1.8
17835	Non-hydrogen_Atom_Count	11
520721	XLogP3-AA	0.3
10405997	Exact_Mass	356.23514488
198212	Structure_Complexity	227
135889896	Defined_Bond_Stereo_Count	5
22419332	Hydrogen_Bond_Acceptor_Count	2
22563961	Hydrogen_Bond_Acceptor_Count	1
71693	Molecular_Weight	311.4
6436079	XLogP3	6.2
72506564	Isotope_Atom_Count	0
37511	Molecular_Weight	103.16
75184787	Defined_Bond_Stereo_Count	0
53752206	Undefined_Bond_Stereo_Count	1
24892842	Undefined_Atom_Stereo_Count	1
9817917	Undefined_Bond_Stereo_Count	0
565589	XLogP3-AA	2.6
16005262	Non-hydrogen_Atom_Count	7
69667	Hydrogen_Bond_Acceptor_Count	0
20138	Isotope_Atom_Count	0
22175537	Defined_Bond_Stereo_Count	0
11083833	Undefined_Atom_Stereo_Count	0
16219903	Non-hydrogen_Atom_Count	44
5108383	Structure_Complexity	442
11355992	Structure_Complexity	87.7
9283	Hydrogen_Bond_Acceptor_Count	3
138988041	Undefined_Bond_Stereo_Count	0
11952	Undefined_Bond_Stereo_Count	0
14552708	Undefined_Atom_Stereo_Count	1
11446863	Molecular_Weight	194.13
6942	Isotope_Atom_Count	0
86211	Structure_Complexity	387
103451510	XLogP3-AA	0.2
54099616	Total_Formal_Charge	0
59296090	Defined_Atom_Stereo_Count	1
141080616	Total_Formal_Charge	0
75087	Exact_Mass	328.15534438
10145345	Covalent_Unit_Count	1
75614	Structure_Complexity	432
177084	XLogP3-AA	2.1
533460	Mono_Isotopic_Weight	71.073499291
94508	Isotope_Atom_Count	0
73707356	Mono_Isotopic_Weight	450.27298694
9816506	Covalent_Unit_Count	1
79302	Structure_Complexity	132
5281071	Hydrogen_Bond_Donor_Count	1
10777574	Exact_Mass	258.05581460
22220875	Structure_Complexity	103
998021	Undefined_Bond_Stereo_Count	0
53672	Hydrogen_Bond_Acceptor_Count	10
101707	Exact_Mass	235.136099547
53928139	Defined_Atom_Stereo_Count	0
43558819	Structure_Complexity	122
17159	Tautomer_Count	1
153648135	Non-hydrogen_Atom_Count	7
154825555	Undefined_Atom_Stereo_Count	1
135505	Undefined_Bond_Stereo_Count	0
118797455	Undefined_Atom_Stereo_Count	6
164087	Isotope_Atom_Count	0
688763	Defined_Bond_Stereo_Count	0
15365	Covalent_Unit_Count	1
6400271	Structure_Complexity	228
76830	Molecular_Weight	257.09
65757	Hydrogen_Bond_Donor_Count	0
57400694	Undefined_Atom_Stereo_Count	0
135436520	Covalent_Unit_Count	2
7491	Structure_Complexity	157
2243	Defined_Bond_Stereo_Count	0
1516506	Defined_Bond_Stereo_Count	0
3927	Structure_Complexity	511
51397515	Exact_Mass	545.09131438
134687950	Exact_Mass	493.23118169
125556	Undefined_Atom_Stereo_Count	0
9909846	Molecular_Weight	416.6
66612869	Structure_Complexity	90.4
21718305	Exact_Mass	113.084063974
171527	Exact_Mass	347.1652068
163518393	Molecular_Weight	115.13
17317	Molecular_Weight	236.34
31803	Mono_Isotopic_Weight	341.16270821
10881	Defined_Bond_Stereo_Count	0
181287	XLogP3-AA	1.3
13379958	Covalent_Unit_Count	1
17754772	Hydrogen_Bond_Acceptor_Count	4
657378	XLogP3	0.9
12364760	Covalent_Unit_Count	1
10176082	Rotatable_Bond_Count	0
69137	Isotope_Atom_Count	0
68401	Hydrogen_Bond_Donor_Count	1
129702186	Hydrogen_Bond_Acceptor_Count	9
625277	TPSA	35.5
457	Molecular_Weight	137.16
14049689	Defined_Bond_Stereo_Count	0
61240	Total_Formal_Charge	0
49852344	Covalent_Unit_Count	1
65708	Molecular_Weight	190.20
44717198	Tautomer_Count	1
37144	TPSA	17.1
90125683	Total_Formal_Charge	0
71072034	Molecular_Weight	491.4
54427	Defined_Bond_Stereo_Count	0
55296078	Rotatable_Bond_Count	1
4592	Defined_Atom_Stereo_Count	0
104842	Hydrogen_Bond_Acceptor_Count	6
4845	Total_Formal_Charge	0
9264	Covalent_Unit_Count	1
4017	Undefined_Bond_Stereo_Count	0
20849290	Undefined_Bond_Stereo_Count	0
70697352	Defined_Bond_Stereo_Count	0
1550887	Molecular_Weight	264.3
12454	Mono_Isotopic_Weight	400.1376123
49766037	XLogP3-AA	1
20838642	Undefined_Bond_Stereo_Count	0
5318517	Non-hydrogen_Atom_Count	25
439248	Non-hydrogen_Atom_Count	56
83346	Defined_Bond_Stereo_Count	0
14581	Molecular_Weight	199.25
945090	Rotatable_Bond_Count	4
5558	Covalent_Unit_Count	1
7118	Defined_Atom_Stereo_Count	0
10586	Hydrogen_Bond_Donor_Count	1
110823	TPSA	44.5
70555429	Molecular_Weight	96.09
3763	XLogP3	2.1
24020	Rotatable_Bond_Count	4
317677	Rotatable_Bond_Count	2
58714	Molecular_Weight	197.23
58143028	XLogP3-AA	1.2
5280378	TPSA	55.8
16106	Rotatable_Bond_Count	1
84420187	Total_Formal_Charge	0
10953454	Isotope_Atom_Count	0
173799	Exact_Mass	464.24101810
734	Rotatable_Bond_Count	8
54429344	Undefined_Bond_Stereo_Count	0
53317992	Structure_Complexity	174
22281319	Mono_Isotopic_Weight	97.052763847
6871212	Defined_Atom_Stereo_Count	0
24917008	Molecular_Weight	290.42
9549326	Hydrogen_Bond_Acceptor_Count	22
17899	Hydrogen_Bond_Donor_Count	0
1810216	XLogP3-AA	0
25162926	Exact_Mass	583.23212480
3713298	XLogP3	0.9
1474853	Undefined_Bond_Stereo_Count	0
79276	Total_Formal_Charge	0
9026	Exact_Mass	354.31339520
79224	Molecular_Weight	216.03
88093945	Non-hydrogen_Atom_Count	30
72199784	Non-hydrogen_Atom_Count	35
65802	XLogP3-AA	1
7973	Exact_Mass	156.95271
103376402	Total_Formal_Charge	0
131411054	Hydrogen_Bond_Acceptor_Count	1
11953931	Undefined_Bond_Stereo_Count	0
23622607	Undefined_Atom_Stereo_Count	0
9234	Exact_Mass	98.073164938
66609526	Exact_Mass	110.048012819
894278	Covalent_Unit_Count	1
520383	Mono_Isotopic_Weight	204.187800766
14382273	Molecular_Weight	116.16
55288840	Structure_Complexity	161
2734173	Mono_Isotopic_Weight	164.143924578
87869	Defined_Atom_Stereo_Count	2
13247016	Isotope_Atom_Count	0
65595	Isotope_Atom_Count	0
87112	Exact_Mass	174.031694049
162344793	Molecular_Weight	1011.7
57391458	Defined_Bond_Stereo_Count	0
9957217	Structure_Complexity	629
298391	Undefined_Bond_Stereo_Count	0
203911	Rotatable_Bond_Count	2
6914	Hydrogen_Bond_Donor_Count	1
20216100	Rotatable_Bond_Count	0
446753	TPSA	109
20504	Total_Formal_Charge	0
11562233	Total_Formal_Charge	0
25273609	Defined_Bond_Stereo_Count	0
25131330	Hydrogen_Bond_Donor_Count	1
165105	TPSA	107
38040	Exact_Mass	291.919411
73801102	Non-hydrogen_Atom_Count	7
5280880	Undefined_Atom_Stereo_Count	0
54545615	Undefined_Atom_Stereo_Count	1
84393	Defined_Bond_Stereo_Count	0
3085877	Exact_Mass	164.058577502
46407	Undefined_Bond_Stereo_Count	0
68023	Hydrogen_Bond_Donor_Count	0
72114	Isotope_Atom_Count	0
102118	Exact_Mass	444.06926132
12607503	Covalent_Unit_Count	1
15457	Isotope_Atom_Count	0
135409453	TPSA	87.8
13285795	Molecular_Weight	85.10
172717	Rotatable_Bond_Count	3
53834604	TPSA	18.5
48000	Exact_Mass	696.34642666
119590	Undefined_Atom_Stereo_Count	0
12359154	Total_Formal_Charge	0
8819	Hydrogen_Bond_Acceptor_Count	6
76963834	Defined_Bond_Stereo_Count	0
10046162	Undefined_Atom_Stereo_Count	0
193702	XLogP3	6.5
11567473	Structure_Complexity	806
70589	Non-hydrogen_Atom_Count	25
7822	Exact_Mass	128.120115130
69640	Hydrogen_Bond_Donor_Count	2
136726	Defined_Bond_Stereo_Count	0
12594098	Hydrogen_Bond_Donor_Count	0
57398260	Hydrogen_Bond_Donor_Count	2
7130	Rotatable_Bond_Count	2
98655	TPSA	43.4
10175126	Undefined_Bond_Stereo_Count	0
133268473	Isotope_Atom_Count	0
44310002	TPSA	49.7
10112	Covalent_Unit_Count	2
47297	Isotope_Atom_Count	0
8840	Hydrogen_Bond_Acceptor_Count	3
83909	Molecular_Weight	360.3
725300	Isotope_Atom_Count	0
398641	XLogP3-AA	2.2
22022636	Rotatable_Bond_Count	0
11363	Undefined_Atom_Stereo_Count	0
11467403	Structure_Complexity	683
20617585	Mono_Isotopic_Weight	93.021463719
6505	Rotatable_Bond_Count	19
15036	Molecular_Weight	100.16
75195	XLogP3-AA	6.4
2796	XLogP3	3.3
97860	Structure_Complexity	322
13215601	Undefined_Bond_Stereo_Count	0
3792939	Rotatable_Bond_Count	0
15950376	Covalent_Unit_Count	1
91460	Rotatable_Bond_Count	1
34237	Undefined_Bond_Stereo_Count	0
222714	Defined_Bond_Stereo_Count	0
27668	Hydrogen_Bond_Donor_Count	0
7026090	Total_Formal_Charge	0
24823847	Total_Formal_Charge	0
8916	Mono_Isotopic_Weight	157.183049738
5702628	Hydrogen_Bond_Acceptor_Count	2
968645	Molecular_Weight	247.33
198790	Exact_Mass	373.94122
76156	Undefined_Bond_Stereo_Count	0
140181	Molecular_Weight	94.15
84653	Mono_Isotopic_Weight	199.99388650
6538999	Undefined_Atom_Stereo_Count	1
70697656	Undefined_Bond_Stereo_Count	0
4143	TPSA	104
197341	Rotatable_Bond_Count	5
642324	XLogP3-AA	1.4
16687131	Defined_Atom_Stereo_Count	0
84602	Molecular_Weight	596.5
16129706	Covalent_Unit_Count	1
22841634	Non-hydrogen_Atom_Count	16
119171	Mono_Isotopic_Weight	631.24473756
72416	TPSA	46.2
426756	Hydrogen_Bond_Donor_Count	4
4423	Mono_Isotopic_Weight	311.15214353
5289296	Total_Formal_Charge	0
10866	Hydrogen_Bond_Donor_Count	0
23695324	Exact_Mass	305.99225140
430914	Isotope_Atom_Count	0
14965861	Defined_Atom_Stereo_Count	0
23662384	Covalent_Unit_Count	3
11751549	Undefined_Bond_Stereo_Count	0
9543050	Defined_Bond_Stereo_Count	1
9577585	Tautomer_Count	5
5142487	XLogP3-AA	0.6
40361	Defined_Bond_Stereo_Count	0
213049	Molecular_Weight	465.4
71325379	Exact_Mass	108.057514874
439178	Covalent_Unit_Count	1
12692921	Defined_Atom_Stereo_Count	0
11228773	Rotatable_Bond_Count	0
9989264	TPSA	17.8
391144	Hydrogen_Bond_Donor_Count	2
69507	Undefined_Atom_Stereo_Count	0
91248258	Non-hydrogen_Atom_Count	7
68783	Exact_Mass	328.20384475
53682689	TPSA	17.1
650960	Non-hydrogen_Atom_Count	34
57913	Non-hydrogen_Atom_Count	8
101916	Rotatable_Bond_Count	0
441350	Rotatable_Bond_Count	3
5906	Non-hydrogen_Atom_Count	12
6918446	Isotope_Atom_Count	0
1238	Isotope_Atom_Count	0
11789176	Undefined_Bond_Stereo_Count	0
102201652	Isotope_Atom_Count	0
59064	Undefined_Bond_Stereo_Count	0
444237	Structure_Complexity	2230
2973198	Isotope_Atom_Count	0
59896759	Undefined_Atom_Stereo_Count	0
9949648	Covalent_Unit_Count	1
99940264	Defined_Atom_Stereo_Count	10
142965989	Rotatable_Bond_Count	6
38089	Undefined_Bond_Stereo_Count	0
107	Undefined_Bond_Stereo_Count	0
14815788	Total_Formal_Charge	0
23622962	Isotope_Atom_Count	0
135475930	Total_Formal_Charge	0
3033017	Covalent_Unit_Count	1
24775	Molecular_Weight	294.4
133665799	TPSA	40.5
42993	Mono_Isotopic_Weight	339.14705815
1736	Undefined_Atom_Stereo_Count	3
658645	Hydrogen_Bond_Donor_Count	2
9554198	Undefined_Atom_Stereo_Count	2
5311201	Defined_Bond_Stereo_Count	0
6549	Molecular_Weight	154.25
44267026	Structure_Complexity	177
14794988	Molecular_Weight	111.15
3195	Hydrogen_Bond_Donor_Count	0
3911	Isotope_Atom_Count	0
45358511	Molecular_Weight	620.6
446873	Rotatable_Bond_Count	3
9939892	XLogP3-AA	7.1
5645	Mono_Isotopic_Weight	392.29265975
90894106	Undefined_Atom_Stereo_Count	0
15026073	TPSA	30.8
131841462	Isotope_Atom_Count	0
135400456	Total_Formal_Charge	0
126961192	Rotatable_Bond_Count	11
909	TPSA	113
4996	Undefined_Atom_Stereo_Count	0
267493	Molecular_Weight	259.22
536549	Rotatable_Bond_Count	0
20465494	Structure_Complexity	84.1
41043	Undefined_Atom_Stereo_Count	0
51235	Hydrogen_Bond_Donor_Count	2
11541153	Defined_Bond_Stereo_Count	0
86289926	Exact_Mass	989.56294335
87243	Mono_Isotopic_Weight	210.05282342
134812477	Non-hydrogen_Atom_Count	46
53736	Exact_Mass	244.157563266
9795434	XLogP3-AA	2.2
135398597	Total_Formal_Charge	0
70864	Total_Formal_Charge	0
56949966	Total_Formal_Charge	0
122706054	Hydrogen_Bond_Acceptor_Count	20
43704	Molecular_Weight	295.29
11953947	Exact_Mass	910.5458778
215932	Undefined_Atom_Stereo_Count	0
12882458	Undefined_Bond_Stereo_Count	0
11616111	Mono_Isotopic_Weight	278.0128057
22836366	Total_Formal_Charge	0
704316	XLogP3-AA	2
118733511	Undefined_Bond_Stereo_Count	0
13704283	Undefined_Bond_Stereo_Count	0
10154033	Hydrogen_Bond_Acceptor_Count	4
163934	Molecular_Weight	170.25
24860971	Covalent_Unit_Count	1
527511	Molecular_Weight	109.17
147020	TPSA	26.3
15910	Hydrogen_Bond_Acceptor_Count	2
5077	Rotatable_Bond_Count	5
68366899	Structure_Complexity	382
62118	Defined_Atom_Stereo_Count	0
12037	Mono_Isotopic_Weight	354.13617637
2999413	Non-hydrogen_Atom_Count	23
25094462	Structure_Complexity	913
154107800	Hydrogen_Bond_Acceptor_Count	2
10491069	Defined_Bond_Stereo_Count	0
11054313	Hydrogen_Bond_Donor_Count	0
443158	Exact_Mass	154.135765193
91849037	Covalent_Unit_Count	1
29863	Rotatable_Bond_Count	2
22675	Hydrogen_Bond_Acceptor_Count	2
156588860	Rotatable_Bond_Count	9
123854	Isotope_Atom_Count	0
91543	Mono_Isotopic_Weight	493.71285
13394149	Mono_Isotopic_Weight	429.05183761
96327588	Exact_Mass	527.23263824
49985	Rotatable_Bond_Count	3
44565798	Undefined_Bond_Stereo_Count	0
38035	Exact_Mass	255.961333
447626	Defined_Bond_Stereo_Count	0
23519852	Undefined_Bond_Stereo_Count	0
31352	Structure_Complexity	153
7220	Defined_Atom_Stereo_Count	0
93544	Covalent_Unit_Count	1
57394020	Undefined_Bond_Stereo_Count	0
6427574	Hydrogen_Bond_Acceptor_Count	2
11000	Covalent_Unit_Count	1
139590596	Defined_Atom_Stereo_Count	8
9852746	Defined_Atom_Stereo_Count	0
53810451	Undefined_Bond_Stereo_Count	0
31099	Tautomer_Count	2
181674	Rotatable_Bond_Count	1
69215	Isotope_Atom_Count	0
644109	Covalent_Unit_Count	1
873450	Non-hydrogen_Atom_Count	23
123248	Mono_Isotopic_Weight	70.041864811
85237	Hydrogen_Bond_Donor_Count	1
129628397	Undefined_Bond_Stereo_Count	0
134692058	Covalent_Unit_Count	1
5081	Non-hydrogen_Atom_Count	24
5328017	Total_Formal_Charge	0
448133	Total_Formal_Charge	1
6991966	Undefined_Bond_Stereo_Count	0
65960	Non-hydrogen_Atom_Count	18
10987215	Isotope_Atom_Count	0
4454	Defined_Atom_Stereo_Count	0
14416477	Defined_Atom_Stereo_Count	0
3364477	Mono_Isotopic_Weight	112.063662883
7909	Total_Formal_Charge	0
6455792	TPSA	62.8
188205	Covalent_Unit_Count	1
67511	Defined_Bond_Stereo_Count	0
71679	Total_Formal_Charge	0
126	TPSA	37.3
13385	Rotatable_Bond_Count	0
124149361	Structure_Complexity	40.7
5288595	Hydrogen_Bond_Donor_Count	2
70687387	TPSA	91.9
5281088	Undefined_Atom_Stereo_Count	0
18713001	Mono_Isotopic_Weight	99.104799419
11744314	Mono_Isotopic_Weight	446.1608497
347476	Structure_Complexity	70.9
20188	Molecular_Weight	341.7
440141	Tautomer_Count	3
477	Undefined_Atom_Stereo_Count	4
7047	Structure_Complexity	111
54217822	Exact_Mass	122.00376522
16154490	Exact_Mass	1663.4923528
692726	Undefined_Bond_Stereo_Count	1
975767	Rotatable_Bond_Count	4
2346	Structure_Complexity	132
6438895	Isotope_Atom_Count	0
6699	Rotatable_Bond_Count	4
9886086	Exact_Mass	378.10718492
69508	Structure_Complexity	304
35784	TPSA	20.2
12068306	Defined_Bond_Stereo_Count	0
66141	Rotatable_Bond_Count	1
54000569	Defined_Atom_Stereo_Count	0
24769	Isotope_Atom_Count	0
18459757	Defined_Atom_Stereo_Count	0
448972	Mono_Isotopic_Weight	433.1316954
9802545	Rotatable_Bond_Count	4
72153	Structure_Complexity	208
16404350	Exact_Mass	1201.84136802
3522273	Molecular_Weight	449.6
406793	Molecular_Weight	527.6
9883778	Hydrogen_Bond_Donor_Count	2
8439	Exact_Mass	162.068079557
443873	Tautomer_Count	2
250716	TPSA	105
16599	Rotatable_Bond_Count	5
10219674	Defined_Atom_Stereo_Count	4
131700865	Hydrogen_Bond_Donor_Count	2
38333	Mono_Isotopic_Weight	177.042593085
28292	Structure_Complexity	276
139589209	Covalent_Unit_Count	1
8128	Hydrogen_Bond_Donor_Count	0
54568416	Mono_Isotopic_Weight	113.084063974
91754	Undefined_Bond_Stereo_Count	0
19994812	Hydrogen_Bond_Donor_Count	1
1034	Defined_Atom_Stereo_Count	0
16736529	Molecular_Weight	318.76
2372	Tautomer_Count	1
54676840	Undefined_Bond_Stereo_Count	0
534954	Total_Formal_Charge	0
72187525	Undefined_Bond_Stereo_Count	0
20277173	Undefined_Atom_Stereo_Count	0
457801	Mono_Isotopic_Weight	414.386166214
59058905	Hydrogen_Bond_Donor_Count	0
54456063	XLogP3-AA	0.7
54421	Mono_Isotopic_Weight	366.15795719
67503	Isotope_Atom_Count	0
3002190	Non-hydrogen_Atom_Count	58
9687	Non-hydrogen_Atom_Count	32
76543883	Total_Formal_Charge	0
56949747	Exact_Mass	417.20524173
446986	Structure_Complexity	1440
1548994	Undefined_Bond_Stereo_Count	0
7558	XLogP3	3.5
13804427	Structure_Complexity	91.9
10082421	TPSA	46.5
69240	Covalent_Unit_Count	1
6604909	Defined_Atom_Stereo_Count	1
12746	Defined_Atom_Stereo_Count	0
1515	Tautomer_Count	1
40466968	Defined_Atom_Stereo_Count	1
74353448	Hydrogen_Bond_Donor_Count	4
12563	Defined_Atom_Stereo_Count	0
4242975	Molecular_Weight	257.33
74431	Molecular_Weight	269.4
73280	Undefined_Bond_Stereo_Count	0
7315	XLogP3-AA	4.2
8373	Defined_Atom_Stereo_Count	0
67291675	Defined_Atom_Stereo_Count	0
86566	Defined_Bond_Stereo_Count	0
91589206	Undefined_Atom_Stereo_Count	1
50878565	Molecular_Weight	452.5
91770	Non-hydrogen_Atom_Count	20
44330586	Mono_Isotopic_Weight	266.10150494
29935	Mono_Isotopic_Weight	81.057849228
91865076	Undefined_Bond_Stereo_Count	0
23335962	Defined_Atom_Stereo_Count	0
79323706	Undefined_Bond_Stereo_Count	0
5470	Exact_Mass	312.208930132
13584550	Defined_Atom_Stereo_Count	0
85859899	Mono_Isotopic_Weight	96.021129366
162268	Defined_Bond_Stereo_Count	0
44246724	Rotatable_Bond_Count	4
16129706	Mono_Isotopic_Weight	1636.71665551
41245	Mono_Isotopic_Weight	318.230728204
3590	Hydrogen_Bond_Acceptor_Count	2
58996537	Hydrogen_Bond_Donor_Count	1
3032818	Covalent_Unit_Count	1
11957756	Undefined_Bond_Stereo_Count	0
16769	Total_Formal_Charge	0
27368	Non-hydrogen_Atom_Count	19
6538983	XLogP3-AA	4.9
121599	Hydrogen_Bond_Donor_Count	0
12933751	Covalent_Unit_Count	1
4122	Defined_Bond_Stereo_Count	0
53316474	Undefined_Atom_Stereo_Count	0
25132952	Rotatable_Bond_Count	4
15485370	Isotope_Atom_Count	0
9737	Defined_Bond_Stereo_Count	0
57400481	Structure_Complexity	824
25352	Total_Formal_Charge	0
86739056	XLogP3-AA	3
12771867	Defined_Bond_Stereo_Count	0
118855590	Hydrogen_Bond_Acceptor_Count	3
21817604	Non-hydrogen_Atom_Count	7
123875607	Isotope_Atom_Count	0
11528340	Mono_Isotopic_Weight	118.074227566
163143	Hydrogen_Bond_Acceptor_Count	10
82658	Molecular_Weight	140.18
5362858	Undefined_Atom_Stereo_Count	1
22715624	Mono_Isotopic_Weight	84.057514874
135409836	Defined_Atom_Stereo_Count	2
85824359	Exact_Mass	108.093900383
105426928	Non-hydrogen_Atom_Count	7
398654	XLogP3-AA	0.5
73695606	TPSA	55.1
73695606	Hydrogen_Bond_Donor_Count	2
5459319	Exact_Mass	525.24750046
87355672	Non-hydrogen_Atom_Count	8
69814	Undefined_Bond_Stereo_Count	1
15767	Hydrogen_Bond_Donor_Count	0
2125	Rotatable_Bond_Count	4
69251	TPSA	17.1
442501	Tautomer_Count	1
23688907	Molecular_Weight	190.09
131751341	Molecular_Weight	513.5
3035541	Hydrogen_Bond_Acceptor_Count	4
15575619	Mono_Isotopic_Weight	752.41490014
25052023	Rotatable_Bond_Count	6
6440764	Hydrogen_Bond_Acceptor_Count	10
20729555	Undefined_Bond_Stereo_Count	0
49806720	Covalent_Unit_Count	1
118460828	Molecular_Weight	104.15
22221797	Exact_Mass	182.018755
13485	Structure_Complexity	464
43002	Hydrogen_Bond_Acceptor_Count	5
56962215	Hydrogen_Bond_Donor_Count	1
66576989	Undefined_Atom_Stereo_Count	0
16106825	Mono_Isotopic_Weight	108.057514874
156588466	Non-hydrogen_Atom_Count	44
9361	Defined_Bond_Stereo_Count	0
91986	Hydrogen_Bond_Donor_Count	0
87703	Undefined_Bond_Stereo_Count	0
91769	Tautomer_Count	2
63959	Defined_Atom_Stereo_Count	0
12295391	Non-hydrogen_Atom_Count	8
3086172	TPSA	59.3
96424	Undefined_Bond_Stereo_Count	1
61177	Undefined_Bond_Stereo_Count	0
71849	Undefined_Atom_Stereo_Count	0
12441297	Defined_Bond_Stereo_Count	0
101828545	Undefined_Bond_Stereo_Count	0
104553443	Defined_Atom_Stereo_Count	0
34633	Covalent_Unit_Count	1
135513267	Total_Formal_Charge	0
6604889	Hydrogen_Bond_Donor_Count	1
14366068	Defined_Bond_Stereo_Count	0
23673604	Non-hydrogen_Atom_Count	24
21719984	Mono_Isotopic_Weight	116.083729621
14906718	Hydrogen_Bond_Donor_Count	2
14453670	Rotatable_Bond_Count	1
52109	Mono_Isotopic_Weight	358.0963313
70321834	Isotope_Atom_Count	0
6848	Covalent_Unit_Count	1
430245	TPSA	61.7
22097456	Total_Formal_Charge	0
8296	Undefined_Bond_Stereo_Count	0
9961878	Molecular_Weight	719.6
4642	Mono_Isotopic_Weight	344.20999276
2062246	Non-hydrogen_Atom_Count	21
63624	Exact_Mass	480.0989181
1139	Molecular_Weight	322.21
16683704	Total_Formal_Charge	0
328257	Exact_Mass	97.052763847
193504	Rotatable_Bond_Count	3
1390	TPSA	17.8
451239	TPSA	0
15942852	Mono_Isotopic_Weight	403.345029678
22627013	Hydrogen_Bond_Acceptor_Count	2
31401	Isotope_Atom_Count	0
122239	Hydrogen_Bond_Donor_Count	1
1310	Isotope_Atom_Count	0
2759255	XLogP3-AA	0.1
144608711	Hydrogen_Bond_Donor_Count	1
53316388	Undefined_Atom_Stereo_Count	0
140048	Molecular_Weight	120.17
2593	Defined_Bond_Stereo_Count	0
57257887	Total_Formal_Charge	0
656909	Molecular_Weight	308.44
164512	Isotope_Atom_Count	0
156882	XLogP3-AA	5.6
72466	Mono_Isotopic_Weight	1511.4785360
146345448	TPSA	30.5
411817	XLogP3	3.7
519834	Undefined_Bond_Stereo_Count	0
50514	Rotatable_Bond_Count	9
3068143	Hydrogen_Bond_Donor_Count	3
53935056	Structure_Complexity	37.1
5329020	Defined_Atom_Stereo_Count	0
8617	Structure_Complexity	230
25271892	Exact_Mass	315.08033852
73200935	Isotope_Atom_Count	0
159271	Total_Formal_Charge	0
3234	Defined_Atom_Stereo_Count	0
2088	Tautomer_Count	1
138397	Mono_Isotopic_Weight	98.048012819
7403	Undefined_Atom_Stereo_Count	0
444302	TPSA	104
20849107	Mono_Isotopic_Weight	353.23279915
643681	Total_Formal_Charge	0
91864743	Mono_Isotopic_Weight	521.8583111
17751002	Hydrogen_Bond_Acceptor_Count	5
10996	XLogP3-AA	1.3
6951525	Structure_Complexity	55.1
10254	Defined_Atom_Stereo_Count	0
198382	Undefined_Bond_Stereo_Count	0
6552009	Hydrogen_Bond_Donor_Count	1
170501	Defined_Bond_Stereo_Count	0
109198	Non-hydrogen_Atom_Count	32
55256	Tautomer_Count	3
10753	Exact_Mass	253.01572689
20791685	Isotope_Atom_Count	0
145640699	Total_Formal_Charge	0
71148	Non-hydrogen_Atom_Count	28
68566969	Hydrogen_Bond_Acceptor_Count	1
550	TPSA	129
5282367	Undefined_Atom_Stereo_Count	0
17980829	Molecular_Weight	199.66
22321577	Undefined_Atom_Stereo_Count	1
485092	Non-hydrogen_Atom_Count	7
91824751	Hydrogen_Bond_Acceptor_Count	7
587322	Hydrogen_Bond_Acceptor_Count	4
13925	XLogP3-AA	4.4
10636633	Non-hydrogen_Atom_Count	19
57346808	Defined_Bond_Stereo_Count	0
423375	Mono_Isotopic_Weight	171.08301860
6199	XLogP3-AA	2.3
16213473	Molecular_Weight	672.9
23448613	Undefined_Atom_Stereo_Count	0
16654936	Hydrogen_Bond_Donor_Count	5
165588672	Total_Formal_Charge	0
20219	Undefined_Atom_Stereo_Count	0
94647	Defined_Bond_Stereo_Count	0
121395450	Non-hydrogen_Atom_Count	21
4630913	Defined_Atom_Stereo_Count	0
11659	Mono_Isotopic_Weight	239.77438
23082568	Molecular_Weight	259.17
87853465	Isotope_Atom_Count	0
160932	Undefined_Atom_Stereo_Count	0
68921	Defined_Atom_Stereo_Count	7
68236	Non-hydrogen_Atom_Count	12
68933	Exact_Mass	264.06809681
88142236	Defined_Atom_Stereo_Count	0
22725651	Exact_Mass	99.032028402
10997120	Molecular_Weight	140.65
3984	Structure_Complexity	458
10237241	Undefined_Atom_Stereo_Count	0
53442201	XLogP3-AA	2.6
151994	Hydrogen_Bond_Donor_Count	0
5068681	Total_Formal_Charge	0
517055	Mono_Isotopic_Weight	144.01872368
66776828	Undefined_Bond_Stereo_Count	0
89229710	Isotope_Atom_Count	0
8443	Tautomer_Count	3
86200	Non-hydrogen_Atom_Count	17
51346808	XLogP3-AA	3
96380	Non-hydrogen_Atom_Count	15
21180	Non-hydrogen_Atom_Count	16
53765848	Defined_Bond_Stereo_Count	0
52948810	Molecular_Weight	362.8
155424	Mono_Isotopic_Weight	154.03784206
20883	Defined_Bond_Stereo_Count	0
140248	Hydrogen_Bond_Acceptor_Count	5
16084	Defined_Atom_Stereo_Count	0
228864	Hydrogen_Bond_Acceptor_Count	2
10005402	Undefined_Bond_Stereo_Count	0
7017	Molecular_Weight	170.21
4520	Molecular_Weight	176.22
11253	Non-hydrogen_Atom_Count	6
93055	Hydrogen_Bond_Donor_Count	2
78747	Defined_Atom_Stereo_Count	0
15485370	Undefined_Bond_Stereo_Count	0
699	Defined_Atom_Stereo_Count	0
7252	Hydrogen_Bond_Donor_Count	2
92258	Isotope_Atom_Count	0
62418	TPSA	63.3
65790	Rotatable_Bond_Count	4
135460987	Defined_Bond_Stereo_Count	0
154724068	Non-hydrogen_Atom_Count	12
117569444	Hydrogen_Bond_Acceptor_Count	2
535823	Hydrogen_Bond_Donor_Count	0
22385729	Hydrogen_Bond_Donor_Count	2
60209624	Hydrogen_Bond_Donor_Count	2
16682953	Defined_Bond_Stereo_Count	0
67938	Tautomer_Count	1
46782942	Mono_Isotopic_Weight	513.7957108
138492	Tautomer_Count	3
16704	Structure_Complexity	92.5
27893	Non-hydrogen_Atom_Count	8
76974846	Defined_Atom_Stereo_Count	2
32169	Defined_Bond_Stereo_Count	0
32872	XLogP3	4.1
44521016	Rotatable_Bond_Count	7
74356	Total_Formal_Charge	0
23164725	Total_Formal_Charge	0
22832145	Non-hydrogen_Atom_Count	64
74710	Non-hydrogen_Atom_Count	9
9812414	Rotatable_Bond_Count	10
5572	Hydrogen_Bond_Donor_Count	1
546996	Structure_Complexity	64.6
76646	Undefined_Bond_Stereo_Count	0
75306	Undefined_Atom_Stereo_Count	0
18459757	Hydrogen_Bond_Acceptor_Count	2
656833	Undefined_Bond_Stereo_Count	0
5282251	Mono_Isotopic_Weight	429.97768687
5288606	Total_Formal_Charge	0
40463608	Defined_Atom_Stereo_Count	0
6918309	Isotope_Atom_Count	0
84078	Hydrogen_Bond_Acceptor_Count	7
11571906	Hydrogen_Bond_Donor_Count	5
12009213	Hydrogen_Bond_Donor_Count	0
5469424	Non-hydrogen_Atom_Count	25
25078013	Mono_Isotopic_Weight	1671.90967533
5362124	Hydrogen_Bond_Acceptor_Count	6
8715	Structure_Complexity	97.1
12362	Undefined_Atom_Stereo_Count	0
10869981	XLogP3	3.5
15596187	Hydrogen_Bond_Acceptor_Count	7
31260	Undefined_Bond_Stereo_Count	0
89359	Undefined_Atom_Stereo_Count	2
7381	Defined_Bond_Stereo_Count	0
117957810	Covalent_Unit_Count	1
15331	Undefined_Bond_Stereo_Count	0
36559	Molecular_Weight	236.4
15758	Total_Formal_Charge	0
12628168	Mono_Isotopic_Weight	112.088815002
24848920	Defined_Bond_Stereo_Count	0
516893	Exact_Mass	99.95627537
64965	Rotatable_Bond_Count	3
68072	Hydrogen_Bond_Acceptor_Count	4
13270940	Defined_Atom_Stereo_Count	0
99334	Covalent_Unit_Count	1
20230230	Undefined_Atom_Stereo_Count	0
445858	Covalent_Unit_Count	1
21439	Defined_Bond_Stereo_Count	0
123979022	Undefined_Bond_Stereo_Count	0
23279304	Defined_Bond_Stereo_Count	0
5311211	Covalent_Unit_Count	1
13574952	Rotatable_Bond_Count	1
59296114	Defined_Atom_Stereo_Count	1
1232	Defined_Bond_Stereo_Count	0
9954082	Defined_Bond_Stereo_Count	0
6453851	Total_Formal_Charge	1
13858	Molecular_Weight	109.13
6099959	Mono_Isotopic_Weight	449.9621801
94190	Defined_Bond_Stereo_Count	0
21225236	Mono_Isotopic_Weight	99.032028402
9954944	Exact_Mass	441.16483347
151446	Defined_Atom_Stereo_Count	4
11607904	Defined_Bond_Stereo_Count	0
46	Isotope_Atom_Count	0
11178236	Hydrogen_Bond_Donor_Count	0
53316376	Hydrogen_Bond_Acceptor_Count	10
274074	TPSA	15.6
243	Structure_Complexity	104
44462985	Hydrogen_Bond_Donor_Count	0
44560771	XLogP3-AA	2
65562	TPSA	259
87481476	Defined_Atom_Stereo_Count	0
6552009	Molecular_Weight	154.25
143007	Undefined_Atom_Stereo_Count	0
42334	Defined_Atom_Stereo_Count	0
56677275	TPSA	100
56955180	Undefined_Bond_Stereo_Count	0
668263	Undefined_Bond_Stereo_Count	0
104798	Total_Formal_Charge	2
58154	Undefined_Atom_Stereo_Count	0
28951015	Undefined_Atom_Stereo_Count	0
13104807	Non-hydrogen_Atom_Count	43
13694931	Total_Formal_Charge	0
529229	TPSA	49.7
2383	Non-hydrogen_Atom_Count	9
15765924	Covalent_Unit_Count	1
123671885	Exact_Mass	102.068079557
7943	Isotope_Atom_Count	0
101454647	Non-hydrogen_Atom_Count	26
5284597	TPSA	37.3
441328	Undefined_Atom_Stereo_Count	0
54587655	Rotatable_Bond_Count	4
61892972	Defined_Bond_Stereo_Count	0
74685737	Covalent_Unit_Count	1
11078	Total_Formal_Charge	0
119058385	Defined_Bond_Stereo_Count	0
59899303	Non-hydrogen_Atom_Count	8
274082	Exact_Mass	548.12131415
13190	Exact_Mass	154.172150702
657378	Covalent_Unit_Count	1
24750	Structure_Complexity	115
5353466	Rotatable_Bond_Count	6
15709948	Undefined_Atom_Stereo_Count	0
123653016	Undefined_Atom_Stereo_Count	0
9624	Exact_Mass	179.85445
3286	Non-hydrogen_Atom_Count	19
5280608	Hydrogen_Bond_Donor_Count	2
9250	Covalent_Unit_Count	1
10333656	Total_Formal_Charge	0
5280335	Tautomer_Count	1
408	TPSA	33.2
2162	XLogP3	3
524766	Molecular_Weight	95.14
46835725	Tautomer_Count	1
3068840	Molecular_Weight	387.9
41583	Defined_Atom_Stereo_Count	0
5723	XLogP3-AA	2.2
45358040	Undefined_Bond_Stereo_Count	0
59736263	XLogP3-AA	0.6
94396	Total_Formal_Charge	0
49868036	Non-hydrogen_Atom_Count	93
11416654	TPSA	125
13046622	Undefined_Atom_Stereo_Count	0
5324584	XLogP3-AA	1.4
57398329	Hydrogen_Bond_Donor_Count	1
16760285	Non-hydrogen_Atom_Count	15
13855	Defined_Bond_Stereo_Count	0
3241	Molecular_Weight	249.31
6806	Molecular_Weight	556.86
24989869	Molecular_Weight	415.5
7635	XLogP3-AA	3.2
84640	Non-hydrogen_Atom_Count	8
53787407	Total_Formal_Charge	0
15092989	Hydrogen_Bond_Donor_Count	0
6604756	Defined_Atom_Stereo_Count	2
14957	Exact_Mass	548.27338086
12771867	Total_Formal_Charge	0
24848788	TPSA	65.8
34313	Defined_Atom_Stereo_Count	0
398739	Molecular_Weight	337.34
516872	Molecular_Weight	97.18
11476460	Covalent_Unit_Count	1
5311035	Covalent_Unit_Count	1
45410	Rotatable_Bond_Count	12
24473	Undefined_Atom_Stereo_Count	2
3012	Rotatable_Bond_Count	5
4054	TPSA	26
23352	Hydrogen_Bond_Acceptor_Count	1
299664	Tautomer_Count	36
159755	Rotatable_Bond_Count	3
7906	Hydrogen_Bond_Donor_Count	0
4359	Undefined_Atom_Stereo_Count	0
7806	Structure_Complexity	66.9
121098	Rotatable_Bond_Count	8
6603693	Isotope_Atom_Count	0
11127402	Non-hydrogen_Atom_Count	15
44310002	Covalent_Unit_Count	1
76672	Structure_Complexity	222
441476	Molecular_Weight	194.14
25006686	XLogP3-AA	4.7
43818	Structure_Complexity	372
79472	Molecular_Weight	445.3
13299177	Exact_Mass	94.078250319
58436	Molecular_Weight	278.39
132935795	Mono_Isotopic_Weight	199.10308534
1201	Defined_Atom_Stereo_Count	0
171257	Hydrogen_Bond_Donor_Count	3
8761	Undefined_Atom_Stereo_Count	0
6971016	Undefined_Bond_Stereo_Count	0
18726560	Covalent_Unit_Count	1
11867	Rotatable_Bond_Count	1
3960	Total_Formal_Charge	0
99068	Hydrogen_Bond_Acceptor_Count	2
131634493	Rotatable_Bond_Count	48
54712667	Total_Formal_Charge	0
535634	Exact_Mass	81.057849228
1470715	Defined_Bond_Stereo_Count	0
15774	Exact_Mass	481.20108287
9552071	Undefined_Bond_Stereo_Count	0
163050683	Undefined_Atom_Stereo_Count	0
681274	Undefined_Atom_Stereo_Count	0
642157	Molecular_Weight	121.16
66811197	Defined_Atom_Stereo_Count	0
92588	Non-hydrogen_Atom_Count	8
5354264	Exact_Mass	126.104465066
143337	Defined_Atom_Stereo_Count	0
44629525	XLogP3-AA	5.6
9860424	Defined_Bond_Stereo_Count	0
66494	Molecular_Weight	320.3
6537493	Mono_Isotopic_Weight	867.49802062
284314	Defined_Atom_Stereo_Count	0
80695	Non-hydrogen_Atom_Count	31
49288	Defined_Atom_Stereo_Count	0
20772203	Mono_Isotopic_Weight	110.048012819
81278	Hydrogen_Bond_Acceptor_Count	1
637584	Undefined_Atom_Stereo_Count	0
21859	Undefined_Bond_Stereo_Count	0
163	Mono_Isotopic_Weight	909.17820443
11095	Hydrogen_Bond_Acceptor_Count	6
10887857	Covalent_Unit_Count	1
87325	Covalent_Unit_Count	1
21863	Undefined_Bond_Stereo_Count	0
11957378	Structure_Complexity	755
444795	Total_Formal_Charge	0
53317992	Defined_Atom_Stereo_Count	0
13510025	Total_Formal_Charge	0
5463	Defined_Atom_Stereo_Count	0
51371732	Structure_Complexity	451
5743186	Molecular_Weight	703.8
12388	Covalent_Unit_Count	1
8494	XLogP3	1.4
6419964	Hydrogen_Bond_Donor_Count	1
19809513	Covalent_Unit_Count	1
56995913	TPSA	49.8
12320138	Hydrogen_Bond_Donor_Count	0
54576693	Non-hydrogen_Atom_Count	28
18603	Mono_Isotopic_Weight	243.87345
98053103	Undefined_Atom_Stereo_Count	0
10686	Exact_Mass	120.093900383
67420384	TPSA	38.1
7196	XLogP3	0.4
18381542	Non-hydrogen_Atom_Count	28
135414248	Defined_Atom_Stereo_Count	0
590130	Hydrogen_Bond_Acceptor_Count	2
11954389	Rotatable_Bond_Count	5
486	Undefined_Bond_Stereo_Count	0
24721356	Structure_Complexity	2960
160419	TPSA	80.3
86873	Undefined_Atom_Stereo_Count	1
11354606	Covalent_Unit_Count	1
71517869	Non-hydrogen_Atom_Count	34
91713	Covalent_Unit_Count	1
10455	Total_Formal_Charge	0
543882	Isotope_Atom_Count	0
541087	Non-hydrogen_Atom_Count	23
31217	Defined_Bond_Stereo_Count	0
1471380	Rotatable_Bond_Count	4
17745	Isotope_Atom_Count	0
9886086	Covalent_Unit_Count	1
397614	Total_Formal_Charge	0
51356843	Defined_Bond_Stereo_Count	0
517985	Total_Formal_Charge	0
77813014	Non-hydrogen_Atom_Count	8
14796866	Defined_Atom_Stereo_Count	0
45359105	Molecular_Weight	306.37
19933	Covalent_Unit_Count	1
13728	Hydrogen_Bond_Donor_Count	0
23369154	Structure_Complexity	82.1
61012	Hydrogen_Bond_Donor_Count	0
115811143	Mono_Isotopic_Weight	110.073164938
56842239	Rotatable_Bond_Count	40
87661	Mono_Isotopic_Weight	349.22867977
3045381	Hydrogen_Bond_Acceptor_Count	6
69851796	Defined_Bond_Stereo_Count	0
613570	TPSA	12.9
22486473	Undefined_Bond_Stereo_Count	0
94381	TPSA	58.2
121494073	Rotatable_Bond_Count	31
39066	Isotope_Atom_Count	0
58051	Hydrogen_Bond_Acceptor_Count	4
101033892	Covalent_Unit_Count	1
72187569	Structure_Complexity	557
169607	Undefined_Atom_Stereo_Count	0
779179	Hydrogen_Bond_Acceptor_Count	5
55290981	Defined_Atom_Stereo_Count	0
9890377	Undefined_Atom_Stereo_Count	2
6451148	Molecular_Weight	247.25
144813235	TPSA	52.3
46911956	Total_Formal_Charge	0
1548971	Exact_Mass	410.17676144
3719	Structure_Complexity	707
24824	Rotatable_Bond_Count	0
1684	Undefined_Bond_Stereo_Count	0
4231972	Molecular_Weight	110.11
71651624	Total_Formal_Charge	0
352309	Exact_Mass	273.266779359
12140167	Mono_Isotopic_Weight	110.03409409
12648109	TPSA	20.2
971337	Exact_Mass	337.0869564
11906	Total_Formal_Charge	0
12209	Structure_Complexity	88.9
572254	Hydrogen_Bond_Acceptor_Count	2
11455973	Structure_Complexity	839
4344	Molecular_Weight	105.16
37612	XLogP3-AA	5.1
198015	Isotope_Atom_Count	0
66509087	Hydrogen_Bond_Acceptor_Count	12
35766	Total_Formal_Charge	0
16755636	Exact_Mass	63.998055901
10675	Mono_Isotopic_Weight	398.1509537
449215	Non-hydrogen_Atom_Count	7
7725	Exact_Mass	120.057514874
10987299	Isotope_Atom_Count	0
7943	Undefined_Bond_Stereo_Count	0
56649463	Total_Formal_Charge	0
94179	Tautomer_Count	1
12228202	Rotatable_Bond_Count	0
114869	Hydrogen_Bond_Acceptor_Count	4
393602	Rotatable_Bond_Count	5
154825561	Total_Formal_Charge	0
118596336	Total_Formal_Charge	0
90472388	Covalent_Unit_Count	2
362	Hydrogen_Bond_Donor_Count	2
96780	Non-hydrogen_Atom_Count	17
601880	XLogP3	1.8
13249050	Undefined_Atom_Stereo_Count	0
11595	Covalent_Unit_Count	1
46078	Isotope_Atom_Count	0
1505	Non-hydrogen_Atom_Count	19
23642	Mono_Isotopic_Weight	140.02958605
10814237	Mono_Isotopic_Weight	470.33960994
6992028	Molecular_Weight	416.5
15325996	Exact_Mass	95.037113783
91495606	Non-hydrogen_Atom_Count	8
13245711	Rotatable_Bond_Count	0
88267	Rotatable_Bond_Count	2
3464	Rotatable_Bond_Count	7
657087	Defined_Atom_Stereo_Count	1
70789955	Total_Formal_Charge	0
3002	Mono_Isotopic_Weight	735.14313908
28540	Rotatable_Bond_Count	4
11672659	Molecular_Weight	98.14
146571	Rotatable_Bond_Count	6
23663404	Undefined_Atom_Stereo_Count	1
24883	Molecular_Weight	110.97
101401747	Rotatable_Bond_Count	3
3796640	Undefined_Bond_Stereo_Count	0
158781	Total_Formal_Charge	0
10993	XLogP3-AA	1.3
14647552	Exact_Mass	133.146664230
17356	Undefined_Atom_Stereo_Count	0
54602348	Hydrogen_Bond_Acceptor_Count	2
3083020	Rotatable_Bond_Count	0
8304	Non-hydrogen_Atom_Count	13
85626	Total_Formal_Charge	0
40933	Non-hydrogen_Atom_Count	27
61179	Molecular_Weight	345.65
101602193	Molecular_Weight	666.9
57514725	Mono_Isotopic_Weight	451.97248157
13242839	Covalent_Unit_Count	1
6584	Isotope_Atom_Count	0
31263	Rotatable_Bond_Count	4
59810317	Non-hydrogen_Atom_Count	7
5173	Structure_Complexity	164
16637	Hydrogen_Bond_Acceptor_Count	1
44125988	Molecular_Weight	366.5
30209	Defined_Atom_Stereo_Count	0
12304	Covalent_Unit_Count	1
7020237	Defined_Atom_Stereo_Count	0
83535	Hydrogen_Bond_Acceptor_Count	7
98648	Hydrogen_Bond_Donor_Count	1
31767	Covalent_Unit_Count	1
12271341	TPSA	12.5
6742	Structure_Complexity	605
903069	Molecular_Weight	286.17
60203	Defined_Atom_Stereo_Count	0
14306122	Exact_Mass	370.30830982
25128834	XLogP3-AA	1.4
57023262	Hydrogen_Bond_Acceptor_Count	2
71210615	Structure_Complexity	382
61199	Mono_Isotopic_Weight	142.062994177
64402	Undefined_Atom_Stereo_Count	5
8050	Total_Formal_Charge	0
50397	XLogP3-AA	2
60150330	TPSA	63.3
6921840	Non-hydrogen_Atom_Count	12
21899743	Total_Formal_Charge	0
5358941	Total_Formal_Charge	0
18622368	Exact_Mass	113.058911855
3323161	Rotatable_Bond_Count	1
97697	TPSA	29
12089	Covalent_Unit_Count	1
11115809	TPSA	235
24974448	Total_Formal_Charge	0
90943885	TPSA	0
1004	Mono_Isotopic_Weight	97.97689557
91506	Exact_Mass	911.15746899
61100	Undefined_Bond_Stereo_Count	0
16129576	TPSA	107
45358084	Total_Formal_Charge	0
447451	Tautomer_Count	30
11604525	Hydrogen_Bond_Acceptor_Count	6
13879722	Total_Formal_Charge	0
12931639	Defined_Bond_Stereo_Count	0
46204763	Undefined_Atom_Stereo_Count	0
21467	Undefined_Atom_Stereo_Count	1
71661882	Hydrogen_Bond_Donor_Count	1
136419	Structure_Complexity	409
2405	Isotope_Atom_Count	0
20623561	Undefined_Bond_Stereo_Count	0
5366149	Isotope_Atom_Count	0
637776	Hydrogen_Bond_Donor_Count	0
5362456	Total_Formal_Charge	0
55939	Hydrogen_Bond_Donor_Count	1
95496	Molecular_Weight	195.20
80478	Structure_Complexity	298
192711	Non-hydrogen_Atom_Count	22
12648279	Hydrogen_Bond_Donor_Count	0
28649	Non-hydrogen_Atom_Count	15
71795	Mono_Isotopic_Weight	324.183778013
163640634	Isotope_Atom_Count	0
124427842	Total_Formal_Charge	0
57461922	Undefined_Bond_Stereo_Count	0
98044588	Defined_Bond_Stereo_Count	0
162908	Covalent_Unit_Count	1
6102820	Hydrogen_Bond_Acceptor_Count	5
529275	XLogP3-AA	3.1
10975412	Molecular_Weight	97.12
6426740	Covalent_Unit_Count	1
71825	Defined_Bond_Stereo_Count	0
92154	Non-hydrogen_Atom_Count	14
71311215	Isotope_Atom_Count	0
58657603	TPSA	98.7
9518	Hydrogen_Bond_Donor_Count	0
70690020	Exact_Mass	417.21647512
91419082	TPSA	9.2
11979316	Exact_Mass	2138.8695618
12738	Hydrogen_Bond_Donor_Count	0
70190	Covalent_Unit_Count	1
13170	Defined_Atom_Stereo_Count	0
5859	Defined_Bond_Stereo_Count	0
11520	Isotope_Atom_Count	0
33251	Covalent_Unit_Count	1
133083907	TPSA	70
441401	Defined_Bond_Stereo_Count	0
4077	Hydrogen_Bond_Acceptor_Count	4
70580528	Rotatable_Bond_Count	2
47965	Non-hydrogen_Atom_Count	25
83822	Isotope_Atom_Count	0
4630917	Exact_Mass	245.177964357
129797817	Covalent_Unit_Count	1
11593706	Hydrogen_Bond_Acceptor_Count	5
85538179	Rotatable_Bond_Count	0
89371029	TPSA	38
71681166	Isotope_Atom_Count	0
54760	XLogP3-AA	2.3
79717	Undefined_Atom_Stereo_Count	0
13015	Mono_Isotopic_Weight	137.0032268
23635364	Hydrogen_Bond_Acceptor_Count	2
55250	TPSA	87.9
52083990	Isotope_Atom_Count	0
6918509	XLogP3-AA	3.1
668744	Undefined_Atom_Stereo_Count	0
14020410	Total_Formal_Charge	0
8196	Non-hydrogen_Atom_Count	13
7045767	TPSA	66.4
9889168	Structure_Complexity	252
19002911	Undefined_Atom_Stereo_Count	0
11623676	Mono_Isotopic_Weight	305.152812238
54332589	Hydrogen_Bond_Donor_Count	0
11263485	TPSA	3.2
208898	TPSA	97.2
59896759	Defined_Atom_Stereo_Count	0
83952	Hydrogen_Bond_Acceptor_Count	14
45488106	Isotope_Atom_Count	0
5053	Isotope_Atom_Count	0
6101	Mono_Isotopic_Weight	172.01941529
90730816	Undefined_Atom_Stereo_Count	1
5255	Defined_Bond_Stereo_Count	0
6767	Molecular_Weight	350.4
71474517	Undefined_Atom_Stereo_Count	0
68666	Mono_Isotopic_Weight	478.04393321
149086	Undefined_Atom_Stereo_Count	0
72199432	TPSA	133
30291	Molecular_Weight	278.39
4294	Rotatable_Bond_Count	4
25102936	Exact_Mass	426.13865659
593369	Covalent_Unit_Count	1
3058503	Isotope_Atom_Count	0
342681	Mono_Isotopic_Weight	392.19071386
53316474	Isotope_Atom_Count	0
447994	Mono_Isotopic_Weight	413.09108001
704481	Defined_Bond_Stereo_Count	0
8370	Defined_Bond_Stereo_Count	0
8818	Tautomer_Count	2
44592366	Structure_Complexity	404
6918939	Hydrogen_Bond_Donor_Count	2
10267	Undefined_Bond_Stereo_Count	0
31209	Total_Formal_Charge	0
1486	Covalent_Unit_Count	1
57286	Molecular_Weight	328.9
15565709	Hydrogen_Bond_Acceptor_Count	4
10892838	Hydrogen_Bond_Donor_Count	1
57468	Exact_Mass	348.2099045
4463	Undefined_Atom_Stereo_Count	0
58599	Hydrogen_Bond_Donor_Count	2
439255	Covalent_Unit_Count	1
12338288	Molecular_Weight	112.17
13649426	Mono_Isotopic_Weight	248.1080262
71449857	Molecular_Weight	477.4
24868320	Isotope_Atom_Count	0
8551	Structure_Complexity	532
46886975	Exact_Mass	378.10718492
25835	Total_Formal_Charge	0
123336	Covalent_Unit_Count	1
136430	Total_Formal_Charge	0
529264	Covalent_Unit_Count	1
135456058	Isotope_Atom_Count	0
58265621	Hydrogen_Bond_Acceptor_Count	2
188414	Total_Formal_Charge	0
6966	Total_Formal_Charge	0
54961	Hydrogen_Bond_Donor_Count	0
14178853	Hydrogen_Bond_Donor_Count	0
142967978	Defined_Bond_Stereo_Count	0
292429	Hydrogen_Bond_Donor_Count	0
548671	Hydrogen_Bond_Acceptor_Count	1
18766934	Undefined_Atom_Stereo_Count	2
5724	Covalent_Unit_Count	1
410467	TPSA	32.3
74	Undefined_Atom_Stereo_Count	5
130054486	Undefined_Atom_Stereo_Count	1
65823	Tautomer_Count	1
21917690	Isotope_Atom_Count	0
62305	Exact_Mass	520.0471473
15324722	Undefined_Bond_Stereo_Count	0
16049374	Mono_Isotopic_Weight	481.1260618
21103	TPSA	41.5
25056	TPSA	16.1
21345781	Structure_Complexity	71.6
706	Hydrogen_Bond_Acceptor_Count	7
123964	Tautomer_Count	32
75320	Defined_Bond_Stereo_Count	0
58137170	Hydrogen_Bond_Acceptor_Count	8
126505488	Molecular_Weight	284.35
71526	Tautomer_Count	1
77408	Exact_Mass	152.120115130
135554441	Undefined_Atom_Stereo_Count	0
89055	Non-hydrogen_Atom_Count	13
16213872	Defined_Bond_Stereo_Count	0
11427553	Exact_Mass	332.16371127
158785912	Undefined_Atom_Stereo_Count	1
12474173	Defined_Atom_Stereo_Count	0
3507056	Exact_Mass	833.6394
57395184	Mono_Isotopic_Weight	671.2021192
3364777	Structure_Complexity	72.8
53724680	Mono_Isotopic_Weight	99.104799419
900090	Structure_Complexity	355
10909503	Structure_Complexity	57.2
71463826	Exact_Mass	460.39164552
8400	Defined_Bond_Stereo_Count	0
907504	Rotatable_Bond_Count	0
57328385	XLogP3-AA	4.9
54704426	Total_Formal_Charge	0
96359	XLogP3-AA	3.1
135542606	Defined_Atom_Stereo_Count	0
24743471	Non-hydrogen_Atom_Count	28
3229	Defined_Bond_Stereo_Count	0
606430	Covalent_Unit_Count	1
11206	Total_Formal_Charge	0
14445624	Exact_Mass	113.058911855
285402	Structure_Complexity	292
57131009	TPSA	9.2
3811882	XLogP3-AA	0.9
97065	Hydrogen_Bond_Donor_Count	0
5334356	Hydrogen_Bond_Acceptor_Count	4
60196380	Defined_Atom_Stereo_Count	0
10040	Defined_Atom_Stereo_Count	0
315341	Molecular_Weight	173.17
140535901	Rotatable_Bond_Count	1
16052038	Defined_Atom_Stereo_Count	9
135724	Defined_Bond_Stereo_Count	0
1810216	Defined_Atom_Stereo_Count	0
9989264	Defined_Bond_Stereo_Count	0
119570	Exact_Mass	211.11431873
59504979	Structure_Complexity	138
154731207	Undefined_Bond_Stereo_Count	0
60196424	Non-hydrogen_Atom_Count	27
71773	Defined_Bond_Stereo_Count	0
21914607	Defined_Bond_Stereo_Count	0
55263	Non-hydrogen_Atom_Count	16
10297818	XLogP3-AA	4.3
96327588	Molecular_Weight	527.5
25160	Covalent_Unit_Count	1
59755734	Hydrogen_Bond_Acceptor_Count	1
441414	Mono_Isotopic_Weight	317.11106656
9889168	Covalent_Unit_Count	2
66383	Rotatable_Bond_Count	12
657255	Isotope_Atom_Count	0
705672	Molecular_Weight	348.4
217049	Undefined_Atom_Stereo_Count	0
3466040	Exact_Mass	268.1798590
70978	Exact_Mass	180.03106078
22856	Defined_Atom_Stereo_Count	0
55289472	Non-hydrogen_Atom_Count	7
138005	Isotope_Atom_Count	0
12036417	Rotatable_Bond_Count	0
22979	Total_Formal_Charge	0
13803506	Mono_Isotopic_Weight	108.093900383
7327	Undefined_Atom_Stereo_Count	0
21455617	Non-hydrogen_Atom_Count	7
49750	TPSA	41.6
53741494	TPSA	9.2
57400037	Total_Formal_Charge	0
121493082	Isotope_Atom_Count	0
72148	Exact_Mass	333.15512091
53621	Undefined_Atom_Stereo_Count	1
15702063	Molecular_Weight	114.14
54307	Undefined_Atom_Stereo_Count	0
89808883	Molecular_Weight	101.15
71450703	XLogP3-AA	2.7
12205	Hydrogen_Bond_Donor_Count	4
41212	Total_Formal_Charge	0
25245711	Molecular_Weight	889.7
51200	Rotatable_Bond_Count	3
18622364	Hydrogen_Bond_Acceptor_Count	3
359784	Non-hydrogen_Atom_Count	13
136887	Mono_Isotopic_Weight	110.073164938
190816	Undefined_Bond_Stereo_Count	0
54288465	Defined_Atom_Stereo_Count	0
54949	Isotope_Atom_Count	0
29837	Structure_Complexity	46.8
5501	Mono_Isotopic_Weight	232.09602564
69333963	Exact_Mass	112.063662883
26868	Structure_Complexity	331
126755973	Hydrogen_Bond_Acceptor_Count	2
166548151	TPSA	23.8
98323	Defined_Bond_Stereo_Count	0
90127780	TPSA	9.2
3033988	Undefined_Atom_Stereo_Count	0
91414	Rotatable_Bond_Count	2
29756	Hydrogen_Bond_Acceptor_Count	4
54166403	Covalent_Unit_Count	1
427842	XLogP3-AA	1.5
21798491	Undefined_Atom_Stereo_Count	2
4740700	Isotope_Atom_Count	0
10295295	Isotope_Atom_Count	0
74454	Hydrogen_Bond_Acceptor_Count	2
60196279	Exact_Mass	622.14348889
8283	TPSA	20.2
3029	Structure_Complexity	751
142906448	Undefined_Bond_Stereo_Count	0
129681809	Structure_Complexity	225
71380	TPSA	0
588151	Tautomer_Count	2
20219	Isotope_Atom_Count	0
54572926	TPSA	53.5
69589310	Undefined_Bond_Stereo_Count	0
11715169	Structure_Complexity	139
56711	Hydrogen_Bond_Donor_Count	0
62705861	Undefined_Atom_Stereo_Count	0
98053103	Isotope_Atom_Count	0
27124	Non-hydrogen_Atom_Count	24
894327	Mono_Isotopic_Weight	289.121512110
71761627	Hydrogen_Bond_Donor_Count	3
8282	Hydrogen_Bond_Donor_Count	3
21447199	Hydrogen_Bond_Acceptor_Count	1
66561	Covalent_Unit_Count	1
94543	Covalent_Unit_Count	1
148202	Undefined_Atom_Stereo_Count	0
9855476	Total_Formal_Charge	0
57396593	Structure_Complexity	625
21493122	Non-hydrogen_Atom_Count	7
273577	Rotatable_Bond_Count	3
3172	Isotope_Atom_Count	0
5002	Rotatable_Bond_Count	6
69342090	Non-hydrogen_Atom_Count	8
45358975	Defined_Bond_Stereo_Count	0
10250769	Hydrogen_Bond_Acceptor_Count	7
21285	Hydrogen_Bond_Donor_Count	1
129474	Exact_Mass	291.18344366
6918155	Covalent_Unit_Count	1
88553883	Molecular_Weight	100.07
11396600	Rotatable_Bond_Count	7
27531	Tautomer_Count	4
13207	Mono_Isotopic_Weight	126.104465066
95010	Tautomer_Count	1
95571	Isotope_Atom_Count	0
497377	Undefined_Bond_Stereo_Count	0
67628	Hydrogen_Bond_Donor_Count	0
7043900	Undefined_Atom_Stereo_Count	0
206	Mono_Isotopic_Weight	180.06338810
5281706	Undefined_Atom_Stereo_Count	0
11789150	Hydrogen_Bond_Acceptor_Count	1
1382059	Rotatable_Bond_Count	1
690730	Structure_Complexity	210
6004	Mono_Isotopic_Weight	125.99867984
662960	Total_Formal_Charge	0
153989152	Undefined_Atom_Stereo_Count	0
161032	Mono_Isotopic_Weight	130.04523611
116129411	Total_Formal_Charge	0
547308	Undefined_Bond_Stereo_Count	0
5280754	Rotatable_Bond_Count	15
6825	Isotope_Atom_Count	0
581	Structure_Complexity	148
402035	Mono_Isotopic_Weight	528.06986
75548	Isotope_Atom_Count	0
163090690	Rotatable_Bond_Count	11
15568242	Structure_Complexity	62.7
71158	Defined_Atom_Stereo_Count	0
5408	Rotatable_Bond_Count	0
1548971	Non-hydrogen_Atom_Count	30
118994155	Defined_Atom_Stereo_Count	0
93563	TPSA	17.1
159987	Hydrogen_Bond_Acceptor_Count	5
67465	Undefined_Bond_Stereo_Count	0
611162	Defined_Bond_Stereo_Count	0
13598997	Covalent_Unit_Count	1
15466978	Total_Formal_Charge	0
11522448	Non-hydrogen_Atom_Count	20
10193369	Total_Formal_Charge	0
95209	Molecular_Weight	181.26
22181493	Molecular_Weight	96.13
54246209	Covalent_Unit_Count	1
32439	Defined_Atom_Stereo_Count	0
4571243	Exact_Mass	342.29123426
71457269	Molecular_Weight	512.0
15652148	Undefined_Atom_Stereo_Count	0
91667591	Molecular_Weight	978.6
4594378	Non-hydrogen_Atom_Count	15
8013	Defined_Atom_Stereo_Count	0
3032536	Covalent_Unit_Count	3
10232719	Covalent_Unit_Count	1
485	Defined_Bond_Stereo_Count	0
6916033	Undefined_Atom_Stereo_Count	0
76403	Undefined_Atom_Stereo_Count	0
5231957	Hydrogen_Bond_Donor_Count	2
638088	Defined_Bond_Stereo_Count	1
6999977	Covalent_Unit_Count	1
31721	Undefined_Bond_Stereo_Count	0
17856473	Defined_Atom_Stereo_Count	0
392622	Non-hydrogen_Atom_Count	50
71756167	Molecular_Weight	113.12
6419708	Structure_Complexity	567
84658	Covalent_Unit_Count	1
261	Structure_Complexity	24.8
58645437	Hydrogen_Bond_Acceptor_Count	0
11058021	Defined_Atom_Stereo_Count	0
67955	Undefined_Bond_Stereo_Count	0
25142312	XLogP3-AA	3.1
17754178	Non-hydrogen_Atom_Count	10
77875900	TPSA	55.1
11851	Undefined_Atom_Stereo_Count	0
23663976	Mono_Isotopic_Weight	433.16653072
66684067	Undefined_Atom_Stereo_Count	1
131270	Structure_Complexity	466
4436	Non-hydrogen_Atom_Count	16
8678	Defined_Bond_Stereo_Count	0
5478927	Hydrogen_Bond_Donor_Count	0
5020115	Non-hydrogen_Atom_Count	6
11861720	Defined_Atom_Stereo_Count	4
71460852	Covalent_Unit_Count	1
135399594	TPSA	245
65351	Mono_Isotopic_Weight	147.01764164
66016	XLogP3-AA	1.3
54078821	Molecular_Weight	212.24
3367	Undefined_Atom_Stereo_Count	4
190816	TPSA	83.6
55255930	TPSA	12
17841655	Rotatable_Bond_Count	0
58196257	Undefined_Bond_Stereo_Count	0
85328	Molecular_Weight	277.28
14416018	Structure_Complexity	115
77946	Total_Formal_Charge	0
70443535	Structure_Complexity	151
8883	Undefined_Bond_Stereo_Count	0
90713931	Rotatable_Bond_Count	15
1096	Covalent_Unit_Count	2
182420	Defined_Bond_Stereo_Count	0
16720	Non-hydrogen_Atom_Count	12
694648	TPSA	37.3
606817	TPSA	135
84081255	Non-hydrogen_Atom_Count	8
6473767	Undefined_Bond_Stereo_Count	0
918602	Hydrogen_Bond_Donor_Count	1
6429604	Isotope_Atom_Count	0
118578546	Total_Formal_Charge	0
73449854	Mono_Isotopic_Weight	636.15196282
101650201	Exact_Mass	364.09200289
123334	Molecular_Weight	36.006
170359	Isotope_Atom_Count	0
5287596	Non-hydrogen_Atom_Count	31
20448997	Non-hydrogen_Atom_Count	7
5582	Non-hydrogen_Atom_Count	27
198707	Rotatable_Bond_Count	4
18386435	Hydrogen_Bond_Acceptor_Count	4
73167270	Hydrogen_Bond_Acceptor_Count	2
127832	Hydrogen_Bond_Acceptor_Count	6
16663248	Non-hydrogen_Atom_Count	28
16212317	Mono_Isotopic_Weight	405.1343006
234735	Undefined_Bond_Stereo_Count	0
199677	Non-hydrogen_Atom_Count	8
53319118	Isotope_Atom_Count	0
56890	Hydrogen_Bond_Donor_Count	0
454386	Tautomer_Count	5
9954739	Undefined_Bond_Stereo_Count	0
10100083	Molecular_Weight	598.8
57417608	Isotope_Atom_Count	0
398579	Total_Formal_Charge	0
2283	Undefined_Atom_Stereo_Count	15
54266316	Rotatable_Bond_Count	2
10042942	Exact_Mass	341.16270821
28693	Undefined_Atom_Stereo_Count	0
44521018	Structure_Complexity	427
71312306	Defined_Bond_Stereo_Count	0
74745	Hydrogen_Bond_Donor_Count	0
404291	Structure_Complexity	375
11954350	Defined_Atom_Stereo_Count	1
642781	Covalent_Unit_Count	1
65557	Structure_Complexity	375
141010	Total_Formal_Charge	0
132035918	Undefined_Atom_Stereo_Count	0
43389	Structure_Complexity	63.5
9985199	Hydrogen_Bond_Donor_Count	3
17432	Hydrogen_Bond_Donor_Count	0
49967	Covalent_Unit_Count	1
44291156	Total_Formal_Charge	0
18183696	Defined_Bond_Stereo_Count	0
12974	Covalent_Unit_Count	1
302	Exact_Mass	406.27192431
509554	Non-hydrogen_Atom_Count	27
4249	Defined_Atom_Stereo_Count	0
11400707	Undefined_Bond_Stereo_Count	0
40550	Undefined_Atom_Stereo_Count	0
57228285	TPSA	65.2
25262965	Molecular_Weight	465.5
19078026	Undefined_Atom_Stereo_Count	2
9569	Undefined_Atom_Stereo_Count	9
9090	TPSA	50.6
16051947	Non-hydrogen_Atom_Count	56
60196375	Hydrogen_Bond_Acceptor_Count	11
118975693	Hydrogen_Bond_Acceptor_Count	2
8032	Mono_Isotopic_Weight	189.96058025
57339238	Total_Formal_Charge	0
198061	TPSA	49.8
17963196	Exact_Mass	541.1204976
2775510	Isotope_Atom_Count	0
10612	Defined_Atom_Stereo_Count	0
70949	Rotatable_Bond_Count	1
279451	TPSA	41.1
123888456	Molecular_Weight	109.17
20526803	Molecular_Weight	112.09
9837916	Hydrogen_Bond_Donor_Count	1
18698	Tautomer_Count	2
11137118	Molecular_Weight	109.13
36559	Mono_Isotopic_Weight	236.156500638
21552585	Undefined_Atom_Stereo_Count	0
27435	TPSA	47.9
5752	Structure_Complexity	214
4973	Isotope_Atom_Count	0
72862	Non-hydrogen_Atom_Count	13
550814	Hydrogen_Bond_Donor_Count	2
10441672	Covalent_Unit_Count	1
13642201	Hydrogen_Bond_Donor_Count	1
17473	Hydrogen_Bond_Acceptor_Count	18
54572926	Isotope_Atom_Count	0
8449	Covalent_Unit_Count	1
54350955	Non-hydrogen_Atom_Count	8
5323606	Structure_Complexity	102
72805	Exact_Mass	262.18925731
4394	Exact_Mass	456.27365564
7642	TPSA	52.6
722799	Undefined_Atom_Stereo_Count	0
10328936	Tautomer_Count	1001
57330203	Isotope_Atom_Count	0
58308035	Defined_Atom_Stereo_Count	0
15287	Exact_Mass	104.083729621
77077	Covalent_Unit_Count	1
126686768	Covalent_Unit_Count	1
2792	Undefined_Atom_Stereo_Count	7
140732872	Defined_Atom_Stereo_Count	0
347	Mono_Isotopic_Weight	286.10525291
65067	Defined_Bond_Stereo_Count	0
19067979	Undefined_Atom_Stereo_Count	0
58806257	Defined_Bond_Stereo_Count	0
63390	Defined_Bond_Stereo_Count	0
38350	Defined_Bond_Stereo_Count	0
40475911	Defined_Atom_Stereo_Count	1
130125724	Defined_Bond_Stereo_Count	0
5360886	Non-hydrogen_Atom_Count	20
11675388	Non-hydrogen_Atom_Count	27
5372194	Rotatable_Bond_Count	2
6651	Structure_Complexity	155
44519	Exact_Mass	351.10591
51504	Rotatable_Bond_Count	10
10976469	Undefined_Bond_Stereo_Count	0
4380970	Undefined_Bond_Stereo_Count	0
19621	Hydrogen_Bond_Acceptor_Count	13
3330	Mono_Isotopic_Weight	254.04154528
155087254	Rotatable_Bond_Count	15
12066	Mono_Isotopic_Weight	206.9489983
14205264	Hydrogen_Bond_Acceptor_Count	4
11578610	XLogP3-AA	3.9
5366925	Mono_Isotopic_Weight	188.9748192
135441757	XLogP3	2.3
64738	Non-hydrogen_Atom_Count	21
739	TPSA	116
2706	Exact_Mass	526.27913494
14295	Rotatable_Bond_Count	2
9255	Exact_Mass	69.021463719
17522	Molecular_Weight	243.22
444182	Undefined_Bond_Stereo_Count	0
223441	Hydrogen_Bond_Donor_Count	1
9793926	Mono_Isotopic_Weight	166.082333429
442436	Covalent_Unit_Count	1
73110	Structure_Complexity	1010
71310254	Hydrogen_Bond_Donor_Count	8
5045	Non-hydrogen_Atom_Count	28
47318	Hydrogen_Bond_Acceptor_Count	5
3087722	Isotope_Atom_Count	0
27200	TPSA	112
5281088	Hydrogen_Bond_Acceptor_Count	2
71305057	Molecular_Weight	439.3
11597936	Defined_Bond_Stereo_Count	0
3623	XLogP3	1.9
8283	Covalent_Unit_Count	1
4822	Defined_Bond_Stereo_Count	0
11908490	Total_Formal_Charge	0
314184	Covalent_Unit_Count	1
700999	Rotatable_Bond_Count	2
7937	Exact_Mass	107.073499291
6390	Mono_Isotopic_Weight	149.886454
12248528	Mono_Isotopic_Weight	112.016043985
3822	TPSA	69.7
15408	Structure_Complexity	262
550925	Undefined_Bond_Stereo_Count	0
57292	Molecular_Weight	288.85
71300726	Isotope_Atom_Count	0
8661	Exact_Mass	566.11412077
11194317	Defined_Atom_Stereo_Count	0
5289332	Hydrogen_Bond_Acceptor_Count	5
12264628	Exact_Mass	112.052429494
23010495	Molecular_Weight	284.35
118285	Hydrogen_Bond_Donor_Count	2
130664213	Undefined_Bond_Stereo_Count	0
70308	Defined_Atom_Stereo_Count	0
5057599	Defined_Bond_Stereo_Count	0
45830	Covalent_Unit_Count	1
59886072	Undefined_Bond_Stereo_Count	0
101186587	Hydrogen_Bond_Donor_Count	0
19137	Structure_Complexity	227
86307	Hydrogen_Bond_Acceptor_Count	2
129897177	Mono_Isotopic_Weight	1065.53558789
907457	Total_Formal_Charge	0
115011065	Defined_Atom_Stereo_Count	0
6410758	Total_Formal_Charge	0
5288494	Defined_Atom_Stereo_Count	0
65920	Tautomer_Count	9
17756794	Covalent_Unit_Count	2
23691029	Tautomer_Count	4
24847	Exact_Mass	158.167065321
21264915	Undefined_Bond_Stereo_Count	0
3000346	TPSA	99.1
108037	Rotatable_Bond_Count	5
5487713	Defined_Bond_Stereo_Count	1
11154711	Mono_Isotopic_Weight	432.08136409
5280794	XLogP3-AA	8.6
23354	Hydrogen_Bond_Donor_Count	0
150558758	Defined_Bond_Stereo_Count	0
44144517	Rotatable_Bond_Count	2
58550596	XLogP3-AA	0.8
10798	Hydrogen_Bond_Acceptor_Count	1
135565082	Undefined_Bond_Stereo_Count	0
5893	Undefined_Atom_Stereo_Count	0
11116296	Isotope_Atom_Count	0
5323977	Non-hydrogen_Atom_Count	8
139782102	Exact_Mass	96.057514874
641245	Hydrogen_Bond_Acceptor_Count	0
73216	Non-hydrogen_Atom_Count	11
670359	Hydrogen_Bond_Acceptor_Count	4
10155136	XLogP3-AA	3.6
102029	Total_Formal_Charge	0
55291103	Hydrogen_Bond_Acceptor_Count	3
5310957	Isotope_Atom_Count	0
21365956	Covalent_Unit_Count	1
30858	Undefined_Bond_Stereo_Count	0
59850618	Defined_Bond_Stereo_Count	0
99609	Defined_Bond_Stereo_Count	0
739374	Non-hydrogen_Atom_Count	16
66369	Non-hydrogen_Atom_Count	3
80220	Exact_Mass	166.04907545
8168	Isotope_Atom_Count	0
29359	Total_Formal_Charge	0
176871	Structure_Complexity	525
92395	Non-hydrogen_Atom_Count	28
71457270	Non-hydrogen_Atom_Count	39
1056	Undefined_Atom_Stereo_Count	0
599	Defined_Bond_Stereo_Count	0
17753992	Defined_Atom_Stereo_Count	3
144369145	Undefined_Atom_Stereo_Count	0
3035842	Non-hydrogen_Atom_Count	12
9470	Rotatable_Bond_Count	4
3081387	Undefined_Atom_Stereo_Count	0
4961971	Structure_Complexity	62.7
21873527	Total_Formal_Charge	0
33377	Hydrogen_Bond_Acceptor_Count	2
5323927	Covalent_Unit_Count	1
16682730	Hydrogen_Bond_Acceptor_Count	2
14443	Covalent_Unit_Count	1
72941505	Molecular_Weight	377.28
6457	Non-hydrogen_Atom_Count	20
68802	Defined_Atom_Stereo_Count	0
442866	Molecular_Weight	261.27
60976	Molecular_Weight	215.23
18622350	TPSA	35.3
63449	Hydrogen_Bond_Donor_Count	2
581	Rotatable_Bond_Count	3
439709	Structure_Complexity	162
23665763	Defined_Atom_Stereo_Count	0
68696	XLogP3-AA	3.3
19906389	Molecular_Weight	115.17
125395	Molecular_Weight	246.26
56670160	Undefined_Bond_Stereo_Count	0
15953	Total_Formal_Charge	0
3530398	Hydrogen_Bond_Donor_Count	0
67643801	Defined_Atom_Stereo_Count	0
5411	Hydrogen_Bond_Acceptor_Count	4
6442	Hydrogen_Bond_Acceptor_Count	3
4727	Molecular_Weight	149.21
21092	Rotatable_Bond_Count	4
35023	Mono_Isotopic_Weight	246.11167570
14502976	Structure_Complexity	205
84878	Rotatable_Bond_Count	0
18950	Isotope_Atom_Count	0
11970126	Non-hydrogen_Atom_Count	12
54710212	Total_Formal_Charge	0
95162412	Defined_Bond_Stereo_Count	0
104609	Rotatable_Bond_Count	4
123892631	Undefined_Atom_Stereo_Count	1
12420323	Undefined_Bond_Stereo_Count	0
3872	Hydrogen_Bond_Acceptor_Count	11
16212360	TPSA	40.1
12867435	Hydrogen_Bond_Donor_Count	0
53887	Total_Formal_Charge	0
60196385	Defined_Atom_Stereo_Count	0
84571	Defined_Bond_Stereo_Count	0
3525005	Non-hydrogen_Atom_Count	8
58093	Hydrogen_Bond_Donor_Count	1
4250936	Hydrogen_Bond_Acceptor_Count	1
239041	Isotope_Atom_Count	0
22335779	XLogP3-AA	0
134695341	Non-hydrogen_Atom_Count	55
23276	Tautomer_Count	1
123133871	Covalent_Unit_Count	1
21831638	Undefined_Bond_Stereo_Count	0
54360	Hydrogen_Bond_Acceptor_Count	3
344693	Undefined_Atom_Stereo_Count	1
9887884	Non-hydrogen_Atom_Count	31
4693	Undefined_Atom_Stereo_Count	9
7368	Hydrogen_Bond_Acceptor_Count	3
124524088	Hydrogen_Bond_Acceptor_Count	16
25056	Hydrogen_Bond_Donor_Count	0
52918379	Non-hydrogen_Atom_Count	68
20502	Total_Formal_Charge	0
642240	Defined_Bond_Stereo_Count	1
52943962	Defined_Atom_Stereo_Count	0
3744	Defined_Atom_Stereo_Count	0
4422	Isotope_Atom_Count	0
447407	Defined_Bond_Stereo_Count	0
56625	XLogP3-AA	3.1
649852	Rotatable_Bond_Count	6
20197984	Mono_Isotopic_Weight	100.052429494
88705879	TPSA	46.2
439224	Mono_Isotopic_Weight	226.10659032
4763	Undefined_Bond_Stereo_Count	0
93961272	TPSA	57.2
10820489	Hydrogen_Bond_Acceptor_Count	1
60063	XLogP3-AA	0.4
7156899	Molecular_Weight	342.30
9947	Undefined_Atom_Stereo_Count	0
2772687	Non-hydrogen_Atom_Count	19
9915861	Covalent_Unit_Count	1
25217563	Non-hydrogen_Atom_Count	27
31917	Non-hydrogen_Atom_Count	24
2781343	Exact_Mass	230.9312403
129754695	Undefined_Atom_Stereo_Count	2
1308	Molecular_Weight	352.4
69095	TPSA	111
10534635	TPSA	27
10189783	Undefined_Bond_Stereo_Count	0
91260	Hydrogen_Bond_Acceptor_Count	2
80230	Molecular_Weight	160.14
154478098	Defined_Bond_Stereo_Count	0
19362293	Non-hydrogen_Atom_Count	7
10537	Hydrogen_Bond_Donor_Count	1
15301053	Total_Formal_Charge	0
10021510	Hydrogen_Bond_Acceptor_Count	4
40855	Isotope_Atom_Count	0
59712821	Hydrogen_Bond_Donor_Count	0
20441	Covalent_Unit_Count	1
413519	Total_Formal_Charge	1
20770500	Defined_Bond_Stereo_Count	0
29935	TPSA	23.8
20708	TPSA	0
5359484	Structure_Complexity	292
70390	Mono_Isotopic_Weight	226.110613074
97740	Covalent_Unit_Count	1
3178	Isotope_Atom_Count	0
93577	Hydrogen_Bond_Acceptor_Count	8
22643188	Total_Formal_Charge	0
131704262	Total_Formal_Charge	0
5360521	Exact_Mass	162.04629874
138077	Isotope_Atom_Count	0
138113391	Structure_Complexity	1830
6956357	Non-hydrogen_Atom_Count	26
90843502	Mono_Isotopic_Weight	112.052429494
13250	Total_Formal_Charge	0
19016756	Total_Formal_Charge	0
715567	Covalent_Unit_Count	1
498142	Covalent_Unit_Count	4
242973	TPSA	57.4
32091	Defined_Bond_Stereo_Count	0
54041	Undefined_Atom_Stereo_Count	0
667	Defined_Atom_Stereo_Count	0
80654	Undefined_Bond_Stereo_Count	0
15909	Exact_Mass	146.073164938
1413	Rotatable_Bond_Count	14
12358497	Total_Formal_Charge	0
6539038	Defined_Atom_Stereo_Count	0
67121664	Molecular_Weight	112.17
44401271	Covalent_Unit_Count	1
59296073	Undefined_Atom_Stereo_Count	0
25133630	Defined_Atom_Stereo_Count	0
11697697	Total_Formal_Charge	0
54676884	Covalent_Unit_Count	1
162883450	TPSA	272
77222	Hydrogen_Bond_Donor_Count	1
57031137	Molecular_Weight	112.17
11540045	XLogP3-AA	5.8
2852	Structure_Complexity	948
24450	TPSA	83.4
84715968	Mono_Isotopic_Weight	97.089149355
2733939	Non-hydrogen_Atom_Count	25
90243427	Hydrogen_Bond_Acceptor_Count	2
49869877	Structure_Complexity	683
306131	TPSA	63.3
5284443	Defined_Bond_Stereo_Count	0
15191343	Covalent_Unit_Count	1
11492381	Hydrogen_Bond_Donor_Count	0
10103877	Non-hydrogen_Atom_Count	14
5462077	Molecular_Weight	272.39
3034394	Defined_Bond_Stereo_Count	0
39859	Structure_Complexity	309
69401	Covalent_Unit_Count	2
3220	Molecular_Weight	270.24
65725	Mono_Isotopic_Weight	102.042927438
274412	Non-hydrogen_Atom_Count	8
135565932	Mono_Isotopic_Weight	560.11995504
3343558	XLogP3-AA	0.7
2562	Hydrogen_Bond_Acceptor_Count	4
176265	Non-hydrogen_Atom_Count	18
5459377	XLogP3-AA	11.3
6387	XLogP3-AA	1.5
129655960	Hydrogen_Bond_Donor_Count	2
13528	Mono_Isotopic_Weight	104.0028925
159952	Defined_Bond_Stereo_Count	0
23725082	Hydrogen_Bond_Donor_Count	0
68205	Mono_Isotopic_Weight	334.08412354
2724552	Defined_Bond_Stereo_Count	0
25246274	Isotope_Atom_Count	0
54324318	TPSA	43.6
123623	Undefined_Bond_Stereo_Count	0
78438	Structure_Complexity	345
18424759	Undefined_Atom_Stereo_Count	0
9854489	Mono_Isotopic_Weight	538.16369430
439524	Defined_Bond_Stereo_Count	0
5281426	Hydrogen_Bond_Donor_Count	1
156592059	Exact_Mass	895.04440356
129627802	Mono_Isotopic_Weight	842.51400504
632910	Hydrogen_Bond_Acceptor_Count	1
69160	Hydrogen_Bond_Donor_Count	3
134032	Structure_Complexity	605
65575055	Non-hydrogen_Atom_Count	8
494	Covalent_Unit_Count	1
14440271	Rotatable_Bond_Count	2
14968895	Defined_Atom_Stereo_Count	0
9909677	Tautomer_Count	10
78440	Exact_Mass	362.09498026
51921893	Total_Formal_Charge	0
45358055	Mono_Isotopic_Weight	840.37930247
85531465	Undefined_Bond_Stereo_Count	0
59446219	Hydrogen_Bond_Donor_Count	7
3416433	XLogP3-AA	2.1
3239844	Undefined_Bond_Stereo_Count	0
68654	Molecular_Weight	481.4
3349	Covalent_Unit_Count	1
3068143	Structure_Complexity	679
22227092	Exact_Mass	96.057514874
440667	Isotope_Atom_Count	0
21670561	Structure_Complexity	109
16760595	Undefined_Atom_Stereo_Count	0
18998026	Molecular_Weight	102.11
177976	Mono_Isotopic_Weight	375.16818752
70851	Defined_Atom_Stereo_Count	0
23677974	Hydrogen_Bond_Donor_Count	3
102131130	Undefined_Atom_Stereo_Count	1
95299	Defined_Bond_Stereo_Count	0
249502	Defined_Atom_Stereo_Count	0
85237	Undefined_Atom_Stereo_Count	0
9967055	Undefined_Atom_Stereo_Count	0
19077501	Non-hydrogen_Atom_Count	27
6444826	Defined_Bond_Stereo_Count	1
9793926	Hydrogen_Bond_Donor_Count	1
38439	Undefined_Atom_Stereo_Count	0
135554441	Isotope_Atom_Count	0
148191	Isotope_Atom_Count	0
2622	Tautomer_Count	14
53691700	Mono_Isotopic_Weight	117.078978594
177323	Mono_Isotopic_Weight	628.44647505
4376	Hydrogen_Bond_Donor_Count	3
21122483	TPSA	0
9909846	TPSA	60.7
67113727	Isotope_Atom_Count	0
25014511	Defined_Bond_Stereo_Count	0
21823	Exact_Mass	217.110278721
57483528	TPSA	110
44864	Undefined_Bond_Stereo_Count	0
80507	Isotope_Atom_Count	0
60982	TPSA	29.5
9869929	Molecular_Weight	483.9
257	Total_Formal_Charge	0
5783	Hydrogen_Bond_Donor_Count	1
749	Hydrogen_Bond_Donor_Count	8
20294925	Isotope_Atom_Count	0
42648	Hydrogen_Bond_Acceptor_Count	6
6918545	Covalent_Unit_Count	5
10464328	Rotatable_Bond_Count	1
39897	Covalent_Unit_Count	2
44560771	Mono_Isotopic_Weight	362.14126175
7464	Mono_Isotopic_Weight	135.104799419
94675	Molecular_Weight	262.23
9936	Exact_Mass	251.01539010
3009363	Isotope_Atom_Count	0
23081366	Total_Formal_Charge	0
54582797	Defined_Atom_Stereo_Count	0
16639	XLogP3-AA	2.7
6454351	Tautomer_Count	1
390986	Isotope_Atom_Count	0
25913	TPSA	0
14818447	TPSA	0
57782	Exact_Mass	280.15354051
136429571	Isotope_Atom_Count	0
230076	Hydrogen_Bond_Donor_Count	11
21225563	Isotope_Atom_Count	0
12578534	Defined_Bond_Stereo_Count	0
68956	Defined_Atom_Stereo_Count	0
7499	Rotatable_Bond_Count	1
71584542	TPSA	89
31621	Non-hydrogen_Atom_Count	22
10130524	Covalent_Unit_Count	1
123359989	Defined_Bond_Stereo_Count	0
95093	Undefined_Bond_Stereo_Count	0
102102472	XLogP3-AA	3.2
36131	Hydrogen_Bond_Acceptor_Count	2
12285893	Molecular_Weight	181.16
11610354	Undefined_Atom_Stereo_Count	0
894	Molecular_Weight	349.23
27465	Total_Formal_Charge	0
73707487	XLogP3	1.9
94310	Tautomer_Count	1
5506	Total_Formal_Charge	0
125409	Non-hydrogen_Atom_Count	10
55241	Tautomer_Count	1
186183	Undefined_Bond_Stereo_Count	0
143647928	Undefined_Atom_Stereo_Count	0
62413	Isotope_Atom_Count	0
80695	Exact_Mass	481.99427965
2209	Exact_Mass	162.02854067
18521191	Tautomer_Count	1
53898601	Covalent_Unit_Count	1
11032	Exact_Mass	313.13477939
10996979	Covalent_Unit_Count	1
2531	Mono_Isotopic_Weight	648.994155
2239	Undefined_Bond_Stereo_Count	0
20119162	Hydrogen_Bond_Donor_Count	2
22624677	Defined_Atom_Stereo_Count	0
21492261	Undefined_Bond_Stereo_Count	0
135589116	Hydrogen_Bond_Donor_Count	3
65575	Hydrogen_Bond_Acceptor_Count	1
168870	Exact_Mass	659.29888458
71448903	Hydrogen_Bond_Donor_Count	9
55285271	Rotatable_Bond_Count	1
24685	Hydrogen_Bond_Acceptor_Count	2
93680	Defined_Atom_Stereo_Count	0
9848818	Defined_Bond_Stereo_Count	0
73828	XLogP3-AA	2.1
3000241	Non-hydrogen_Atom_Count	10
113415	Defined_Bond_Stereo_Count	0
984	Tautomer_Count	2
122445050	TPSA	116
5464190	Undefined_Atom_Stereo_Count	0
644077	Undefined_Bond_Stereo_Count	0
56955285	Isotope_Atom_Count	0
543207	Total_Formal_Charge	0
54760314	Rotatable_Bond_Count	3
3710788	Defined_Bond_Stereo_Count	0
82464	Isotope_Atom_Count	0
20974	Isotope_Atom_Count	0
2321753	Hydrogen_Bond_Donor_Count	1
123133975	Mono_Isotopic_Weight	813.45107043
445713	Undefined_Bond_Stereo_Count	0
136506065	Defined_Bond_Stereo_Count	0
164912	Defined_Bond_Stereo_Count	0
139593411	Undefined_Bond_Stereo_Count	0
44570343	Total_Formal_Charge	0
15950085	Covalent_Unit_Count	1
5151436	Undefined_Atom_Stereo_Count	1
129364810	Isotope_Atom_Count	0
701741	Molecular_Weight	274.31
5281878	Non-hydrogen_Atom_Count	30
132082520	Molecular_Weight	108.14
163646941	Isotope_Atom_Count	0
33190	Hydrogen_Bond_Acceptor_Count	12
68942	Mono_Isotopic_Weight	240.05865769
572516	Defined_Atom_Stereo_Count	0
110862	XLogP3-AA	0.3
154419142	Non-hydrogen_Atom_Count	8
89748954	Hydrogen_Bond_Donor_Count	1
20055400	Tautomer_Count	1
7201	Mono_Isotopic_Weight	135.104799419
58387740	TPSA	9.2
46233311	Hydrogen_Bond_Donor_Count	2
12278591	Covalent_Unit_Count	1
2781	Rotatable_Bond_Count	6
6363	XLogP3-AA	0.1
155893809	Defined_Bond_Stereo_Count	0
105426997	Total_Formal_Charge	0
25242	Mono_Isotopic_Weight	53.00770536
112039	Hydrogen_Bond_Donor_Count	0
8743	Mono_Isotopic_Weight	183.01677226
44159252	Total_Formal_Charge	0
17782423	Exact_Mass	85.052763847
25211988	Rotatable_Bond_Count	4
11369	Defined_Atom_Stereo_Count	0
123871431	XLogP3-AA	2.6
445621	Molecular_Weight	179.17
628447	XLogP3-AA	2.8
2386	Total_Formal_Charge	2
59791	Undefined_Bond_Stereo_Count	0
6992089	Exact_Mass	132.05349212
13574950	Structure_Complexity	74.1
83953	Undefined_Atom_Stereo_Count	0
22015773	Undefined_Atom_Stereo_Count	0
208911	Total_Formal_Charge	0
7216	Hydrogen_Bond_Donor_Count	0
7020624	Mono_Isotopic_Weight	99.104799419
444041	Structure_Complexity	1480
56205	Covalent_Unit_Count	2
33097	Undefined_Bond_Stereo_Count	0
731747	Hydrogen_Bond_Acceptor_Count	5
9897412	Molecular_Weight	843.1
129681963	Exact_Mass	269.0486528
11042360	Defined_Atom_Stereo_Count	0
10996972	Defined_Atom_Stereo_Count	0
70689065	Defined_Atom_Stereo_Count	0
10133975	Non-hydrogen_Atom_Count	28
12443	Molecular_Weight	463.70
6437387	Mono_Isotopic_Weight	416.32904526
447362	Covalent_Unit_Count	1
129664338	Hydrogen_Bond_Donor_Count	1
70695760	Undefined_Bond_Stereo_Count	0
11749756	Rotatable_Bond_Count	10
166754	Tautomer_Count	4
141343693	Undefined_Atom_Stereo_Count	2
44483163	Covalent_Unit_Count	1
129720364	Molecular_Weight	283.33
87700	Total_Formal_Charge	0
22934413	Rotatable_Bond_Count	2
31068	Structure_Complexity	440
60618	Tautomer_Count	1
86673	Mono_Isotopic_Weight	206.09027155
15652148	Isotope_Atom_Count	0
84693	Mono_Isotopic_Weight	112.088815002
54757838	TPSA	107
12873460	Total_Formal_Charge	0
445248	Undefined_Atom_Stereo_Count	0
743681	XLogP3-AA	3.7
9945927	Exact_Mass	341.11756954
69102	Rotatable_Bond_Count	0
156513855	Non-hydrogen_Atom_Count	7
8626	TPSA	329
6435	Tautomer_Count	15
118371793	Mono_Isotopic_Weight	110.048012819
14200531	Non-hydrogen_Atom_Count	8
47472	Undefined_Atom_Stereo_Count	1
139244568	Structure_Complexity	546
57399142	Mono_Isotopic_Weight	389.0268720
12062378	TPSA	26
522417	Rotatable_Bond_Count	5
88709052	Mono_Isotopic_Weight	103.063328530
9830667	Hydrogen_Bond_Donor_Count	3
119098876	XLogP3-AA	17.5
129652979	Defined_Atom_Stereo_Count	0
93189	Undefined_Atom_Stereo_Count	0
92722	Hydrogen_Bond_Acceptor_Count	8
132917192	Covalent_Unit_Count	1
1361	Hydrogen_Bond_Acceptor_Count	8
13711	Hydrogen_Bond_Acceptor_Count	4
151194	Defined_Atom_Stereo_Count	0
79680	Mono_Isotopic_Weight	119.9978071
53803	Tautomer_Count	1
5158	Hydrogen_Bond_Acceptor_Count	26
140554	Undefined_Bond_Stereo_Count	0
5951	Covalent_Unit_Count	1
138115739	Hydrogen_Bond_Donor_Count	12
19793984	Defined_Bond_Stereo_Count	0
11937	Tautomer_Count	1
81466	Defined_Atom_Stereo_Count	0
76229	Hydrogen_Bond_Donor_Count	1
688217	Defined_Atom_Stereo_Count	1
8641	Undefined_Atom_Stereo_Count	0
8015	Molecular_Weight	68.08
2435	Defined_Bond_Stereo_Count	0
118917438	Non-hydrogen_Atom_Count	8
44358318	Molecular_Weight	450.4
67326	Undefined_Atom_Stereo_Count	0
843190	Mono_Isotopic_Weight	333.09358328
101614363	Structure_Complexity	366
2755709	Defined_Bond_Stereo_Count	0
12456033	Hydrogen_Bond_Donor_Count	0
90990	Hydrogen_Bond_Donor_Count	0
85979179	Molecular_Weight	83.09
59296010	XLogP3-AA	3.3
9939298	Non-hydrogen_Atom_Count	46
44516953	Structure_Complexity	913
86916	Hydrogen_Bond_Acceptor_Count	3
123792	Rotatable_Bond_Count	17
139054114	Total_Formal_Charge	0
379	Covalent_Unit_Count	1
118654527	Total_Formal_Charge	0
10251042	Rotatable_Bond_Count	3
71584166	Undefined_Atom_Stereo_Count	0
4043	Isotope_Atom_Count	0
122903	Molecular_Weight	168.15
139244568	Rotatable_Bond_Count	2
15286	Defined_Atom_Stereo_Count	0
91575456	Total_Formal_Charge	0
54025583	Hydrogen_Bond_Acceptor_Count	2
13413802	Molecular_Weight	113.16
57656232	Undefined_Bond_Stereo_Count	0
3009363	Defined_Atom_Stereo_Count	0
445638	TPSA	37.3
145819	Tautomer_Count	1
3082393	Structure_Complexity	1250
31099	Structure_Complexity	254
6440900	Tautomer_Count	1
9920377	TPSA	41.1
8834	Total_Formal_Charge	0
30815	Exact_Mass	169.0294416
10101	Defined_Atom_Stereo_Count	0
6708685	Defined_Atom_Stereo_Count	2
9930243	Defined_Bond_Stereo_Count	0
72823181	Covalent_Unit_Count	1
17616	Molecular_Weight	168.23
71451929	Defined_Atom_Stereo_Count	2
71730	Covalent_Unit_Count	1
79474	Rotatable_Bond_Count	1
3060	Defined_Atom_Stereo_Count	0
332226	Isotope_Atom_Count	0
70680234	Undefined_Bond_Stereo_Count	0
89811	Exact_Mass	107.073499291
5362620	Hydrogen_Bond_Acceptor_Count	1
56955071	Molecular_Weight	339.4
37563	Isotope_Atom_Count	0
62517	Mono_Isotopic_Weight	576.156552
11727234	Mono_Isotopic_Weight	330.03756727
12647544	Hydrogen_Bond_Acceptor_Count	2
44353367	Defined_Atom_Stereo_Count	0
5020	Tautomer_Count	268
6568	Hydrogen_Bond_Donor_Count	1
12331	Defined_Bond_Stereo_Count	0
31272	Total_Formal_Charge	0
135509116	Covalent_Unit_Count	1
54700	Total_Formal_Charge	0
16414	Defined_Atom_Stereo_Count	0
9954083	XLogP3	4.5
60582	Mono_Isotopic_Weight	272.04669266
118910268	Covalent_Unit_Count	1
4149208	Mono_Isotopic_Weight	199.169804972
12116	Exact_Mass	230.07653624
2079	Non-hydrogen_Atom_Count	14
926	Undefined_Atom_Stereo_Count	8
10201696	Rotatable_Bond_Count	7
83952	Defined_Bond_Stereo_Count	0
9940864	Hydrogen_Bond_Acceptor_Count	17
72568	TPSA	37.4
123134657	Defined_Bond_Stereo_Count	1
137326482	Defined_Bond_Stereo_Count	0
114681	Total_Formal_Charge	0
23199087	Mono_Isotopic_Weight	92.037448136
18410302	Hydrogen_Bond_Donor_Count	1
3542	Isotope_Atom_Count	0
60956	XLogP3-AA	0.3
42580057	Covalent_Unit_Count	1
738952	Covalent_Unit_Count	1
53484290	Non-hydrogen_Atom_Count	8
60196377	Structure_Complexity	110
62384	Molecular_Weight	116.16
123249588	Covalent_Unit_Count	1
5468	Mono_Isotopic_Weight	260.05071541
12304539	Total_Formal_Charge	0
11224214	Molecular_Weight	431.5
447277	Undefined_Atom_Stereo_Count	0
54058352	Non-hydrogen_Atom_Count	8
2375	Hydrogen_Bond_Acceptor_Count	9
9948894	Mono_Isotopic_Weight	318.06742811
44338843	XLogP3-AA	2.9
11305985	Rotatable_Bond_Count	14
12002176	Total_Formal_Charge	0
25067411	Covalent_Unit_Count	1
102239676	Undefined_Bond_Stereo_Count	0
21187532	Defined_Atom_Stereo_Count	0
164608	Undefined_Bond_Stereo_Count	0
454386	Structure_Complexity	484
6632	Undefined_Atom_Stereo_Count	2
57721	Exact_Mass	485.22609631
6238	Hydrogen_Bond_Acceptor_Count	3
66545758	Hydrogen_Bond_Donor_Count	2
136585	Tautomer_Count	1
28495	Molecular_Weight	181.15
2735107	Exact_Mass	232.07452447
3662	Non-hydrogen_Atom_Count	39
24865624	Covalent_Unit_Count	1
507806	TPSA	105
12156911	Mono_Isotopic_Weight	91.042199164
5742590	Tautomer_Count	1
13195837	Undefined_Atom_Stereo_Count	2
138950	Covalent_Unit_Count	1
152257	Hydrogen_Bond_Donor_Count	1
74888	Non-hydrogen_Atom_Count	22
139591683	Total_Formal_Charge	0
5112745	Non-hydrogen_Atom_Count	17
12414280	Structure_Complexity	134
72924	Covalent_Unit_Count	1
5808	Molecular_Weight	211.26
23080912	Total_Formal_Charge	0
48804	Isotope_Atom_Count	0
20784557	Total_Formal_Charge	0
1342	Structure_Complexity	223
34533	Structure_Complexity	255
15337	Undefined_Bond_Stereo_Count	0
23687810	Structure_Complexity	118
87280117	Structure_Complexity	94.4
5288217	Covalent_Unit_Count	1
13070698	Structure_Complexity	53.6
142482	Defined_Bond_Stereo_Count	0
12865500	Non-hydrogen_Atom_Count	8
6538985	Undefined_Bond_Stereo_Count	0
28284151	Rotatable_Bond_Count	2
20314	Hydrogen_Bond_Acceptor_Count	3
123377064	Non-hydrogen_Atom_Count	8
18730044	Hydrogen_Bond_Acceptor_Count	0
44560771	Molecular_Weight	362.4
87348	Defined_Bond_Stereo_Count	0
59034276	Non-hydrogen_Atom_Count	12
71573986	Structure_Complexity	873
6561	XLogP3-AA	0.8
12301251	Isotope_Atom_Count	0
222572	Mono_Isotopic_Weight	364.157563266
1574	Hydrogen_Bond_Acceptor_Count	2
6917681	TPSA	44.4
66991180	Covalent_Unit_Count	1
7348	Total_Formal_Charge	0
51585	TPSA	62.6
98043898	Mono_Isotopic_Weight	416.32904526
7487	Hydrogen_Bond_Donor_Count	0
3086576	TPSA	64.6
3080938	XLogP3-AA	17.3
4914117	Undefined_Bond_Stereo_Count	0
57450901	Exact_Mass	114.104465066
22386086	Structure_Complexity	101
69158	XLogP3	3.4
11262	Defined_Bond_Stereo_Count	0
18755011	Rotatable_Bond_Count	0
37183	Non-hydrogen_Atom_Count	3
7053	Defined_Atom_Stereo_Count	0
54006055	Non-hydrogen_Atom_Count	18
11040	Rotatable_Bond_Count	2
5310966	Covalent_Unit_Count	1
54086435	Rotatable_Bond_Count	1
92515	Mono_Isotopic_Weight	208.109944368
5905	Undefined_Bond_Stereo_Count	0
144513	Mono_Isotopic_Weight	96.093900383
52038	Undefined_Bond_Stereo_Count	0
162652	Non-hydrogen_Atom_Count	13
449394	XLogP3-AA	2.5
5566	Mono_Isotopic_Weight	407.16430344
44419240	Hydrogen_Bond_Acceptor_Count	3
7225	TPSA	26
126011	Undefined_Atom_Stereo_Count	7
7778	Molecular_Weight	184.27
141201	Isotope_Atom_Count	0
8502	Structure_Complexity	193
12370	Covalent_Unit_Count	1
14246795	Structure_Complexity	124
107377	TPSA	46.5
3081387	Undefined_Bond_Stereo_Count	0
10173277	Undefined_Bond_Stereo_Count	0
3751373	XLogP3-AA	0.1
57485872	TPSA	63.3
24848321	Exact_Mass	289.227988553
534552	Total_Formal_Charge	0
222465	Undefined_Atom_Stereo_Count	0
50896	Defined_Bond_Stereo_Count	0
23422066	TPSA	60.8
21941690	Non-hydrogen_Atom_Count	8
44181920	Defined_Atom_Stereo_Count	0
61274	Defined_Atom_Stereo_Count	0
11974020	Hydrogen_Bond_Acceptor_Count	8
24901143	Isotope_Atom_Count	0
62795	Exact_Mass	453.25152322
64148	Mono_Isotopic_Weight	239.99869710
9642	Mono_Isotopic_Weight	494.21160968
92044406	Structure_Complexity	2410
444683	Total_Formal_Charge	0
91599894	Rotatable_Bond_Count	0
43598	Mono_Isotopic_Weight	226.10275099
11226	Hydrogen_Bond_Donor_Count	1
9568	Undefined_Atom_Stereo_Count	1
107887	Defined_Bond_Stereo_Count	0
52950209	Total_Formal_Charge	0
816	Covalent_Unit_Count	1
60503	Defined_Bond_Stereo_Count	0
1130	Defined_Atom_Stereo_Count	0
40473193	Isotope_Atom_Count	0
42993	Covalent_Unit_Count	1
73943	Mono_Isotopic_Weight	154.02416388
5311093	Exact_Mass	417.32429423
2972	Mono_Isotopic_Weight	139.063328530
2096	Hydrogen_Bond_Donor_Count	1
11051610	XLogP3-AA	0.2
22386601	Undefined_Bond_Stereo_Count	0
142566105	Covalent_Unit_Count	1
866400	Hydrogen_Bond_Acceptor_Count	5
289031	TPSA	104
6580	Mono_Isotopic_Weight	92.9981414
98148768	Exact_Mass	342.11621151
76140	XLogP3-AA	10.4
1621	Isotope_Atom_Count	0
91415017	Hydrogen_Bond_Donor_Count	2
65825	Covalent_Unit_Count	1
26181	Total_Formal_Charge	0
5259916	Hydrogen_Bond_Donor_Count	2
5310969	Hydrogen_Bond_Acceptor_Count	3
11355455	Hydrogen_Bond_Donor_Count	0
5893	Isotope_Atom_Count	0
499953	Structure_Complexity	857
20653	Covalent_Unit_Count	1
3955344	Tautomer_Count	16
17945614	Covalent_Unit_Count	1
33068	Isotope_Atom_Count	0
46840946	Rotatable_Bond_Count	6
32966	Undefined_Bond_Stereo_Count	0
5352693	Mono_Isotopic_Weight	180.01011390
56672296	Exact_Mass	396.15101554
7149	Covalent_Unit_Count	1
6853	Hydrogen_Bond_Acceptor_Count	0
44512434	Covalent_Unit_Count	1
56834575	Molecular_Weight	465.5
99147	Isotope_Atom_Count	0
13676	Hydrogen_Bond_Acceptor_Count	3
403	Covalent_Unit_Count	1
27627	Exact_Mass	98.073164938
3389	Hydrogen_Bond_Donor_Count	0
54897	TPSA	37.6
24871329	Covalent_Unit_Count	10
71464685	Hydrogen_Bond_Donor_Count	6
32872	Undefined_Atom_Stereo_Count	1
43708	Non-hydrogen_Atom_Count	34
224243	Defined_Bond_Stereo_Count	0
6918335	Rotatable_Bond_Count	11
136729	Covalent_Unit_Count	1
35901875	Rotatable_Bond_Count	3
135544137	Exact_Mass	471.10349652
23421180	Covalent_Unit_Count	1
65429	Hydrogen_Bond_Acceptor_Count	7
79790	Covalent_Unit_Count	1
101658	Total_Formal_Charge	0
519271	Hydrogen_Bond_Acceptor_Count	1
11029769	Hydrogen_Bond_Acceptor_Count	1
824060	TPSA	71.9
19846	Covalent_Unit_Count	1
5281672	Total_Formal_Charge	0
201652	XLogP3-AA	3
135499741	Hydrogen_Bond_Donor_Count	2
70819549	Undefined_Atom_Stereo_Count	0
20791685	Exact_Mass	111.079647300
5112454	Rotatable_Bond_Count	2
67317342	Molecular_Weight	100.16
82755	Total_Formal_Charge	0
10087998	XLogP3	3.5
5287969	Defined_Bond_Stereo_Count	0
631779	Exact_Mass	352.101702159
11703345	Undefined_Bond_Stereo_Count	0
69333434	XLogP3-AA	0.9
57442010	Hydrogen_Bond_Donor_Count	1
53846427	Defined_Bond_Stereo_Count	0
77405	Undefined_Bond_Stereo_Count	0
16115	XLogP3	3.5
59495	TPSA	29.1
69860	Total_Formal_Charge	0
8969	Molecular_Weight	354.4
7850	XLogP3-AA	1.5
3035235	Undefined_Bond_Stereo_Count	0
7360	Hydrogen_Bond_Donor_Count	1
135415794	Defined_Atom_Stereo_Count	4
12127	Defined_Bond_Stereo_Count	0
206876	Covalent_Unit_Count	1
18185822	Hydrogen_Bond_Acceptor_Count	3
6433356	Total_Formal_Charge	0
9950891	Undefined_Bond_Stereo_Count	0
97597	Structure_Complexity	585
4883	Isotope_Atom_Count	0
163190000	Non-hydrogen_Atom_Count	50
68861	Undefined_Atom_Stereo_Count	0
66435	Defined_Bond_Stereo_Count	0
6059187	Hydrogen_Bond_Acceptor_Count	3
6267	Hydrogen_Bond_Acceptor_Count	4
124174523	Isotope_Atom_Count	0
152	Non-hydrogen_Atom_Count	18
1720	Exact_Mass	212.058577502
70683750	Covalent_Unit_Count	1
45356872	Exact_Mass	545.26248182
22015773	Exact_Mass	144.068748264
11123757	Defined_Atom_Stereo_Count	0
16069302	XLogP3-AA	4.2
15037	Mono_Isotopic_Weight	147.068413911
62752	Tautomer_Count	21
16142	Rotatable_Bond_Count	2
59904965	Molecular_Weight	21.065
24900685	XLogP3-AA	2.3
3033821	Defined_Atom_Stereo_Count	0
6129	Mono_Isotopic_Weight	201.078978594
82412	Defined_Atom_Stereo_Count	0
165574	Defined_Atom_Stereo_Count	0
963264	Total_Formal_Charge	0
68157	Tautomer_Count	1
41541	XLogP3	5.9
12747510	Covalent_Unit_Count	1
130553	Total_Formal_Charge	0
3692	Undefined_Bond_Stereo_Count	0
58420421	Exact_Mass	110.084398327
10589377	Mono_Isotopic_Weight	287.18120410
23866	Defined_Bond_Stereo_Count	0
72200863	Defined_Atom_Stereo_Count	4
3209	Structure_Complexity	398
34208	Defined_Bond_Stereo_Count	0
498156	Undefined_Bond_Stereo_Count	0
6834	Defined_Atom_Stereo_Count	0
2144	Defined_Bond_Stereo_Count	0
14388239	Total_Formal_Charge	0
7716	TPSA	0
395450	Hydrogen_Bond_Acceptor_Count	7
6871	Exact_Mass	216.09977361
49654	Isotope_Atom_Count	0
2733487	Hydrogen_Bond_Donor_Count	8
10240772	Defined_Atom_Stereo_Count	0
12052005	Exact_Mass	303.14705815
3033031	Undefined_Bond_Stereo_Count	0
53921772	Exact_Mass	116.047344113
54428	Molecular_Weight	360.9
10346870	Molecular_Weight	529.5
130554629	Undefined_Bond_Stereo_Count	0
449284	Isotope_Atom_Count	0
114946	Total_Formal_Charge	0
92301	Exact_Mass	152.120115130
60672	Non-hydrogen_Atom_Count	30
71987	Non-hydrogen_Atom_Count	18
53484567	Defined_Bond_Stereo_Count	0
11513929	Defined_Bond_Stereo_Count	0
70297	Molecular_Weight	172.56
524314	Undefined_Atom_Stereo_Count	0
951315	Defined_Bond_Stereo_Count	0
644078	XLogP3-AA	14
7551	TPSA	38.3
20350152	Isotope_Atom_Count	0
17865372	Isotope_Atom_Count	0
9945927	Rotatable_Bond_Count	5
55286252	Hydrogen_Bond_Acceptor_Count	3
59252	Hydrogen_Bond_Donor_Count	2
34520	Undefined_Bond_Stereo_Count	0
57392964	Rotatable_Bond_Count	6
3777159	Rotatable_Bond_Count	3
13991589	Isotope_Atom_Count	0
61008	Undefined_Atom_Stereo_Count	0
68119	Hydrogen_Bond_Acceptor_Count	4
54012932	Hydrogen_Bond_Acceptor_Count	3
7081	Hydrogen_Bond_Donor_Count	2
449087	Exact_Mass	291.137162174
142422	Covalent_Unit_Count	1
75103	Structure_Complexity	24.7
9846588	Structure_Complexity	573
13642940	Covalent_Unit_Count	1
60196273	Hydrogen_Bond_Acceptor_Count	5
17652	Defined_Bond_Stereo_Count	0
5818	Hydrogen_Bond_Acceptor_Count	2
7288	Non-hydrogen_Atom_Count	6
37865	Total_Formal_Charge	0
70003	Undefined_Bond_Stereo_Count	0
702695	Structure_Complexity	244
61444	Hydrogen_Bond_Acceptor_Count	11
24888274	Hydrogen_Bond_Acceptor_Count	3
13860601	Molecular_Weight	114.19
99207	Non-hydrogen_Atom_Count	31
650625	Molecular_Weight	268.24
11686063	Hydrogen_Bond_Donor_Count	12
63826	Undefined_Atom_Stereo_Count	0
89252	Covalent_Unit_Count	1
46909057	Structure_Complexity	557
221511	Defined_Bond_Stereo_Count	0
559740	Defined_Bond_Stereo_Count	0
9820034	Undefined_Atom_Stereo_Count	0
417753	Hydrogen_Bond_Acceptor_Count	4
5228468	Total_Formal_Charge	0
91590871	Rotatable_Bond_Count	2
6327546	Rotatable_Bond_Count	4
13794998	Undefined_Atom_Stereo_Count	0
21248212	Covalent_Unit_Count	1
81638	Mono_Isotopic_Weight	223.0036207
12406	Mono_Isotopic_Weight	352.406901659
18506422	Rotatable_Bond_Count	2
2838	Mono_Isotopic_Weight	607.37336968
129827453	Undefined_Bond_Stereo_Count	0
40467008	Mono_Isotopic_Weight	363.10146788
53462066	Undefined_Bond_Stereo_Count	0
11719407	Mono_Isotopic_Weight	452.1403890
131855729	Hydrogen_Bond_Acceptor_Count	1
6316	Tautomer_Count	1
7073	Covalent_Unit_Count	1
22998467	Defined_Bond_Stereo_Count	0
11546350	Total_Formal_Charge	0
193972	Defined_Bond_Stereo_Count	0
25142309	Hydrogen_Bond_Acceptor_Count	4
16211656	Undefined_Bond_Stereo_Count	0
12309520	Non-hydrogen_Atom_Count	24
4692	Exact_Mass	248.14124450
14808025	Molecular_Weight	101.10
69146	Hydrogen_Bond_Donor_Count	0
21670825	XLogP3-AA	6.6
12200749	Undefined_Bond_Stereo_Count	0
66684386	Hydrogen_Bond_Donor_Count	1
11559	XLogP3-AA	0.6
548769	Mono_Isotopic_Weight	93.032697108
9841259	Undefined_Atom_Stereo_Count	0
71277	Isotope_Atom_Count	0
6604183	Isotope_Atom_Count	0
76044	Non-hydrogen_Atom_Count	26
17129	Molecular_Weight	172.26
23673837	Isotope_Atom_Count	0
14619629	Hydrogen_Bond_Donor_Count	1
71884	Exact_Mass	710.30978362
44258737	Total_Formal_Charge	0
65442	Defined_Bond_Stereo_Count	0
2657	TPSA	288
31297	Mono_Isotopic_Weight	113.9542282
41478	Tautomer_Count	1
86739056	Mono_Isotopic_Weight	346.0100290
2846928	Exact_Mass	386.22966
23615703	Molecular_Weight	204.18
2457	Rotatable_Bond_Count	1
16097729	TPSA	235
14170926	Hydrogen_Bond_Acceptor_Count	2
91116427	Non-hydrogen_Atom_Count	7
8718	Molecular_Weight	136.15
78477	Undefined_Atom_Stereo_Count	0
68643	Defined_Bond_Stereo_Count	0
53678703	Non-hydrogen_Atom_Count	8
67339181	Undefined_Bond_Stereo_Count	0
14369	Structure_Complexity	334
5311070	Exact_Mass	267.125928785
5281565	Defined_Atom_Stereo_Count	1
78323835	Hydrogen_Bond_Acceptor_Count	6
56765705	XLogP3-AA	0.1
71743826	Covalent_Unit_Count	1
188267	Defined_Atom_Stereo_Count	0
116021439	Total_Formal_Charge	0
6918091	TPSA	213
20996	XLogP3	8.5
38666	Undefined_Atom_Stereo_Count	0
119032	Hydrogen_Bond_Acceptor_Count	7
24839622	TPSA	2440
10586	Undefined_Bond_Stereo_Count	0
136582	Tautomer_Count	1
14297260	Undefined_Bond_Stereo_Count	0
3743617	Defined_Atom_Stereo_Count	0
428745	Rotatable_Bond_Count	0
24833843	Hydrogen_Bond_Acceptor_Count	9
124005380	Exact_Mass	110.109550447
4432690	Defined_Bond_Stereo_Count	0
23649245	Undefined_Atom_Stereo_Count	0
94684	TPSA	12.5
138335	Defined_Atom_Stereo_Count	0
5829	Covalent_Unit_Count	1
5327131	Undefined_Atom_Stereo_Count	0
176407	Undefined_Atom_Stereo_Count	0
66254	Rotatable_Bond_Count	4
16220095	Non-hydrogen_Atom_Count	38
7642	Exact_Mass	412.35526001
7020094	Rotatable_Bond_Count	7
1044	Tautomer_Count	4
26879	Defined_Atom_Stereo_Count	1
3058753	Undefined_Atom_Stereo_Count	0
133637885	Total_Formal_Charge	0
25716	Molecular_Weight	460.7
968645	Non-hydrogen_Atom_Count	18
132892	Undefined_Atom_Stereo_Count	1
534094	Undefined_Bond_Stereo_Count	0
26613	Total_Formal_Charge	0
81278	Defined_Bond_Stereo_Count	0
91326539	Undefined_Atom_Stereo_Count	0
22184652	Rotatable_Bond_Count	5
110806	TPSA	46.5
14647	Hydrogen_Bond_Acceptor_Count	1
4593	Defined_Bond_Stereo_Count	0
521169	Tautomer_Count	1
13624608	Exact_Mass	189.053826475
104610	Defined_Atom_Stereo_Count	0
123135747	Defined_Atom_Stereo_Count	2
14670	Non-hydrogen_Atom_Count	20
153270	XLogP3-AA	0.9
11815316	Exact_Mass	112.063662883
88482362	Molecular_Weight	108.09
1527	Isotope_Atom_Count	0
97697	Tautomer_Count	1
14601092	Undefined_Bond_Stereo_Count	0
68414798	Molecular_Weight	387.4
124708040	Molecular_Weight	342.30
37545	Structure_Complexity	31.2
444005	Rotatable_Bond_Count	14
5732	Molecular_Weight	307.4
133057415	Defined_Bond_Stereo_Count	0
15703	Undefined_Bond_Stereo_Count	0
10844367	Defined_Atom_Stereo_Count	0
636397	Undefined_Bond_Stereo_Count	0
14510945	Defined_Atom_Stereo_Count	0
14421	Undefined_Bond_Stereo_Count	0
6914	Undefined_Bond_Stereo_Count	0
163962080	Rotatable_Bond_Count	1
19078651	Hydrogen_Bond_Donor_Count	1
230920	XLogP3	2.7
3074827	Non-hydrogen_Atom_Count	18
60698	TPSA	62.5
11954041	Non-hydrogen_Atom_Count	24
535	Covalent_Unit_Count	1
5526	Molecular_Weight	157.21
50385	Hydrogen_Bond_Acceptor_Count	5
17787271	Defined_Bond_Stereo_Count	0
72758138	Covalent_Unit_Count	1
12117	Non-hydrogen_Atom_Count	16
46916401	Hydrogen_Bond_Acceptor_Count	11
9625	Covalent_Unit_Count	1
88269708	Defined_Bond_Stereo_Count	0
92158	Structure_Complexity	807
163325	Total_Formal_Charge	0
24654	Rotatable_Bond_Count	0
4070	Undefined_Atom_Stereo_Count	0
20849290	Structure_Complexity	154
18683510	Isotope_Atom_Count	0
135400471	Mono_Isotopic_Weight	241.085126602
89723675	TPSA	76.5
67271	Undefined_Atom_Stereo_Count	0
6433520	Molecular_Weight	289.33
14127	Isotope_Atom_Count	0
19952	Covalent_Unit_Count	1
10992	XLogP3	3.6
25072741	Molecular_Weight	431.4
9847219	Isotope_Atom_Count	0
299801	Covalent_Unit_Count	1
140052548	Non-hydrogen_Atom_Count	8
446600	Non-hydrogen_Atom_Count	23
14851	Exact_Mass	142.0185425
13112141	Non-hydrogen_Atom_Count	8
18049	Exact_Mass	118.099379685
6971097	Undefined_Atom_Stereo_Count	0
5209985	Rotatable_Bond_Count	4
54129211	Rotatable_Bond_Count	1
22218878	Covalent_Unit_Count	1
30337	XLogP3-AA	0.6
55603	Defined_Bond_Stereo_Count	0
41743	Non-hydrogen_Atom_Count	18
17531	Tautomer_Count	1
137072	Molecular_Weight	96.17
139626115	Non-hydrogen_Atom_Count	7
8164	TPSA	26.3
77288	Mono_Isotopic_Weight	174.14422188
9464	Molecular_Weight	203.21
9942228	Covalent_Unit_Count	2
449517	Rotatable_Bond_Count	27
541506	Total_Formal_Charge	0
5280445	Molecular_Weight	286.24
21219660	Structure_Complexity	52.1
53432675	Isotope_Atom_Count	0
92139	Defined_Bond_Stereo_Count	0
54601151	Defined_Atom_Stereo_Count	6
86472	Rotatable_Bond_Count	14
11297955	Rotatable_Bond_Count	1
23624131	Isotope_Atom_Count	0
57077346	Mono_Isotopic_Weight	105.032697108
93702	Exact_Mass	728.0672755
89349945	Non-hydrogen_Atom_Count	8
74867	Exact_Mass	220.088815002
3251	TPSA	118
24828759	Undefined_Atom_Stereo_Count	0
688093	Defined_Bond_Stereo_Count	0
16129690	Defined_Bond_Stereo_Count	0
16122612	TPSA	17
7021156	Covalent_Unit_Count	1
131664136	Rotatable_Bond_Count	36
11643846	Hydrogen_Bond_Donor_Count	5
4369413	Defined_Bond_Stereo_Count	0
499953	Rotatable_Bond_Count	3
14532580	Non-hydrogen_Atom_Count	8
19607	Rotatable_Bond_Count	8
11197252	Isotope_Atom_Count	0
6410734	Molecular_Weight	351.8
61144	Defined_Bond_Stereo_Count	0
126894	Isotope_Atom_Count	0
11782763	Exact_Mass	94.041864811
520455	Hydrogen_Bond_Donor_Count	0
21987892	Rotatable_Bond_Count	7
580518	Undefined_Bond_Stereo_Count	1
558889	TPSA	32.8
24586	TPSA	88.6
55255930	Isotope_Atom_Count	0
6917715	Covalent_Unit_Count	1
14359030	Defined_Bond_Stereo_Count	0
656917	Isotope_Atom_Count	0
144416139	Total_Formal_Charge	0
5479527	Defined_Bond_Stereo_Count	1
8820	Non-hydrogen_Atom_Count	7
203433	Total_Formal_Charge	0
9892539	Defined_Atom_Stereo_Count	0
129095087	Non-hydrogen_Atom_Count	7
76771	Mono_Isotopic_Weight	217.97208420
88957	Total_Formal_Charge	0
3056	TPSA	107
23983765	Structure_Complexity	191
158796	Rotatable_Bond_Count	7
52943718	Mono_Isotopic_Weight	404.0873882
135983	Total_Formal_Charge	0
6228	Hydrogen_Bond_Acceptor_Count	1
9812772	Exact_Mass	116.083729621
15980838	Mono_Isotopic_Weight	495.1673320
12701395	Undefined_Bond_Stereo_Count	0
545698	Isotope_Atom_Count	0
5311466	Isotope_Atom_Count	0
9871420	Undefined_Bond_Stereo_Count	0
144606028	Rotatable_Bond_Count	0
91176619	Hydrogen_Bond_Donor_Count	0
57398166	Structure_Complexity	605
124316	Hydrogen_Bond_Acceptor_Count	7
10107	Hydrogen_Bond_Acceptor_Count	4
71309671	Hydrogen_Bond_Acceptor_Count	6
17190	Undefined_Bond_Stereo_Count	0
43471	Defined_Bond_Stereo_Count	0
74229	Defined_Bond_Stereo_Count	0
6934	TPSA	88.8
6433272	Covalent_Unit_Count	1
27712	Isotope_Atom_Count	0
10909490	Undefined_Atom_Stereo_Count	0
56626310	Hydrogen_Bond_Donor_Count	0
60196366	Defined_Bond_Stereo_Count	0
44578693	Defined_Atom_Stereo_Count	1
21190979	Rotatable_Bond_Count	3
26696	Covalent_Unit_Count	1
8085	Defined_Bond_Stereo_Count	0
225	Defined_Atom_Stereo_Count	0
8407	Total_Formal_Charge	0
135410917	Defined_Bond_Stereo_Count	0
174174	Undefined_Bond_Stereo_Count	0
16211195	Defined_Atom_Stereo_Count	4
12656856	Total_Formal_Charge	0
53850714	Hydrogen_Bond_Acceptor_Count	1
135400184	Non-hydrogen_Atom_Count	20
9843089	Hydrogen_Bond_Acceptor_Count	8
6834	Hydrogen_Bond_Acceptor_Count	2
46964	Defined_Bond_Stereo_Count	0
644113	Exact_Mass	362.0224976
56471	XLogP3	0.9
11983	TPSA	17.1
56995913	Defined_Bond_Stereo_Count	0
170530	Covalent_Unit_Count	1
154525053	Molecular_Weight	106.16
23516057	Defined_Atom_Stereo_Count	0
236487	Isotope_Atom_Count	0
8672	Total_Formal_Charge	0
1342	Molecular_Weight	212.29
16130957	Defined_Atom_Stereo_Count	10
16231	Defined_Bond_Stereo_Count	0
2772687	TPSA	34.9
54153355	Structure_Complexity	240
53346592	Tautomer_Count	1
11954292	Rotatable_Bond_Count	28
927764	Mono_Isotopic_Weight	256.18992602
3018793	Defined_Atom_Stereo_Count	0
32336	Exact_Mass	430.24204178
118210179	Hydrogen_Bond_Acceptor_Count	4
118703	XLogP3-AA	4.8
19907834	Isotope_Atom_Count	0
449381	Hydrogen_Bond_Acceptor_Count	5
69762	Covalent_Unit_Count	1
6918788	Hydrogen_Bond_Acceptor_Count	16
71584405	Non-hydrogen_Atom_Count	30
135121698	Structure_Complexity	258
10297818	Covalent_Unit_Count	1
113027	Undefined_Bond_Stereo_Count	0
51380890	Molecular_Weight	275.73
40470	Hydrogen_Bond_Donor_Count	0
1805	Non-hydrogen_Atom_Count	17
23679005	Undefined_Bond_Stereo_Count	0
530423	TPSA	17.1
14502691	TPSA	12
11095	Tautomer_Count	210
51397515	Hydrogen_Bond_Acceptor_Count	12
4552	Molecular_Weight	362.23
23667548	Defined_Bond_Stereo_Count	0
136305612	Structure_Complexity	94
90725416	Mono_Isotopic_Weight	904.44565070
149229	Structure_Complexity	130
1499	Defined_Atom_Stereo_Count	0
151175776	Structure_Complexity	113
62706165	Structure_Complexity	822
95070	TPSA	66.4
7018640	Mono_Isotopic_Weight	111.079647300
7567	Hydrogen_Bond_Donor_Count	0
246724	TPSA	18.5
22609888	TPSA	83
65079	Rotatable_Bond_Count	12
14151226	TPSA	20.3
2122	Structure_Complexity	614
4068	Exact_Mass	706.84518
85859899	XLogP3-AA	0
21635253	Isotope_Atom_Count	0
135540987	Non-hydrogen_Atom_Count	29
20591068	XLogP3-AA	1.8
12940550	TPSA	40.5
40846	Molecular_Weight	492.5
16051586	Molecular_Weight	394.5
5311066	Exact_Mass	416.21988874
22661587	TPSA	3
79012	Tautomer_Count	1
5587	Undefined_Atom_Stereo_Count	0
11357	Mono_Isotopic_Weight	121.089149355
12625720	TPSA	9.2
1335	Defined_Atom_Stereo_Count	0
10986305	Mono_Isotopic_Weight	139.038176411
21908889	Exact_Mass	121.03750770
123347622	Mono_Isotopic_Weight	97.089149355
70555429	Hydrogen_Bond_Donor_Count	1
21894213	Mono_Isotopic_Weight	199.12084340
21893797	TPSA	12
16013	Undefined_Atom_Stereo_Count	0
819	Rotatable_Bond_Count	67
9548801	Defined_Atom_Stereo_Count	10
2119	Rotatable_Bond_Count	8
86999	Isotope_Atom_Count	0
11492951	Defined_Atom_Stereo_Count	0
83063	Non-hydrogen_Atom_Count	13
8130	XLogP3	2.3
9807600	Rotatable_Bond_Count	7
13349550	Total_Formal_Charge	0
1123	Undefined_Atom_Stereo_Count	0
92666	Undefined_Bond_Stereo_Count	0
52993101	Covalent_Unit_Count	1
2724039	Mono_Isotopic_Weight	209.94550188
123904644	Undefined_Atom_Stereo_Count	3
135399748	Defined_Bond_Stereo_Count	0
86590530	Rotatable_Bond_Count	0
13668	Hydrogen_Bond_Acceptor_Count	3
6276	Hydrogen_Bond_Acceptor_Count	1
5327065	Total_Formal_Charge	0
439312	Molecular_Weight	180.16
15940197	Defined_Atom_Stereo_Count	7
23725063	TPSA	141
539077	Total_Formal_Charge	0
5462653	Total_Formal_Charge	0
84811	Undefined_Atom_Stereo_Count	0
8187	Defined_Bond_Stereo_Count	0
7088	Tautomer_Count	1
62705690	Defined_Atom_Stereo_Count	0
145255275	Hydrogen_Bond_Acceptor_Count	1
13804280	Structure_Complexity	86.1
21100	Mono_Isotopic_Weight	197.10519334
46229348	Rotatable_Bond_Count	2
2724123	Defined_Atom_Stereo_Count	0
101627	TPSA	87
10032582	Covalent_Unit_Count	1
11658655	Structure_Complexity	245
30185	Defined_Bond_Stereo_Count	0
619446	Undefined_Bond_Stereo_Count	0
23690449	Molecular_Weight	506.86
547749	TPSA	20.2
45120389	Undefined_Atom_Stereo_Count	2
157010058	Defined_Bond_Stereo_Count	0
5886	Covalent_Unit_Count	1
74950937	Covalent_Unit_Count	1
11632113	Exact_Mass	371.12813423
446925	Defined_Bond_Stereo_Count	11
10061651	Non-hydrogen_Atom_Count	17
135434844	Rotatable_Bond_Count	24
22011941	Total_Formal_Charge	0
19891145	Hydrogen_Bond_Acceptor_Count	3
210	Undefined_Bond_Stereo_Count	0
139584807	Undefined_Atom_Stereo_Count	0
554363	Defined_Bond_Stereo_Count	0
44720578	Non-hydrogen_Atom_Count	7
3081358	TPSA	84.9
65111	Structure_Complexity	123
3856780	Exact_Mass	231.02800565
60196335	Undefined_Bond_Stereo_Count	0
73265408	Undefined_Bond_Stereo_Count	5
90472752	Exact_Mass	181.06674293
11954041	Undefined_Bond_Stereo_Count	0
4656	Non-hydrogen_Atom_Count	15
50925404	Structure_Complexity	685
134767951	Defined_Atom_Stereo_Count	3
10909908	Covalent_Unit_Count	1
18936143	Defined_Bond_Stereo_Count	0
142962972	Exact_Mass	110.073164938
126969105	Undefined_Atom_Stereo_Count	0
5702237	Mono_Isotopic_Weight	317.11106656
41545	Undefined_Atom_Stereo_Count	0
60121	Undefined_Atom_Stereo_Count	0
23982	Mono_Isotopic_Weight	157.92411
7029	Total_Formal_Charge	0
14462	Covalent_Unit_Count	1
84647648	Mono_Isotopic_Weight	110.084398327
44395178	Undefined_Bond_Stereo_Count	0
89312617	Defined_Atom_Stereo_Count	0
25243853	Molecular_Weight	436.5
67641738	Defined_Bond_Stereo_Count	0
5464190	Undefined_Bond_Stereo_Count	0
98771	TPSA	41.1
19067998	Undefined_Bond_Stereo_Count	0
16667736	Hydrogen_Bond_Donor_Count	2
12201381	Mono_Isotopic_Weight	99.043261792
13317841	TPSA	37.3
56928080	Non-hydrogen_Atom_Count	39
4545429	Molecular_Weight	391.3
137249786	Structure_Complexity	1140
72200848	Hydrogen_Bond_Acceptor_Count	7
122224053	Hydrogen_Bond_Acceptor_Count	2
10857507	Rotatable_Bond_Count	3
19738210	XLogP3-AA	1
13212923	Mono_Isotopic_Weight	99.104799419
23663973	Defined_Bond_Stereo_Count	0
8855	XLogP3-AA	1.6
71567	Undefined_Atom_Stereo_Count	0
129848458	Structure_Complexity	525
59486	Undefined_Atom_Stereo_Count	1
445995	Tautomer_Count	1
86956	Molecular_Weight	228.4
84715998	Isotope_Atom_Count	0
287983	Non-hydrogen_Atom_Count	6
1223	Total_Formal_Charge	0
58996537	Defined_Atom_Stereo_Count	0
91895876	Non-hydrogen_Atom_Count	31
87110828	Mono_Isotopic_Weight	688.34721450
102491	Molecular_Weight	158.24
55290736	Isotope_Atom_Count	0
17407	Undefined_Atom_Stereo_Count	0
67548	Isotope_Atom_Count	0
714222	Defined_Bond_Stereo_Count	0
941	Isotope_Atom_Count	0
6335507	Defined_Atom_Stereo_Count	2
92822	TPSA	49.7
157736	Non-hydrogen_Atom_Count	22
18730046	Defined_Bond_Stereo_Count	0
79003661	Structure_Complexity	120
2794666	TPSA	58.6
7262	Undefined_Atom_Stereo_Count	0
23730921	XLogP3-AA	0.3
33710	XLogP3-AA	15.771
9548620	Exact_Mass	373.05012353
78494	Exact_Mass	136.052429494
90352849	Non-hydrogen_Atom_Count	8
89578803	XLogP3-AA	1.5
2581	Hydrogen_Bond_Donor_Count	2
68260	Exact_Mass	210.140850574
12248932	Isotope_Atom_Count	0
25072741	Exact_Mass	431.14567599
140523	Structure_Complexity	194
17004	Covalent_Unit_Count	1
7472	Rotatable_Bond_Count	1
9319	Mono_Isotopic_Weight	285.17625028
188914	Exact_Mass	274.1003540
547686	Non-hydrogen_Atom_Count	8
6418719	Hydrogen_Bond_Acceptor_Count	10
54581630	Mono_Isotopic_Weight	254.05790880
53356659	Structure_Complexity	1580
84221363	Isotope_Atom_Count	0
117659387	Undefined_Atom_Stereo_Count	2
3246495	Total_Formal_Charge	0
115140	Non-hydrogen_Atom_Count	21
13838145	Mono_Isotopic_Weight	92.062600255
3435	Exact_Mass	225.03857033
34767	Molecular_Weight	171.19
380929	Total_Formal_Charge	0
62926	Total_Formal_Charge	0
5153297	Molecular_Weight	130.13
535535	Hydrogen_Bond_Acceptor_Count	1
19159	Defined_Atom_Stereo_Count	0
610682	Mono_Isotopic_Weight	210.115698455
23476	Covalent_Unit_Count	4
118513932	XLogP3-AA	0.5
1006	Undefined_Atom_Stereo_Count	2
135456161	Undefined_Bond_Stereo_Count	0
79048	Molecular_Weight	98.14
12441598	Mono_Isotopic_Weight	116.083729621
86359	Molecular_Weight	320.0
78808	Structure_Complexity	69.2
54169757	Rotatable_Bond_Count	3
20448998	Defined_Bond_Stereo_Count	0
7584	TPSA	20.2
1779	Defined_Atom_Stereo_Count	0
10887840	Hydrogen_Bond_Donor_Count	1
72849	TPSA	0
129680429	Non-hydrogen_Atom_Count	21
35365	Total_Formal_Charge	0
458645	Exact_Mass	418.2512821
42208	Structure_Complexity	716
20605239	Rotatable_Bond_Count	0
87035	Hydrogen_Bond_Donor_Count	2
134826477	Non-hydrogen_Atom_Count	49
28080	Isotope_Atom_Count	0
25201976	Non-hydrogen_Atom_Count	13
54684461	Defined_Atom_Stereo_Count	6
45789889	Structure_Complexity	49.5
153427669	Isotope_Atom_Count	0
10909485	Undefined_Bond_Stereo_Count	0
21136198	TPSA	18.5
5253	Defined_Bond_Stereo_Count	0
9282	Structure_Complexity	1180
445638	Total_Formal_Charge	0
91427979	TPSA	0
55299417	Hydrogen_Bond_Acceptor_Count	0
133728	Undefined_Bond_Stereo_Count	0
286	Total_Formal_Charge	0
9867061	Non-hydrogen_Atom_Count	30
22033763	Mono_Isotopic_Weight	98.036779430
3251	Hydrogen_Bond_Acceptor_Count	6
31297	Undefined_Bond_Stereo_Count	0
635911	Exact_Mass	590.31043507
22559336	TPSA	9.2
21218701	Undefined_Atom_Stereo_Count	1
34173590	Covalent_Unit_Count	1
3083802	Mono_Isotopic_Weight	316.1553704
3835970	Defined_Bond_Stereo_Count	0
9955820	Defined_Atom_Stereo_Count	0
15558640	Structure_Complexity	574
2210	Non-hydrogen_Atom_Count	24
44445686	Mono_Isotopic_Weight	416.32904526
8346	Undefined_Bond_Stereo_Count	0
20769	Structure_Complexity	125
1368742	Total_Formal_Charge	0
2898	XLogP3-AA	5.5
16230	Defined_Atom_Stereo_Count	0
12622120	Mono_Isotopic_Weight	218.05790880
14145	Total_Formal_Charge	0
131801303	Exact_Mass	1220.61898316
18730043	TPSA	0
15908	Hydrogen_Bond_Acceptor_Count	3
8141	Hydrogen_Bond_Acceptor_Count	0
140442165	Non-hydrogen_Atom_Count	85
11007849	Molecular_Weight	112.17
71455277	Isotope_Atom_Count	0
165286	Rotatable_Bond_Count	0
28459	Defined_Atom_Stereo_Count	0
18353888	Mono_Isotopic_Weight	350.16891579
54404212	Covalent_Unit_Count	1
5713976	Hydrogen_Bond_Acceptor_Count	3
449488	Mono_Isotopic_Weight	72.068748264
961	Covalent_Unit_Count	1
9916237	Non-hydrogen_Atom_Count	22
52988031	Defined_Atom_Stereo_Count	0
140659510	Rotatable_Bond_Count	1
9903930	Hydrogen_Bond_Acceptor_Count	4
97792	Molecular_Weight	132.16
516644	TPSA	30.3
19432668	Rotatable_Bond_Count	2
57465876	Total_Formal_Charge	0
12385252	Isotope_Atom_Count	0
163722493	Defined_Atom_Stereo_Count	0
21041051	Covalent_Unit_Count	1
20041	Defined_Bond_Stereo_Count	0
43432	Covalent_Unit_Count	1
66509054	Isotope_Atom_Count	0
27826	Tautomer_Count	1
57384039	Isotope_Atom_Count	0
23665765	Hydrogen_Bond_Donor_Count	0
71342117	Defined_Bond_Stereo_Count	0
403805	Non-hydrogen_Atom_Count	43
114682	Rotatable_Bond_Count	2
88525	Undefined_Atom_Stereo_Count	0
316249	Defined_Atom_Stereo_Count	0
22055193	Covalent_Unit_Count	1
9970749	Exact_Mass	277.0188941
20473149	Defined_Atom_Stereo_Count	0
73416227	Defined_Atom_Stereo_Count	4
24611	Hydrogen_Bond_Donor_Count	0
642669	Exact_Mass	224.11609238
54023308	Non-hydrogen_Atom_Count	7
11294	Structure_Complexity	516
5284543	Defined_Atom_Stereo_Count	5
65084	Molecular_Weight	306.27
44719848	Hydrogen_Bond_Acceptor_Count	1
24868286	Exact_Mass	254.9966172
10199016	Hydrogen_Bond_Donor_Count	3
25244017	Molecular_Weight	336.34
6625	XLogP3	3.9
755	Covalent_Unit_Count	1
12305986	Rotatable_Bond_Count	0
18397995	Molecular_Weight	645.6
19731	Non-hydrogen_Atom_Count	45
85538	Isotope_Atom_Count	0
11673085	Defined_Bond_Stereo_Count	0
137955303	Mono_Isotopic_Weight	109.052763847
131954782	Exact_Mass	1348.60159125
11744314	XLogP3-AA	2.8
566069	XLogP3-AA	2.2
18711468	Mono_Isotopic_Weight	96.093900383
436543	Exact_Mass	223.136099547
115089	Defined_Bond_Stereo_Count	0
5469318	Undefined_Atom_Stereo_Count	0
79045	Isotope_Atom_Count	0
12348	Defined_Atom_Stereo_Count	0
5359367	Undefined_Bond_Stereo_Count	0
119032	TPSA	108
13348002	Rotatable_Bond_Count	0
79783	Structure_Complexity	54.3
6810	TPSA	43.4
10921	Isotope_Atom_Count	0
73759973	Rotatable_Bond_Count	1
57078122	Defined_Bond_Stereo_Count	0
53304446	Undefined_Bond_Stereo_Count	0
118183199	Hydrogen_Bond_Acceptor_Count	2
79083	TPSA	40.5
58270418	Covalent_Unit_Count	1
11007859	Undefined_Atom_Stereo_Count	0
16733194	Defined_Atom_Stereo_Count	0
54216748	Rotatable_Bond_Count	2
135860757	Molecular_Weight	389.9
13465757	Structure_Complexity	261
135027	Total_Formal_Charge	0
6818	Molecular_Weight	334.4
6440792	Defined_Atom_Stereo_Count	1
12210211	Non-hydrogen_Atom_Count	8
20784557	Structure_Complexity	80.5
3607724	Hydrogen_Bond_Donor_Count	1
23663977	Rotatable_Bond_Count	14
91770	TPSA	91.6
69046	XLogP3-AA	3.6
22856734	Hydrogen_Bond_Donor_Count	1
14189996	Mono_Isotopic_Weight	232.0654927
21768	Non-hydrogen_Atom_Count	11
98017	TPSA	55.8
5464562	Rotatable_Bond_Count	10
523523	XLogP3-AA	2.3
4849	Isotope_Atom_Count	0
70838	Covalent_Unit_Count	1
21895383	Defined_Bond_Stereo_Count	0
522007	Tautomer_Count	1
42611257	Defined_Atom_Stereo_Count	0
45110509	Undefined_Bond_Stereo_Count	0
86088606	Non-hydrogen_Atom_Count	8
6446	Total_Formal_Charge	0
82728	Non-hydrogen_Atom_Count	11
69452237	Structure_Complexity	503
56672298	Structure_Complexity	680
56680335	Undefined_Atom_Stereo_Count	0
533848	Undefined_Atom_Stereo_Count	0
22481847	Hydrogen_Bond_Acceptor_Count	2
22416599	Defined_Atom_Stereo_Count	0
52944411	Exact_Mass	387.11946125
3738	Isotope_Atom_Count	0
45116623	Molecular_Weight	101.10
130035834	Undefined_Bond_Stereo_Count	0
21715653	Hydrogen_Bond_Donor_Count	0
123679079	Undefined_Atom_Stereo_Count	2
15442507	XLogP3-AA	0.7
55288974	Mono_Isotopic_Weight	111.068413911
8159	Tautomer_Count	1
86510	Undefined_Atom_Stereo_Count	1
20056828	Hydrogen_Bond_Acceptor_Count	18
5462814	Hydrogen_Bond_Donor_Count	2
49806720	Non-hydrogen_Atom_Count	36
53856389	Defined_Atom_Stereo_Count	0
23665759	Non-hydrogen_Atom_Count	6
24180719	Mono_Isotopic_Weight	413.0412465
17355	Total_Formal_Charge	0
49808	Rotatable_Bond_Count	6
56843898	Exact_Mass	418.013115
5494425	Defined_Atom_Stereo_Count	0
23649154	Isotope_Atom_Count	0
165367979	Hydrogen_Bond_Donor_Count	12
20483617	Hydrogen_Bond_Acceptor_Count	2
77927	Defined_Bond_Stereo_Count	0
20323	TPSA	122
136041721	Hydrogen_Bond_Donor_Count	4
557816	Non-hydrogen_Atom_Count	8
79004	Undefined_Atom_Stereo_Count	1
45485695	Mono_Isotopic_Weight	583.2901736
23262897	Isotope_Atom_Count	0
31307	XLogP3	1.2
11234351	Molecular_Weight	380.4
9863447	Isotope_Atom_Count	0
74506	Tautomer_Count	1
25008120	Covalent_Unit_Count	3
25023847	XLogP3-AA	3
9957217	Covalent_Unit_Count	1
70589	Total_Formal_Charge	0
16116961	Non-hydrogen_Atom_Count	35
580753	Undefined_Bond_Stereo_Count	0
124886	Defined_Atom_Stereo_Count	2
694466	Total_Formal_Charge	0
9324	Rotatable_Bond_Count	3
15561473	Hydrogen_Bond_Donor_Count	2
2077	XLogP3-AA	2.1
543014	Total_Formal_Charge	0
49597	Molecular_Weight	311.76
81531	Exact_Mass	129.151749610
7807	Hydrogen_Bond_Donor_Count	1
12217061	XLogP3-AA	0.4
25202592	Molecular_Weight	129.16
20913	Undefined_Atom_Stereo_Count	0
43986	TPSA	26.8
140551	Isotope_Atom_Count	0
154474669	Hydrogen_Bond_Donor_Count	2
24737670	Structure_Complexity	529
45026	Mono_Isotopic_Weight	293.16270821
123803633	Total_Formal_Charge	0
8510	TPSA	80
135686255	Structure_Complexity	342
12020	Rotatable_Bond_Count	2
89767	TPSA	129
63853	Molecular_Weight	363.4
1951	Undefined_Bond_Stereo_Count	0
5282437	Structure_Complexity	1060
158032	TPSA	45.8
662986	Covalent_Unit_Count	1
62978	TPSA	175
108223	Mono_Isotopic_Weight	164.06847348
6918589	Covalent_Unit_Count	1
85694	Mono_Isotopic_Weight	398.28209507
158627	Undefined_Atom_Stereo_Count	0
54689800	Rotatable_Bond_Count	4
524211	Structure_Complexity	149
42586	Undefined_Atom_Stereo_Count	1
54033586	Exact_Mass	112.088815002
70763	Exact_Mass	142.135765193
10666310	Defined_Atom_Stereo_Count	5
35162	Defined_Atom_Stereo_Count	0
6710664	Total_Formal_Charge	0
54925	TPSA	115
67528035	Undefined_Atom_Stereo_Count	0
72582	Total_Formal_Charge	0
71738	Defined_Bond_Stereo_Count	0
986	Covalent_Unit_Count	1
23724556	Undefined_Atom_Stereo_Count	7
716312	TPSA	63.3
56984356	Mono_Isotopic_Weight	102.031694049
11742188	Rotatable_Bond_Count	4
87868	Exact_Mass	242.15180918
17907809	TPSA	69.6
79323706	Hydrogen_Bond_Donor_Count	1
292429	Total_Formal_Charge	0
83814961	Mono_Isotopic_Weight	111.068413911
81885	TPSA	27.7
107999	Mono_Isotopic_Weight	315.1138399
70299	Molecular_Weight	172.56
4366	Molecular_Weight	188.23
53960	Undefined_Bond_Stereo_Count	0
72741573	Defined_Bond_Stereo_Count	0
140639440	Molecular_Weight	357.3
5514	Rotatable_Bond_Count	3
10914	Non-hydrogen_Atom_Count	12
21922278	Defined_Atom_Stereo_Count	0
24808640	Hydrogen_Bond_Donor_Count	0
88533	Defined_Atom_Stereo_Count	0
33845	Structure_Complexity	268
5327131	Isotope_Atom_Count	0
118210492	Defined_Atom_Stereo_Count	0
20821294	Covalent_Unit_Count	1
5361043	XLogP3-AA	2.2
701542	Undefined_Atom_Stereo_Count	0
23642	Undefined_Bond_Stereo_Count	0
40466974	Undefined_Bond_Stereo_Count	0
76319	Hydrogen_Bond_Acceptor_Count	1
15677	Undefined_Bond_Stereo_Count	0
1877	Non-hydrogen_Atom_Count	24
10199068	Defined_Atom_Stereo_Count	2
12231381	Hydrogen_Bond_Donor_Count	0
4253	Molecular_Weight	285.34
12635750	Isotope_Atom_Count	0
42627755	Mono_Isotopic_Weight	332.14979254
28693	Exact_Mass	403.22597718
6438394	Undefined_Bond_Stereo_Count	0
5288033	Defined_Atom_Stereo_Count	0
89129308	Molecular_Weight	114.19
14706	Structure_Complexity	432
139584807	Isotope_Atom_Count	0
12556904	Mono_Isotopic_Weight	116.083729621
14179013	Defined_Atom_Stereo_Count	3
52944681	Exact_Mass	399.13944780
119119	Undefined_Bond_Stereo_Count	0
5746387	Defined_Bond_Stereo_Count	0
67643801	Structure_Complexity	84.2
3058754	Hydrogen_Bond_Acceptor_Count	8
5330790	Hydrogen_Bond_Donor_Count	3
5324166	Rotatable_Bond_Count	2
11604525	Undefined_Atom_Stereo_Count	0
869249	Rotatable_Bond_Count	1
7019	Non-hydrogen_Atom_Count	15
12657448	Defined_Bond_Stereo_Count	0
51026956	Undefined_Bond_Stereo_Count	0
447078	Exact_Mass	747.57780557
61370	Defined_Atom_Stereo_Count	0
4714721	Mono_Isotopic_Weight	112.052429494
18170	Hydrogen_Bond_Donor_Count	0
34481	Mono_Isotopic_Weight	292.08479225
57390700	Total_Formal_Charge	0
20498	Rotatable_Bond_Count	5
102090452	TPSA	320
26533	Mono_Isotopic_Weight	223.10308534
9396	TPSA	44.8
135578046	Total_Formal_Charge	0
23616254	Structure_Complexity	299
81	Undefined_Bond_Stereo_Count	0
521218	TPSA	9.2
4653	Molecular_Weight	139.17
54584353	Exact_Mass	428.20597001
65836	Molecular_Weight	324.2
25023854	Isotope_Atom_Count	0
11768576	Covalent_Unit_Count	1
65770	Undefined_Bond_Stereo_Count	0
12634652	Hydrogen_Bond_Donor_Count	0
10476254	Total_Formal_Charge	0
17833	Total_Formal_Charge	0
12107	Undefined_Bond_Stereo_Count	0
5282428	Rotatable_Bond_Count	8
5320621	Defined_Bond_Stereo_Count	2
12452048	Total_Formal_Charge	0
139074319	Mono_Isotopic_Weight	455.19317399
400	Hydrogen_Bond_Donor_Count	1
89904392	Hydrogen_Bond_Acceptor_Count	3
108835	Exact_Mass	157.07389321
133687604	Mono_Isotopic_Weight	408.1703517
176166	Tautomer_Count	3
69188	Defined_Bond_Stereo_Count	0
65482	Mono_Isotopic_Weight	381.17606686
46936613	Rotatable_Bond_Count	8
13349550	Structure_Complexity	150
16733482	XLogP3-AA	2.8
449123	Molecular_Weight	674.7
54585643	TPSA	89
22125	Defined_Bond_Stereo_Count	0
11104792	Hydrogen_Bond_Donor_Count	3
69333790	Mono_Isotopic_Weight	113.058911855
21617086	Non-hydrogen_Atom_Count	8
3690	Rotatable_Bond_Count	5
452110	Rotatable_Bond_Count	40
122235961	Undefined_Atom_Stereo_Count	2
131162679	Mono_Isotopic_Weight	117.078978594
11655119	Rotatable_Bond_Count	6
5289590	Tautomer_Count	5
31297	Hydrogen_Bond_Acceptor_Count	2
3570	XLogP3-AA	3.9
10864881	Exact_Mass	114.068079557
70690019	Rotatable_Bond_Count	4
57395974	Total_Formal_Charge	0
2997	Molecular_Weight	270.71
55291451	Total_Formal_Charge	0
46936582	Total_Formal_Charge	0
32283	Hydrogen_Bond_Acceptor_Count	2
119096546	Hydrogen_Bond_Acceptor_Count	3
352335	Non-hydrogen_Atom_Count	17
11083834	Structure_Complexity	76.1
11332423	Undefined_Bond_Stereo_Count	0
6427102	Undefined_Bond_Stereo_Count	0
636368	Molecular_Weight	484.5
97660	Total_Formal_Charge	0
44400351	Defined_Bond_Stereo_Count	0
121209144	Exact_Mass	113.084063974
5282198	Undefined_Atom_Stereo_Count	0
564996	Hydrogen_Bond_Donor_Count	0
137105	Rotatable_Bond_Count	0
53708664	Defined_Atom_Stereo_Count	0
3055957	Undefined_Bond_Stereo_Count	0
57394021	Non-hydrogen_Atom_Count	32
81574	Covalent_Unit_Count	1
9837419	Defined_Bond_Stereo_Count	0
199539	Defined_Bond_Stereo_Count	0
10291131	Exact_Mass	343.11956635
23681233	Structure_Complexity	544
79571	Exact_Mass	141.078978594
945090	Structure_Complexity	369
55285	Undefined_Bond_Stereo_Count	0
693802	Isotope_Atom_Count	0
6918193	Undefined_Atom_Stereo_Count	0
469717	Hydrogen_Bond_Acceptor_Count	4
75564	TPSA	43.1
114523	Molecular_Weight	160.25
7707	Defined_Atom_Stereo_Count	0
6432729	Molecular_Weight	388.7
60154328	Mono_Isotopic_Weight	285.13380813
188987	Isotope_Atom_Count	0
72199540	Rotatable_Bond_Count	15
98341	Tautomer_Count	4
154083	Non-hydrogen_Atom_Count	18
565005	Isotope_Atom_Count	0
519842	XLogP3-AA	1.7
24229456	Rotatable_Bond_Count	0
1482	Rotatable_Bond_Count	4
15267570	Hydrogen_Bond_Acceptor_Count	4
12932	Rotatable_Bond_Count	10
2734164	Defined_Atom_Stereo_Count	0
23180086	Hydrogen_Bond_Acceptor_Count	3
15273943	Mono_Isotopic_Weight	112.052429494
31072	Undefined_Bond_Stereo_Count	0
44560574	Covalent_Unit_Count	1
140830181	Structure_Complexity	96
92550	Tautomer_Count	1
44134533	Molecular_Weight	328.51
77507	Defined_Bond_Stereo_Count	0
9886917	Mono_Isotopic_Weight	394.15287181
164550	Hydrogen_Bond_Acceptor_Count	5
4707	Defined_Atom_Stereo_Count	0
92416	Isotope_Atom_Count	0
30214	TPSA	26
56944144	TPSA	77
15273920	XLogP3-AA	1
16754849	Undefined_Bond_Stereo_Count	0
6421	Covalent_Unit_Count	1
2164	TPSA	75.3
91760	Covalent_Unit_Count	1
3911	Mono_Isotopic_Weight	1208.64546218
53442911	Total_Formal_Charge	0
6918078	Structure_Complexity	402
90884886	Isotope_Atom_Count	0
21973740	Undefined_Bond_Stereo_Count	0
83703	Defined_Atom_Stereo_Count	0
72196	Defined_Bond_Stereo_Count	0
3777	TPSA	83.8
11338127	Mono_Isotopic_Weight	385.15387487
12348	Hydrogen_Bond_Acceptor_Count	2
23674496	Covalent_Unit_Count	2
443939	Total_Formal_Charge	0
68944676	Covalent_Unit_Count	1
37448	Covalent_Unit_Count	5
2109	Tautomer_Count	1
10285	Rotatable_Bond_Count	0
171995	Covalent_Unit_Count	3
10167713	XLogP3-AA	5
60150535	Hydrogen_Bond_Donor_Count	2
67277	Defined_Bond_Stereo_Count	0
58817179	TPSA	62.8
58492	Hydrogen_Bond_Donor_Count	2
57395973	Hydrogen_Bond_Acceptor_Count	4
23672064	Hydrogen_Bond_Donor_Count	2
89875063	Total_Formal_Charge	0
26534	Molecular_Weight	259.80
9925544	Defined_Bond_Stereo_Count	1
41209	Isotope_Atom_Count	0
222171	Total_Formal_Charge	0
51381	Undefined_Atom_Stereo_Count	0
8263	Undefined_Atom_Stereo_Count	0
22310945	Undefined_Bond_Stereo_Count	0
44419427	Defined_Atom_Stereo_Count	6
6971070	Covalent_Unit_Count	1
22990584	Defined_Bond_Stereo_Count	0
168447	Structure_Complexity	116
15604015	Defined_Atom_Stereo_Count	0
20527	Defined_Atom_Stereo_Count	0
6931238	Structure_Complexity	171
93130	Isotope_Atom_Count	0
5355863	Rotatable_Bond_Count	6
39752	Defined_Atom_Stereo_Count	0
277826	Hydrogen_Bond_Acceptor_Count	1
18635	Molecular_Weight	104.17
10355488	Rotatable_Bond_Count	1
12278364	Covalent_Unit_Count	1
145706202	Non-hydrogen_Atom_Count	33
129872	TPSA	6.5
6880	Mono_Isotopic_Weight	182.05790880
64929	Covalent_Unit_Count	1
64927	Undefined_Atom_Stereo_Count	1
57820	Hydrogen_Bond_Donor_Count	2
42790	Covalent_Unit_Count	3
122360911	Structure_Complexity	151
8195	Non-hydrogen_Atom_Count	13
18596	TPSA	40.1
524215	Mono_Isotopic_Weight	106.078250319
18432427	Structure_Complexity	286
66636	Undefined_Atom_Stereo_Count	0
10866664	Undefined_Bond_Stereo_Count	0
49296	Hydrogen_Bond_Donor_Count	2
23847	Undefined_Bond_Stereo_Count	0
25202562	Exact_Mass	357.958759
45357473	Undefined_Atom_Stereo_Count	3
43558816	Molecular_Weight	114.10
17671	Structure_Complexity	206
109198	Structure_Complexity	445
69341007	Undefined_Atom_Stereo_Count	0
25780	Defined_Atom_Stereo_Count	0
545800	Undefined_Bond_Stereo_Count	0
20259182	Total_Formal_Charge	0
167693	Non-hydrogen_Atom_Count	7
2775941	Undefined_Bond_Stereo_Count	0
75690	Molecular_Weight	254.40
60943	Molecular_Weight	620.5
91753565	Hydrogen_Bond_Acceptor_Count	0
77051	Exact_Mass	190.062994177
155804760	Defined_Bond_Stereo_Count	0
51931	Structure_Complexity	208
72257	Covalent_Unit_Count	1
96380	Isotope_Atom_Count	0
644007	Exact_Mass	289.13140809
147610634	TPSA	26
9486	Defined_Bond_Stereo_Count	0
290807	Exact_Mass	115.099714038
49867938	Structure_Complexity	2330
67505	XLogP3-AA	1.9
90488715	Mono_Isotopic_Weight	1018.44048069
10460941	Rotatable_Bond_Count	12
135398570	Defined_Atom_Stereo_Count	4
129905275	Hydrogen_Bond_Acceptor_Count	8
138062	Total_Formal_Charge	0
5335	Defined_Atom_Stereo_Count	0
136254272	Non-hydrogen_Atom_Count	28
126969105	Undefined_Bond_Stereo_Count	0
21753162	TPSA	55.6
11544170	TPSA	66
48040	Mono_Isotopic_Weight	388.1917559
54469425	XLogP3-AA	0.3
34023	XLogP3	1.2
60196375	Molecular_Weight	587.7
13059495	Defined_Atom_Stereo_Count	6
3080825	Non-hydrogen_Atom_Count	14
92626	XLogP3-AA	3.7
5384411	Isotope_Atom_Count	0
135409474	Exact_Mass	316.04775529
153	Exact_Mass	295.05693679
24916993	Undefined_Bond_Stereo_Count	0
192160	Rotatable_Bond_Count	0
13129	Hydrogen_Bond_Donor_Count	0
10017019	Undefined_Bond_Stereo_Count	0
134879127	Non-hydrogen_Atom_Count	23
81184	Tautomer_Count	3
67807	Defined_Atom_Stereo_Count	0
104903	Rotatable_Bond_Count	6
44193111	Exact_Mass	396.1040837
87140770	Undefined_Atom_Stereo_Count	1
41555	Undefined_Atom_Stereo_Count	0
141689	Rotatable_Bond_Count	0
9828626	XLogP3	13.5
66330	Exact_Mass	178.062994177
7056	Undefined_Atom_Stereo_Count	0
23262319	Exact_Mass	98.073164938
85238	TPSA	24.1
15601	Hydrogen_Bond_Acceptor_Count	4
987917	Exact_Mass	379.88706
55790	TPSA	34.5
25261	Covalent_Unit_Count	2
44144429	Mono_Isotopic_Weight	559.12774
12285877	Undefined_Atom_Stereo_Count	0
89408	XLogP3-AA	3.3
232080	Rotatable_Bond_Count	4
160430	TPSA	84.6
135409548	Exact_Mass	327.09675391
14578458	Structure_Complexity	74.5
39266	Tautomer_Count	1
39174	Defined_Bond_Stereo_Count	0
70692444	Molecular_Weight	291.5
30720	Undefined_Atom_Stereo_Count	0
85141	Mono_Isotopic_Weight	185.96803
3941	Total_Formal_Charge	0
71530	Total_Formal_Charge	1
22967002	Isotope_Atom_Count	0
20553	Molecular_Weight	85.10
23681559	Undefined_Atom_Stereo_Count	0
6141	Defined_Bond_Stereo_Count	0
59557415	Non-hydrogen_Atom_Count	8
5458585	Rotatable_Bond_Count	15
165653078	Covalent_Unit_Count	1
135449327	Defined_Bond_Stereo_Count	0
13073879	Undefined_Atom_Stereo_Count	0
61614676	Covalent_Unit_Count	1
23687810	Tautomer_Count	1
54689800	XLogP3	1.8
91994885	Undefined_Bond_Stereo_Count	0
149514	Total_Formal_Charge	0
792027	Tautomer_Count	1
54418364	Total_Formal_Charge	0
51683	TPSA	63.9
84647732	Undefined_Atom_Stereo_Count	1
6485793	Non-hydrogen_Atom_Count	28
402045	Structure_Complexity	719
45358438	Total_Formal_Charge	0
71366347	Mono_Isotopic_Weight	86.036779430
128913	Tautomer_Count	1
2791	Hydrogen_Bond_Acceptor_Count	6
135398700	Rotatable_Bond_Count	0
62902	Undefined_Bond_Stereo_Count	0
5359327	Undefined_Bond_Stereo_Count	0
123865	TPSA	248
119606	Rotatable_Bond_Count	5
2915	Isotope_Atom_Count	0
2324	Total_Formal_Charge	0
142852216	TPSA	29.5
53853926	TPSA	42.2
11582651	Defined_Atom_Stereo_Count	1
22859	Non-hydrogen_Atom_Count	32
135564847	Hydrogen_Bond_Donor_Count	8
2778	Non-hydrogen_Atom_Count	49
21285	Isotope_Atom_Count	0
5484735	Non-hydrogen_Atom_Count	34
160617	Undefined_Bond_Stereo_Count	0
22027387	Undefined_Atom_Stereo_Count	0
737	Exact_Mass	339.99604987
12725	Isotope_Atom_Count	0
14833	Molecular_Weight	159.69
10459649	Hydrogen_Bond_Donor_Count	2
135747285	Rotatable_Bond_Count	6
17814354	Undefined_Bond_Stereo_Count	0
6442177	XLogP3-AA	5.9
19998	Rotatable_Bond_Count	2
12958096	Molecular_Weight	128.18
18755330	Hydrogen_Bond_Donor_Count	2
141363	Undefined_Atom_Stereo_Count	0
6473973	Undefined_Atom_Stereo_Count	2
21614701	Undefined_Atom_Stereo_Count	0
6915944	Hydrogen_Bond_Donor_Count	4
71076901	Undefined_Bond_Stereo_Count	0
16217112	Hydrogen_Bond_Donor_Count	5
56834578	Hydrogen_Bond_Acceptor_Count	8
87089	Exact_Mass	290.153146591
10809009	Non-hydrogen_Atom_Count	25
11013485	Isotope_Atom_Count	0
51701	Isotope_Atom_Count	0
6437850	TPSA	26
15189029	Isotope_Atom_Count	0
23693089	Defined_Bond_Stereo_Count	0
9849313	Structure_Complexity	673
242436	Structure_Complexity	487
3852430	XLogP3-AA	4.2
12089	TPSA	75.4
44521019	Non-hydrogen_Atom_Count	30
688803	Defined_Atom_Stereo_Count	0
62311	Defined_Bond_Stereo_Count	0
53318411	Hydrogen_Bond_Acceptor_Count	4
9869776	Hydrogen_Bond_Acceptor_Count	10
24434	Molecular_Weight	101.103
116047519	Molecular_Weight	113.16
2723770	Undefined_Atom_Stereo_Count	0
7973	Covalent_Unit_Count	1
8323	Tautomer_Count	12
11954321	Exact_Mass	251.06545379
41506	Exact_Mass	346.13805082
69430	Undefined_Atom_Stereo_Count	0
54675783	TPSA	165
64200	Hydrogen_Bond_Acceptor_Count	2
54608508	Non-hydrogen_Atom_Count	73
213039	Hydrogen_Bond_Donor_Count	3
39095	Exact_Mass	321.0767857
14566517	Rotatable_Bond_Count	0
71578106	Covalent_Unit_Count	1
17118	Molecular_Weight	251.71
4621	TPSA	64.1
10246505	Defined_Atom_Stereo_Count	0
131	Rotatable_Bond_Count	8
4355	Isotope_Atom_Count	0
16727404	Rotatable_Bond_Count	4
35898	Defined_Bond_Stereo_Count	0
6603822	Exact_Mass	301.298079487
71743826	Exact_Mass	112.088815002
135616187	Defined_Bond_Stereo_Count	2
66908206	Non-hydrogen_Atom_Count	8
2724537	Exact_Mass	73.089149355
44093	Defined_Bond_Stereo_Count	0
13858	Defined_Atom_Stereo_Count	0
67330085	TPSA	169
17559	TPSA	205
5808883	Defined_Atom_Stereo_Count	0
447378	Rotatable_Bond_Count	6
13032	Structure_Complexity	82.7
54585373	Hydrogen_Bond_Acceptor_Count	8
10950142	Undefined_Bond_Stereo_Count	0
177323	Rotatable_Bond_Count	6
84598	Defined_Bond_Stereo_Count	0
79050	Total_Formal_Charge	0
117516	Covalent_Unit_Count	1
84063981	Structure_Complexity	124
5388936	Hydrogen_Bond_Acceptor_Count	11
64560	Molecular_Weight	290.5
9823293	Defined_Bond_Stereo_Count	0
56955286	Undefined_Bond_Stereo_Count	0
79043	TPSA	0
535	Undefined_Atom_Stereo_Count	0
16218742	Undefined_Bond_Stereo_Count	0
88482362	Hydrogen_Bond_Donor_Count	0
40466884	Hydrogen_Bond_Donor_Count	2
12462026	Covalent_Unit_Count	1
12295520	Exact_Mass	110.084398327
21161643	Defined_Bond_Stereo_Count	0
84440	Total_Formal_Charge	0
9847164	Hydrogen_Bond_Acceptor_Count	5
528405	Structure_Complexity	74.9
6779	Defined_Atom_Stereo_Count	0
2789	Undefined_Atom_Stereo_Count	0
433294	Total_Formal_Charge	0
96379	Rotatable_Bond_Count	6
7801	Total_Formal_Charge	0
17820198	Defined_Bond_Stereo_Count	0
52508	Undefined_Atom_Stereo_Count	1
12377442	Undefined_Atom_Stereo_Count	1
5462346	Mono_Isotopic_Weight	477.23626707
135398640	Rotatable_Bond_Count	4
135565106	Hydrogen_Bond_Donor_Count	2
7817	Tautomer_Count	6
4633677	Hydrogen_Bond_Acceptor_Count	5
83270	TPSA	46.2
44144	Hydrogen_Bond_Acceptor_Count	5
70917	Mono_Isotopic_Weight	182.130679813
2723785	Covalent_Unit_Count	1
18177	Defined_Bond_Stereo_Count	0
23964	Undefined_Bond_Stereo_Count	0
85856	XLogP3-AA	9.6
6918126	Undefined_Atom_Stereo_Count	0
75412563	Defined_Bond_Stereo_Count	0
12618861	XLogP3-AA	0.3
800	Defined_Bond_Stereo_Count	0
84788	Isotope_Atom_Count	0
44358318	XLogP3-AA	4.4
139079642	Hydrogen_Bond_Acceptor_Count	1
11466	Defined_Bond_Stereo_Count	0
71307528	XLogP3-AA	4.2
15991574	Hydrogen_Bond_Acceptor_Count	5
14675	Structure_Complexity	363
10558601	Hydrogen_Bond_Donor_Count	2
557908	XLogP3-AA	0
20095	Hydrogen_Bond_Acceptor_Count	3
10930781	Structure_Complexity	1580
8142	Hydrogen_Bond_Acceptor_Count	0
24526	Non-hydrogen_Atom_Count	2
3457331	Defined_Atom_Stereo_Count	0
86656004	Undefined_Bond_Stereo_Count	0
31202	Exact_Mass	395.3318782
91156	Exact_Mass	328.240230259
197490	Defined_Bond_Stereo_Count	0
11403482	Exact_Mass	287.0349209
79081	Total_Formal_Charge	0
8121	Undefined_Bond_Stereo_Count	0
6321405	Defined_Bond_Stereo_Count	0
571736	TPSA	52.5
25147683	Tautomer_Count	1
14459015	Undefined_Atom_Stereo_Count	0
10214	Undefined_Bond_Stereo_Count	0
5283324	Mono_Isotopic_Weight	126.104465066
156460742	Mono_Isotopic_Weight	117.078978594
133561657	Total_Formal_Charge	0
21020205	Mono_Isotopic_Weight	99.9715923
11974	Rotatable_Bond_Count	8
3465817	Tautomer_Count	1
5057599	TPSA	230
3009817	Isotope_Atom_Count	0
12434511	XLogP3-AA	0.1
2329	Mono_Isotopic_Weight	404.13722174
9180	Hydrogen_Bond_Donor_Count	0
5344	Defined_Atom_Stereo_Count	0
9554198	Tautomer_Count	2
14453685	Undefined_Atom_Stereo_Count	2
1335	Hydrogen_Bond_Donor_Count	4
15657909	Total_Formal_Charge	0
20666035	Undefined_Bond_Stereo_Count	0
523547	Undefined_Atom_Stereo_Count	1
667490	Defined_Atom_Stereo_Count	0
11317	Undefined_Atom_Stereo_Count	0
5282414	Covalent_Unit_Count	2
13748	Defined_Atom_Stereo_Count	0
6604757	Undefined_Atom_Stereo_Count	0
21121497	Defined_Bond_Stereo_Count	0
54535780	Exact_Mass	95.073499291
2733525	Structure_Complexity	690
21660	Structure_Complexity	346
2061	Tautomer_Count	16
102848	Exact_Mass	99.068413911
58516110	Structure_Complexity	685
701	Total_Formal_Charge	0
15992306	Molecular_Weight	388.3
49864533	Rotatable_Bond_Count	6
9798496	Defined_Bond_Stereo_Count	1
123415454	Structure_Complexity	86.2
156212	Undefined_Bond_Stereo_Count	0
12872197	Mono_Isotopic_Weight	100.052429494
13842461	Isotope_Atom_Count	0
18329011	Undefined_Bond_Stereo_Count	0
102506015	Undefined_Bond_Stereo_Count	0
1341	Rotatable_Bond_Count	3
5899	Mono_Isotopic_Weight	180.01466183
647120	Defined_Atom_Stereo_Count	0
25271818	Structure_Complexity	482
24182914	Hydrogen_Bond_Donor_Count	0
15664	Structure_Complexity	161
449366	Molecular_Weight	501.6
23277870	Rotatable_Bond_Count	3
101576	Hydrogen_Bond_Acceptor_Count	1
135554980	Hydrogen_Bond_Acceptor_Count	4
19604021	Undefined_Bond_Stereo_Count	0
64762	Defined_Atom_Stereo_Count	0
68490094	Total_Formal_Charge	0
74809	Total_Formal_Charge	0
18407	Isotope_Atom_Count	0
71452498	Total_Formal_Charge	0
82418995	Hydrogen_Bond_Donor_Count	1
446155	Non-hydrogen_Atom_Count	30
17807203	Rotatable_Bond_Count	2
21703153	Undefined_Bond_Stereo_Count	0
84762050	Defined_Bond_Stereo_Count	0
58594768	Molecular_Weight	180.16
451415	Covalent_Unit_Count	1
6420013	Mono_Isotopic_Weight	343.1550360
3795601	TPSA	35.9
123205882	Defined_Bond_Stereo_Count	0
1519	Structure_Complexity	853
9914506	Non-hydrogen_Atom_Count	35
740525	Molecular_Weight	285.4
24825265	XLogP3-AA	4.5
54422686	Molecular_Weight	103.12
11281445	Rotatable_Bond_Count	7
53990905	Mono_Isotopic_Weight	111.043261792
60303	Non-hydrogen_Atom_Count	25
154518370	Rotatable_Bond_Count	1
2384	Undefined_Atom_Stereo_Count	0
233979	Covalent_Unit_Count	1
24671	Defined_Bond_Stereo_Count	0
370	Covalent_Unit_Count	1
91805671	TPSA	9.2
11969465	Molecular_Weight	400.5
10240772	Non-hydrogen_Atom_Count	7
10168	Defined_Bond_Stereo_Count	0
21956312	Isotope_Atom_Count	0
118689593	Structure_Complexity	1220
3793	Non-hydrogen_Atom_Count	49
95455	Total_Formal_Charge	0
90181814	Hydrogen_Bond_Acceptor_Count	2
439196	Rotatable_Bond_Count	3
72495	Structure_Complexity	976
101921	Defined_Bond_Stereo_Count	0
148089453	TPSA	26.3
11007841	Defined_Atom_Stereo_Count	0
147277331	Defined_Bond_Stereo_Count	0
59999517	Isotope_Atom_Count	0
101176453	Rotatable_Bond_Count	15
4206	Exact_Mass	368.25627424
69444	TPSA	7.1
82703	Rotatable_Bond_Count	1
14107712	Covalent_Unit_Count	1
154514950	Defined_Atom_Stereo_Count	0
9902908	TPSA	139
13245709	Covalent_Unit_Count	1
11412863	Rotatable_Bond_Count	1
71433133	Rotatable_Bond_Count	0
83547	Molecular_Weight	96.91
679386	XLogP3-AA	1.8
6479523	TPSA	173
90420227	Hydrogen_Bond_Donor_Count	1
90427261	Non-hydrogen_Atom_Count	8
17407	Undefined_Bond_Stereo_Count	0
66545743	Hydrogen_Bond_Donor_Count	1
70677	Mono_Isotopic_Weight	444.00685688
4090	Rotatable_Bond_Count	5
21637412	Undefined_Atom_Stereo_Count	0
676328	Rotatable_Bond_Count	6
5364420	Molecular_Weight	326.5
12580406	Total_Formal_Charge	0
48670	XLogP3-AA	0.5
71485	Undefined_Bond_Stereo_Count	0
69871	Mono_Isotopic_Weight	177.00376279
101254310	Exact_Mass	182.07161235
71160	Defined_Bond_Stereo_Count	0
72930	Hydrogen_Bond_Acceptor_Count	4
26470411	Total_Formal_Charge	0
596336	Defined_Atom_Stereo_Count	0
8263	Isotope_Atom_Count	0
25072736	Non-hydrogen_Atom_Count	30
2734040	Mono_Isotopic_Weight	373.895139
274234	Undefined_Bond_Stereo_Count	0
359	Total_Formal_Charge	0
35676	Molecular_Weight	214.19
158432	Structure_Complexity	568
8333	Covalent_Unit_Count	1
63950	Covalent_Unit_Count	1
75579	Isotope_Atom_Count	0
445785	Undefined_Bond_Stereo_Count	0
55290897	Exact_Mass	93.021463719
31645	XLogP3	1.7
21027022	Non-hydrogen_Atom_Count	7
14710	Total_Formal_Charge	0
2173	Structure_Complexity	556
4554	TPSA	0
22168978	Molecular_Weight	103.08
12801	Structure_Complexity	222
9843744	Hydrogen_Bond_Acceptor_Count	5
5826113	Undefined_Atom_Stereo_Count	0
3009	Defined_Bond_Stereo_Count	0
640997	Structure_Complexity	37.9
13483371	Isotope_Atom_Count	0
70689447	Exact_Mass	472.12224
12746	Rotatable_Bond_Count	0
24066917	Structure_Complexity	198
565424	TPSA	37.3
51997	TPSA	62.6
16095274	Hydrogen_Bond_Acceptor_Count	3
16074056	Hydrogen_Bond_Donor_Count	2
61900360	Rotatable_Bond_Count	1
60196343	Non-hydrogen_Atom_Count	46
11637983	Rotatable_Bond_Count	3
509864	Structure_Complexity	554
5284648	XLogP3-AA	2.1
135476770	Structure_Complexity	437
16404350	Defined_Atom_Stereo_Count	3
57507	Rotatable_Bond_Count	3
141350568	Total_Formal_Charge	0
13651872	Hydrogen_Bond_Acceptor_Count	2
14280898	Hydrogen_Bond_Acceptor_Count	2
13584550	Rotatable_Bond_Count	0
170359	TPSA	54
46936871	Defined_Atom_Stereo_Count	5
65127	Rotatable_Bond_Count	3
163900	Defined_Atom_Stereo_Count	0
3413420	Covalent_Unit_Count	1
8425	Undefined_Bond_Stereo_Count	0
71955	Structure_Complexity	278
158334	Molecular_Weight	843.1
20528	Structure_Complexity	395
119047	Undefined_Atom_Stereo_Count	0
31432	Undefined_Atom_Stereo_Count	0
102293	Defined_Atom_Stereo_Count	0
11051571	TPSA	20.2
95292	Isotope_Atom_Count	0
6806	Isotope_Atom_Count	0
32230	Hydrogen_Bond_Acceptor_Count	5
65630	Molecular_Weight	231.29
19935251	Exact_Mass	97.063997236
344793	Molecular_Weight	272.34
54367722	Defined_Atom_Stereo_Count	0
585999	TPSA	80.4
135408964	Mono_Isotopic_Weight	452.2230560
122640	Covalent_Unit_Count	1
53924211	TPSA	58.5
10207842	Undefined_Atom_Stereo_Count	0
55067	Molecular_Weight	262.8
35841	Hydrogen_Bond_Acceptor_Count	1
632835	Structure_Complexity	630
5318599	Tautomer_Count	1
46203882	Defined_Atom_Stereo_Count	0
62884	Rotatable_Bond_Count	4
44758	Hydrogen_Bond_Donor_Count	2
20056440	Structure_Complexity	702
185498	Structure_Complexity	0
14181658	Mono_Isotopic_Weight	487.22782765
4961823	Hydrogen_Bond_Donor_Count	1
11387605	Rotatable_Bond_Count	8
53708	Hydrogen_Bond_Acceptor_Count	3
94313	Hydrogen_Bond_Acceptor_Count	2
71151	Undefined_Atom_Stereo_Count	2
44093	Structure_Complexity	244
4921	Tautomer_Count	2
162918	Rotatable_Bond_Count	2
24987	TPSA	38.8
2248	Undefined_Atom_Stereo_Count	10
86646597	Undefined_Bond_Stereo_Count	0
86296	Mono_Isotopic_Weight	223.110947427
27423	Undefined_Atom_Stereo_Count	0
14949211	Rotatable_Bond_Count	0
122623	Isotope_Atom_Count	0
135300	Hydrogen_Bond_Donor_Count	0
135509116	Isotope_Atom_Count	0
4449	Defined_Atom_Stereo_Count	0
2724032	Hydrogen_Bond_Donor_Count	1
10257882	Structure_Complexity	1060
96029	TPSA	71.6
146571	Isotope_Atom_Count	0
140738	Hydrogen_Bond_Donor_Count	0
2724372	Exact_Mass	294.173213330
10201696	Mono_Isotopic_Weight	411.26342531
9958995	XLogP3-AA	6.5
33938	Undefined_Atom_Stereo_Count	0
244030	Structure_Complexity	159
57497484	Exact_Mass	324.183778013
911	Exact_Mass	177.04596439
6604796	Hydrogen_Bond_Acceptor_Count	4
139246476	Mono_Isotopic_Weight	186.013186
77072	XLogP3-AA	11.8
71341	Mono_Isotopic_Weight	349.01123610
39971	Covalent_Unit_Count	1
10545	Non-hydrogen_Atom_Count	12
74106	XLogP3-AA	4.5
15559658	Hydrogen_Bond_Acceptor_Count	1
6713368	Hydrogen_Bond_Acceptor_Count	1
20084	Total_Formal_Charge	0
12167465	Mono_Isotopic_Weight	182.98693043
706485	Rotatable_Bond_Count	3
66624059	Covalent_Unit_Count	1
31736	Defined_Atom_Stereo_Count	0
91932	Defined_Atom_Stereo_Count	0
139367	Structure_Complexity	96
5922	Isotope_Atom_Count	0
24321	Non-hydrogen_Atom_Count	22
27588	Structure_Complexity	189
16052007	TPSA	137
56438	Hydrogen_Bond_Acceptor_Count	4
10621	Covalent_Unit_Count	1
57402175	Hydrogen_Bond_Acceptor_Count	11
15206928	Isotope_Atom_Count	0
129009989	Defined_Atom_Stereo_Count	9
68512	Hydrogen_Bond_Donor_Count	2
13081	Exact_Mass	341.9738580
143888994	Undefined_Atom_Stereo_Count	0
21595393	Exact_Mass	337.227988553
502	Total_Formal_Charge	0
12102	Covalent_Unit_Count	1
19032309	Undefined_Atom_Stereo_Count	1
6426685	Total_Formal_Charge	0
18636	Tautomer_Count	1
60196269	TPSA	182
5104	Rotatable_Bond_Count	1
13964915	Structure_Complexity	745
9983746	Exact_Mass	254.094294304
101584	Non-hydrogen_Atom_Count	30
132274085	Exact_Mass	834.54530517
8125	Hydrogen_Bond_Acceptor_Count	0
56841653	Defined_Bond_Stereo_Count	0
7411	Covalent_Unit_Count	1
2734227	Total_Formal_Charge	0
89456730	Hydrogen_Bond_Donor_Count	1
9865528	Hydrogen_Bond_Acceptor_Count	6
5754	Defined_Bond_Stereo_Count	0
523523	Defined_Atom_Stereo_Count	0
10340798	Isotope_Atom_Count	0
156599244	XLogP3-AA	5.1
7959	Covalent_Unit_Count	1
139099	Exact_Mass	100.088815002
146159565	Exact_Mass	515.25191714
969105	Exact_Mass	310.168127949
15787	Non-hydrogen_Atom_Count	18
46244454	Hydrogen_Bond_Donor_Count	1
7048611	Undefined_Atom_Stereo_Count	0
58550597	Isotope_Atom_Count	0
24864821	Mono_Isotopic_Weight	383.13822480
4042	TPSA	60.4
60148432	Defined_Atom_Stereo_Count	0
10162742	Exact_Mass	478.30562448
16665100	Mono_Isotopic_Weight	461.23145648
134823960	Non-hydrogen_Atom_Count	19
6185	Defined_Bond_Stereo_Count	0
2723816	Defined_Atom_Stereo_Count	0
54399	Non-hydrogen_Atom_Count	31
65013	Defined_Atom_Stereo_Count	0
65055	Defined_Bond_Stereo_Count	0
146468	Non-hydrogen_Atom_Count	14
27461	Rotatable_Bond_Count	7
7499	Total_Formal_Charge	0
21205308	Undefined_Bond_Stereo_Count	0
90488948	XLogP3-AA	1.9
25849	Rotatable_Bond_Count	5
6538991	Defined_Atom_Stereo_Count	0
91608418	Non-hydrogen_Atom_Count	8
107771	TPSA	73.8
11513929	TPSA	46.2
25244372	Undefined_Bond_Stereo_Count	0
146158568	Molecular_Weight	527.5
10901	Hydrogen_Bond_Donor_Count	1
22058225	Undefined_Atom_Stereo_Count	2
6450531	Hydrogen_Bond_Donor_Count	3
18923030	Isotope_Atom_Count	0
5460337	Defined_Bond_Stereo_Count	0
4989215	Defined_Atom_Stereo_Count	0
246724	Isotope_Atom_Count	0
18762609	TPSA	38.7
176505	Undefined_Atom_Stereo_Count	2
65055	Defined_Atom_Stereo_Count	0
62341	Defined_Atom_Stereo_Count	0
20652538	Structure_Complexity	97.5
9230	Exact_Mass	117.057849228
449381	Tautomer_Count	2
91667825	Defined_Bond_Stereo_Count	0
24254	Exact_Mass	208.125200510
68517380	Undefined_Atom_Stereo_Count	0
134008	Undefined_Atom_Stereo_Count	0
47289	Undefined_Bond_Stereo_Count	0
135589409	Structure_Complexity	277
39327	Covalent_Unit_Count	1
72200721	Undefined_Atom_Stereo_Count	0
2734232	Defined_Bond_Stereo_Count	0
5282349	Non-hydrogen_Atom_Count	30
1696	Molecular_Weight	202.19
28048	Hydrogen_Bond_Donor_Count	0
579675	Tautomer_Count	10
13930075	Exact_Mass	113.084063974
451068	Total_Formal_Charge	0
23672566	Covalent_Unit_Count	2
53738699	Non-hydrogen_Atom_Count	8
36978	Non-hydrogen_Atom_Count	21
15998	Hydrogen_Bond_Acceptor_Count	3
8034	Tautomer_Count	3
80428	Isotope_Atom_Count	0
21958071	Hydrogen_Bond_Donor_Count	3
82730	Isotope_Atom_Count	0
53321036	Covalent_Unit_Count	1
5319	Exact_Mass	276.05686342
43558819	Mono_Isotopic_Weight	113.047678466
27816	Isotope_Atom_Count	0
779642	Defined_Atom_Stereo_Count	0
7684	Undefined_Atom_Stereo_Count	0
44342925	Defined_Atom_Stereo_Count	2
72728690	Exact_Mass	97.052763847
53316417	Structure_Complexity	446
21943991	XLogP3-AA	2.2
25724	Hydrogen_Bond_Acceptor_Count	3
28094582	Structure_Complexity	222
6437840	Tautomer_Count	2
57318251	Defined_Atom_Stereo_Count	0
67406	Defined_Bond_Stereo_Count	0
9957535	TPSA	79.9
8936	Mono_Isotopic_Weight	810.42037944
168963	Molecular_Weight	375.75
3281	Defined_Bond_Stereo_Count	0
36084	Structure_Complexity	296
79244	Total_Formal_Charge	0
65876	Defined_Atom_Stereo_Count	0
2771871	Molecular_Weight	168.96
9844833	Molecular_Weight	416.6
9865515	Defined_Atom_Stereo_Count	0
8317	Exact_Mass	456.115029749
21531	Rotatable_Bond_Count	6
24875372	Undefined_Atom_Stereo_Count	0
190816	Hydrogen_Bond_Donor_Count	1
104865	Structure_Complexity	839
23080868	Undefined_Bond_Stereo_Count	0
26235	XLogP3-AA	4.6
14171936	Rotatable_Bond_Count	2
13342	Hydrogen_Bond_Acceptor_Count	12
21637995	Undefined_Bond_Stereo_Count	0
6427080	XLogP3-AA	2.6
54066	Molecular_Weight	250.34
8366	Undefined_Atom_Stereo_Count	1
7216	Total_Formal_Charge	0
66028	Defined_Bond_Stereo_Count	0
61181	Structure_Complexity	25.5
12452075	Mono_Isotopic_Weight	94.041864811
129638548	Rotatable_Bond_Count	0
54561872	Defined_Atom_Stereo_Count	0
10047141	Rotatable_Bond_Count	5
3741	TPSA	200
24884313	Structure_Complexity	495
51387014	Isotope_Atom_Count	0
71586775	Molecular_Weight	360.31
3532561	Non-hydrogen_Atom_Count	6
535545	Molecular_Weight	85.15
11269429	Isotope_Atom_Count	0
61900360	Exact_Mass	113.058911855
11389359	Rotatable_Bond_Count	1
130224237	Undefined_Bond_Stereo_Count	0
93171	Rotatable_Bond_Count	1
43704	Covalent_Unit_Count	1
14205677	Undefined_Atom_Stereo_Count	0
68343260	Undefined_Bond_Stereo_Count	0
114840	Rotatable_Bond_Count	2
13233	Rotatable_Bond_Count	0
21908889	Defined_Atom_Stereo_Count	0
25011729	Isotope_Atom_Count	0
46783224	Structure_Complexity	969
2551	Structure_Complexity	117
122077	Non-hydrogen_Atom_Count	28
10131842	Rotatable_Bond_Count	8
30487	Defined_Bond_Stereo_Count	0
4259	Mono_Isotopic_Weight	401.17508442
11859	Hydrogen_Bond_Acceptor_Count	1
135612794	Defined_Atom_Stereo_Count	0
20590622	Isotope_Atom_Count	0
694647	Exact_Mass	246.06269769
12488	Isotope_Atom_Count	0
69317	XLogP3-AA	4.6
50128	Molecular_Weight	329.9
94320	Defined_Bond_Stereo_Count	0
10401	Hydrogen_Bond_Acceptor_Count	2
69294796	Isotope_Atom_Count	0
46856376	Non-hydrogen_Atom_Count	8
46206296	Undefined_Bond_Stereo_Count	0
118705467	Mono_Isotopic_Weight	645.31491132
77342	Rotatable_Bond_Count	0
136499	Rotatable_Bond_Count	0
65872	Tautomer_Count	2
21698764	Non-hydrogen_Atom_Count	8
12842	Rotatable_Bond_Count	2
9804496	Total_Formal_Charge	0
129858712	Hydrogen_Bond_Acceptor_Count	6
16772299	Hydrogen_Bond_Acceptor_Count	1
2034	Rotatable_Bond_Count	2
24203	Undefined_Bond_Stereo_Count	0
25104740	Defined_Bond_Stereo_Count	0
22380788	Exact_Mass	111.032028402
100933147	Defined_Bond_Stereo_Count	0
40463608	Rotatable_Bond_Count	0
121861	Undefined_Atom_Stereo_Count	0
155294764	Covalent_Unit_Count	1
123678021	Exact_Mass	108.093900383
67465	Hydrogen_Bond_Donor_Count	1
471895	Total_Formal_Charge	0
536111	Hydrogen_Bond_Donor_Count	0
1179	Structure_Complexity	1630
21058	Structure_Complexity	273
89225	Undefined_Atom_Stereo_Count	1
10168	Total_Formal_Charge	0
22034820	Hydrogen_Bond_Acceptor_Count	2
73219	Exact_Mass	234.161979940
2795887	Undefined_Bond_Stereo_Count	0
84912	Hydrogen_Bond_Acceptor_Count	3
47517	Exact_Mass	267.1026065
5904	Rotatable_Bond_Count	4
129307545	Total_Formal_Charge	0
655797	Defined_Bond_Stereo_Count	0
90470403	Exact_Mass	192.0454260
121326433	Hydrogen_Bond_Donor_Count	0
1505	Defined_Atom_Stereo_Count	0
172309	XLogP3-AA	3
2576	Hydrogen_Bond_Acceptor_Count	4
198016	Undefined_Atom_Stereo_Count	3
53477781	Molecular_Weight	368.5
2826731	Defined_Atom_Stereo_Count	0
91465	XLogP3-AA	9.4
219301	Undefined_Atom_Stereo_Count	0
164668700	Exact_Mass	110.036779430
140765	Defined_Atom_Stereo_Count	0
61080	Hydrogen_Bond_Donor_Count	5
36034	Isotope_Atom_Count	0
72545257	Molecular_Weight	468.2
53796229	Hydrogen_Bond_Acceptor_Count	2
23441	TPSA	74.6
7295	Mono_Isotopic_Weight	107.9978071
9129	Tautomer_Count	1
5288811	Undefined_Bond_Stereo_Count	0
26462	Isotope_Atom_Count	0
69685	Defined_Bond_Stereo_Count	0
11263492	Isotope_Atom_Count	0
6398764	Undefined_Atom_Stereo_Count	0
54311720	Isotope_Atom_Count	0
4306436	Non-hydrogen_Atom_Count	22
21058180	Undefined_Bond_Stereo_Count	0
6540	Undefined_Bond_Stereo_Count	0
3085416	Molecular_Weight	875.1
64819	Defined_Bond_Stereo_Count	0
3651	Rotatable_Bond_Count	2
7233	Covalent_Unit_Count	1
12514206	Mono_Isotopic_Weight	106.053098200
91089723	Non-hydrogen_Atom_Count	7
75349	Isotope_Atom_Count	0
146256	Undefined_Atom_Stereo_Count	1
73513	TPSA	95.9
3085023	Total_Formal_Charge	0
11374	Covalent_Unit_Count	1
9047	Non-hydrogen_Atom_Count	19
9810771	Defined_Atom_Stereo_Count	1
208925	Defined_Bond_Stereo_Count	0
37	Tautomer_Count	2
82116	Isotope_Atom_Count	0
25116186	Non-hydrogen_Atom_Count	29
219105	Structure_Complexity	116
12233709	Hydrogen_Bond_Donor_Count	0
52943269	Defined_Atom_Stereo_Count	1
170832	Mono_Isotopic_Weight	259.157228913
67899	Undefined_Atom_Stereo_Count	0
129679806	Rotatable_Bond_Count	3
76469	Structure_Complexity	250
40030	Undefined_Atom_Stereo_Count	0
28896	Defined_Atom_Stereo_Count	0
968472	Undefined_Atom_Stereo_Count	0
12817963	Hydrogen_Bond_Donor_Count	1
57391554	Defined_Bond_Stereo_Count	0
9890250	Mono_Isotopic_Weight	455.1623268
54309225	Structure_Complexity	50
57992175	Defined_Atom_Stereo_Count	0
10701	Mono_Isotopic_Weight	113.022526347
6015	Undefined_Atom_Stereo_Count	1
442972	XLogP3-AA	3.5
83960	Defined_Bond_Stereo_Count	0
91495606	Mono_Isotopic_Weight	114.104465066
98047	Hydrogen_Bond_Donor_Count	1
8584	Isotope_Atom_Count	0
5360696	Defined_Bond_Stereo_Count	0
23190	Tautomer_Count	2
12082850	Undefined_Bond_Stereo_Count	0
59771	Undefined_Bond_Stereo_Count	0
136305445	Hydrogen_Bond_Donor_Count	1
12358890	Rotatable_Bond_Count	8
45791267	Rotatable_Bond_Count	2
8989	Mono_Isotopic_Weight	416.365430770
56834577	TPSA	102
16760394	Undefined_Bond_Stereo_Count	0
12950123	Total_Formal_Charge	0
25202592	Total_Formal_Charge	0
76619	Undefined_Bond_Stereo_Count	0
3033031	Defined_Atom_Stereo_Count	2
43515	Tautomer_Count	12
5826113	Isotope_Atom_Count	0
86965	Exact_Mass	165.078978594
10031812	Molecular_Weight	620.7
442460	Non-hydrogen_Atom_Count	14
89312617	Non-hydrogen_Atom_Count	7
72266	Hydrogen_Bond_Acceptor_Count	8
91558	Exact_Mass	360.1604557
150762	Undefined_Atom_Stereo_Count	1
24781	Hydrogen_Bond_Donor_Count	1
10464328	Total_Formal_Charge	0
200103	Defined_Atom_Stereo_Count	0
154152828	Covalent_Unit_Count	1
93922	Isotope_Atom_Count	0
58222505	XLogP3-AA	0.4
16760374	Exact_Mass	636.12921216
54419673	Hydrogen_Bond_Donor_Count	1
12284	Covalent_Unit_Count	1
524681	Rotatable_Bond_Count	2
56842070	Defined_Atom_Stereo_Count	0
119391	Total_Formal_Charge	0
11510	Hydrogen_Bond_Acceptor_Count	3
54382	Undefined_Bond_Stereo_Count	1
54848	Defined_Bond_Stereo_Count	0
71107	Mono_Isotopic_Weight	426.12494298
11233	Mono_Isotopic_Weight	114.140850574
93279	Defined_Bond_Stereo_Count	0
140203	Isotope_Atom_Count	0
14480677	Hydrogen_Bond_Donor_Count	2
656602	Non-hydrogen_Atom_Count	30
12576852	Rotatable_Bond_Count	1
35407	Hydrogen_Bond_Acceptor_Count	2
24829330	Hydrogen_Bond_Acceptor_Count	6
53632493	Mono_Isotopic_Weight	100.052429494
58206428	Isotope_Atom_Count	0
46839993	Non-hydrogen_Atom_Count	6
118796404	TPSA	241
18487	Hydrogen_Bond_Acceptor_Count	1
13462200	Defined_Bond_Stereo_Count	0
6337614	Defined_Atom_Stereo_Count	2
22280261	Structure_Complexity	70.5
92421	Molecular_Weight	252.26
7048	Undefined_Bond_Stereo_Count	0
54323318	Defined_Atom_Stereo_Count	0
446998	Molecular_Weight	291.33
24845095	Mono_Isotopic_Weight	337.1193192
2761399	Non-hydrogen_Atom_Count	8
11538502	Hydrogen_Bond_Donor_Count	2
12281	Hydrogen_Bond_Donor_Count	1
2816105	Mono_Isotopic_Weight	313.13611680
12644714	Non-hydrogen_Atom_Count	8
140945	XLogP3-AA	1.8
24153	Defined_Atom_Stereo_Count	0
2734680	Undefined_Bond_Stereo_Count	0
54059092	Rotatable_Bond_Count	0
85047	Tautomer_Count	1
118946	Undefined_Atom_Stereo_Count	0
1382043	Isotope_Atom_Count	0
77312	XLogP3-AA	0.9
53384398	Covalent_Unit_Count	1
49865494	Defined_Atom_Stereo_Count	0
97736	Tautomer_Count	3
6992111	Hydrogen_Bond_Donor_Count	1
3033928	Structure_Complexity	478
546877	Hydrogen_Bond_Acceptor_Count	2
121891	Hydrogen_Bond_Acceptor_Count	3
9883915	Hydrogen_Bond_Acceptor_Count	2
57750407	Exact_Mass	495.2513364
70693548	Isotope_Atom_Count	0
87282052	Molecular_Weight	103.08
8304	Mono_Isotopic_Weight	208.12283153
18616	Mono_Isotopic_Weight	186.905233
74413	Undefined_Atom_Stereo_Count	0
753050	XLogP3-AA	3.9
5102	Molecular_Weight	394.4
3351	Rotatable_Bond_Count	5
131750287	Isotope_Atom_Count	0
53914733	Rotatable_Bond_Count	0
87468080	Structure_Complexity	124
7248	Mono_Isotopic_Weight	121.089149355
107973	Mono_Isotopic_Weight	307.06095954
21956312	Hydrogen_Bond_Acceptor_Count	2
95400	Molecular_Weight	186.29
29778	TPSA	80.7
85515	Mono_Isotopic_Weight	108.043596145
5846454	Undefined_Atom_Stereo_Count	0
68678	Exact_Mass	287.0971445
91693	Rotatable_Bond_Count	5
1565	Structure_Complexity	308
70692775	Isotope_Atom_Count	0
9734	Structure_Complexity	108
20563296	Defined_Atom_Stereo_Count	0
87162	Hydrogen_Bond_Donor_Count	0
96312	Mono_Isotopic_Weight	297.10731860
12999933	Defined_Bond_Stereo_Count	0
87425008	Mono_Isotopic_Weight	348.96256697
887798	Total_Formal_Charge	0
70783	Covalent_Unit_Count	1
129148	Rotatable_Bond_Count	23
2733928	Exact_Mass	239.0924357
17185	Molecular_Weight	162.70
9819043	Undefined_Bond_Stereo_Count	0
3321360	Rotatable_Bond_Count	0
449487	Undefined_Bond_Stereo_Count	0
59503411	Defined_Atom_Stereo_Count	3
107706	Rotatable_Bond_Count	9
47387	Defined_Atom_Stereo_Count	0
9931	Hydrogen_Bond_Donor_Count	0
127	XLogP3	0.8
89317	Structure_Complexity	187
688015	Undefined_Bond_Stereo_Count	0
71449567	Mono_Isotopic_Weight	375.19804835
2675	Mono_Isotopic_Weight	453.04129018
2336	Total_Formal_Charge	0
1224	Hydrogen_Bond_Acceptor_Count	2
73306	Undefined_Atom_Stereo_Count	0
247771	Undefined_Atom_Stereo_Count	1
60096125	Exact_Mass	113.047678466
5111	Undefined_Bond_Stereo_Count	0
71455485	Defined_Bond_Stereo_Count	0
124224929	Total_Formal_Charge	0
633526	Isotope_Atom_Count	0
10176115	Defined_Bond_Stereo_Count	0
20680013	Hydrogen_Bond_Donor_Count	0
5783	Undefined_Bond_Stereo_Count	0
5308742	Rotatable_Bond_Count	3
95354	Defined_Bond_Stereo_Count	0
9840851	Hydrogen_Bond_Acceptor_Count	6
164	Defined_Bond_Stereo_Count	0
123924	Isotope_Atom_Count	0
54068368	Hydrogen_Bond_Donor_Count	1
11448496	Non-hydrogen_Atom_Count	11
52945780	Undefined_Bond_Stereo_Count	0
53630039	Molecular_Weight	90.08
1643	Covalent_Unit_Count	1
13017912	Mono_Isotopic_Weight	560.27338086
133562767	Rotatable_Bond_Count	18
33838	Mono_Isotopic_Weight	240.968878
3000	Rotatable_Bond_Count	2
22753628	Undefined_Atom_Stereo_Count	0
58436	Hydrogen_Bond_Donor_Count	1
21770	TPSA	17.8
535870	Undefined_Bond_Stereo_Count	0
445408	Hydrogen_Bond_Acceptor_Count	6
3032537	Rotatable_Bond_Count	3
250074	Mono_Isotopic_Weight	166.062994177
54011	Rotatable_Bond_Count	15
4271	TPSA	94.5
139670117	Total_Formal_Charge	0
15424	Exact_Mass	375.1965069
9844	Hydrogen_Bond_Acceptor_Count	4
83735	Covalent_Unit_Count	1
147873	Non-hydrogen_Atom_Count	18
50878566	Molecular_Weight	306.4
3034756	Mono_Isotopic_Weight	344.17360725
85294873	Defined_Bond_Stereo_Count	0
88077632	Structure_Complexity	185
126755973	Rotatable_Bond_Count	0
91722674	XLogP3-AA	4.2
40701	Hydrogen_Bond_Donor_Count	0
165457	Molecular_Weight	361.4
1013376	Hydrogen_Bond_Donor_Count	3
13615995	Mono_Isotopic_Weight	204.13615911
60150204	Defined_Bond_Stereo_Count	0
55250	Exact_Mass	376.14567842
9995236	Isotope_Atom_Count	0
175534	Mono_Isotopic_Weight	319.1702921
21584661	Defined_Bond_Stereo_Count	0
12214113	Rotatable_Bond_Count	1
141631	Hydrogen_Bond_Donor_Count	0
2775641	Exact_Mass	114.068079557
15291	Rotatable_Bond_Count	3
154091501	Defined_Bond_Stereo_Count	0
5224	TPSA	214
8076	Defined_Bond_Stereo_Count	0
10374	Defined_Atom_Stereo_Count	0
9812772	Non-hydrogen_Atom_Count	8
197839	Defined_Bond_Stereo_Count	0
14319	XLogP3	1.9
60201425	Isotope_Atom_Count	0
86218	Undefined_Atom_Stereo_Count	1
3598	Undefined_Atom_Stereo_Count	0
69333884	XLogP3-AA	0.4
3225	Covalent_Unit_Count	1
35343	TPSA	0
423792	Defined_Atom_Stereo_Count	0
861	Undefined_Atom_Stereo_Count	1
11372270	Molecular_Weight	375.3
60196306	Exact_Mass	670.39282728
56327	Mono_Isotopic_Weight	219.125928785
60209141	Isotope_Atom_Count	0
10357919	Structure_Complexity	390
11831	Total_Formal_Charge	0
68791	Tautomer_Count	5
984456	Defined_Atom_Stereo_Count	0
54296709	Hydrogen_Bond_Acceptor_Count	1
69424	Hydrogen_Bond_Acceptor_Count	1
54120990	Molecular_Weight	112.09
8911	Undefined_Atom_Stereo_Count	0
64718	TPSA	104
1519487	Structure_Complexity	32.5
159922	Molecular_Weight	112.06
10125445	Undefined_Bond_Stereo_Count	0
135738852	Total_Formal_Charge	0
4984721	Defined_Atom_Stereo_Count	0
11380	Molecular_Weight	257.76
73986	Total_Formal_Charge	0
443404	Rotatable_Bond_Count	0
38019	Exact_Mass	359.841466
69242	Isotope_Atom_Count	0
9641	Structure_Complexity	200
192627	Molecular_Weight	289.33
6119	Total_Formal_Charge	0
5354042	Defined_Bond_Stereo_Count	3
76224067	Isotope_Atom_Count	0
1412	Undefined_Atom_Stereo_Count	1
67507057	Exact_Mass	116.058577502
23277877	Total_Formal_Charge	0
441254	Structure_Complexity	141
20141332	Isotope_Atom_Count	0
91214254	Covalent_Unit_Count	1
75269	Mono_Isotopic_Weight	88.016043985
57750391	Undefined_Bond_Stereo_Count	0
6623	Exact_Mass	228.115029749
35075	Structure_Complexity	187
5464111	TPSA	139
9930049	Defined_Atom_Stereo_Count	3
3055168	Tautomer_Count	5
13978	Hydrogen_Bond_Donor_Count	0
132274074	Non-hydrogen_Atom_Count	115
5310967	Non-hydrogen_Atom_Count	12
852344	Tautomer_Count	7
2998624	Undefined_Atom_Stereo_Count	1
86154978	Mono_Isotopic_Weight	343.04002688
24875372	Isotope_Atom_Count	0
11251522	Hydrogen_Bond_Acceptor_Count	12
11934	XLogP3	5.1
82711397	Molecular_Weight	118.13
5284441	TPSA	12.5
87501539	Exact_Mass	107.037113783
10131269	Defined_Bond_Stereo_Count	0
88598101	Covalent_Unit_Count	1
462382	Structure_Complexity	644
139063576	Hydrogen_Bond_Acceptor_Count	4
410214	Isotope_Atom_Count	0
72253	Non-hydrogen_Atom_Count	20
153196846	Molecular_Weight	97.16
5026	TPSA	123
2570	Rotatable_Bond_Count	2
122404566	XLogP3-AA	5.4
47509	Mono_Isotopic_Weight	256.1090889
17480032	Mono_Isotopic_Weight	343.08380644
14484	Defined_Bond_Stereo_Count	0
164946793	Rotatable_Bond_Count	24
69807449	XLogP3-AA	0.1
33572	Covalent_Unit_Count	1
10557575	Rotatable_Bond_Count	16
8140	XLogP3	4.9
129009974	Defined_Atom_Stereo_Count	12
44338785	Structure_Complexity	897
10238746	Isotope_Atom_Count	0
123645524	Mono_Isotopic_Weight	1201.84136802
234818	Exact_Mass	309.172878976
45488108	Undefined_Atom_Stereo_Count	0
14081	Molecular_Weight	110.16
169371	Defined_Atom_Stereo_Count	1
9884833	Tautomer_Count	2
2775641	Undefined_Atom_Stereo_Count	3
88771736	Rotatable_Bond_Count	1
138358	TPSA	0
17996772	Covalent_Unit_Count	1
154404053	Defined_Atom_Stereo_Count	0
8878	Undefined_Bond_Stereo_Count	0
56679001	Hydrogen_Bond_Donor_Count	2
124075	Tautomer_Count	1
224241	Defined_Atom_Stereo_Count	0
26248	Isotope_Atom_Count	0
11083834	Undefined_Bond_Stereo_Count	0
58777015	Hydrogen_Bond_Donor_Count	4
6604492	Rotatable_Bond_Count	7
59401	Undefined_Atom_Stereo_Count	0
32597	Structure_Complexity	290
52165	Structure_Complexity	523
11862	Hydrogen_Bond_Donor_Count	1
22986609	Defined_Atom_Stereo_Count	0
47750	Rotatable_Bond_Count	3
131714458	Hydrogen_Bond_Acceptor_Count	10
825744	Mono_Isotopic_Weight	338.153146591
182137	Defined_Bond_Stereo_Count	0
21972427	TPSA	60.1
174782	Structure_Complexity	841
5702690	Covalent_Unit_Count	3
146558401	Rotatable_Bond_Count	2
13059495	Tautomer_Count	2
163321054	Rotatable_Bond_Count	24
2328	Mono_Isotopic_Weight	240.05686342
61259	Hydrogen_Bond_Acceptor_Count	1
118104	Non-hydrogen_Atom_Count	8
101307877	Undefined_Bond_Stereo_Count	0
6422232	Undefined_Atom_Stereo_Count	0
11574	Hydrogen_Bond_Acceptor_Count	0
136005230	TPSA	54.7
12836140	Molecular_Weight	111.18
62530	Structure_Complexity	200
338812	Exact_Mass	112.052429494
82987	Undefined_Atom_Stereo_Count	0
13132266	Total_Formal_Charge	0
20392430	Structure_Complexity	82.6
590581	Hydrogen_Bond_Donor_Count	0
123415454	Covalent_Unit_Count	1
360129	TPSA	139
543565	Rotatable_Bond_Count	3
21894	Mono_Isotopic_Weight	136.027277375
76658	Exact_Mass	182.05790880
62371	Mono_Isotopic_Weight	266.0429505
76619	Hydrogen_Bond_Acceptor_Count	2
201	Exact_Mass	654.38142824
78357784	Undefined_Atom_Stereo_Count	0
12019	Rotatable_Bond_Count	2
47866	Molecular_Weight	166.18
125449602	Exact_Mass	114.068079557
848667	Defined_Atom_Stereo_Count	0
2201	Rotatable_Bond_Count	1
36209	Exact_Mass	200.237824961
85821087	Hydrogen_Bond_Acceptor_Count	0
49798415	Covalent_Unit_Count	1
13568406	Undefined_Atom_Stereo_Count	0
8699	Tautomer_Count	10
6436138	Defined_Atom_Stereo_Count	0
53642689	Total_Formal_Charge	0
61908225	Defined_Atom_Stereo_Count	0
14079973	Undefined_Atom_Stereo_Count	1
91414	Covalent_Unit_Count	1
12431621	Structure_Complexity	55
123917	Defined_Bond_Stereo_Count	0
12367600	Isotope_Atom_Count	0
123328983	Undefined_Bond_Stereo_Count	0
9469	Isotope_Atom_Count	0
449369	Hydrogen_Bond_Donor_Count	2
7543	Defined_Atom_Stereo_Count	0
9852981	XLogP3-AA	2.3
23436	Isotope_Atom_Count	0
12701621	TPSA	58.6
139637653	Non-hydrogen_Atom_Count	7
580566	Covalent_Unit_Count	1
3723	Mono_Isotopic_Weight	627.7853
11517146	XLogP3-AA	4.3
162649852	Covalent_Unit_Count	1
118946372	Structure_Complexity	1000
11670	Mono_Isotopic_Weight	102.104465066
5362376	Mono_Isotopic_Weight	444.1485709
5756	Total_Formal_Charge	0
59392388	Undefined_Atom_Stereo_Count	0
24883432	Mono_Isotopic_Weight	446.129461
82111162	Mono_Isotopic_Weight	115.099714038
3288597	Non-hydrogen_Atom_Count	26
123271	Rotatable_Bond_Count	0
53326688	Molecular_Weight	463.0
11476710	Mono_Isotopic_Weight	460.1180685
688378	Hydrogen_Bond_Donor_Count	3
303	Molecular_Weight	408.6
7152	Molecular_Weight	177.16
44454958	Defined_Atom_Stereo_Count	1
10967532	Defined_Atom_Stereo_Count	0
448503	Hydrogen_Bond_Acceptor_Count	1
73759663	Hydrogen_Bond_Donor_Count	2
15083770	Isotope_Atom_Count	0
146159220	Hydrogen_Bond_Acceptor_Count	20
123661139	Isotope_Atom_Count	0
1652	Molecular_Weight	242.23
12504793	Exact_Mass	100.088815002
21118312	Defined_Atom_Stereo_Count	7
19787449	Total_Formal_Charge	0
11768539	Non-hydrogen_Atom_Count	8
5282468	Non-hydrogen_Atom_Count	41
20361855	Exact_Mass	102.079312947
53701126	Molecular_Weight	109.17
21922278	Non-hydrogen_Atom_Count	7
44119608	Hydrogen_Bond_Donor_Count	1
9704	Defined_Atom_Stereo_Count	0
16004	Exact_Mass	230.899010
49862577	Molecular_Weight	426.5
12350	XLogP3-AA	3
518234	Isotope_Atom_Count	0
21083976	Exact_Mass	120.043596145
71300746	Defined_Bond_Stereo_Count	0
838844	Exact_Mass	237.97418
64505	XLogP3-AA	1.8
4507	Hydrogen_Bond_Donor_Count	1
22386229	Structure_Complexity	53.7
9657	Undefined_Atom_Stereo_Count	1
105039	Hydrogen_Bond_Acceptor_Count	3
14081	Defined_Atom_Stereo_Count	0
11317	Undefined_Bond_Stereo_Count	0
12855889	Structure_Complexity	1950
12508	Covalent_Unit_Count	1
88300	Molecular_Weight	296.4
16038399	Hydrogen_Bond_Acceptor_Count	5
70414	Rotatable_Bond_Count	7
154262592	Rotatable_Bond_Count	1
9888347	Rotatable_Bond_Count	6
65573725	Exact_Mass	98.036779430
310360	Mono_Isotopic_Weight	309.05834059
6196	XLogP3	2.4
119033	Defined_Bond_Stereo_Count	0
19662	Isotope_Atom_Count	0
57399428	Molecular_Weight	480.6
11370864	Tautomer_Count	1
94220	Hydrogen_Bond_Acceptor_Count	2
16315	Defined_Bond_Stereo_Count	0
1323703	TPSA	98.2
72899	Total_Formal_Charge	0
44452662	XLogP3-AA	2.9
66491	Undefined_Bond_Stereo_Count	0
3351	Mono_Isotopic_Weight	388.1189848
96160	Structure_Complexity	47.9
12370	Exact_Mass	110.109550447
11215	Hydrogen_Bond_Donor_Count	0
31202	Covalent_Unit_Count	2
5702044	Undefined_Atom_Stereo_Count	6
69341007	Hydrogen_Bond_Acceptor_Count	2
10040	Rotatable_Bond_Count	0
80786	Isotope_Atom_Count	0
54597740	Undefined_Bond_Stereo_Count	0
6024	TPSA	167
52942704	Rotatable_Bond_Count	5
105426980	Covalent_Unit_Count	1
1175	Rotatable_Bond_Count	0
657731	Exact_Mass	292.02113
20693488	Defined_Atom_Stereo_Count	0
1012	Hydrogen_Bond_Donor_Count	10
72104	Rotatable_Bond_Count	1
698	Hydrogen_Bond_Donor_Count	1
20784398	XLogP3-AA	1.8
41684	XLogP3-AA	2
12285889	TPSA	110
14829	Defined_Bond_Stereo_Count	0
125042028	Hydrogen_Bond_Acceptor_Count	1
18955656	Defined_Bond_Stereo_Count	0
135391180	Total_Formal_Charge	0
56859	Mono_Isotopic_Weight	320.20999276
53436345	Molecular_Weight	98.10
18755109	Isotope_Atom_Count	0
12398272	Non-hydrogen_Atom_Count	8
53981464	Undefined_Bond_Stereo_Count	0
245	Rotatable_Bond_Count	5
42552713	Defined_Atom_Stereo_Count	10
3000715	Rotatable_Bond_Count	4
320	Isotope_Atom_Count	0
54466147	Defined_Atom_Stereo_Count	0
669019	Total_Formal_Charge	0
57553	Mono_Isotopic_Weight	258.0326684
6604816	Mono_Isotopic_Weight	1201.84136802
75243795	XLogP3-AA	3.1
57112474	Molecular_Weight	114.19
6323236	Defined_Bond_Stereo_Count	3
4167	Covalent_Unit_Count	1
3047822	XLogP3-AA	0.5
21932619	Molecular_Weight	277.25
9158	Isotope_Atom_Count	0
20561708	Non-hydrogen_Atom_Count	7
104522	Undefined_Atom_Stereo_Count	0
20387228	Non-hydrogen_Atom_Count	8
784510	Covalent_Unit_Count	1
25008767	Hydrogen_Bond_Donor_Count	3
55287682	Undefined_Bond_Stereo_Count	0
750205	Undefined_Atom_Stereo_Count	0
253186	Hydrogen_Bond_Donor_Count	1
13519	Covalent_Unit_Count	1
2734054	Undefined_Atom_Stereo_Count	0
42104317	Undefined_Atom_Stereo_Count	0
14555267	Hydrogen_Bond_Donor_Count	1
6603901	Mono_Isotopic_Weight	402.16785316
6435207	Isotope_Atom_Count	0
24748573	Non-hydrogen_Atom_Count	25
11625778	Exact_Mass	413.19507097
85328	Covalent_Unit_Count	1
10285780	Defined_Atom_Stereo_Count	0
172997	Defined_Bond_Stereo_Count	0
15402	Defined_Bond_Stereo_Count	0
65028	Rotatable_Bond_Count	8
5363181	Molecular_Weight	416.6
9854012	Exact_Mass	774.9483145
8739	Undefined_Bond_Stereo_Count	0
53932534	Hydrogen_Bond_Donor_Count	1
53477715	Molecular_Weight	639.5
55289386	Covalent_Unit_Count	1
3883	Covalent_Unit_Count	1
22160831	Structure_Complexity	113
3208	Undefined_Bond_Stereo_Count	2
7848	Non-hydrogen_Atom_Count	4
8058	Covalent_Unit_Count	1
49170	Exact_Mass	242.12665706
65238	Defined_Bond_Stereo_Count	0
28	Structure_Complexity	229
5200289	Non-hydrogen_Atom_Count	7
70685	Covalent_Unit_Count	1
5706540	Molecular_Weight	301.46
61101	Hydrogen_Bond_Acceptor_Count	8
26970	Tautomer_Count	1
16682935	Structure_Complexity	205
57565697	Defined_Atom_Stereo_Count	0
5372813	Undefined_Atom_Stereo_Count	0
7702	TPSA	9.2
44719848	Defined_Bond_Stereo_Count	0
8969	Defined_Bond_Stereo_Count	0
142859	Undefined_Atom_Stereo_Count	0
10953443	Undefined_Bond_Stereo_Count	0
16757815	Hydrogen_Bond_Acceptor_Count	16
5880	Defined_Atom_Stereo_Count	7
49778730	TPSA	96.3
6681	Total_Formal_Charge	0
59125088	Hydrogen_Bond_Donor_Count	5
11040682	Defined_Bond_Stereo_Count	0
3082781	Hydrogen_Bond_Acceptor_Count	2
2771917	Defined_Bond_Stereo_Count	0
87110	Rotatable_Bond_Count	0
49057	XLogP3-AA	3.8
43389	Hydrogen_Bond_Donor_Count	0
9909054	Total_Formal_Charge	0
94715	Rotatable_Bond_Count	1
60196364	Molecular_Weight	538.5
33557	Defined_Bond_Stereo_Count	0
54676860	Covalent_Unit_Count	1
140905	Defined_Atom_Stereo_Count	0
135418587	Exact_Mass	86.02286070
2519	Total_Formal_Charge	0
2583	Tautomer_Count	3
75049	Hydrogen_Bond_Donor_Count	1
59082722	Isotope_Atom_Count	0
37864	TPSA	29.5
129228	Rotatable_Bond_Count	3
123347622	Covalent_Unit_Count	1
54570042	Mono_Isotopic_Weight	97.089149355
38989055	Hydrogen_Bond_Donor_Count	0
86855	XLogP3-AA	1.8
6159	Exact_Mass	317.21549268
4163	Defined_Bond_Stereo_Count	0
9548801	Total_Formal_Charge	0
90905460	XLogP3-AA	0.8
75673	Exact_Mass	265.22664588
131801164	Mono_Isotopic_Weight	453.18346091
680429	Defined_Bond_Stereo_Count	0
45480375	Covalent_Unit_Count	1
70339927	Exact_Mass	84.068748264
20357	Molecular_Weight	172.26
33775	Rotatable_Bond_Count	2
129854350	Isotope_Atom_Count	0
135539121	Non-hydrogen_Atom_Count	36
9840857	Defined_Bond_Stereo_Count	0
12576	Mono_Isotopic_Weight	166.03784206
11525	Hydrogen_Bond_Acceptor_Count	1
11543	Defined_Bond_Stereo_Count	0
243556	XLogP3-AA	4.6
242082	Mono_Isotopic_Weight	98.036779430
5358902	Structure_Complexity	159
77245	Molecular_Weight	206.28
22385728	Total_Formal_Charge	0
4090	Structure_Complexity	607
701841	Covalent_Unit_Count	1
53249784	Hydrogen_Bond_Donor_Count	1
65800	Tautomer_Count	1
18068	Hydrogen_Bond_Donor_Count	9
8084	Structure_Complexity	51.9
68940	Non-hydrogen_Atom_Count	27
11788287	Covalent_Unit_Count	1
29982856	Molecular_Weight	342.30
13329881	Structure_Complexity	58.7
40771	Rotatable_Bond_Count	6
12695793	TPSA	3
7923	Hydrogen_Bond_Acceptor_Count	3
6708701	Defined_Atom_Stereo_Count	2
58325	Rotatable_Bond_Count	4
11513721	Rotatable_Bond_Count	20
642633	Molecular_Weight	114.19
6464	Rotatable_Bond_Count	3
53689060	Undefined_Atom_Stereo_Count	0
66599893	Covalent_Unit_Count	1
9939152	Total_Formal_Charge	0
73934	Mono_Isotopic_Weight	115.02335542
8289	Total_Formal_Charge	0
9828911	Total_Formal_Charge	0
129801083	Molecular_Weight	82.10
5608	Structure_Complexity	1420
16441	Isotope_Atom_Count	0
6921800	Rotatable_Bond_Count	6
854389	Hydrogen_Bond_Donor_Count	1
243400	Mono_Isotopic_Weight	164.0604073
138122	Undefined_Bond_Stereo_Count	0
19991465	TPSA	67.5
131843960	Molecular_Weight	461.8
67242154	Non-hydrogen_Atom_Count	8
19143	XLogP3	2.6
40632	Hydrogen_Bond_Donor_Count	0
57589	Undefined_Bond_Stereo_Count	0
10271	TPSA	164
72149	Undefined_Atom_Stereo_Count	0
4993	Undefined_Atom_Stereo_Count	0
7085	Defined_Atom_Stereo_Count	0
70150	Molecular_Weight	178.27
2733797	TPSA	115
16218793	TPSA	74.8
1252759	Hydrogen_Bond_Donor_Count	0
8282	Defined_Atom_Stereo_Count	0
138195	TPSA	26.3
137699188	Molecular_Weight	1526.8
72758138	Molecular_Weight	437.5
38251	Defined_Atom_Stereo_Count	0
53731118	Rotatable_Bond_Count	1
11608786	Total_Formal_Charge	0
16248	Defined_Atom_Stereo_Count	0
5284343	Mono_Isotopic_Weight	307.962121
67058	Covalent_Unit_Count	1
23236224	Rotatable_Bond_Count	0
136045807	Undefined_Atom_Stereo_Count	0
27941	Total_Formal_Charge	0
23677829	Isotope_Atom_Count	0
143714846	Defined_Atom_Stereo_Count	0
182339	Hydrogen_Bond_Donor_Count	1
71	Non-hydrogen_Atom_Count	11
2447	TPSA	72.2
53490	Hydrogen_Bond_Donor_Count	2
8554	Tautomer_Count	1
136838	Structure_Complexity	86.6
58	Isotope_Atom_Count	0
13479278	Mono_Isotopic_Weight	95.073499291
23694217	Hydrogen_Bond_Donor_Count	2
135983	Non-hydrogen_Atom_Count	11
35625	XLogP3-AA	3.5
54292763	Mono_Isotopic_Weight	102.068079557
24825262	Hydrogen_Bond_Donor_Count	1
522536	Hydrogen_Bond_Acceptor_Count	2
4293071	Defined_Bond_Stereo_Count	0
98930	Undefined_Atom_Stereo_Count	1
5367785	Hydrogen_Bond_Donor_Count	0
19239	Exact_Mass	102.079312947
5372405	Defined_Bond_Stereo_Count	1
48845	Exact_Mass	354.19434270
18186100	Non-hydrogen_Atom_Count	6
3001055	Molecular_Weight	314.41
25271884	TPSA	133
62034	Undefined_Bond_Stereo_Count	0
59755737	Covalent_Unit_Count	1
96859	Undefined_Bond_Stereo_Count	0
146158432	Covalent_Unit_Count	1
11269429	Non-hydrogen_Atom_Count	29
156617950	Defined_Atom_Stereo_Count	10
55290205	Exact_Mass	98.048012819
59146659	Hydrogen_Bond_Donor_Count	5
537148	TPSA	12.5
81713	Defined_Bond_Stereo_Count	0
6946681	Covalent_Unit_Count	1
12659781	TPSA	12.5
18171	Total_Formal_Charge	0
68321840	Structure_Complexity	669
148763531	Exact_Mass	107.048347172
19350299	XLogP3-AA	0
13487	Undefined_Atom_Stereo_Count	0
21954776	Total_Formal_Charge	0
3356829	Hydrogen_Bond_Donor_Count	0
522996	Total_Formal_Charge	0
77903	Molecular_Weight	276.4
4368	XLogP3-AA	2.2
49721	Rotatable_Bond_Count	2
5011	Defined_Atom_Stereo_Count	0
7875	Defined_Bond_Stereo_Count	0
17963347	Covalent_Unit_Count	1
19460	TPSA	0
6358	Defined_Atom_Stereo_Count	0
157882	Hydrogen_Bond_Donor_Count	1
5738	Defined_Bond_Stereo_Count	0
3940	Defined_Bond_Stereo_Count	0
13378967	Hydrogen_Bond_Donor_Count	0
5438	Isotope_Atom_Count	0
558092	Structure_Complexity	75.6
76661607	Molecular_Weight	104.15
830140	Structure_Complexity	254
59116084	TPSA	90.2
15910	Undefined_Bond_Stereo_Count	0
3014295	Defined_Bond_Stereo_Count	0
61523	Mono_Isotopic_Weight	164.120115130
129316724	Isotope_Atom_Count	3
43795	Exact_Mass	355.12805404
67542	Isotope_Atom_Count	0
14830385	Molecular_Weight	117.10
57031137	Non-hydrogen_Atom_Count	8
89859387	Defined_Atom_Stereo_Count	0
19778654	Hydrogen_Bond_Donor_Count	1
121587	Non-hydrogen_Atom_Count	22
70967	Non-hydrogen_Atom_Count	11
3015569	Defined_Bond_Stereo_Count	0
486543	Defined_Atom_Stereo_Count	0
13679	Undefined_Atom_Stereo_Count	0
6504	Molecular_Weight	318.32
90408860	Hydrogen_Bond_Donor_Count	0
1150567	Covalent_Unit_Count	1
2315	Defined_Bond_Stereo_Count	0
519963	XLogP3-AA	0.6
11421	Exact_Mass	108.021129366
5479537	Covalent_Unit_Count	1
53361968	Undefined_Bond_Stereo_Count	0
4587	Isotope_Atom_Count	0
41779	Undefined_Bond_Stereo_Count	0
91819969	Mono_Isotopic_Weight	923.48784986
155882889	Hydrogen_Bond_Donor_Count	0
19241	Tautomer_Count	1
24900424	Hydrogen_Bond_Donor_Count	5
5879967	Isotope_Atom_Count	0
19427	Undefined_Bond_Stereo_Count	0
46878477	Structure_Complexity	395
57856017	Exact_Mass	111.068413911
20333380	Hydrogen_Bond_Acceptor_Count	4
6323491	Hydrogen_Bond_Acceptor_Count	6
93050	Molecular_Weight	112.17
30154	Total_Formal_Charge	0
22002061	Covalent_Unit_Count	1
55305	Rotatable_Bond_Count	4
69267	Mono_Isotopic_Weight	153.042593085
6917738	Non-hydrogen_Atom_Count	49
161973	TPSA	0
126961192	Undefined_Atom_Stereo_Count	0
12592	Molecular_Weight	338.7
44593340	Total_Formal_Charge	0
152119	Hydrogen_Bond_Acceptor_Count	4
23545554	Undefined_Bond_Stereo_Count	0
54106053	Molecular_Weight	114.14
5233031	Molecular_Weight	303.2
5340	Isotope_Atom_Count	0
60196320	TPSA	44.5
91525	Undefined_Bond_Stereo_Count	0
78090	Defined_Atom_Stereo_Count	0
17753851	Covalent_Unit_Count	1
23362267	XLogP3-AA	0.3
640543	Covalent_Unit_Count	1
5325710	Undefined_Atom_Stereo_Count	0
1810	Structure_Complexity	386
11586735	Undefined_Bond_Stereo_Count	0
11560	Exact_Mass	169.97311
134717	Tautomer_Count	1
667	Hydrogen_Bond_Donor_Count	11
65910	Hydrogen_Bond_Acceptor_Count	11
33184	Mono_Isotopic_Weight	74.048012819
143403310	Total_Formal_Charge	0
5516	XLogP3-AA	7.2
9547150	Non-hydrogen_Atom_Count	64
69401251	Mono_Isotopic_Weight	111.068413911
56928166	Undefined_Bond_Stereo_Count	0
118946	Isotope_Atom_Count	0
10177	Defined_Bond_Stereo_Count	0
78979	XLogP3-AA	3
19969	Defined_Bond_Stereo_Count	0
21414	Defined_Atom_Stereo_Count	0
15347	Covalent_Unit_Count	1
6445007	Tautomer_Count	1
529278	Hydrogen_Bond_Donor_Count	0
17461	Hydrogen_Bond_Donor_Count	8
58714	Covalent_Unit_Count	1
57114132	Isotope_Atom_Count	0
3826	Hydrogen_Bond_Donor_Count	1
150175	Exact_Mass	237.06372245
177843	Defined_Atom_Stereo_Count	0
78959	Defined_Atom_Stereo_Count	0
6435360	Undefined_Atom_Stereo_Count	1
5360516	Hydrogen_Bond_Acceptor_Count	5
5283305	Tautomer_Count	1
2016	Undefined_Bond_Stereo_Count	0
53316388	Hydrogen_Bond_Donor_Count	2
35726	Undefined_Atom_Stereo_Count	0
123147	Rotatable_Bond_Count	0
540877	Isotope_Atom_Count	0
9911138	Hydrogen_Bond_Donor_Count	2
18518868	Hydrogen_Bond_Acceptor_Count	3
20770500	Rotatable_Bond_Count	1
21702818	Mono_Isotopic_Weight	109.052763847
165542295	Undefined_Atom_Stereo_Count	2
45381640	Undefined_Atom_Stereo_Count	0
12444627	Defined_Bond_Stereo_Count	1
6504	Structure_Complexity	395
2366	Mono_Isotopic_Weight	136.100048391
87125982	Total_Formal_Charge	0
52922056	Total_Formal_Charge	0
129146	Undefined_Bond_Stereo_Count	0
91820194	Undefined_Bond_Stereo_Count	0
5288365	Structure_Complexity	335
22096197	Covalent_Unit_Count	1
29327	Mono_Isotopic_Weight	265.09099983
12581088	Isotope_Atom_Count	0
9962644	Defined_Atom_Stereo_Count	15
154202106	Rotatable_Bond_Count	1
159	Defined_Bond_Stereo_Count	0
140659510	Defined_Bond_Stereo_Count	0
6140	Defined_Atom_Stereo_Count	1
270624	Undefined_Bond_Stereo_Count	0
9893474	Defined_Atom_Stereo_Count	0
285886	Exact_Mass	284.120115130
38031	Hydrogen_Bond_Donor_Count	0
13266	Structure_Complexity	236
908617	Covalent_Unit_Count	1
11541511	Molecular_Weight	576.7
5282761	Defined_Bond_Stereo_Count	1
60936	Defined_Bond_Stereo_Count	0
155259577	Molecular_Weight	512.4
71777706	Rotatable_Bond_Count	6
44296776	Molecular_Weight	490.7
24290	Undefined_Atom_Stereo_Count	0
21583979	Hydrogen_Bond_Donor_Count	1
13042689	Mono_Isotopic_Weight	112.088815002
607248	Exact_Mass	196.0015103
53485229	Undefined_Atom_Stereo_Count	0
38252	Tautomer_Count	1
398640	Undefined_Atom_Stereo_Count	0
53814234	Hydrogen_Bond_Donor_Count	1
656673	Covalent_Unit_Count	1
11965427	TPSA	142
419293	Hydrogen_Bond_Acceptor_Count	2
135398701	Undefined_Bond_Stereo_Count	0
5086	Total_Formal_Charge	0
9848	Hydrogen_Bond_Acceptor_Count	2
14306122	TPSA	52.6
161929	Total_Formal_Charge	0
123662875	Covalent_Unit_Count	1
12233	Hydrogen_Bond_Donor_Count	1
57394836	Molecular_Weight	487.4
45039617	Covalent_Unit_Count	1
6436138	Structure_Complexity	499
64212	Rotatable_Bond_Count	3
5351564	Undefined_Bond_Stereo_Count	0
11120	Undefined_Bond_Stereo_Count	0
12579106	TPSA	20.2
9883029	Exact_Mass	307.132076794
6433415	Defined_Bond_Stereo_Count	1
91285707	Defined_Bond_Stereo_Count	0
85694	Molecular_Weight	398.6
15258936	Mono_Isotopic_Weight	283.08445790
33400	Exact_Mass	343.036958
92840	Tautomer_Count	1
16058629	Mono_Isotopic_Weight	414.96223
25778	Non-hydrogen_Atom_Count	20
5702096	Rotatable_Bond_Count	2
50224	Undefined_Bond_Stereo_Count	0
6490	Isotope_Atom_Count	0
6751	XLogP3-AA	3.6
6445230	Hydrogen_Bond_Donor_Count	2
71584544	Hydrogen_Bond_Donor_Count	2
9854073	Structure_Complexity	1690
5702068	Non-hydrogen_Atom_Count	29
11370864	Non-hydrogen_Atom_Count	21
7683	Undefined_Atom_Stereo_Count	0
57609	Tautomer_Count	16
2724123	XLogP3-AA	1.3
513917	Molecular_Weight	256.21
5282363	Undefined_Atom_Stereo_Count	0
67626	Structure_Complexity	261
114750	Defined_Atom_Stereo_Count	3
13707	Undefined_Bond_Stereo_Count	1
3178	Molecular_Weight	443.5
5380976	Undefined_Bond_Stereo_Count	0
528917	Hydrogen_Bond_Donor_Count	0
13727	Molecular_Weight	279.8
68321815	Isotope_Atom_Count	0
69027241	Structure_Complexity	137
160439	Hydrogen_Bond_Acceptor_Count	2
53322367	TPSA	57
24456	Hydrogen_Bond_Acceptor_Count	8
44525553	Molecular_Weight	370.4
66545764	Non-hydrogen_Atom_Count	37
25245437	Covalent_Unit_Count	1
668081	XLogP3-AA	3.7
58654632	Defined_Bond_Stereo_Count	0
54536507	Hydrogen_Bond_Acceptor_Count	4
530422	Covalent_Unit_Count	1
23087	Undefined_Atom_Stereo_Count	0
72392	Mono_Isotopic_Weight	322.18523456
39198	Tautomer_Count	2
46878477	Covalent_Unit_Count	1
14970212	Rotatable_Bond_Count	0
439369	Rotatable_Bond_Count	9
45182	Non-hydrogen_Atom_Count	19
6432238	Structure_Complexity	2.8
140066067	Undefined_Bond_Stereo_Count	0
5699	Total_Formal_Charge	0
53484567	Non-hydrogen_Atom_Count	8
4639	Defined_Bond_Stereo_Count	0
2799	Structure_Complexity	401
15842094	Exact_Mass	705.63912
14109	XLogP3	5.5
75064	Molecular_Weight	154.12
140143509	Non-hydrogen_Atom_Count	7
151172	Tautomer_Count	11
60196390	Hydrogen_Bond_Acceptor_Count	6
29927142	Hydrogen_Bond_Donor_Count	2
133633	Molecular_Weight	340.8
44119603	Covalent_Unit_Count	1
40469421	Hydrogen_Bond_Donor_Count	2
72200720	Undefined_Atom_Stereo_Count	0
433	Total_Formal_Charge	0
23131983	Isotope_Atom_Count	0
22858512	Exact_Mass	121.917853
3799953	Exact_Mass	78.03774543
2781	Undefined_Bond_Stereo_Count	0
44475367	Undefined_Bond_Stereo_Count	0
139059144	XLogP3-AA	1.2
23724843	Isotope_Atom_Count	0
13306877	Hydrogen_Bond_Acceptor_Count	2
969472	Undefined_Atom_Stereo_Count	0
2779031	Structure_Complexity	237
22340	Structure_Complexity	39.2
62305	Non-hydrogen_Atom_Count	34
10510843	Exact_Mass	117.078978594
72200931	Exact_Mass	459.26813928
131740853	Total_Formal_Charge	0
129853	Undefined_Atom_Stereo_Count	1
172309	Hydrogen_Bond_Donor_Count	0
91899080	XLogP3-AA	2.2
13391464	Exact_Mass	229.06987046
134338399	Mono_Isotopic_Weight	108.032362755
153534619	Covalent_Unit_Count	1
54077874	Hydrogen_Bond_Donor_Count	0
443372	Hydrogen_Bond_Acceptor_Count	4
18947655	Defined_Bond_Stereo_Count	0
11529	Exact_Mass	130.099379685
21867279	Defined_Atom_Stereo_Count	0
137170	Exact_Mass	122.073164938
6055792	Undefined_Bond_Stereo_Count	0
817383	Defined_Bond_Stereo_Count	0
289031	Hydrogen_Bond_Acceptor_Count	7
59750537	Molecular_Weight	83.13
12326432	Hydrogen_Bond_Acceptor_Count	2
20140931	Isotope_Atom_Count	0
81477	Hydrogen_Bond_Donor_Count	2
71793	Undefined_Bond_Stereo_Count	0
88276	TPSA	41.5
76035516	Covalent_Unit_Count	1
543885	Molecular_Weight	112.21
19739476	Non-hydrogen_Atom_Count	7
17750876	TPSA	190
6918572	Total_Formal_Charge	0
12561	Covalent_Unit_Count	1
4646	Defined_Bond_Stereo_Count	0
11228775	Molecular_Weight	111.14
328	Rotatable_Bond_Count	2
169	Hydrogen_Bond_Acceptor_Count	4
73093	Total_Formal_Charge	0
13661	Non-hydrogen_Atom_Count	13
135451068	Covalent_Unit_Count	1
10486	Rotatable_Bond_Count	0
104930	Undefined_Atom_Stereo_Count	0
6011	Covalent_Unit_Count	1
18398	Exact_Mass	114.068079557
65708	Total_Formal_Charge	0
24123450	Covalent_Unit_Count	1
73554303	Non-hydrogen_Atom_Count	13
10473	Molecular_Weight	81.54
145640699	Undefined_Atom_Stereo_Count	2
91180913	Hydrogen_Bond_Acceptor_Count	3
53315792	Hydrogen_Bond_Donor_Count	6
18615	Structure_Complexity	62.7
94932	Hydrogen_Bond_Donor_Count	2
54415369	Structure_Complexity	58.7
119185	Total_Formal_Charge	0
78072498	Exact_Mass	331.168462302
51174	Hydrogen_Bond_Acceptor_Count	5
44724350	TPSA	36.9
163468867	Rotatable_Bond_Count	1
158800	Covalent_Unit_Count	1
16211333	TPSA	38
73922	Exact_Mass	257.95277
136219155	Undefined_Bond_Stereo_Count	0
44134632	Tautomer_Count	1
99338	Non-hydrogen_Atom_Count	6
33630	Hydrogen_Bond_Acceptor_Count	7
21430458	Mono_Isotopic_Weight	117.078978594
8141	Molecular_Weight	128.25
6950248	Mono_Isotopic_Weight	103.099714038
638051	XLogP3-AA	2.4
1548955	Defined_Bond_Stereo_Count	1
44404716	Exact_Mass	543.25556322
110635	Defined_Atom_Stereo_Count	2
16049377	TPSA	128
270	Structure_Complexity	4220
25200541	Exact_Mass	209.95655405
16754849	Defined_Atom_Stereo_Count	2
101582408	Rotatable_Bond_Count	10
18338555	XLogP3-AA	0.2
59296066	Isotope_Atom_Count	0
11459006	Undefined_Atom_Stereo_Count	0
3871	Mono_Isotopic_Weight	344.13186158
108108	Isotope_Atom_Count	0
5047019	Defined_Atom_Stereo_Count	0
1574	XLogP3-AA	1.4
60196385	Mono_Isotopic_Weight	221.07791
157	Covalent_Unit_Count	1
238053	TPSA	75.2
9841259	Molecular_Weight	348.5
639662	Defined_Atom_Stereo_Count	0
25086585	Undefined_Bond_Stereo_Count	0
134694738	Defined_Bond_Stereo_Count	0
22153558	Non-hydrogen_Atom_Count	6
53664307	Covalent_Unit_Count	1
62530	Exact_Mass	206.167065321
8642	Mono_Isotopic_Weight	326.03153051
68678	Undefined_Bond_Stereo_Count	0
6918286	Non-hydrogen_Atom_Count	26
9812414	TPSA	365
65755	Rotatable_Bond_Count	7
164509	XLogP3-AA	2.7
25256833	Covalent_Unit_Count	1
6365696	Exact_Mass	280.240230259
71464628	Covalent_Unit_Count	1
135989	Hydrogen_Bond_Acceptor_Count	0
137018	Covalent_Unit_Count	1
18424759	Hydrogen_Bond_Donor_Count	1
12623293	Molecular_Weight	94.15
12385064	Undefined_Bond_Stereo_Count	0
178103	Non-hydrogen_Atom_Count	37
6454823	Isotope_Atom_Count	0
73351	Hydrogen_Bond_Donor_Count	4
155138	Total_Formal_Charge	0
9892071	Molecular_Weight	497.6
998021	Defined_Atom_Stereo_Count	0
9248	Mono_Isotopic_Weight	182.167065321
49865859	Isotope_Atom_Count	0
129864962	Exact_Mass	322.11398438
134497	Defined_Bond_Stereo_Count	0
6419765	Hydrogen_Bond_Acceptor_Count	3
13387	Covalent_Unit_Count	1
636403	Mono_Isotopic_Weight	570.35565393
45285	Non-hydrogen_Atom_Count	20
676030	Covalent_Unit_Count	1
13065	Undefined_Bond_Stereo_Count	0
7875	Total_Formal_Charge	0
22747783	Structure_Complexity	90.2
54682938	Covalent_Unit_Count	1
24268	Hydrogen_Bond_Acceptor_Count	3
54250649	Exact_Mass	111.068413911
10898675	Covalent_Unit_Count	1
52941462	Exact_Mass	350.199428076
58701785	Hydrogen_Bond_Acceptor_Count	8
56928061	Hydrogen_Bond_Donor_Count	11
64727	XLogP3	3.5
6441079	Undefined_Atom_Stereo_Count	9
94097	Covalent_Unit_Count	1
24808640	Total_Formal_Charge	0
44120162	Defined_Bond_Stereo_Count	0
671690	Mono_Isotopic_Weight	313.0636342
65856	Hydrogen_Bond_Acceptor_Count	4
85421	Mono_Isotopic_Weight	505.208512955
11643926	Covalent_Unit_Count	1
1551097	Exact_Mass	273.00689880
65940	TPSA	129
77160509	Mono_Isotopic_Weight	85.089149355
10074640	Tautomer_Count	48
101576	Mono_Isotopic_Weight	181.089149355
610072	XLogP3-AA	4
126083	Non-hydrogen_Atom_Count	21
20226563	Defined_Atom_Stereo_Count	0
2536	Molecular_Weight	398.4
342570	Hydrogen_Bond_Donor_Count	1
7048533	Exact_Mass	299.04501564
21887872	Undefined_Bond_Stereo_Count	0
118371793	Non-hydrogen_Atom_Count	8
43146	Total_Formal_Charge	0
322968	Rotatable_Bond_Count	2
135412736	Tautomer_Count	1
77302	Structure_Complexity	54.9
102020084	Undefined_Atom_Stereo_Count	0
12649776	Structure_Complexity	74.1
517277	Rotatable_Bond_Count	0
71066	Defined_Atom_Stereo_Count	0
8570	Defined_Bond_Stereo_Count	0
53420227	TPSA	40.5
117569444	Defined_Atom_Stereo_Count	0
11498	Rotatable_Bond_Count	9
1582	Molecular_Weight	553.28
68022407	Hydrogen_Bond_Donor_Count	0
439750	Total_Formal_Charge	0
9830667	Undefined_Bond_Stereo_Count	0
71624688	Hydrogen_Bond_Acceptor_Count	3
82650946	Exact_Mass	115.063328530
11650986	Hydrogen_Bond_Donor_Count	4
14208378	Tautomer_Count	1
11040661	Hydrogen_Bond_Acceptor_Count	2
8992	Undefined_Bond_Stereo_Count	0
10931374	Non-hydrogen_Atom_Count	7
1269	Molecular_Weight	534.7
139202519	Molecular_Weight	426.3
146356470	Covalent_Unit_Count	1
440274	Hydrogen_Bond_Acceptor_Count	4
5281006	Total_Formal_Charge	0
10265934	Molecular_Weight	140.23
146689208	Mono_Isotopic_Weight	110.073164938
441325	Hydrogen_Bond_Acceptor_Count	4
81006	Covalent_Unit_Count	1
68162	Tautomer_Count	1
3828	Undefined_Atom_Stereo_Count	0
20591	Undefined_Atom_Stereo_Count	0
15666	Hydrogen_Bond_Acceptor_Count	2
101982233	Hydrogen_Bond_Acceptor_Count	0
612055	Isotope_Atom_Count	0
70689445	Defined_Atom_Stereo_Count	0
140996483	Undefined_Atom_Stereo_Count	1
16303	Exact_Mass	163.099714038
18771155	Rotatable_Bond_Count	2
1549062	Molecular_Weight	268.2
256019	Exact_Mass	218.04129354
21520336	Non-hydrogen_Atom_Count	21
3898924	Mono_Isotopic_Weight	102.068079557
6450800	Hydrogen_Bond_Donor_Count	1
9904	Non-hydrogen_Atom_Count	20
3730	Non-hydrogen_Atom_Count	34
2002	Defined_Atom_Stereo_Count	0
16219471	Rotatable_Bond_Count	2
62725	Undefined_Atom_Stereo_Count	0
451068	TPSA	57.7
90769054	XLogP3-AA	0.3
285033	Isotope_Atom_Count	0
6042	Mono_Isotopic_Weight	300.0811600
2256	Isotope_Atom_Count	0
11508924	XLogP3-AA	2.3
12873460	XLogP3-AA	1
129631271	Undefined_Atom_Stereo_Count	0
23618032	Tautomer_Count	2
5479529	Hydrogen_Bond_Acceptor_Count	10
3688	TPSA	66.6
57369982	Molecular_Weight	301.25
19819	Hydrogen_Bond_Donor_Count	0
57784	Hydrogen_Bond_Acceptor_Count	6
44560668	Molecular_Weight	401.5
5505	Covalent_Unit_Count	1
10599	Structure_Complexity	364
102090452	Hydrogen_Bond_Acceptor_Count	18
549253	Total_Formal_Charge	0
13033202	Mono_Isotopic_Weight	98.048012819
2734639	Structure_Complexity	133
11857377	Structure_Complexity	313
56682314	Exact_Mass	422.12127520
6097177	Hydrogen_Bond_Acceptor_Count	6
34800	Defined_Bond_Stereo_Count	0
1715135	Defined_Bond_Stereo_Count	1
136502	Exact_Mass	96.068748264
53741494	Undefined_Bond_Stereo_Count	0
3590	Defined_Atom_Stereo_Count	0
53346589	Covalent_Unit_Count	1
702289	Defined_Bond_Stereo_Count	0
19779961	Defined_Bond_Stereo_Count	0
36307	Molecular_Weight	273.31
54130	Mono_Isotopic_Weight	260.152477885
54690315	Structure_Complexity	160
91756	Molecular_Weight	410.4
54739048	Rotatable_Bond_Count	3
148680795	Mono_Isotopic_Weight	112.088815002
72157	Non-hydrogen_Atom_Count	18
153442	Hydrogen_Bond_Donor_Count	1
86811257	Hydrogen_Bond_Acceptor_Count	2
71636	Total_Formal_Charge	0
1494	Defined_Bond_Stereo_Count	0
130845868	Structure_Complexity	96.7
88365	Hydrogen_Bond_Donor_Count	0
20752353	Undefined_Bond_Stereo_Count	0
136477	Defined_Atom_Stereo_Count	0
5282494	Exact_Mass	446.26683893
12713	Isotope_Atom_Count	0
12933274	Hydrogen_Bond_Acceptor_Count	1
6708773	Hydrogen_Bond_Acceptor_Count	4
5354495	Rotatable_Bond_Count	0
14781	Undefined_Atom_Stereo_Count	0
70250504	Molecular_Weight	544.6
23221	Non-hydrogen_Atom_Count	16
73001175	Total_Formal_Charge	0
12574	Covalent_Unit_Count	1
13387	Rotatable_Bond_Count	0
443391	Undefined_Atom_Stereo_Count	0
24763119	Non-hydrogen_Atom_Count	25
59277839	Rotatable_Bond_Count	1
6327350	Hydrogen_Bond_Donor_Count	0
5371562	Isotope_Atom_Count	0
825522	TPSA	52.6
85743571	Isotope_Atom_Count	0
129849	XLogP3-AA	11.6
19910037	Undefined_Bond_Stereo_Count	0
133620	TPSA	78.8
65249	Molecular_Weight	147.13
8748	Hydrogen_Bond_Acceptor_Count	1
6400271	Total_Formal_Charge	0
70690634	Undefined_Atom_Stereo_Count	0
13734208	Undefined_Bond_Stereo_Count	0
14133354	Hydrogen_Bond_Donor_Count	0
13158036	Hydrogen_Bond_Acceptor_Count	1
145994868	Molecular_Weight	3283.6
67125854	Undefined_Atom_Stereo_Count	0
13019077	TPSA	60.7
135297777	TPSA	39.2
14116047	Total_Formal_Charge	0
175534	Undefined_Bond_Stereo_Count	0
1449	XLogP3	7.1
10727	TPSA	20.3
50888	Hydrogen_Bond_Donor_Count	2
5388949	Undefined_Atom_Stereo_Count	0
2844	Total_Formal_Charge	0
13945	Defined_Bond_Stereo_Count	0
6673	Hydrogen_Bond_Donor_Count	0
24848920	Exact_Mass	303.19467705
1201386	Rotatable_Bond_Count	0
16722522	Total_Formal_Charge	0
795	Exact_Mass	68.037448136
10887840	Defined_Atom_Stereo_Count	0
127527	Isotope_Atom_Count	0
85862	Rotatable_Bond_Count	4
6433082	Isotope_Atom_Count	0
56669107	Mono_Isotopic_Weight	393.17133645
219099	Total_Formal_Charge	0
15864840	Isotope_Atom_Count	0
5326	TPSA	116
5081356	Mono_Isotopic_Weight	534.95758307
158758	Total_Formal_Charge	0
54758405	Total_Formal_Charge	0
138924	TPSA	0
119096	TPSA	80.7
11174789	Covalent_Unit_Count	1
23677967	Isotope_Atom_Count	0
16682730	TPSA	26.3
24450	Molecular_Weight	174.176
362828	Exact_Mass	297.11134135
20165534	Covalent_Unit_Count	1
561	Hydrogen_Bond_Acceptor_Count	7
12580	Structure_Complexity	82.7
7296	Non-hydrogen_Atom_Count	6
5357402	Hydrogen_Bond_Acceptor_Count	0
7431	Isotope_Atom_Count	0
5459830	Isotope_Atom_Count	0
412781	Covalent_Unit_Count	1
124202907	Molecular_Weight	354.21
701718	Hydrogen_Bond_Acceptor_Count	5
10256734	Rotatable_Bond_Count	7
33728341	Mono_Isotopic_Weight	113.058911855
91617740	Isotope_Atom_Count	0
19027761	Total_Formal_Charge	0
13736254	Non-hydrogen_Atom_Count	8
16036825	Structure_Complexity	499
6344	Mono_Isotopic_Weight	83.9533555
41892	Hydrogen_Bond_Donor_Count	1
78145	Non-hydrogen_Atom_Count	10
5284645	Defined_Bond_Stereo_Count	1
24901285	TPSA	119
445715	Undefined_Bond_Stereo_Count	0
809622	TPSA	82.9
77014	Covalent_Unit_Count	1
10267191	Molecular_Weight	307.13
69	Total_Formal_Charge	0
7746	Rotatable_Bond_Count	2
40466988	Non-hydrogen_Atom_Count	36
24865076	Covalent_Unit_Count	1
11253490	Total_Formal_Charge	0
133967	XLogP3-AA	5.1
44368	Mono_Isotopic_Weight	266.109550447
10044	Isotope_Atom_Count	0
68553	TPSA	93.1
29079	Mono_Isotopic_Weight	240.03823598
14443	Hydrogen_Bond_Acceptor_Count	6
11409499	Undefined_Atom_Stereo_Count	0
170750	Rotatable_Bond_Count	5
129866213	Total_Formal_Charge	0
34533	Rotatable_Bond_Count	3
63134	Isotope_Atom_Count	0
518234	XLogP3-AA	1.5
715513	Covalent_Unit_Count	1
515	Hydrogen_Bond_Acceptor_Count	7
9247	Undefined_Bond_Stereo_Count	0
518516	XLogP3-AA	3.4
1951	XLogP3	4.5
77529	Structure_Complexity	138
89602862	Defined_Bond_Stereo_Count	0
10409908	Rotatable_Bond_Count	5
107	Defined_Atom_Stereo_Count	0
3153	Isotope_Atom_Count	0
69534	Defined_Bond_Stereo_Count	0
69852	Non-hydrogen_Atom_Count	10
67556876	Exact_Mass	388.29774513
138394518	Covalent_Unit_Count	1
67314475	TPSA	40.7
375860	TPSA	47.6
21330	Undefined_Bond_Stereo_Count	0
350825	Undefined_Bond_Stereo_Count	0
151404	Molecular_Weight	69.06
24410	Non-hydrogen_Atom_Count	5
42006	Total_Formal_Charge	0
517000	Exact_Mass	388.07290741
14379827	Total_Formal_Charge	0
62580	Undefined_Atom_Stereo_Count	0
10051341	Isotope_Atom_Count	0
57174031	Defined_Bond_Stereo_Count	0
5282350	Rotatable_Bond_Count	9
17907603	TPSA	37.3
11287722	Exact_Mass	232.10341969
15013749	Non-hydrogen_Atom_Count	39
105084	TPSA	24.9
104794	Undefined_Atom_Stereo_Count	0
22779	Total_Formal_Charge	0
67246787	Exact_Mass	410.0833482
231934	Defined_Bond_Stereo_Count	1
94865125	Total_Formal_Charge	0
44214615	Structure_Complexity	203
595161	XLogP3-AA	1.7
12773795	TPSA	27
2898	Structure_Complexity	503
18330928	Defined_Atom_Stereo_Count	0
6604914	Mono_Isotopic_Weight	309.1244046
53477794	Covalent_Unit_Count	1
23688461	Rotatable_Bond_Count	0
5279171	Isotope_Atom_Count	0
543880	TPSA	9.2
10621272	Hydrogen_Bond_Donor_Count	4
117717939	Rotatable_Bond_Count	4
19786354	Hydrogen_Bond_Donor_Count	0
10178	Undefined_Bond_Stereo_Count	0
3373	Hydrogen_Bond_Acceptor_Count	5
72149	Isotope_Atom_Count	0
46244454	Undefined_Atom_Stereo_Count	0
83960	Molecular_Weight	499.2
2063927	Rotatable_Bond_Count	1
123297087	Rotatable_Bond_Count	0
91895934	Exact_Mass	560.27338086
22420	Mono_Isotopic_Weight	278.0353848
13639659	Rotatable_Bond_Count	0
1422	Total_Formal_Charge	0
11817188	TPSA	20.2
9964188	Total_Formal_Charge	0
834999	Molecular_Weight	285.23
71583603	Covalent_Unit_Count	1
25102937	TPSA	153
84130	Defined_Bond_Stereo_Count	0
44443935	Isotope_Atom_Count	0
7213685	Defined_Bond_Stereo_Count	0
131741206	Undefined_Bond_Stereo_Count	0
2083	Isotope_Atom_Count	0
5324584	Structure_Complexity	53.2
15877745	XLogP3-AA	1.5
71946	Hydrogen_Bond_Acceptor_Count	6
1059	Total_Formal_Charge	0
83774	Tautomer_Count	1
19878	Rotatable_Bond_Count	1
545317	Mono_Isotopic_Weight	226.12050905
135648979	Undefined_Atom_Stereo_Count	0
763	Defined_Atom_Stereo_Count	0
3824520	Non-hydrogen_Atom_Count	8
675	Defined_Atom_Stereo_Count	0
6043	Non-hydrogen_Atom_Count	10
208880	Non-hydrogen_Atom_Count	8
65327	Covalent_Unit_Count	2
158550	Defined_Atom_Stereo_Count	4
10048368	Undefined_Bond_Stereo_Count	0
20503	Exact_Mass	388.22497412
43580	Isotope_Atom_Count	0
409438	Non-hydrogen_Atom_Count	12
26758	Molecular_Weight	223.74
12493366	TPSA	32.1
913	Molecular_Weight	151.21
15561463	Structure_Complexity	62.7
21635382	Exact_Mass	105.078978594
29625	Defined_Bond_Stereo_Count	0
72200865	Rotatable_Bond_Count	12
39066	XLogP3-AA	5.2
5230726	Defined_Atom_Stereo_Count	0
393601	Rotatable_Bond_Count	7
15757501	Undefined_Bond_Stereo_Count	0
92292	Non-hydrogen_Atom_Count	15
43102	Undefined_Atom_Stereo_Count	0
16221343	Total_Formal_Charge	0
6401302	Total_Formal_Charge	0
63002	Molecular_Weight	538.1
136091	Rotatable_Bond_Count	0
59111489	Structure_Complexity	415
68953	Defined_Bond_Stereo_Count	0
76997	Covalent_Unit_Count	1
76963096	Covalent_Unit_Count	2
12412244	Molecular_Weight	87.08
59330719	Defined_Atom_Stereo_Count	0
19077520	Exact_Mass	416.1415318
135398592	Non-hydrogen_Atom_Count	19
78962	Hydrogen_Bond_Acceptor_Count	0
5845	Tautomer_Count	1
89144	Structure_Complexity	216
9966051	Exact_Mass	298.15036988
320055	Non-hydrogen_Atom_Count	8
9568077	Defined_Bond_Stereo_Count	1
79437	Structure_Complexity	414
13590	Defined_Bond_Stereo_Count	0
101946434	Isotope_Atom_Count	0
23698052	Covalent_Unit_Count	2
42768	Mono_Isotopic_Weight	520.22725974
9246	Isotope_Atom_Count	0
19860177	Rotatable_Bond_Count	3
77456	Hydrogen_Bond_Donor_Count	0
20782632	Total_Formal_Charge	0
123628	Undefined_Atom_Stereo_Count	0
123268	Tautomer_Count	1
8002585	Defined_Bond_Stereo_Count	0
22608833	Defined_Bond_Stereo_Count	0
7827	Undefined_Atom_Stereo_Count	0
154655788	Defined_Atom_Stereo_Count	0
22986754	Defined_Bond_Stereo_Count	0
11126224	Exact_Mass	116.047344113
89446525	Structure_Complexity	180
4262071	Non-hydrogen_Atom_Count	24
17412	Covalent_Unit_Count	1
124823816	Defined_Atom_Stereo_Count	9
125127453	Covalent_Unit_Count	1
23497	Mono_Isotopic_Weight	211.08445790
96381	Exact_Mass	220.146329876
10316	Undefined_Atom_Stereo_Count	0
10643636	Covalent_Unit_Count	1
16760577	Defined_Bond_Stereo_Count	0
6971033	Rotatable_Bond_Count	2
140291701	TPSA	63.3
12702413	Hydrogen_Bond_Donor_Count	1
56801	TPSA	140
9887867	Hydrogen_Bond_Acceptor_Count	2
6539029	Mono_Isotopic_Weight	465.19469430
68437	Tautomer_Count	1
12515628	XLogP3-AA	0.9
13507024	Tautomer_Count	23
6323236	Undefined_Atom_Stereo_Count	0
3427828	Undefined_Bond_Stereo_Count	0
6712980	Covalent_Unit_Count	1
10031812	Exact_Mass	620.33089573
85979	Undefined_Atom_Stereo_Count	1
6438130	Covalent_Unit_Count	2
72326	Structure_Complexity	786
5175	Exact_Mass	339.1059778
141466486	Molecular_Weight	98.10
3052	Hydrogen_Bond_Donor_Count	0
61638	Tautomer_Count	1
2280	Rotatable_Bond_Count	4
76957024	Hydrogen_Bond_Acceptor_Count	4
163201191	Undefined_Atom_Stereo_Count	2
30215	Tautomer_Count	1
4171	Undefined_Bond_Stereo_Count	0
9164	Isotope_Atom_Count	0
28145921	Rotatable_Bond_Count	9
817	Total_Formal_Charge	0
44445387	Hydrogen_Bond_Acceptor_Count	4
6093219	Molecular_Weight	339.5
74839	Hydrogen_Bond_Donor_Count	2
186114	Non-hydrogen_Atom_Count	6
76960246	Structure_Complexity	367
94603	Molecular_Weight	230.3
53701126	Undefined_Bond_Stereo_Count	0
38980	Total_Formal_Charge	0
5368076	Non-hydrogen_Atom_Count	12
48659	Isotope_Atom_Count	0
591313	Total_Formal_Charge	0
2415	Undefined_Bond_Stereo_Count	0
52083990	Undefined_Atom_Stereo_Count	0
34260	Undefined_Atom_Stereo_Count	2
259361	XLogP3-AA	1
2292	Total_Formal_Charge	0
58655	Structure_Complexity	212
6947362	Total_Formal_Charge	0
131801164	Defined_Atom_Stereo_Count	1
9664	TPSA	0
158348	Isotope_Atom_Count	0
25323014	Structure_Complexity	254
36559	Hydrogen_Bond_Donor_Count	0
90561	Tautomer_Count	7
13658066	Exact_Mass	112.052429494
71905	Undefined_Atom_Stereo_Count	0
68023775	XLogP3-AA	1
183679	Non-hydrogen_Atom_Count	20
5353646	TPSA	76.8
5460044	Defined_Bond_Stereo_Count	0
1548943	Undefined_Atom_Stereo_Count	0
90658468	Non-hydrogen_Atom_Count	24
44475990	Hydrogen_Bond_Donor_Count	2
11182575	Mono_Isotopic_Weight	98.073164938
10523409	Mono_Isotopic_Weight	371.963539
121396	Structure_Complexity	227
23694213	Defined_Atom_Stereo_Count	3
1479479	Hydrogen_Bond_Donor_Count	0
3611	Rotatable_Bond_Count	1
41721	Covalent_Unit_Count	2
1855	Exact_Mass	214.09535693
59059041	Hydrogen_Bond_Acceptor_Count	3
137184495	Undefined_Bond_Stereo_Count	0
6931391	Hydrogen_Bond_Donor_Count	1
1108	Non-hydrogen_Atom_Count	17
188219	Hydrogen_Bond_Acceptor_Count	16
56842108	Rotatable_Bond_Count	5
16212959	Hydrogen_Bond_Acceptor_Count	6
101059324	Defined_Bond_Stereo_Count	0
947	TPSA	47.6
6476	Defined_Bond_Stereo_Count	0
88287569	Undefined_Atom_Stereo_Count	2
74990	Covalent_Unit_Count	2
71681634	Total_Formal_Charge	0
84954	Structure_Complexity	440
10931393	Covalent_Unit_Count	1
131536	Molecular_Weight	585.6
3382	Isotope_Atom_Count	0
6432236	Undefined_Atom_Stereo_Count	0
199229	Undefined_Atom_Stereo_Count	2
145679260	Total_Formal_Charge	0
156592059	Total_Formal_Charge	0
11569	Undefined_Bond_Stereo_Count	0
5354264	Defined_Atom_Stereo_Count	0
373077	Tautomer_Count	7
411312	Molecular_Weight	299.4
134754219	Mono_Isotopic_Weight	785.35235945
69086581	Total_Formal_Charge	0
4424	Non-hydrogen_Atom_Count	48
11767	Undefined_Atom_Stereo_Count	0
54150248	Hydrogen_Bond_Donor_Count	1
135438424	Structure_Complexity	1040
226057	Undefined_Bond_Stereo_Count	0
23540330	Hydrogen_Bond_Acceptor_Count	2
91230338	Mono_Isotopic_Weight	110.109550447
154809859	Mono_Isotopic_Weight	665.30474055
688093	Non-hydrogen_Atom_Count	13
2400	Exact_Mass	341.116426730
107720	Defined_Atom_Stereo_Count	1
9971980	Total_Formal_Charge	0
57572416	Hydrogen_Bond_Donor_Count	4
6857497	Molecular_Weight	227.34
447123	Mono_Isotopic_Weight	337.09437113
73707684	Non-hydrogen_Atom_Count	7
17755	Molecular_Weight	102.13
5373493	XLogP3	0.3
5478933	XLogP3-AA	2.2
439298	Defined_Atom_Stereo_Count	12
45157716	Defined_Bond_Stereo_Count	0
59232326	Isotope_Atom_Count	0
66275	Defined_Atom_Stereo_Count	0
129195194	Rotatable_Bond_Count	1
2782896	Undefined_Bond_Stereo_Count	0
10252	TPSA	66.4
11564168	Non-hydrogen_Atom_Count	62
89487	TPSA	20.2
25162926	Defined_Bond_Stereo_Count	0
27712	Exact_Mass	335.15214353
94330	Undefined_Atom_Stereo_Count	0
57179768	Hydrogen_Bond_Donor_Count	1
86350	Hydrogen_Bond_Donor_Count	0
135532293	TPSA	106
513917	Undefined_Bond_Stereo_Count	0
45006148	Hydrogen_Bond_Donor_Count	1
464205	Structure_Complexity	354
31016	Defined_Bond_Stereo_Count	0
156591873	Undefined_Atom_Stereo_Count	6
449369	Isotope_Atom_Count	0
13945	Total_Formal_Charge	0
57825223	Covalent_Unit_Count	1
10077129	Undefined_Bond_Stereo_Count	0
17001	Molecular_Weight	280.4
80467969	Defined_Bond_Stereo_Count	0
3985879	Exact_Mass	99.104799419
22221737	Undefined_Atom_Stereo_Count	0
43436603	TPSA	44
45381907	Structure_Complexity	677
439846	Rotatable_Bond_Count	1
441337	Undefined_Bond_Stereo_Count	0
23670774	Total_Formal_Charge	0
62278	Hydrogen_Bond_Donor_Count	1
16213711	Defined_Atom_Stereo_Count	0
2816568	Undefined_Bond_Stereo_Count	0
18303	TPSA	26.3
51397515	Non-hydrogen_Atom_Count	37
96393	TPSA	38
88861581	XLogP3-AA	1.2
35781	Defined_Atom_Stereo_Count	0
11412863	Defined_Bond_Stereo_Count	0
57280	Defined_Atom_Stereo_Count	0
58473795	Defined_Bond_Stereo_Count	0
129864959	Undefined_Atom_Stereo_Count	1
11256720	Rotatable_Bond_Count	3
599131	Defined_Atom_Stereo_Count	0
10633	Molecular_Weight	304.5
16757820	Non-hydrogen_Atom_Count	26
28213	Undefined_Bond_Stereo_Count	0
60196338	Mono_Isotopic_Weight	935.47259372
85945952	Defined_Bond_Stereo_Count	0
593369	XLogP3-AA	3.7
23957	Mono_Isotopic_Weight	96.90636
54738	Non-hydrogen_Atom_Count	19
54688	Hydrogen_Bond_Donor_Count	4
53507	Non-hydrogen_Atom_Count	24
73162904	Undefined_Atom_Stereo_Count	0
149514711	Molecular_Weight	112.17
20469	Isotope_Atom_Count	0
59933239	Defined_Bond_Stereo_Count	0
164656	Defined_Bond_Stereo_Count	0
6946312	Non-hydrogen_Atom_Count	10
20435525	Hydrogen_Bond_Donor_Count	0
688091	Defined_Atom_Stereo_Count	0
16669	Molecular_Weight	204.31
101973938	Mono_Isotopic_Weight	411.24095853
17806836	Isotope_Atom_Count	0
124745612	Total_Formal_Charge	0
11245456	Hydrogen_Bond_Donor_Count	1
271553	Hydrogen_Bond_Donor_Count	1
575893	Hydrogen_Bond_Acceptor_Count	3
44152363	Exact_Mass	459.26342531
73706	Non-hydrogen_Atom_Count	13
20352	Rotatable_Bond_Count	4
126479882	Mono_Isotopic_Weight	637.15978786
228506	Total_Formal_Charge	0
74442	Hydrogen_Bond_Acceptor_Count	2
447661	Covalent_Unit_Count	1
447405	Defined_Bond_Stereo_Count	0
54587759	Covalent_Unit_Count	1
9793696	Undefined_Bond_Stereo_Count	0
15370743	Isotope_Atom_Count	0
688272	Total_Formal_Charge	0
6030	Undefined_Atom_Stereo_Count	0
45116669	Tautomer_Count	1
5939	Non-hydrogen_Atom_Count	7
66425	Structure_Complexity	408
15851	Isotope_Atom_Count	0
21930923	TPSA	56.5
22068766	Defined_Bond_Stereo_Count	0
317543	Hydrogen_Bond_Acceptor_Count	1
22000495	Molecular_Weight	101.10
33791	Non-hydrogen_Atom_Count	14
1548986	Covalent_Unit_Count	1
520546	XLogP3-AA	0.7
4032	Mono_Isotopic_Weight	167.167399674
85301	XLogP3	1.4
514	Molecular_Weight	483.3
160368576	TPSA	99.6
242493	Undefined_Bond_Stereo_Count	0
2349	Defined_Atom_Stereo_Count	0
23627460	Hydrogen_Bond_Donor_Count	3
22623468	Hydrogen_Bond_Donor_Count	0
11029756	Total_Formal_Charge	0
183811	Non-hydrogen_Atom_Count	32
64761	Rotatable_Bond_Count	9
60196406	Hydrogen_Bond_Donor_Count	3
23668193	Rotatable_Bond_Count	0
16219385	Hydrogen_Bond_Acceptor_Count	6
5354486	Hydrogen_Bond_Donor_Count	2
3782034	Rotatable_Bond_Count	0
10599	Undefined_Atom_Stereo_Count	1
129815925	TPSA	24.4
20041648	Hydrogen_Bond_Donor_Count	1
13311902	Non-hydrogen_Atom_Count	7
75282	Molecular_Weight	170.16
258618	Hydrogen_Bond_Acceptor_Count	1
3037131	Structure_Complexity	27.5
161765303	Defined_Bond_Stereo_Count	0
2783176	XLogP3-AA	1.4
11979781	TPSA	356
6433095	Non-hydrogen_Atom_Count	41
12262	Defined_Bond_Stereo_Count	0
81146	Hydrogen_Bond_Acceptor_Count	3
12713	Defined_Atom_Stereo_Count	0
6992086	Undefined_Bond_Stereo_Count	0
6937	Mono_Isotopic_Weight	164.120115130
638057	Rotatable_Bond_Count	0
69957602	Defined_Bond_Stereo_Count	0
11948	Rotatable_Bond_Count	2
117891679	TPSA	17.1
7451	Rotatable_Bond_Count	2
704205	Undefined_Atom_Stereo_Count	0
9958230	XLogP3-AA	2.4
449355	Hydrogen_Bond_Acceptor_Count	9
11701	Structure_Complexity	159
52660	Undefined_Atom_Stereo_Count	3
26514	Rotatable_Bond_Count	6
606817	Molecular_Weight	211.13
627386	Hydrogen_Bond_Donor_Count	1
48041	Mono_Isotopic_Weight	352.215078140
16130295	TPSA	2820
7571	Undefined_Atom_Stereo_Count	0
136316	Non-hydrogen_Atom_Count	8
42602176	XLogP3-AA	1.3
5283741	Molecular_Weight	416.6
90993	Undefined_Bond_Stereo_Count	0
63079	Total_Formal_Charge	0
54587655	Hydrogen_Bond_Donor_Count	1
70684298	Undefined_Bond_Stereo_Count	0
88154	Hydrogen_Bond_Donor_Count	3
5282219	TPSA	82.1
8473	Defined_Atom_Stereo_Count	0
123816513	Defined_Bond_Stereo_Count	0
70257	Defined_Bond_Stereo_Count	0
95187	Rotatable_Bond_Count	0
55284153	Mono_Isotopic_Weight	112.074896272
24482	Defined_Atom_Stereo_Count	0
44392167	Molecular_Weight	519.7
8630	Tautomer_Count	1
77890	Isotope_Atom_Count	0
20146588	Total_Formal_Charge	0
16220015	Non-hydrogen_Atom_Count	26
10994	Isotope_Atom_Count	0
4871	Defined_Atom_Stereo_Count	0
19596	Hydrogen_Bond_Acceptor_Count	7
93078	Defined_Atom_Stereo_Count	2
6778	Undefined_Atom_Stereo_Count	0
6387	Isotope_Atom_Count	0
13104807	Undefined_Bond_Stereo_Count	0
26068	Hydrogen_Bond_Donor_Count	1
46205733	Non-hydrogen_Atom_Count	42
45117195	Isotope_Atom_Count	0
129735833	Non-hydrogen_Atom_Count	11
79117667	Structure_Complexity	135
15920061	TPSA	38
123672484	TPSA	21.6
79117672	Undefined_Bond_Stereo_Count	0
12434511	Hydrogen_Bond_Donor_Count	0
1636	Exact_Mass	488.13412551
16329	Exact_Mass	231.98876
97754	Hydrogen_Bond_Acceptor_Count	2
55182	Structure_Complexity	443
71916	TPSA	78.8
443406	TPSA	43.7
9846875	Exact_Mass	456.19435995
54043984	Defined_Atom_Stereo_Count	0
6293	Covalent_Unit_Count	1
25210	Structure_Complexity	125
11753673	Exact_Mass	597.33150487
24883432	Undefined_Bond_Stereo_Count	0
60148380	Defined_Bond_Stereo_Count	0
6328154	Mono_Isotopic_Weight	263.07428675
9577230	Rotatable_Bond_Count	16
14147082	Non-hydrogen_Atom_Count	8
31216	Total_Formal_Charge	0
3664	Hydrogen_Bond_Acceptor_Count	10
105037	Molecular_Weight	153.18
28430	Total_Formal_Charge	0
17787271	Structure_Complexity	135
5918	Molecular_Weight	109.13
20864	Covalent_Unit_Count	1
628949	Mono_Isotopic_Weight	316.276615768
53485229	Undefined_Bond_Stereo_Count	0
15072854	Exact_Mass	113.084063974
24884197	Rotatable_Bond_Count	1
29083	XLogP3-AA	0.2
11105319	Hydrogen_Bond_Acceptor_Count	2
4320947	Tautomer_Count	1
6922	Mono_Isotopic_Weight	161.04523368
133429	Covalent_Unit_Count	1
12959020	Covalent_Unit_Count	1
20571541	Hydrogen_Bond_Donor_Count	1
3078	Covalent_Unit_Count	1
34312	Hydrogen_Bond_Acceptor_Count	2
96354	Defined_Bond_Stereo_Count	0
141112	Undefined_Atom_Stereo_Count	0
66755	Defined_Bond_Stereo_Count	0
24181099	Isotope_Atom_Count	0
8738	Mono_Isotopic_Weight	146.094294304
5284540	Hydrogen_Bond_Acceptor_Count	7
13432	Covalent_Unit_Count	1
10772936	Hydrogen_Bond_Acceptor_Count	1
165141	Defined_Bond_Stereo_Count	0
7989	Isotope_Atom_Count	0
642110	Hydrogen_Bond_Donor_Count	1
3724921	Rotatable_Bond_Count	3
24785025	Defined_Atom_Stereo_Count	0
137837	Defined_Atom_Stereo_Count	0
154803918	Structure_Complexity	1220
97341	Undefined_Atom_Stereo_Count	2
118460906	Hydrogen_Bond_Donor_Count	8
2267	Defined_Bond_Stereo_Count	0
50901	Tautomer_Count	3
3033836	Structure_Complexity	196
12608294	Structure_Complexity	77.6
69632	Defined_Bond_Stereo_Count	0
146681133	Defined_Atom_Stereo_Count	0
19782729	Defined_Bond_Stereo_Count	0
24208	Defined_Atom_Stereo_Count	0
6436126	Total_Formal_Charge	0
89027474	Defined_Bond_Stereo_Count	0
14362	Structure_Complexity	372
117291	Rotatable_Bond_Count	16
107908	Structure_Complexity	8
136059	Defined_Atom_Stereo_Count	0
6854	Tautomer_Count	1
23616669	TPSA	72
1488	Covalent_Unit_Count	1
163957061	Defined_Atom_Stereo_Count	0
143399	Total_Formal_Charge	0
565932	XLogP3-AA	4.3
16154789	Molecular_Weight	1198.9
57687	Molecular_Weight	367.8
9106	Rotatable_Bond_Count	0
54258195	Hydrogen_Bond_Acceptor_Count	3
6450278	Undefined_Atom_Stereo_Count	0
89300333	Structure_Complexity	111
10994	Structure_Complexity	104
3455	Exact_Mass	450.24826997
94280	Non-hydrogen_Atom_Count	22
33733	Undefined_Atom_Stereo_Count	0
138395106	Non-hydrogen_Atom_Count	85
49857317	Exact_Mass	394.15535203
518713	Undefined_Bond_Stereo_Count	0
5287851	Undefined_Bond_Stereo_Count	0
6433266	Covalent_Unit_Count	1
6649	Hydrogen_Bond_Donor_Count	4
5481119	Hydrogen_Bond_Acceptor_Count	6
97135	Non-hydrogen_Atom_Count	16
137843	Structure_Complexity	157
10446567	Undefined_Atom_Stereo_Count	0
9974756	Total_Formal_Charge	0
3664	Rotatable_Bond_Count	5
119432	Structure_Complexity	0
23948	Rotatable_Bond_Count	0
31738	Non-hydrogen_Atom_Count	13
26035	Mono_Isotopic_Weight	326.14528450
104881	XLogP3-AA	4.9
13195837	Isotope_Atom_Count	0
168076	Isotope_Atom_Count	0
51579	Defined_Atom_Stereo_Count	0
16212746	Undefined_Atom_Stereo_Count	0
287180	Rotatable_Bond_Count	3
108312	Molecular_Weight	178.27
9812	Molecular_Weight	229.25
56430	Isotope_Atom_Count	0
54151808	Total_Formal_Charge	0
68739327	Defined_Bond_Stereo_Count	0
9340	Undefined_Atom_Stereo_Count	1
23684896	Hydrogen_Bond_Donor_Count	1
123755	Hydrogen_Bond_Acceptor_Count	7
4097	Undefined_Bond_Stereo_Count	0
139589863	Covalent_Unit_Count	1
71678916	Structure_Complexity	688
52165	TPSA	74.8
10197660	Undefined_Atom_Stereo_Count	2
448979	Exact_Mass	361.0328700
12643154	TPSA	21.9
11194160	Covalent_Unit_Count	1
7115	Hydrogen_Bond_Acceptor_Count	0
107144	Defined_Atom_Stereo_Count	0
15529	Covalent_Unit_Count	1
130224411	Undefined_Bond_Stereo_Count	0
53249535	Exact_Mass	364.16343649
1724	Undefined_Bond_Stereo_Count	0
5478817	Mono_Isotopic_Weight	171.945894
22286946	Mono_Isotopic_Weight	99.068413911
21227	XLogP3-AA	1.2
19972	Hydrogen_Bond_Donor_Count	2
6476	Total_Formal_Charge	0
54572926	Undefined_Atom_Stereo_Count	0
15565266	Hydrogen_Bond_Acceptor_Count	2
76988	Hydrogen_Bond_Acceptor_Count	1
19526	Rotatable_Bond_Count	1
8554	Molecular_Weight	194.18
5008	Defined_Bond_Stereo_Count	0
61303	Undefined_Atom_Stereo_Count	0
115116	Hydrogen_Bond_Acceptor_Count	3
5284613	Mono_Isotopic_Weight	530.28796829
2218	Covalent_Unit_Count	1
347475	Hydrogen_Bond_Acceptor_Count	1
681	Defined_Bond_Stereo_Count	0
72002	Hydrogen_Bond_Donor_Count	2
2910	Structure_Complexity	758
1765	Hydrogen_Bond_Acceptor_Count	13
43454	Undefined_Atom_Stereo_Count	0
60202105	Covalent_Unit_Count	1
62280	Hydrogen_Bond_Donor_Count	5
93171	Defined_Bond_Stereo_Count	0
20681276	Non-hydrogen_Atom_Count	8
595875	Isotope_Atom_Count	0
221387	Tautomer_Count	2
815404	Hydrogen_Bond_Donor_Count	0
10857507	Non-hydrogen_Atom_Count	16
10189783	Undefined_Atom_Stereo_Count	0
86811213	XLogP3-AA	0.9
5282745	Hydrogen_Bond_Acceptor_Count	2
12310946	Hydrogen_Bond_Acceptor_Count	0
20477345	Defined_Atom_Stereo_Count	0
11526038	Total_Formal_Charge	0
82917	Isotope_Atom_Count	0
23311753	Undefined_Bond_Stereo_Count	0
24867851	Hydrogen_Bond_Donor_Count	1
33539	TPSA	96.2
21322	Non-hydrogen_Atom_Count	14
5208	Exact_Mass	288.09977361
14720269	Mono_Isotopic_Weight	381.11230696
9909912	Structure_Complexity	108
4840	Isotope_Atom_Count	0
5281969	Structure_Complexity	408
12959020	Rotatable_Bond_Count	0
11442891	Structure_Complexity	731
9955014	Structure_Complexity	545
64772	Isotope_Atom_Count	0
3366	Non-hydrogen_Atom_Count	9
23661867	Exact_Mass	230.00135954
53245830	Rotatable_Bond_Count	17
73852	Non-hydrogen_Atom_Count	17
3386966	Defined_Bond_Stereo_Count	0
54215450	Molecular_Weight	101.10
43815	Hydrogen_Bond_Donor_Count	1
133611945	Exact_Mass	612.07668989
6327109	Hydrogen_Bond_Donor_Count	1
3264	Defined_Atom_Stereo_Count	0
5281080	Defined_Atom_Stereo_Count	2
9912771	Defined_Bond_Stereo_Count	0
11083832	Covalent_Unit_Count	1
162291	TPSA	52.6
68009306	Total_Formal_Charge	0
5455	Rotatable_Bond_Count	3
79059	Isotope_Atom_Count	0
17820196	Defined_Atom_Stereo_Count	0
13933900	TPSA	35.3
57452	Molecular_Weight	210.66
71457010	Hydrogen_Bond_Acceptor_Count	5
221126	Hydrogen_Bond_Donor_Count	0
19999	Structure_Complexity	34.6
154518370	Total_Formal_Charge	0
162236685	Mono_Isotopic_Weight	13.06234
53960	Mono_Isotopic_Weight	296.1655411
99564	Molecular_Weight	137.18
8002585	TPSA	58.6
11565240	XLogP3-AA	1.2
81668	Hydrogen_Bond_Donor_Count	1
129629392	Total_Formal_Charge	0
101694728	Mono_Isotopic_Weight	450.01256932
8216	Hydrogen_Bond_Acceptor_Count	2
3372845	Hydrogen_Bond_Donor_Count	1
3067270	Structure_Complexity	343
144404363	TPSA	46.3
13194811	Rotatable_Bond_Count	3
8086	Hydrogen_Bond_Acceptor_Count	3
23662354	Hydrogen_Bond_Acceptor_Count	4
11917	Isotope_Atom_Count	0
2759255	Rotatable_Bond_Count	4
15559460	Rotatable_Bond_Count	4
11908386	Defined_Atom_Stereo_Count	10
449293	Isotope_Atom_Count	0
4961823	Isotope_Atom_Count	0
25244520	Defined_Bond_Stereo_Count	0
31000	Molecular_Weight	277.23
12536263	TPSA	67.2
135564654	Structure_Complexity	1110
316722	Exact_Mass	112.088815002
54758035	Exact_Mass	490.20386201
10240789	Hydrogen_Bond_Acceptor_Count	1
21865526	Mono_Isotopic_Weight	414.20423867
9549213	Tautomer_Count	3
253298	Undefined_Atom_Stereo_Count	1
135564773	Rotatable_Bond_Count	3
17827145	Non-hydrogen_Atom_Count	7
4472	Undefined_Bond_Stereo_Count	0
44368	Covalent_Unit_Count	1
10205	Rotatable_Bond_Count	0
5009	Hydrogen_Bond_Donor_Count	1
962	Structure_Complexity	0
31639	Non-hydrogen_Atom_Count	14
23003869	Rotatable_Bond_Count	1
18467387	Hydrogen_Bond_Donor_Count	2
44119608	Undefined_Atom_Stereo_Count	0
33255	Defined_Bond_Stereo_Count	0
19764725	Covalent_Unit_Count	1
14340	Exact_Mass	196.07355886
38853	Undefined_Bond_Stereo_Count	0
54475034	Undefined_Bond_Stereo_Count	0
107970	Undefined_Atom_Stereo_Count	0
68869	Covalent_Unit_Count	1
7531	Hydrogen_Bond_Acceptor_Count	1
23199087	Covalent_Unit_Count	1
11240433	Mono_Isotopic_Weight	96.068748264
20644244	Defined_Bond_Stereo_Count	0
3155	Hydrogen_Bond_Acceptor_Count	2
122767	Structure_Complexity	354
95978	Undefined_Atom_Stereo_Count	0
3085023	Molecular_Weight	114.15
688669	Covalent_Unit_Count	1
83322	Molecular_Weight	392.2
2826	Rotatable_Bond_Count	5
185588	Rotatable_Bond_Count	3
10407	Exact_Mass	204.187800766
4683	Undefined_Bond_Stereo_Count	0
2987927	Mono_Isotopic_Weight	292.08816355
70684298	Defined_Atom_Stereo_Count	0
2801745	Undefined_Atom_Stereo_Count	0
70697627	Undefined_Atom_Stereo_Count	0
7515	Rotatable_Bond_Count	1
55113	Structure_Complexity	300
129860447	Structure_Complexity	42.8
104794	Isotope_Atom_Count	0
1512518	Rotatable_Bond_Count	0
52939724	Exact_Mass	480.15239891
23678874	Undefined_Bond_Stereo_Count	0
656838	Defined_Atom_Stereo_Count	0
16211656	Rotatable_Bond_Count	0
130124661	Structure_Complexity	79.3
16683028	Structure_Complexity	509
3257	Undefined_Bond_Stereo_Count	0
5464190	Structure_Complexity	869
73353803	Defined_Atom_Stereo_Count	1
123512955	Hydrogen_Bond_Donor_Count	1
382975	Undefined_Atom_Stereo_Count	1
12664537	Hydrogen_Bond_Acceptor_Count	4
5289613	Tautomer_Count	6
11687	Exact_Mass	346.21440943
551778	TPSA	51.2
7524	Undefined_Bond_Stereo_Count	0
117791208	Exact_Mass	102.079312947
91168430	Hydrogen_Bond_Acceptor_Count	2
69925	Mono_Isotopic_Weight	276.097041664
630227	Covalent_Unit_Count	1
13104807	Rotatable_Bond_Count	2
11661758	Non-hydrogen_Atom_Count	27
26117	XLogP3	1.2
58618968	Undefined_Bond_Stereo_Count	1
73553786	Defined_Atom_Stereo_Count	0
96865	Hydrogen_Bond_Acceptor_Count	1
162081	Total_Formal_Charge	0
409642	Mono_Isotopic_Weight	198.02114662
53364498	Defined_Bond_Stereo_Count	0
24768019	Undefined_Atom_Stereo_Count	0
181978	Exact_Mass	378.13734088
6917655	XLogP3-AA	4
25054	Defined_Bond_Stereo_Count	0
67338	Isotope_Atom_Count	0
73386890	Defined_Atom_Stereo_Count	0
12660241	TPSA	37.4
135398679	Structure_Complexity	250
108054	XLogP3-AA	1.2
22678982	Structure_Complexity	365
3034424	Undefined_Bond_Stereo_Count	0
137071	Tautomer_Count	2
12285870	Total_Formal_Charge	0
61553086	Exact_Mass	118.099379685
191468	Non-hydrogen_Atom_Count	8
192004	Covalent_Unit_Count	3
139584807	Hydrogen_Bond_Donor_Count	1
31677	Hydrogen_Bond_Acceptor_Count	2
9949648	Undefined_Atom_Stereo_Count	0
5280608	Total_Formal_Charge	0
5280489	Defined_Atom_Stereo_Count	0
13440628	Mono_Isotopic_Weight	115.063328530
20323899	Total_Formal_Charge	0
14543958	Covalent_Unit_Count	1
87863	Non-hydrogen_Atom_Count	23
24066	Hydrogen_Bond_Donor_Count	2
59761113	Isotope_Atom_Count	0
80434	Undefined_Atom_Stereo_Count	0
43493	Undefined_Bond_Stereo_Count	1
10833571	Non-hydrogen_Atom_Count	28
19883347	Defined_Atom_Stereo_Count	0
8053	Structure_Complexity	63.4
54580795	Defined_Atom_Stereo_Count	0
214321	Total_Formal_Charge	0
61329	Rotatable_Bond_Count	3
253186	Undefined_Atom_Stereo_Count	0
46883935	Total_Formal_Charge	0
6363	Total_Formal_Charge	0
9798	XLogP3-AA	8
6369059	Defined_Atom_Stereo_Count	0
35330	Hydrogen_Bond_Acceptor_Count	6
53835276	Covalent_Unit_Count	1
701186	Isotope_Atom_Count	0
16682935	Defined_Atom_Stereo_Count	0
53174	Non-hydrogen_Atom_Count	20
53846421	Molecular_Weight	416.6
12294	Undefined_Bond_Stereo_Count	0
11528337	XLogP3-AA	0.7
22833502	Hydrogen_Bond_Acceptor_Count	2
4337	Rotatable_Bond_Count	14
74777	Total_Formal_Charge	0
5281065	Tautomer_Count	1
22203	Defined_Bond_Stereo_Count	0
3410	TPSA	90.8
49808	Undefined_Bond_Stereo_Count	0
3444	Hydrogen_Bond_Donor_Count	0
30199	Tautomer_Count	2
84647603	Defined_Bond_Stereo_Count	0
5284447	Non-hydrogen_Atom_Count	47
12124007	Molecular_Weight	113.11
11115	Exact_Mass	236.152477885
98559	Total_Formal_Charge	0
123134537	Exact_Mass	898.1762920
760	Non-hydrogen_Atom_Count	5
5586	Rotatable_Bond_Count	3
92938	Defined_Bond_Stereo_Count	0
132781234	TPSA	297
70693538	Exact_Mass	438.1955211
68321915	Isotope_Atom_Count	0
832	Covalent_Unit_Count	1
91411367	Defined_Atom_Stereo_Count	0
8644	Exact_Mass	405.19163936
22386380	Molecular_Weight	121.10
10643403	Non-hydrogen_Atom_Count	25
8082	Tautomer_Count	1
119584	Non-hydrogen_Atom_Count	29
725300	TPSA	98.8
67247849	Undefined_Bond_Stereo_Count	0
446113	Total_Formal_Charge	0
839611	XLogP3-AA	2.9
66704467	Covalent_Unit_Count	1
64000	Mono_Isotopic_Weight	439.11366728
14200416	Defined_Atom_Stereo_Count	0
24891700	Undefined_Atom_Stereo_Count	0
6433586	Hydrogen_Bond_Acceptor_Count	20
18338555	Molecular_Weight	126.18
27430	Mono_Isotopic_Weight	359.1652068
59295968	Exact_Mass	487.1674122
77996	Hydrogen_Bond_Acceptor_Count	3
80599	Hydrogen_Bond_Acceptor_Count	1
4048	Total_Formal_Charge	0
54568416	Covalent_Unit_Count	1
87877	Isotope_Atom_Count	0
153270	Exact_Mass	523.20669828
24855	Covalent_Unit_Count	1
8364	Exact_Mass	250.15689456
70499	Exact_Mass	143.131014166
5743396	Defined_Bond_Stereo_Count	0
11477652	Defined_Atom_Stereo_Count	0
143184805	Defined_Atom_Stereo_Count	0
23677323	Defined_Atom_Stereo_Count	0
9549326	Covalent_Unit_Count	1
89053264	Rotatable_Bond_Count	1
12116	Structure_Complexity	193
84081255	Covalent_Unit_Count	1
168971	XLogP3-AA	1.1
8507	Covalent_Unit_Count	2
96309	Non-hydrogen_Atom_Count	14
164877	Covalent_Unit_Count	1
928367	XLogP3-AA	1.4
19633	Tautomer_Count	3
57484	Undefined_Atom_Stereo_Count	0
69949	TPSA	34.1
73425158	Exact_Mass	111.068413911
42239	Undefined_Atom_Stereo_Count	0
17142	Exact_Mass	297.09608521
156417	Total_Formal_Charge	0
23724526	TPSA	46.5
8098	Mono_Isotopic_Weight	234.11033829
518924	Undefined_Bond_Stereo_Count	0
145454105	TPSA	193
7499	Non-hydrogen_Atom_Count	8
14362	Isotope_Atom_Count	0
6918332	Hydrogen_Bond_Donor_Count	5
194519	Hydrogen_Bond_Donor_Count	0
139593411	Non-hydrogen_Atom_Count	140
185792	Exact_Mass	121.971284
10746	Hydrogen_Bond_Acceptor_Count	3
11346811	Non-hydrogen_Atom_Count	19
32131	Hydrogen_Bond_Donor_Count	3
7656	Rotatable_Bond_Count	4
439456	Hydrogen_Bond_Donor_Count	9
184821	Tautomer_Count	2
54242173	Defined_Atom_Stereo_Count	0
146887978	Undefined_Atom_Stereo_Count	1
10746	Exact_Mass	485.91889
44309990	Structure_Complexity	431
5069	Defined_Bond_Stereo_Count	0
57869404	Mono_Isotopic_Weight	114.104465066
22157549	Mono_Isotopic_Weight	389.0711249
21621538	Rotatable_Bond_Count	2
57459334	Molecular_Weight	104.15
5283741	Structure_Complexity	688
6441068	Hydrogen_Bond_Donor_Count	0
54368096	Non-hydrogen_Atom_Count	7
114853	Exact_Mass	139.90545
54915	Hydrogen_Bond_Acceptor_Count	7
593411	Isotope_Atom_Count	0
292659	Defined_Bond_Stereo_Count	0
517273	Isotope_Atom_Count	0
134854766	Total_Formal_Charge	0
10962	Exact_Mass	183.97490
6602480	Non-hydrogen_Atom_Count	40
6409	Structure_Complexity	38.5
62477	Exact_Mass	130.099379685
16399351	Isotope_Atom_Count	0
137185902	Total_Formal_Charge	0
3727	Covalent_Unit_Count	1
544629	Isotope_Atom_Count	0
21255244	Hydrogen_Bond_Acceptor_Count	3
158691271	Hydrogen_Bond_Acceptor_Count	3
3489	Total_Formal_Charge	0
23338788	Isotope_Atom_Count	0
93234	Defined_Bond_Stereo_Count	0
166548151	Hydrogen_Bond_Acceptor_Count	1
441302	Defined_Atom_Stereo_Count	7
71905	Isotope_Atom_Count	0
32743	Exact_Mass	86.036779430
12387212	Total_Formal_Charge	0
70691270	Covalent_Unit_Count	1
575408	Undefined_Bond_Stereo_Count	0
67125	Molecular_Weight	282.34
734215	Mono_Isotopic_Weight	321.0323340
57514685	Hydrogen_Bond_Donor_Count	4
13601826	Defined_Bond_Stereo_Count	0
15950086	Undefined_Bond_Stereo_Count	0
801471	Undefined_Atom_Stereo_Count	0
54360	Molecular_Weight	418.4
154342062	Total_Formal_Charge	0
10572530	TPSA	91.8
59168911	XLogP3-AA	0.6
75024	Mono_Isotopic_Weight	118.062994177
54690315	Hydrogen_Bond_Acceptor_Count	4
57291121	Total_Formal_Charge	0
107926	Undefined_Bond_Stereo_Count	0
53323739	XLogP3-AA	2.4
165542	Isotope_Atom_Count	0
9007	Undefined_Bond_Stereo_Count	0
141336344	Isotope_Atom_Count	0
6947	Non-hydrogen_Atom_Count	10
21997268	Undefined_Bond_Stereo_Count	0
60153262	Mono_Isotopic_Weight	406.07042274
87100666	Defined_Bond_Stereo_Count	0
55276371	Defined_Bond_Stereo_Count	0
7475	XLogP3	1.4
5824382	Isotope_Atom_Count	0
9595290	Undefined_Bond_Stereo_Count	0
23588	Undefined_Atom_Stereo_Count	0
17992	Undefined_Atom_Stereo_Count	0
89904392	Total_Formal_Charge	0
133687818	TPSA	245
23403	Molecular_Weight	294.5
12202	Rotatable_Bond_Count	6
21306607	TPSA	12
46841787	Molecular_Weight	531.9
444215	Isotope_Atom_Count	0
75460	Defined_Bond_Stereo_Count	0
9018	TPSA	20.2
5470	XLogP3-AA	2.4
200638	Total_Formal_Charge	0
11360614	Covalent_Unit_Count	1
3048339	Rotatable_Bond_Count	0
664136	Hydrogen_Bond_Acceptor_Count	5
91583	Rotatable_Bond_Count	5
93052	Hydrogen_Bond_Donor_Count	0
10102	Rotatable_Bond_Count	0
139055434	Defined_Bond_Stereo_Count	0
24358	Isotope_Atom_Count	0
9793696	Hydrogen_Bond_Acceptor_Count	2
6509753	Total_Formal_Charge	0
44324020	Exact_Mass	284.16237386
57780614	Defined_Bond_Stereo_Count	0
42174	Defined_Atom_Stereo_Count	0
156076150	Undefined_Bond_Stereo_Count	0
164333	XLogP3-AA	1
13194811	Hydrogen_Bond_Acceptor_Count	3
15208461	Undefined_Bond_Stereo_Count	0
545831	Covalent_Unit_Count	1
787	Defined_Bond_Stereo_Count	0
5355026	Defined_Atom_Stereo_Count	0
788	TPSA	382
2733525	Covalent_Unit_Count	2
22491624	Undefined_Atom_Stereo_Count	0
20439251	Undefined_Atom_Stereo_Count	1
362	Total_Formal_Charge	0
78284	Defined_Bond_Stereo_Count	0
22341858	Hydrogen_Bond_Donor_Count	2
7839	XLogP3	2
10824	Undefined_Bond_Stereo_Count	0
44352968	Undefined_Bond_Stereo_Count	0
21540	Molecular_Weight	183.21
90973	Molecular_Weight	328.9
248961	Molecular_Weight	98.15
134479	Molecular_Weight	141.21
100933147	Defined_Atom_Stereo_Count	20
5330472	Exact_Mass	365.13755610
123286573	Rotatable_Bond_Count	3
141	Defined_Bond_Stereo_Count	0
10133	Structure_Complexity	605
88226977	Non-hydrogen_Atom_Count	8
52988031	Rotatable_Bond_Count	0
11636326	Undefined_Bond_Stereo_Count	0
54601877	Defined_Atom_Stereo_Count	0
98790	Defined_Bond_Stereo_Count	0
444020	Defined_Bond_Stereo_Count	0
6409631	Isotope_Atom_Count	0
129848458	Total_Formal_Charge	0
23462	Undefined_Bond_Stereo_Count	0
92135969	Molecular_Weight	555.7
92303	TPSA	6.5
91408078	Isotope_Atom_Count	0
5289247	Undefined_Bond_Stereo_Count	0
445750	Undefined_Atom_Stereo_Count	0
59481545	Total_Formal_Charge	0
439846	Molecular_Weight	76.09
131752860	Hydrogen_Bond_Acceptor_Count	1
139348436	Isotope_Atom_Count	0
6917959	Rotatable_Bond_Count	5
11715166	Undefined_Atom_Stereo_Count	0
136808	Mono_Isotopic_Weight	182.109550447
49865785	Rotatable_Bond_Count	5
21670825	TPSA	0
19778654	Undefined_Atom_Stereo_Count	0
439051	Non-hydrogen_Atom_Count	18
5276614	TPSA	38.7
66558858	Hydrogen_Bond_Donor_Count	2
35455	Exact_Mass	320.152477885
123542468	Defined_Atom_Stereo_Count	0
118701498	Rotatable_Bond_Count	0
7059454	Rotatable_Bond_Count	5
72207931	Undefined_Atom_Stereo_Count	1
4806	XLogP3	1.1
12310714	Defined_Atom_Stereo_Count	2
92233	TPSA	53.3
3872	Isotope_Atom_Count	0
22833489	Hydrogen_Bond_Donor_Count	0
67374621	Undefined_Atom_Stereo_Count	0
58460047	Undefined_Bond_Stereo_Count	0
70255	Defined_Bond_Stereo_Count	0
24949245	XLogP3-AA	3.8
98043897	Structure_Complexity	688
1969	Structure_Complexity	248
446915	Defined_Atom_Stereo_Count	0
12302695	Hydrogen_Bond_Acceptor_Count	11
132282518	Rotatable_Bond_Count	22
105427022	Molecular_Weight	114.10
138059757	Defined_Atom_Stereo_Count	8
4659387	Hydrogen_Bond_Donor_Count	2
5488548	Hydrogen_Bond_Donor_Count	3
97389	Hydrogen_Bond_Donor_Count	1
5359541	Isotope_Atom_Count	0
92028754	Exact_Mass	69.9665510
135402009	Molecular_Weight	473.4
141289	Rotatable_Bond_Count	3
637584	Isotope_Atom_Count	0
11638363	TPSA	58.7
53262279	Undefined_Bond_Stereo_Count	0
99129	Hydrogen_Bond_Donor_Count	0
456214	Covalent_Unit_Count	1
91713	Non-hydrogen_Atom_Count	37
68198	Structure_Complexity	429
23982	Rotatable_Bond_Count	0
447043	Mono_Isotopic_Weight	748.50852574
544596	Total_Formal_Charge	0
127053480	Total_Formal_Charge	0
284950	Covalent_Unit_Count	1
91399	Exact_Mass	460.30111643
398739	Non-hydrogen_Atom_Count	19
6429113	TPSA	30.2
55653	Molecular_Weight	263.16
21679450	Molecular_Weight	107.11
9849616	Hydrogen_Bond_Acceptor_Count	3
80009	Mono_Isotopic_Weight	99.104799419
56777521	Rotatable_Bond_Count	1
4629	Covalent_Unit_Count	1
48409	Hydrogen_Bond_Donor_Count	1
164511668	Mono_Isotopic_Weight	230.02355192
11173546	Covalent_Unit_Count	1
17997105	Defined_Atom_Stereo_Count	0
5281417	Exact_Mass	340.07943208
51358375	XLogP3-AA	4
69589310	Defined_Atom_Stereo_Count	0
11729	Structure_Complexity	61.8
86088606	Exact_Mass	112.052429494
339455	Structure_Complexity	542
44392124	Structure_Complexity	620
146935695	Hydrogen_Bond_Donor_Count	0
9809002	Non-hydrogen_Atom_Count	44
118797621	Rotatable_Bond_Count	1
6521	Defined_Bond_Stereo_Count	0
57662	Covalent_Unit_Count	1
441130	Mono_Isotopic_Weight	383.15149208
21703153	Hydrogen_Bond_Donor_Count	1
22416599	Rotatable_Bond_Count	0
447482	Non-hydrogen_Atom_Count	24
14454	XLogP3-AA	1.6
23916	Undefined_Bond_Stereo_Count	1
7073	XLogP3	1.4
23377620	Isotope_Atom_Count	0
15766	Covalent_Unit_Count	1
85828788	Undefined_Atom_Stereo_Count	0
12435	Defined_Bond_Stereo_Count	0
19589	Tautomer_Count	1
6733	Isotope_Atom_Count	0
2761815	Hydrogen_Bond_Acceptor_Count	3
9910975	Isotope_Atom_Count	0
641294	Exact_Mass	162.068079557
99456	Rotatable_Bond_Count	0
38876	Structure_Complexity	233
3062	Mono_Isotopic_Weight	780.42960671
13997619	Structure_Complexity	79.8
1712094	TPSA	47.9
10447660	XLogP3-AA	2.8
9777579	Non-hydrogen_Atom_Count	30
171409	Hydrogen_Bond_Acceptor_Count	12
153373905	Hydrogen_Bond_Donor_Count	0
63939	Undefined_Atom_Stereo_Count	0
8560	Undefined_Bond_Stereo_Count	0
153196846	Hydrogen_Bond_Acceptor_Count	1
2075	Undefined_Bond_Stereo_Count	0
452110	Undefined_Atom_Stereo_Count	0
40146	Rotatable_Bond_Count	3
6432709	XLogP3-AA	3.9
57397970	Mono_Isotopic_Weight	510.19706254
7571	Isotope_Atom_Count	0
66137	Isotope_Atom_Count	0
69033681	Rotatable_Bond_Count	1
60613	Hydrogen_Bond_Acceptor_Count	6
53710320	Defined_Atom_Stereo_Count	0
133109195	Structure_Complexity	1150
132541087	Molecular_Weight	260.33
34757	Hydrogen_Bond_Donor_Count	1
24012	Isotope_Atom_Count	0
13382623	Non-hydrogen_Atom_Count	8
2604	Covalent_Unit_Count	1
162059	Molecular_Weight	214.5
2085	XLogP3	3.2
24450	Non-hydrogen_Atom_Count	7
58265153	Molecular_Weight	180.16
68081	Mono_Isotopic_Weight	270.08920892
53698003	Rotatable_Bond_Count	0
54548956	Defined_Bond_Stereo_Count	0
44352909	Undefined_Bond_Stereo_Count	0
20678	Isotope_Atom_Count	0
99435	TPSA	81
53865481	Defined_Bond_Stereo_Count	0
7982	Undefined_Atom_Stereo_Count	0
123212370	Defined_Bond_Stereo_Count	0
23680156	Defined_Atom_Stereo_Count	0
6973628	Hydrogen_Bond_Donor_Count	0
79691	Non-hydrogen_Atom_Count	13
24807614	Defined_Bond_Stereo_Count	9
69021	Defined_Bond_Stereo_Count	0
78874	Isotope_Atom_Count	0
12507028	Defined_Bond_Stereo_Count	0
12757	Hydrogen_Bond_Donor_Count	0
69370	Isotope_Atom_Count	0
20699949	Hydrogen_Bond_Donor_Count	2
900090	Defined_Bond_Stereo_Count	0
11617559	Total_Formal_Charge	0
71782	Undefined_Bond_Stereo_Count	2
11804674	TPSA	17.1
89082395	Covalent_Unit_Count	1
8757	Hydrogen_Bond_Donor_Count	0
25058186	Molecular_Weight	448.5
517121	Structure_Complexity	225
5814	Rotatable_Bond_Count	2
3262020	Mono_Isotopic_Weight	135.01159025
23557886	Covalent_Unit_Count	1
141168949	XLogP3-AA	0.7
8186	Isotope_Atom_Count	0
21331354	Defined_Bond_Stereo_Count	0
102106219	Non-hydrogen_Atom_Count	11
34695	Exact_Mass	106.078250319
448043	Exact_Mass	319.13544809
28037	Undefined_Atom_Stereo_Count	0
1078	Exact_Mass	355.15523479
57461922	Hydrogen_Bond_Acceptor_Count	2
6919026	Defined_Atom_Stereo_Count	1
72146	Exact_Mass	253.07726451
439811	Defined_Atom_Stereo_Count	0
154734173	TPSA	55.4
445794	Molecular_Weight	559.32
25042	Isotope_Atom_Count	0
70687387	Isotope_Atom_Count	0
51921894	Non-hydrogen_Atom_Count	23
5242420	Undefined_Bond_Stereo_Count	0
14708	Mono_Isotopic_Weight	330.230728204
71165	Tautomer_Count	2
61393223	XLogP3-AA	0.8
9938420	Undefined_Bond_Stereo_Count	0
12268623	Covalent_Unit_Count	1
24866867	Rotatable_Bond_Count	7
10334852	Exact_Mass	298.09872823
18008584	Exact_Mass	99.104799419
87279974	Structure_Complexity	96
3956708	Covalent_Unit_Count	1
16028	Defined_Atom_Stereo_Count	0
439210	Exact_Mass	211.953380
16213640	Non-hydrogen_Atom_Count	12
66711	Exact_Mass	238.134422523
23695850	Rotatable_Bond_Count	6
594510	Exact_Mass	349.0861010
96066	Total_Formal_Charge	0
398737	Molecular_Weight	284.40
43226	Covalent_Unit_Count	1
7741	Mono_Isotopic_Weight	111.079647300
64432	Total_Formal_Charge	0
75284	Defined_Bond_Stereo_Count	0
42552713	Total_Formal_Charge	0
49769064	Total_Formal_Charge	0
2752648	Isotope_Atom_Count	0
90202	Tautomer_Count	1
105426930	Undefined_Atom_Stereo_Count	3
320263	Defined_Atom_Stereo_Count	0
89423	Exact_Mass	124.052429494
4986139	Mono_Isotopic_Weight	412.9658767
2812	Structure_Complexity	396
54132691	Undefined_Bond_Stereo_Count	0
27387	Non-hydrogen_Atom_Count	21
92374	Undefined_Bond_Stereo_Count	0
13214	Mono_Isotopic_Weight	161.00888727
51041	XLogP3	6.6
741	Total_Formal_Charge	0
22091090	Undefined_Bond_Stereo_Count	0
12057264	Non-hydrogen_Atom_Count	5
67782142	Covalent_Unit_Count	1
79014	Defined_Bond_Stereo_Count	0
14728565	Non-hydrogen_Atom_Count	15
18628727	Covalent_Unit_Count	1
22502	Defined_Atom_Stereo_Count	3
23677992	Structure_Complexity	932
2381	Defined_Atom_Stereo_Count	0
39421	Undefined_Atom_Stereo_Count	10
21889252	TPSA	46.5
71452498	Molecular_Weight	535.5
67704	Tautomer_Count	2
13437377	Exact_Mass	110.084398327
90996	Structure_Complexity	316
4399042	Hydrogen_Bond_Acceptor_Count	2
63116	Non-hydrogen_Atom_Count	21
2826	Tautomer_Count	1
71458236	Total_Formal_Charge	0
154515463	Hydrogen_Bond_Donor_Count	1
84063981	Mono_Isotopic_Weight	111.068413911
73921	Undefined_Atom_Stereo_Count	0
2757950	TPSA	61.1
984396	Isotope_Atom_Count	0
46783763	Tautomer_Count	2
24873435	Isotope_Atom_Count	0
53970191	Molecular_Weight	112.17
11051686	Isotope_Atom_Count	0
71225	Undefined_Atom_Stereo_Count	1
96201	Undefined_Atom_Stereo_Count	0
518605	Molecular_Weight	395.68
136346	Mono_Isotopic_Weight	166.099379685
642156	Undefined_Bond_Stereo_Count	0
20055408	Defined_Bond_Stereo_Count	0
32154	Defined_Bond_Stereo_Count	0
164034646	Hydrogen_Bond_Donor_Count	1
17875436	Isotope_Atom_Count	0
66087	Structure_Complexity	102
156080	Undefined_Bond_Stereo_Count	0
5381	Tautomer_Count	1
6419957	Hydrogen_Bond_Donor_Count	30
135398745	XLogP3-AA	2.9
40430269	Exact_Mass	345.18143228
156582420	TPSA	87
9584	Tautomer_Count	1
6093170	Hydrogen_Bond_Donor_Count	0
12598074	Non-hydrogen_Atom_Count	14
6432903	Mono_Isotopic_Weight	204.115029749
9834129	Undefined_Atom_Stereo_Count	1
89651175	Defined_Atom_Stereo_Count	0
92187	Hydrogen_Bond_Acceptor_Count	3
79919	Total_Formal_Charge	0
89456730	Hydrogen_Bond_Acceptor_Count	2
656804	Tautomer_Count	40
165412951	Covalent_Unit_Count	1
127403	Hydrogen_Bond_Acceptor_Count	3
96891	Defined_Atom_Stereo_Count	0
129858712	Isotope_Atom_Count	0
87251056	Defined_Atom_Stereo_Count	0
13314	Non-hydrogen_Atom_Count	22
232326	Undefined_Atom_Stereo_Count	0
57928403	Structure_Complexity	525
90654313	Undefined_Atom_Stereo_Count	0
126456023	Undefined_Bond_Stereo_Count	0
13027933	Undefined_Bond_Stereo_Count	0
54732122	Undefined_Bond_Stereo_Count	0
66263	Hydrogen_Bond_Donor_Count	1
5365125	Rotatable_Bond_Count	16
16388	Isotope_Atom_Count	0
15690	Structure_Complexity	110
71435	Covalent_Unit_Count	3
11440685	TPSA	103
157820065	XLogP3-AA	2.5
41893	Undefined_Bond_Stereo_Count	0
13682918	Structure_Complexity	95.7
20782688	Rotatable_Bond_Count	3
8336	Undefined_Atom_Stereo_Count	0
16212880	Defined_Bond_Stereo_Count	0
14849721	Non-hydrogen_Atom_Count	8
10866664	Molecular_Weight	164.16
68316758	Non-hydrogen_Atom_Count	8
12393928	Hydrogen_Bond_Acceptor_Count	3
47455	Non-hydrogen_Atom_Count	21
71296969	Covalent_Unit_Count	2
157787142	Defined_Bond_Stereo_Count	0
75460	Total_Formal_Charge	0
120269	Isotope_Atom_Count	0
7879	Rotatable_Bond_Count	34
10890	Structure_Complexity	99.7
208838	Covalent_Unit_Count	1
22643	TPSA	35.1
349713	Exact_Mass	114.068079557
14892	TPSA	40
11935	Isotope_Atom_Count	0
72221005	Molecular_Weight	95.10
566735	Molecular_Weight	98.10
250096	Isotope_Atom_Count	0
21466713	TPSA	60.2
99963	Covalent_Unit_Count	1
88211	Molecular_Weight	92.16
11585872	Exact_Mass	261.06122053
129848667	Defined_Atom_Stereo_Count	0
86691500	Undefined_Bond_Stereo_Count	0
50163	Defined_Bond_Stereo_Count	0
2752588	Defined_Bond_Stereo_Count	0
114831	Non-hydrogen_Atom_Count	12
91202	Covalent_Unit_Count	1
9793926	Structure_Complexity	151
4168142	Isotope_Atom_Count	0
13809010	Defined_Atom_Stereo_Count	0
64588	XLogP3-AA	1.9
23629960	Hydrogen_Bond_Donor_Count	2
67782238	Defined_Bond_Stereo_Count	0
96269	Hydrogen_Bond_Donor_Count	0
124905	Total_Formal_Charge	0
447227	Molecular_Weight	276.35
131634907	Molecular_Weight	2083.9
38101	Structure_Complexity	261
34755	Defined_Atom_Stereo_Count	5
49862574	Rotatable_Bond_Count	7
102115685	Structure_Complexity	102
6409841	Isotope_Atom_Count	0
6327514	TPSA	35.5
79535	Molecular_Weight	232.36
123558404	Rotatable_Bond_Count	1
37419	Defined_Atom_Stereo_Count	0
92839	Exact_Mass	152.083729621
75982	Structure_Complexity	28.9
27124	Defined_Atom_Stereo_Count	0
26049	Mono_Isotopic_Weight	136.125200510
637892	Covalent_Unit_Count	1
176077	Structure_Complexity	132
219025	Structure_Complexity	800
9917021	Isotope_Atom_Count	0
89274700	Structure_Complexity	110
3016390	Tautomer_Count	1
3363	Defined_Bond_Stereo_Count	0
63985	Hydrogen_Bond_Donor_Count	1
96509	Total_Formal_Charge	0
24916843	Non-hydrogen_Atom_Count	47
23689317	Rotatable_Bond_Count	3
2800612	Defined_Atom_Stereo_Count	0
550925	Defined_Atom_Stereo_Count	0
31170	Defined_Bond_Stereo_Count	0
37274	Molecular_Weight	325.79
83703	Rotatable_Bond_Count	0
10267079	Undefined_Bond_Stereo_Count	0
20838642	Mono_Isotopic_Weight	391.0741989
136255	XLogP3-AA	3
9812534	Hydrogen_Bond_Donor_Count	4
53846420	Hydrogen_Bond_Acceptor_Count	3
53877022	Hydrogen_Bond_Donor_Count	0
87201	Mono_Isotopic_Weight	223.12084340
42884	Hydrogen_Bond_Donor_Count	0
2190	Undefined_Bond_Stereo_Count	0
85538	Hydrogen_Bond_Donor_Count	2
46231556	Covalent_Unit_Count	1
12537312	Mono_Isotopic_Weight	110.073164938
159778730	Molecular_Weight	284.35
155434	Molecular_Weight	400.5
53316417	Hydrogen_Bond_Acceptor_Count	11
96316	TPSA	40.5
53317194	Hydrogen_Bond_Donor_Count	2
88402	Defined_Atom_Stereo_Count	0
10404073	Hydrogen_Bond_Acceptor_Count	3
456161	Covalent_Unit_Count	1
163284948	Hydrogen_Bond_Acceptor_Count	19
82167	Undefined_Bond_Stereo_Count	0
164164617	Hydrogen_Bond_Donor_Count	3
17816	Total_Formal_Charge	0
118701745	Structure_Complexity	1440
126994353	Isotope_Atom_Count	0
6603759	Structure_Complexity	380
21991095	Undefined_Bond_Stereo_Count	0
9535	Defined_Bond_Stereo_Count	0
2987927	Non-hydrogen_Atom_Count	20
12021	Undefined_Atom_Stereo_Count	0
144702	Total_Formal_Charge	0
71358911	Hydrogen_Bond_Donor_Count	0
118210311	Exact_Mass	110.011627311
354785	Total_Formal_Charge	0
24705318	Undefined_Atom_Stereo_Count	0
812042	Rotatable_Bond_Count	5
445750	Isotope_Atom_Count	0
9911830	Mono_Isotopic_Weight	454.1043974
87279497	Hydrogen_Bond_Donor_Count	4
61511	Hydrogen_Bond_Donor_Count	0
80884	Hydrogen_Bond_Donor_Count	7
56678998	TPSA	89.4
135492	Undefined_Bond_Stereo_Count	0
138137	Defined_Bond_Stereo_Count	0
81097	Mono_Isotopic_Weight	173.0243562
446570	Hydrogen_Bond_Donor_Count	3
155649598	TPSA	34
20725980	Covalent_Unit_Count	1
5484	Undefined_Atom_Stereo_Count	0
260809	Hydrogen_Bond_Acceptor_Count	3
51397006	Non-hydrogen_Atom_Count	26
13331108	Defined_Atom_Stereo_Count	0
317677	Structure_Complexity	74.6
11388294	TPSA	26.3
7327	Isotope_Atom_Count	0
118978207	Hydrogen_Bond_Acceptor_Count	1
53708930	Structure_Complexity	87.7
89737	Undefined_Bond_Stereo_Count	0
520366	TPSA	0
443003	TPSA	60.8
3057	Undefined_Atom_Stereo_Count	9
6324103	Rotatable_Bond_Count	3
3083714	Rotatable_Bond_Count	23
534012	Isotope_Atom_Count	0
60942	Defined_Bond_Stereo_Count	0
76189844	Structure_Complexity	724
9236	Isotope_Atom_Count	0
9929785	Hydrogen_Bond_Acceptor_Count	3
67374621	Isotope_Atom_Count	0
23029	TPSA	0
3344847	Mono_Isotopic_Weight	429.05049494
70693267	Exact_Mass	529.1629153
6259976	Tautomer_Count	3
11974215	Exact_Mass	511.22309724
18636	Structure_Complexity	354
21721015	Rotatable_Bond_Count	0
493662	Isotope_Atom_Count	0
97758	Hydrogen_Bond_Acceptor_Count	1
969152	Hydrogen_Bond_Donor_Count	1
145945090	TPSA	467
11668187	Exact_Mass	387.16952493
443239	Covalent_Unit_Count	1
78960	Structure_Complexity	103
72941990	Mono_Isotopic_Weight	390.0625864
10785	Molecular_Weight	114.14
79961	Structure_Complexity	59.7
105035	Tautomer_Count	5
117933221	Rotatable_Bond_Count	0
436542	Mono_Isotopic_Weight	207.104799419
10233356	Mono_Isotopic_Weight	657.19428341
5328940	Non-hydrogen_Atom_Count	36
466959	Undefined_Atom_Stereo_Count	0
141053308	Mono_Isotopic_Weight	100.052429494
129654479	TPSA	29.6
15278234	Defined_Bond_Stereo_Count	0
442866	Structure_Complexity	338
4452	Hydrogen_Bond_Donor_Count	2
133556498	Mono_Isotopic_Weight	620.23163518
91333	TPSA	60.8
71448984	Undefined_Bond_Stereo_Count	0
71713793	Hydrogen_Bond_Acceptor_Count	4
90488771	Structure_Complexity	755
9909392	Non-hydrogen_Atom_Count	29
12561666	Rotatable_Bond_Count	0
15655	Molecular_Weight	86.09
25185057	Mono_Isotopic_Weight	507.30184471
15301081	Undefined_Bond_Stereo_Count	0
4943	Isotope_Atom_Count	0
69393	Total_Formal_Charge	0
24875318	Rotatable_Bond_Count	6
70590037	Non-hydrogen_Atom_Count	37
92406	Non-hydrogen_Atom_Count	20
6957610	Molecular_Weight	294.4
141849	Undefined_Bond_Stereo_Count	0
84421	Covalent_Unit_Count	1
3356829	Total_Formal_Charge	0
439368	Mono_Isotopic_Weight	130.062994177
82755	Defined_Bond_Stereo_Count	0
80274	Isotope_Atom_Count	0
444170	Structure_Complexity	1130
26546	Non-hydrogen_Atom_Count	24
22320	Structure_Complexity	64.6
233085	Non-hydrogen_Atom_Count	25
850873	Defined_Atom_Stereo_Count	0
2758223	Rotatable_Bond_Count	0
688451	Isotope_Atom_Count	0
154361546	Molecular_Weight	101.15
10930	Defined_Bond_Stereo_Count	0
118010650	Undefined_Bond_Stereo_Count	0
10455790	Mono_Isotopic_Weight	438.14920402
3983	Undefined_Bond_Stereo_Count	0
6450830	Total_Formal_Charge	0
72121	Mono_Isotopic_Weight	308.17494466
168131	Exact_Mass	251.154823615
5282546	XLogP3-AA	4.9
91763	Undefined_Bond_Stereo_Count	0
70689387	Covalent_Unit_Count	1
11759286	Structure_Complexity	421
15442	Covalent_Unit_Count	1
23581798	Non-hydrogen_Atom_Count	24
61741273	Total_Formal_Charge	0
22271690	Undefined_Bond_Stereo_Count	0
736351	Defined_Atom_Stereo_Count	0
75091	Structure_Complexity	160
81423	Structure_Complexity	126
19905962	Undefined_Bond_Stereo_Count	0
146461	Hydrogen_Bond_Donor_Count	1
5281698	TPSA	116
54582513	TPSA	23.5
89759530	Defined_Bond_Stereo_Count	0
636367	Mono_Isotopic_Weight	193.05863707
57609	Non-hydrogen_Atom_Count	28
998	Isotope_Atom_Count	0
56886	Molecular_Weight	275.3
534552	Non-hydrogen_Atom_Count	16
11637983	Total_Formal_Charge	0
225564	Hydrogen_Bond_Acceptor_Count	1
12218316	Molecular_Weight	287.4
13459667	Exact_Mass	99.104799419
12866541	Defined_Atom_Stereo_Count	0
50360	Exact_Mass	213.078978594
9818287	Covalent_Unit_Count	1
51381	Exact_Mass	152.083729621
5657	Covalent_Unit_Count	1
139001	Tautomer_Count	2
58938020	Structure_Complexity	63.1
60152109	Rotatable_Bond_Count	7
5486194	Undefined_Atom_Stereo_Count	0
61594	XLogP3-AA	4.2
13187	Rotatable_Bond_Count	6
12774278	Total_Formal_Charge	0
56663315	XLogP3-AA	3.7
17754178	Molecular_Weight	160.28
348669	Hydrogen_Bond_Acceptor_Count	6
130993429	Total_Formal_Charge	0
85500	Non-hydrogen_Atom_Count	26
9568613	Structure_Complexity	453
520148	Hydrogen_Bond_Acceptor_Count	2
25058200	Tautomer_Count	1
118451841	Rotatable_Bond_Count	0
31297	Molecular_Weight	114.55
4627807	Mono_Isotopic_Weight	115.099714038
139637653	TPSA	40.5
274426	Rotatable_Bond_Count	0
108675	TPSA	0
2596914	Mono_Isotopic_Weight	372.11437830
14417	Non-hydrogen_Atom_Count	26
2398	Exact_Mass	384.15862589
19540	Rotatable_Bond_Count	4
44303980	Exact_Mass	408.28757437
22753607	Structure_Complexity	139
7435	Defined_Atom_Stereo_Count	0
72378	Hydrogen_Bond_Acceptor_Count	5
90165975	Undefined_Bond_Stereo_Count	0
15266968	Tautomer_Count	1
736188	Non-hydrogen_Atom_Count	20
15577855	Hydrogen_Bond_Donor_Count	0
14281426	Mono_Isotopic_Weight	118.062994177
13611188	XLogP3-AA	2
5970	Hydrogen_Bond_Donor_Count	2
135413497	Mono_Isotopic_Weight	264.98507
159296	Molecular_Weight	427.20
134008	Hydrogen_Bond_Acceptor_Count	6
68109743	TPSA	112
3325	Hydrogen_Bond_Donor_Count	4
11543746	Hydrogen_Bond_Donor_Count	1
20087060	Hydrogen_Bond_Acceptor_Count	3
135854412	Covalent_Unit_Count	1
44443939	Defined_Bond_Stereo_Count	0
135446965	Defined_Bond_Stereo_Count	0
136893	Covalent_Unit_Count	1
86609	Tautomer_Count	1
189914	Total_Formal_Charge	0
212	Non-hydrogen_Atom_Count	24
1102	Structure_Complexity	56.8
11366953	Hydrogen_Bond_Acceptor_Count	0
77756	Structure_Complexity	179
9952884	Mono_Isotopic_Weight	401.11577528
22574	Mono_Isotopic_Weight	232.99940812
6422843	Undefined_Atom_Stereo_Count	0
10534635	Structure_Complexity	98.3
6026790	Exact_Mass	594.52232533
121489349	Molecular_Weight	2013.3
16081932	Covalent_Unit_Count	1
16376	Hydrogen_Bond_Donor_Count	1
6435335	Hydrogen_Bond_Donor_Count	5
145287	Non-hydrogen_Atom_Count	7
86153841	Structure_Complexity	128
64658	Structure_Complexity	387
803776	Isotope_Atom_Count	0
156519226	Exact_Mass	110.073164938
62930	Total_Formal_Charge	0
319701	Structure_Complexity	743
145705672	Exact_Mass	490.36582469
165880629	Mono_Isotopic_Weight	110.048012819
86821	TPSA	20.2
69402	XLogP3-AA	1.4
31823	XLogP3-AA	5.5
29773	Undefined_Bond_Stereo_Count	1
11775	Isotope_Atom_Count	0
71476	Undefined_Bond_Stereo_Count	0
4571	Non-hydrogen_Atom_Count	29
16134408	Non-hydrogen_Atom_Count	140
71759	Defined_Atom_Stereo_Count	0
16656	Exact_Mass	128.156500638
42540	Non-hydrogen_Atom_Count	20
36688207	Hydrogen_Bond_Acceptor_Count	2
1932	Defined_Atom_Stereo_Count	0
17239	Covalent_Unit_Count	1
20590622	Hydrogen_Bond_Donor_Count	1
96350	Tautomer_Count	1
44258737	Defined_Bond_Stereo_Count	0
17697	Structure_Complexity	131
53678373	Undefined_Bond_Stereo_Count	0
14222	Molecular_Weight	185.35
351917	Covalent_Unit_Count	1
6590	Mono_Isotopic_Weight	88.052429494
21249654	Defined_Atom_Stereo_Count	0
10390369	Covalent_Unit_Count	1
88344183	Defined_Atom_Stereo_Count	0
11405	XLogP3	1.9
94180	XLogP3-AA	2
227927	Undefined_Bond_Stereo_Count	0
5352621	Exact_Mass	277.183049738
779179	Undefined_Atom_Stereo_Count	0
68663	Rotatable_Bond_Count	5
14689526	Structure_Complexity	130
6437358	Non-hydrogen_Atom_Count	45
66969	Non-hydrogen_Atom_Count	8
80265	TPSA	18.5
5092	Non-hydrogen_Atom_Count	20
12046	Covalent_Unit_Count	1
110968	Rotatable_Bond_Count	5
322	Hydrogen_Bond_Acceptor_Count	3
637668	Undefined_Bond_Stereo_Count	0
104977	Total_Formal_Charge	0
98174	Total_Formal_Charge	0
1941	Non-hydrogen_Atom_Count	26
57038995	Exact_Mass	96.057514874
115	Mono_Isotopic_Weight	229.03513872
89364481	Non-hydrogen_Atom_Count	8
9912092	Exact_Mass	460.13042228
3763454	Undefined_Atom_Stereo_Count	1
12160932	Total_Formal_Charge	0
146158371	Total_Formal_Charge	0
21242473	Total_Formal_Charge	0
5281411	Rotatable_Bond_Count	2
2218	Undefined_Atom_Stereo_Count	0
71829	Mono_Isotopic_Weight	382.1037253
25199580	TPSA	76.6
16661549	Total_Formal_Charge	0
17751002	Isotope_Atom_Count	0
44864	Defined_Atom_Stereo_Count	0
6857474	Undefined_Bond_Stereo_Count	0
132274080	XLogP3	4.2
6009	TPSA	26.8
52950901	Defined_Bond_Stereo_Count	0
9843028	Isotope_Atom_Count	0
7106	Undefined_Atom_Stereo_Count	0
70752	Rotatable_Bond_Count	1
31218	Structure_Complexity	370
120737	Hydrogen_Bond_Donor_Count	1
157882	Isotope_Atom_Count	0
12933420	Mono_Isotopic_Weight	83.048347172
7987	Hydrogen_Bond_Acceptor_Count	6
35372055	Defined_Bond_Stereo_Count	0
115235	Covalent_Unit_Count	2
10407120	Total_Formal_Charge	0
66909	Hydrogen_Bond_Acceptor_Count	4
9808998	Mono_Isotopic_Weight	608.17545772
9934458	Structure_Complexity	612
21075	Isotope_Atom_Count	0
46199646	Molecular_Weight	520.5
20220679	Molecular_Weight	114.14
9778	TPSA	0
16659681	Undefined_Bond_Stereo_Count	0
174076	Isotope_Atom_Count	0
44134800	Exact_Mass	306.0627584
106824140	Hydrogen_Bond_Acceptor_Count	3
14337609	Hydrogen_Bond_Donor_Count	0
76449347	Defined_Atom_Stereo_Count	0
14230	Molecular_Weight	115.17
9339	Defined_Bond_Stereo_Count	0
72370	XLogP3-AA	5.7
15706803	Isotope_Atom_Count	0
14449398	Exact_Mass	116.01860440
91805	Total_Formal_Charge	0
44263854	Hydrogen_Bond_Acceptor_Count	8
18545678	Non-hydrogen_Atom_Count	7
12310749	Exact_Mass	398.354866087
21492261	Defined_Atom_Stereo_Count	0
724045	Hydrogen_Bond_Acceptor_Count	4
6000	TPSA	80.6
17847	Defined_Atom_Stereo_Count	0
712078	Hydrogen_Bond_Acceptor_Count	4
10329124	Hydrogen_Bond_Acceptor_Count	23
110862	Defined_Bond_Stereo_Count	0
69967	Covalent_Unit_Count	1
3025721	Exact_Mass	222.079312947
377	Exact_Mass	547.19474967
22061626	Non-hydrogen_Atom_Count	8
10295295	Mono_Isotopic_Weight	414.230728204
16656889	Covalent_Unit_Count	1
142966	Molecular_Weight	68.07
2735122	Molecular_Weight	84.116
448265	Rotatable_Bond_Count	0
68689	Defined_Atom_Stereo_Count	0
10460376	Structure_Complexity	1060
75931	Exact_Mass	400.287849157
97414	TPSA	103
177336	Defined_Bond_Stereo_Count	0
59772	Molecular_Weight	413.5
56972736	Isotope_Atom_Count	0
736331	Mono_Isotopic_Weight	221.10519334
129407	Molecular_Weight	501.8
16769	Rotatable_Bond_Count	5
4323	Defined_Bond_Stereo_Count	0
23713879	Undefined_Atom_Stereo_Count	0
337121	Defined_Bond_Stereo_Count	0
1490119	Defined_Bond_Stereo_Count	0
3054	Rotatable_Bond_Count	4
102429819	Defined_Bond_Stereo_Count	0
17921988	Exact_Mass	114.031694049
13378967	Total_Formal_Charge	0
2044	XLogP3-AA	4
15166013	Non-hydrogen_Atom_Count	8
10200813	Total_Formal_Charge	0
6102820	Undefined_Atom_Stereo_Count	0
58270057	Isotope_Atom_Count	0
156391	XLogP3	3.3
862	Exact_Mass	1404.85396239
11809740	Hydrogen_Bond_Donor_Count	0
9570639	Covalent_Unit_Count	1
1611	TPSA	191
307976	Non-hydrogen_Atom_Count	8
7111	Tautomer_Count	1
9465	Exact_Mass	183.06955672
70688017	Isotope_Atom_Count	0
8022	Defined_Atom_Stereo_Count	0
23667628	Hydrogen_Bond_Donor_Count	1
101445	Undefined_Atom_Stereo_Count	0
53481477	Mono_Isotopic_Weight	350.20932405
81364	Defined_Bond_Stereo_Count	0
70695634	Structure_Complexity	574
1712	Defined_Bond_Stereo_Count	0
30143	Mono_Isotopic_Weight	250.00847
5361462	Mono_Isotopic_Weight	489.976916
10953454	Hydrogen_Bond_Donor_Count	0
124921376	Non-hydrogen_Atom_Count	47
134694358	Isotope_Atom_Count	0
14532580	Covalent_Unit_Count	1
5017	Total_Formal_Charge	0
7093	XLogP3	3.4
10221890	Defined_Atom_Stereo_Count	0
125461707	Undefined_Bond_Stereo_Count	0
137655	TPSA	0
452110	Isotope_Atom_Count	0
6454774	Total_Formal_Charge	0
435459	Undefined_Atom_Stereo_Count	6
87096	Undefined_Atom_Stereo_Count	0
73952881	Structure_Complexity	516
71072034	XLogP3-AA	3.8
5281616	Total_Formal_Charge	0
9834591	Exact_Mass	235.01505818
12367843	Exact_Mass	108.093900383
13428	Exact_Mass	260.873189
9571109	Exact_Mass	395.068258
3731	Defined_Bond_Stereo_Count	0
443210	Undefined_Bond_Stereo_Count	0
845588	Defined_Bond_Stereo_Count	0
122669	Tautomer_Count	1
54247939	Molecular_Weight	111.14
1522	Undefined_Bond_Stereo_Count	0
448837	Defined_Atom_Stereo_Count	8
46780441	Molecular_Weight	180.16
8515	Isotope_Atom_Count	0
5282350	Defined_Bond_Stereo_Count	2
122433	Total_Formal_Charge	0
10399	Covalent_Unit_Count	1
45266826	XLogP3-AA	2
2308	XLogP3	2.2
164610	Total_Formal_Charge	0
6092	Non-hydrogen_Atom_Count	14
637796	Defined_Bond_Stereo_Count	1
70694813	Isotope_Atom_Count	0
52905	Covalent_Unit_Count	2
11681509	Covalent_Unit_Count	1
34461	TPSA	67.6
89418505	Undefined_Bond_Stereo_Count	0
151205	Defined_Atom_Stereo_Count	1
13205839	Isotope_Atom_Count	0
72518	Undefined_Bond_Stereo_Count	0
126636957	TPSA	279
16685262	Total_Formal_Charge	0
74859	Undefined_Atom_Stereo_Count	0
60822	Isotope_Atom_Count	0
57179768	Undefined_Atom_Stereo_Count	0
54095609	Undefined_Bond_Stereo_Count	0
3034372	Structure_Complexity	106
8857	XLogP3	0.7
3342768	Defined_Atom_Stereo_Count	0
20062980	XLogP3-AA	0.8
196604	Defined_Bond_Stereo_Count	0
18692	TPSA	40.5
53935056	Exact_Mass	102.115698455
7048523	Covalent_Unit_Count	1
5353760	Hydrogen_Bond_Donor_Count	1
11351021	Defined_Bond_Stereo_Count	0
9953590	Mono_Isotopic_Weight	414.20423867
2795	Total_Formal_Charge	0
15191343	Hydrogen_Bond_Donor_Count	2
159832	Structure_Complexity	0
4216	Defined_Atom_Stereo_Count	0
671761	Molecular_Weight	265.21
119307	Undefined_Bond_Stereo_Count	0
13427979	Non-hydrogen_Atom_Count	8
4110	XLogP3-AA	4.7
4676	Total_Formal_Charge	0
7269	Structure_Complexity	80.6
10273	Rotatable_Bond_Count	2
9923162	XLogP3-AA	2.3
53796209	Exact_Mass	102.068079557
101995634	Exact_Mass	460.20971797
54419	Structure_Complexity	291
903168	Mono_Isotopic_Weight	329.0059467
5487426	Rotatable_Bond_Count	5
5460308	Defined_Bond_Stereo_Count	0
3081387	Hydrogen_Bond_Acceptor_Count	18
141516912	Defined_Bond_Stereo_Count	0
79577129	TPSA	46.5
74685	Covalent_Unit_Count	1
10021510	Covalent_Unit_Count	1
162883452	Non-hydrogen_Atom_Count	36
12383661	Defined_Atom_Stereo_Count	0
68120	Hydrogen_Bond_Acceptor_Count	2
75082	Non-hydrogen_Atom_Count	6
1548898	Rotatable_Bond_Count	1
57392965	Hydrogen_Bond_Acceptor_Count	7
5460135	Undefined_Bond_Stereo_Count	0
219077	TPSA	43.9
160796	Hydrogen_Bond_Donor_Count	2
47765	Molecular_Weight	312.39
5050	Total_Formal_Charge	0
551778	Total_Formal_Charge	0
154132	TPSA	58.2
105970	Mono_Isotopic_Weight	245.98342370
86856	Tautomer_Count	1
18342355	Total_Formal_Charge	0
7473	Undefined_Bond_Stereo_Count	0
314282	Exact_Mass	268.146329876
253762	Molecular_Weight	100.12
3449165	Hydrogen_Bond_Acceptor_Count	5
140066	Isotope_Atom_Count	0
93147	Undefined_Atom_Stereo_Count	0
129852452	Covalent_Unit_Count	1
53388310	Structure_Complexity	559
4451	Molecular_Weight	567.8
7940	Isotope_Atom_Count	0
3206	Undefined_Bond_Stereo_Count	0
68600	Defined_Atom_Stereo_Count	2
439240	Defined_Atom_Stereo_Count	3
90997437	Structure_Complexity	688
10339178	Isotope_Atom_Count	0
104838	Undefined_Atom_Stereo_Count	0
1560	Total_Formal_Charge	0
10413	Non-hydrogen_Atom_Count	7
537329	Undefined_Atom_Stereo_Count	1
129661122	Non-hydrogen_Atom_Count	10
168623	Exact_Mass	365.2121570
23103	Undefined_Atom_Stereo_Count	0
43216	TPSA	41.5
349252	Total_Formal_Charge	0
47297	Non-hydrogen_Atom_Count	19
11566	Mono_Isotopic_Weight	114.104465066
13214	Hydrogen_Bond_Donor_Count	0
42037	Undefined_Bond_Stereo_Count	0
4611851	Hydrogen_Bond_Acceptor_Count	2
135887831	Covalent_Unit_Count	1
54107	Defined_Bond_Stereo_Count	0
13247016	Structure_Complexity	44.8
12290023	Total_Formal_Charge	0
70991	Molecular_Weight	180.20
9530	Molecular_Weight	204.24
44190553	Structure_Complexity	341
14909248	Hydrogen_Bond_Acceptor_Count	1
47660	Non-hydrogen_Atom_Count	24
19469	Isotope_Atom_Count	0
6016	Hydrogen_Bond_Acceptor_Count	2
53678561	Undefined_Atom_Stereo_Count	0
136880	Structure_Complexity	47.6
4390	Defined_Atom_Stereo_Count	0
21832123	Structure_Complexity	30.1
142123799	Defined_Bond_Stereo_Count	0
2733749	Undefined_Atom_Stereo_Count	0
7311	Structure_Complexity	206
3337411	Structure_Complexity	454
20739	Molecular_Weight	142.24
67075765	Undefined_Bond_Stereo_Count	0
18999713	Defined_Bond_Stereo_Count	0
2914	Total_Formal_Charge	0
66908762	XLogP3-AA	1.7
522636	Non-hydrogen_Atom_Count	25
57397762	Mono_Isotopic_Weight	482.21403277
9964078	Rotatable_Bond_Count	1
628370	Defined_Atom_Stereo_Count	0
6999016	Tautomer_Count	1
55399	Rotatable_Bond_Count	21
11289	Structure_Complexity	442
135539077	Covalent_Unit_Count	1
519971	Molecular_Weight	109.13
90657410	Molecular_Weight	620.7
25657	Hydrogen_Bond_Acceptor_Count	1
17151	Undefined_Bond_Stereo_Count	0
146157141	TPSA	23.5
138961	Hydrogen_Bond_Donor_Count	0
6419725	Molecular_Weight	536.9
129849	Hydrogen_Bond_Donor_Count	1
10430619	Undefined_Bond_Stereo_Count	0
162918376	Hydrogen_Bond_Donor_Count	5
20141332	Hydrogen_Bond_Donor_Count	1
11040682	Non-hydrogen_Atom_Count	8
135508048	Covalent_Unit_Count	1
9955534	Hydrogen_Bond_Donor_Count	2
534918	Molecular_Weight	110.20
70040	Defined_Bond_Stereo_Count	0
824336	Rotatable_Bond_Count	5
7902	Hydrogen_Bond_Acceptor_Count	2
53477778	Structure_Complexity	847
58270057	Undefined_Bond_Stereo_Count	0
87479093	Total_Formal_Charge	0
58806257	Mono_Isotopic_Weight	114.104465066
13473	Non-hydrogen_Atom_Count	22
110	Exact_Mass	151.97794440
78960	Hydrogen_Bond_Acceptor_Count	1
42608159	Undefined_Atom_Stereo_Count	1
72429	Defined_Atom_Stereo_Count	3
3081349	TPSA	121
443376	Rotatable_Bond_Count	24
4855	XLogP3	1.3
65872	Hydrogen_Bond_Donor_Count	1
24414	Undefined_Atom_Stereo_Count	0
216235	Undefined_Atom_Stereo_Count	0
5360237	Hydrogen_Bond_Acceptor_Count	19
457035	Exact_Mass	309.11650692
62374	Structure_Complexity	246
23665037	Structure_Complexity	426
73415816	Rotatable_Bond_Count	6
88705879	Covalent_Unit_Count	1
22591684	Covalent_Unit_Count	1
2842	Undefined_Atom_Stereo_Count	5
8054	Hydrogen_Bond_Acceptor_Count	3
442461	Covalent_Unit_Count	1
275903	Hydrogen_Bond_Donor_Count	0
439517	Tautomer_Count	2
58544	TPSA	33.6
3146673	Exact_Mass	249.126597491
135084	Rotatable_Bond_Count	9
329	Hydrogen_Bond_Donor_Count	4
87825887	Molecular_Weight	107.11
68100796	Undefined_Bond_Stereo_Count	0
71587201	Undefined_Bond_Stereo_Count	0
54686183	Mono_Isotopic_Weight	1024.3123164
79798	Undefined_Atom_Stereo_Count	0
18601660	Hydrogen_Bond_Donor_Count	5
16653	Non-hydrogen_Atom_Count	12
6604122	Exact_Mass	376.16343649
89143843	Covalent_Unit_Count	1
44345665	Covalent_Unit_Count	1
66666	Exact_Mass	130.078250319
82738	Non-hydrogen_Atom_Count	49
10775424	Exact_Mass	222.198365449
9051	Mono_Isotopic_Weight	312.208930132
65327	Non-hydrogen_Atom_Count	21
49765077	Mono_Isotopic_Weight	356.15584919
7785	Covalent_Unit_Count	1
60208760	Defined_Bond_Stereo_Count	0
51585	Mono_Isotopic_Weight	224.08710092
453915	Hydrogen_Bond_Donor_Count	0
92943	Covalent_Unit_Count	1
69215	Hydrogen_Bond_Donor_Count	0
153772784	Non-hydrogen_Atom_Count	8
5625	Defined_Bond_Stereo_Count	0
14146878	Rotatable_Bond_Count	0
3357	Molecular_Weight	369.34
6437877	Undefined_Bond_Stereo_Count	0
92187	Rotatable_Bond_Count	1
13563	TPSA	3.2
123935	Exact_Mass	217.10625597
3088	Hydrogen_Bond_Donor_Count	1
443874	Defined_Atom_Stereo_Count	3
93738	Hydrogen_Bond_Donor_Count	0
15940571	Hydrogen_Bond_Donor_Count	2
13194811	Hydrogen_Bond_Donor_Count	0
135423095	Non-hydrogen_Atom_Count	28
135398595	Hydrogen_Bond_Acceptor_Count	12
9318	Molecular_Weight	405.1
66827	Molecular_Weight	121.93
13007516	Covalent_Unit_Count	1
21359	Isotope_Atom_Count	0
59421472	Undefined_Bond_Stereo_Count	0
44119602	Molecular_Weight	108.10
24901416	XLogP3-AA	3.4
23581798	Undefined_Bond_Stereo_Count	0
37049	Molecular_Weight	342.5
71586929	Mono_Isotopic_Weight	281.990079
136592	Defined_Bond_Stereo_Count	0
141233	Hydrogen_Bond_Acceptor_Count	0
9931156	Exact_Mass	406.14411864
6950274	Undefined_Atom_Stereo_Count	0
6918331	Defined_Bond_Stereo_Count	0
10159630	Mono_Isotopic_Weight	428.15835111
101148	XLogP3	1.8
84759	Non-hydrogen_Atom_Count	11
10231705	Defined_Atom_Stereo_Count	0
6918140	TPSA	87
21079839	Total_Formal_Charge	0
9482	Defined_Atom_Stereo_Count	0
632910	Defined_Atom_Stereo_Count	0
51987	Exact_Mass	274.98071
136142	Covalent_Unit_Count	1
70691405	Undefined_Atom_Stereo_Count	4
10032582	Non-hydrogen_Atom_Count	49
258618	Defined_Bond_Stereo_Count	0
15930578	Isotope_Atom_Count	0
6957673	Molecular_Weight	404.4
96563	Hydrogen_Bond_Acceptor_Count	8
32966	Defined_Atom_Stereo_Count	0
84647703	Hydrogen_Bond_Donor_Count	2
73707427	Hydrogen_Bond_Donor_Count	3
17892	XLogP3-AA	4.6
66624275	Covalent_Unit_Count	1
15741339	Covalent_Unit_Count	1
87474167	Defined_Bond_Stereo_Count	0
16750094	Defined_Bond_Stereo_Count	0
165075	Hydrogen_Bond_Acceptor_Count	7
65404	Rotatable_Bond_Count	7
5284347	Exact_Mass	205.0658271
11072675	Hydrogen_Bond_Acceptor_Count	1
44134800	Covalent_Unit_Count	5
94495	Undefined_Bond_Stereo_Count	0
870	Non-hydrogen_Atom_Count	45
455579	Undefined_Atom_Stereo_Count	0
4743	Undefined_Atom_Stereo_Count	7
80230	Hydrogen_Bond_Acceptor_Count	3
2142	TPSA	332
137018	XLogP3-AA	1.5
448123	Covalent_Unit_Count	1
5484	Isotope_Atom_Count	0
216468	XLogP3-AA	1.8
53340666	Defined_Atom_Stereo_Count	0
5284613	Undefined_Bond_Stereo_Count	0
20531563	Defined_Atom_Stereo_Count	0
149026	Total_Formal_Charge	0
11973	Structure_Complexity	543
5463858	Hydrogen_Bond_Acceptor_Count	5
16097729	Non-hydrogen_Atom_Count	38
46783782	Non-hydrogen_Atom_Count	57
4037	Undefined_Bond_Stereo_Count	0
11610354	Isotope_Atom_Count	0
5284556	Mono_Isotopic_Weight	144.0341926
70689350	Undefined_Atom_Stereo_Count	1
11829369	Hydrogen_Bond_Acceptor_Count	1
11508600	Hydrogen_Bond_Donor_Count	3
519186	Tautomer_Count	1
73441	Tautomer_Count	10
126981343	Undefined_Bond_Stereo_Count	0
135027	Mono_Isotopic_Weight	297.209264485
176155	Molecular_Weight	377.4
71340855	Defined_Bond_Stereo_Count	0
10628031	Molecular_Weight	650.7
68510675	Non-hydrogen_Atom_Count	16
21798	Exact_Mass	270.10044231
22219016	Non-hydrogen_Atom_Count	35
57504473	Undefined_Atom_Stereo_Count	1
6456015	Hydrogen_Bond_Donor_Count	6
48838	Rotatable_Bond_Count	2
104926	Hydrogen_Bond_Acceptor_Count	5
208902	Defined_Atom_Stereo_Count	1
60196430	Hydrogen_Bond_Donor_Count	0
6620134	Structure_Complexity	702
3734	Molecular_Weight	777.1
1981	Defined_Bond_Stereo_Count	0
15457	Hydrogen_Bond_Donor_Count	0
11419776	Structure_Complexity	608
4560140	Defined_Atom_Stereo_Count	0
95913783	Non-hydrogen_Atom_Count	7
2155	Hydrogen_Bond_Donor_Count	1
1486	Exact_Mass	219.9693994
121392876	Covalent_Unit_Count	1
33353	Total_Formal_Charge	0
537148	Hydrogen_Bond_Donor_Count	0
5807	Exact_Mass	247.0975211
6607	Rotatable_Bond_Count	1
5283335	Defined_Atom_Stereo_Count	0
26989	Isotope_Atom_Count	0
96380	Mono_Isotopic_Weight	203.094628657
53232849	Structure_Complexity	96.3
24848345	Isotope_Atom_Count	0
3000506	Defined_Atom_Stereo_Count	2
92020576	Covalent_Unit_Count	1
147059143	Total_Formal_Charge	0
68396	Rotatable_Bond_Count	0
129722163	Covalent_Unit_Count	3
9097	XLogP3-AA	5.8
25008940	Defined_Atom_Stereo_Count	2
71572	Tautomer_Count	2
656838	Hydrogen_Bond_Donor_Count	5
65844	Rotatable_Bond_Count	1
71007	Rotatable_Bond_Count	1
23362267	Non-hydrogen_Atom_Count	8
1236	Non-hydrogen_Atom_Count	45
35912	Defined_Bond_Stereo_Count	0
14027329	Undefined_Bond_Stereo_Count	0
170317	Non-hydrogen_Atom_Count	23
11178958	Undefined_Bond_Stereo_Count	0
18635	Exact_Mass	104.02958605
21466942	Hydrogen_Bond_Acceptor_Count	3
22378	Covalent_Unit_Count	2
2764838	Undefined_Bond_Stereo_Count	0
497380	Structure_Complexity	639
62737	Non-hydrogen_Atom_Count	28
12350	Total_Formal_Charge	0
81146	Exact_Mass	267.08954328
12590274	Exact_Mass	100.052429494
95767	Structure_Complexity	178
20062226	Defined_Bond_Stereo_Count	0
145307712	Mono_Isotopic_Weight	107.037113783
22260381	Hydrogen_Bond_Acceptor_Count	3
387316	Rotatable_Bond_Count	7
55287301	TPSA	12
11952498	Isotope_Atom_Count	0
6327109	Undefined_Atom_Stereo_Count	0
59047	Tautomer_Count	1
20483617	Molecular_Weight	110.16
54078821	Hydrogen_Bond_Acceptor_Count	2
35136	Total_Formal_Charge	0
15284	Exact_Mass	512.24101810
636908	Mono_Isotopic_Weight	338.06378202
12748956	Hydrogen_Bond_Acceptor_Count	2
9821	Undefined_Bond_Stereo_Count	0
14201285	TPSA	35.5
7061	XLogP3	3.3
5350	Total_Formal_Charge	0
595	Structure_Complexity	192
4964	Isotope_Atom_Count	0
118209567	Isotope_Atom_Count	0
97832	Defined_Atom_Stereo_Count	0
13181	Rotatable_Bond_Count	3
7851	Hydrogen_Bond_Acceptor_Count	1
5792	XLogP3	2.4
68081017	Total_Formal_Charge	0
11724027	Structure_Complexity	414
16732313	Rotatable_Bond_Count	2
1487118	Mono_Isotopic_Weight	348.05800624
44119664	Total_Formal_Charge	0
142912303	Hydrogen_Bond_Acceptor_Count	2
11957684	Isotope_Atom_Count	0
13379	Exact_Mass	142.172150702
80782	Molecular_Weight	171.62
11552706	Rotatable_Bond_Count	6
118023034	Tautomer_Count	1
20652765	XLogP3-AA	1.1
116047519	Total_Formal_Charge	0
62276	Total_Formal_Charge	0
46926544	Molecular_Weight	380.4
10976469	Hydrogen_Bond_Donor_Count	4
18965	Undefined_Bond_Stereo_Count	0
134688093	Exact_Mass	804.46599222
124426476	Total_Formal_Charge	0
77442653	Rotatable_Bond_Count	0
22057968	Defined_Atom_Stereo_Count	0
25114553	XLogP3-AA	2.4
397	Tautomer_Count	3
86062	Non-hydrogen_Atom_Count	7
8722	TPSA	72.7
66070288	Undefined_Bond_Stereo_Count	0
60936	TPSA	146
4475481	Exact_Mass	447.1228804
74739	XLogP3-AA	3.5
93896	XLogP3-AA	5.6
338733	Defined_Bond_Stereo_Count	0
57572416	TPSA	240
71449585	Structure_Complexity	611
13009	Total_Formal_Charge	0
19094	Isotope_Atom_Count	0
44211	Defined_Atom_Stereo_Count	0
56622517	Covalent_Unit_Count	1
21677822	Covalent_Unit_Count	1
96301	Defined_Bond_Stereo_Count	0
21769	Isotope_Atom_Count	0
8691	Isotope_Atom_Count	0
95380	Covalent_Unit_Count	1
16760595	Undefined_Bond_Stereo_Count	0
2723733	TPSA	200
101525	Total_Formal_Charge	0
4584	Non-hydrogen_Atom_Count	57
71810	Total_Formal_Charge	1
15072854	Molecular_Weight	113.16
61614676	TPSA	71.1
13898	Defined_Bond_Stereo_Count	0
66683197	Mono_Isotopic_Weight	325.15904043
101526	Structure_Complexity	727
20384488	Hydrogen_Bond_Acceptor_Count	1
60613	Covalent_Unit_Count	1
32048	Tautomer_Count	1
82325	Hydrogen_Bond_Acceptor_Count	8
5922	Structure_Complexity	108
834519	Rotatable_Bond_Count	6
14453671	Hydrogen_Bond_Acceptor_Count	1
11855	Isotope_Atom_Count	0
76038	Mono_Isotopic_Weight	394.40354761
57029485	XLogP3-AA	1.1
12443	Non-hydrogen_Atom_Count	15
20535601	Undefined_Atom_Stereo_Count	0
67482131	Non-hydrogen_Atom_Count	28
133561861	Hydrogen_Bond_Acceptor_Count	3
15748	XLogP3-AA	2.5
909750	Molecular_Weight	341.4
113	Exact_Mass	213.98785418
69536	Defined_Bond_Stereo_Count	0
27744	Molecular_Weight	451.9
824060	Covalent_Unit_Count	1
720213	Total_Formal_Charge	0
12868288	Undefined_Bond_Stereo_Count	0
638132	Undefined_Atom_Stereo_Count	0
25261	Non-hydrogen_Atom_Count	22
84072504	Mono_Isotopic_Weight	113.047678466
68940	Structure_Complexity	685
5370052	Exact_Mass	208.146329876
101417707	Covalent_Unit_Count	1
14435658	Defined_Bond_Stereo_Count	0
728672	Rotatable_Bond_Count	3
21843641	Undefined_Bond_Stereo_Count	0
12964226	Defined_Bond_Stereo_Count	0
5881176	Mono_Isotopic_Weight	1062.1330477
15001198	Hydrogen_Bond_Acceptor_Count	0
241	Non-hydrogen_Atom_Count	6
87998	Non-hydrogen_Atom_Count	15
19360868	Undefined_Atom_Stereo_Count	1
40652	Non-hydrogen_Atom_Count	25
53465	Tautomer_Count	1
53487898	Rotatable_Bond_Count	111
77117	Hydrogen_Bond_Acceptor_Count	3
5311243	Hydrogen_Bond_Donor_Count	3
12962854	Isotope_Atom_Count	0
93147	Isotope_Atom_Count	0
11136	Defined_Bond_Stereo_Count	0
18616052	Non-hydrogen_Atom_Count	8
7749	Molecular_Weight	102.13
54676715	Non-hydrogen_Atom_Count	18
23655	Non-hydrogen_Atom_Count	21
440959	Covalent_Unit_Count	1
61265	Exact_Mass	115.099714038
2762816	Undefined_Atom_Stereo_Count	0
900	Undefined_Bond_Stereo_Count	0
101598717	Covalent_Unit_Count	1
155903698	Covalent_Unit_Count	1
123888456	Defined_Atom_Stereo_Count	0
67645	Hydrogen_Bond_Donor_Count	0
123133951	Covalent_Unit_Count	1
19933060	Rotatable_Bond_Count	3
22636790	Undefined_Bond_Stereo_Count	0
6401	Tautomer_Count	1
65715	Hydrogen_Bond_Acceptor_Count	3
62240	Hydrogen_Bond_Acceptor_Count	2
10101269	Isotope_Atom_Count	0
89229710	Mono_Isotopic_Weight	113.058911855
64915	Isotope_Atom_Count	0
25271812	Hydrogen_Bond_Acceptor_Count	2
75690	Defined_Bond_Stereo_Count	0
65049734	Exact_Mass	112.088815002
44629654	TPSA	47.9
44320150	Covalent_Unit_Count	2
3080938	Tautomer_Count	1
8151	Exact_Mass	140.04081944
102428	Hydrogen_Bond_Acceptor_Count	4
125037258	Hydrogen_Bond_Donor_Count	8
3033992	Undefined_Atom_Stereo_Count	0
101375997	Hydrogen_Bond_Donor_Count	13
706	Hydrogen_Bond_Donor_Count	3
47553	XLogP3	1.4
11137085	Covalent_Unit_Count	2
22038	Defined_Atom_Stereo_Count	0
41211	Molecular_Weight	347.22
44558536	Structure_Complexity	387
18867	TPSA	48.1
21719780	XLogP3-AA	1
23688957	Rotatable_Bond_Count	1
19743370	Covalent_Unit_Count	1
6921800	Total_Formal_Charge	1
446801	Covalent_Unit_Count	1
68510675	Total_Formal_Charge	0
10346870	XLogP3-AA	3.3
62661	Tautomer_Count	1
138718771	Mono_Isotopic_Weight	100.100048391
917192	Covalent_Unit_Count	1
83904773	Undefined_Atom_Stereo_Count	3
5287851	Defined_Atom_Stereo_Count	2
668624	Total_Formal_Charge	0
5284543	TPSA	41.9
18530292	Undefined_Bond_Stereo_Count	0
102501728	Exact_Mass	477.16885622
59169	Hydrogen_Bond_Acceptor_Count	2
54475	Undefined_Bond_Stereo_Count	0
3661	Total_Formal_Charge	0
6476564	Hydrogen_Bond_Donor_Count	5
27642	Molecular_Weight	134.13
54677977	Hydrogen_Bond_Acceptor_Count	6
60165656	Undefined_Atom_Stereo_Count	0
3014084	Exact_Mass	99.032028402
5489410	Defined_Bond_Stereo_Count	1
44241743	Structure_Complexity	799
53346602	Isotope_Atom_Count	0
989384	Mono_Isotopic_Weight	408.13550766
11249342	XLogP3	2.3
154699876	Covalent_Unit_Count	1
4545429	Hydrogen_Bond_Acceptor_Count	2
71624686	Mono_Isotopic_Weight	386.0968101
5281764	Tautomer_Count	136
72187524	Defined_Bond_Stereo_Count	2
9949802	XLogP3-AA	4.8
71309927	Undefined_Bond_Stereo_Count	0
22162	Undefined_Atom_Stereo_Count	1
59295974	TPSA	133
71815	Rotatable_Bond_Count	2
44392087	Rotatable_Bond_Count	11
53847404	Total_Formal_Charge	0
31310	Molecular_Weight	692.8
56974851	TPSA	38.3
52195	XLogP3-AA	3
53394675	Rotatable_Bond_Count	1
8340	Hydrogen_Bond_Acceptor_Count	5
53322430	Defined_Bond_Stereo_Count	0
5282550	Undefined_Bond_Stereo_Count	0
54677946	Hydrogen_Bond_Donor_Count	1
94532	Undefined_Bond_Stereo_Count	0
14833	Covalent_Unit_Count	5
13568632	Isotope_Atom_Count	0
53903667	Structure_Complexity	93.2
10401	TPSA	26.3
44452442	TPSA	87.7
6366591	XLogP3-AA	1.7
89105	Undefined_Bond_Stereo_Count	0
55434	Undefined_Atom_Stereo_Count	1
20240	Exact_Mass	194.094294304
70608	Molecular_Weight	180.09
2763750	Undefined_Atom_Stereo_Count	0
68030	Tautomer_Count	1
75112	Isotope_Atom_Count	0
25162926	Covalent_Unit_Count	2
90750	Covalent_Unit_Count	1
133134	Molecular_Weight	554.6
501640	Defined_Bond_Stereo_Count	0
10975431	TPSA	20.2
5744	Undefined_Atom_Stereo_Count	0
1487118	Undefined_Atom_Stereo_Count	0
154354742	Undefined_Bond_Stereo_Count	0
54373	Undefined_Atom_Stereo_Count	8
101031992	Non-hydrogen_Atom_Count	8
5314562	TPSA	26.3
57358782	Total_Formal_Charge	0
23666830	Undefined_Atom_Stereo_Count	1
22024814	Isotope_Atom_Count	0
12102501	Hydrogen_Bond_Acceptor_Count	3
91664033	Defined_Atom_Stereo_Count	28
73921	Molecular_Weight	207.23
71782	Rotatable_Bond_Count	5
45120308	Defined_Bond_Stereo_Count	0
306917	Total_Formal_Charge	0
1241420	TPSA	66.4
10887844	Defined_Bond_Stereo_Count	0
23540330	Hydrogen_Bond_Donor_Count	1
12613538	Mono_Isotopic_Weight	177.090211983
11957517	Isotope_Atom_Count	0
18150	Defined_Atom_Stereo_Count	0
22406051	Defined_Atom_Stereo_Count	0
89555	Hydrogen_Bond_Donor_Count	0
32031	Structure_Complexity	165
76537	Hydrogen_Bond_Acceptor_Count	2
54077	Total_Formal_Charge	0
5336	Undefined_Bond_Stereo_Count	0
40279	Hydrogen_Bond_Acceptor_Count	4
65775	Hydrogen_Bond_Donor_Count	0
1479778	Exact_Mass	317.0641130
6451084	Rotatable_Bond_Count	14
104805	Hydrogen_Bond_Acceptor_Count	6
58647035	Covalent_Unit_Count	1
11631662	Rotatable_Bond_Count	5
3230	TPSA	74.6
2792	TPSA	77.5
2574	TPSA	83.8
4523766	Isotope_Atom_Count	0
20147457	Molecular_Weight	84.12
60790	Mono_Isotopic_Weight	384.16852187
129859783	Covalent_Unit_Count	1
14454747	Defined_Bond_Stereo_Count	0
87535084	Molecular_Weight	114.14
436543	Rotatable_Bond_Count	1
4741	TPSA	696
6371710	Isotope_Atom_Count	0
6262	Structure_Complexity	95
4786	Hydrogen_Bond_Donor_Count	2
58044734	Mono_Isotopic_Weight	99.068413911
67591	Covalent_Unit_Count	1
3718	Defined_Bond_Stereo_Count	0
689784	Molecular_Weight	325.27
9235	Tautomer_Count	1
18696583	Defined_Atom_Stereo_Count	0
4793	Defined_Atom_Stereo_Count	0
549138	Covalent_Unit_Count	1
12452021	Non-hydrogen_Atom_Count	8
68193	Structure_Complexity	261
5437	Total_Formal_Charge	0
64948	Exact_Mass	254.11676108
118014938	Exact_Mass	114.104465066
124844	Undefined_Bond_Stereo_Count	0
12333	Hydrogen_Bond_Donor_Count	0
15983810	Defined_Atom_Stereo_Count	0
10558	Undefined_Atom_Stereo_Count	0
1549062	Defined_Atom_Stereo_Count	0
12386877	Isotope_Atom_Count	0
11485	Hydrogen_Bond_Acceptor_Count	1
24855	Mono_Isotopic_Weight	261.81225
14236864	Defined_Bond_Stereo_Count	0
60877	Hydrogen_Bond_Acceptor_Count	5
277406	Isotope_Atom_Count	0
88043987	Undefined_Atom_Stereo_Count	3
71449988	Undefined_Bond_Stereo_Count	0
121290450	Mono_Isotopic_Weight	112.052429494
9524	Structure_Complexity	46.5
223	Undefined_Bond_Stereo_Count	0
57856017	Covalent_Unit_Count	1
12546498	Hydrogen_Bond_Donor_Count	0
69173085	Total_Formal_Charge	0
13725871	Undefined_Bond_Stereo_Count	0
21405	Total_Formal_Charge	0
10236005	Mono_Isotopic_Weight	129.042593085
160368576	Total_Formal_Charge	0
7073	Hydrogen_Bond_Donor_Count	2
213145	Undefined_Atom_Stereo_Count	0
97443	Undefined_Atom_Stereo_Count	0
7075	Total_Formal_Charge	0
13639781	Hydrogen_Bond_Donor_Count	0
164116	Covalent_Unit_Count	1
7779	Undefined_Atom_Stereo_Count	0
429342	Exact_Mass	253.99156
48654	Isotope_Atom_Count	0
357	Hydrogen_Bond_Acceptor_Count	0
16211286	Isotope_Atom_Count	0
91063960	Rotatable_Bond_Count	1
123470675	XLogP3-AA	3.1
53627718	Exact_Mass	109.089149355
21719953	Total_Formal_Charge	0
705672	Total_Formal_Charge	0
53297469	Rotatable_Bond_Count	4
4735	Exact_Mass	340.18992602
154825180	Undefined_Bond_Stereo_Count	0
11661758	Hydrogen_Bond_Donor_Count	4
559009	Exact_Mass	100.088815002
70689445	Molecular_Weight	446.3
44408641	Hydrogen_Bond_Donor_Count	2
12760725	Total_Formal_Charge	0
19709	TPSA	26
3365	Hydrogen_Bond_Acceptor_Count	7
18822	Undefined_Atom_Stereo_Count	0
57369411	Defined_Bond_Stereo_Count	0
63834	Structure_Complexity	608
147594753	Defined_Atom_Stereo_Count	0
8561	Isotope_Atom_Count	0
70701092	Hydrogen_Bond_Acceptor_Count	3
3032732	Undefined_Bond_Stereo_Count	0
16212950	Rotatable_Bond_Count	47
129317883	Undefined_Atom_Stereo_Count	1
89621	Total_Formal_Charge	0
9577221	Undefined_Atom_Stereo_Count	0
13293131	Exact_Mass	109.052763847
32742	Defined_Bond_Stereo_Count	0
11976122	Total_Formal_Charge	0
70103	Rotatable_Bond_Count	0
2843	Total_Formal_Charge	0
23533306	Structure_Complexity	773
136657690	Hydrogen_Bond_Donor_Count	4
66586218	Defined_Atom_Stereo_Count	3
12729368	Undefined_Bond_Stereo_Count	0
4414	Hydrogen_Bond_Acceptor_Count	6
441467	Molecular_Weight	261.27
26898	Undefined_Bond_Stereo_Count	0
54175	Total_Formal_Charge	0
5329047	Total_Formal_Charge	0
16752772	Defined_Atom_Stereo_Count	0
59792626	Hydrogen_Bond_Donor_Count	0
9817381	Exact_Mass	287.20965841
50376	XLogP3-AA	4
23675786	Mono_Isotopic_Weight	509.0191061
28102	Exact_Mass	341.1757714
44321290	Mono_Isotopic_Weight	548.35151204
446355	Mono_Isotopic_Weight	209.06880783
22304	Structure_Complexity	308
1918	Defined_Atom_Stereo_Count	0
43961	Covalent_Unit_Count	1
24461	Hydrogen_Bond_Donor_Count	0
2762785	Molecular_Weight	113.09
15789	Hydrogen_Bond_Donor_Count	4
98086793	Structure_Complexity	418
7274	Tautomer_Count	1
142901	TPSA	17.1
940	Structure_Complexity	314
98043899	Exact_Mass	416.32904526
100165	Non-hydrogen_Atom_Count	7
10264356	Covalent_Unit_Count	1
117186636	Rotatable_Bond_Count	1
5054	Defined_Bond_Stereo_Count	0
15463	Undefined_Atom_Stereo_Count	0
180335	Molecular_Weight	351.9
1212	TPSA	118
95524	Undefined_Atom_Stereo_Count	1
7566942	Defined_Atom_Stereo_Count	10
11397521	TPSA	131
23663397	Molecular_Weight	541.6
686752	Undefined_Bond_Stereo_Count	0
66199435	Hydrogen_Bond_Donor_Count	1
643786	Defined_Bond_Stereo_Count	2
74652204	Mono_Isotopic_Weight	500.1734795
94306	Molecular_Weight	154.16
8434	TPSA	46.5
104838	Isotope_Atom_Count	0
91663255	Isotope_Atom_Count	0
20531373	TPSA	16.4
71395877	Isotope_Atom_Count	0
11462546	Hydrogen_Bond_Donor_Count	0
649217	XLogP3-AA	5
141672	Structure_Complexity	55.2
13265779	Undefined_Bond_Stereo_Count	0
9013	Defined_Atom_Stereo_Count	0
162918373	Exact_Mass	1201.84136802
5353646	Mono_Isotopic_Weight	230.0126017
34676237	Hydrogen_Bond_Donor_Count	1
34055	Defined_Atom_Stereo_Count	0
91393578	Rotatable_Bond_Count	0
121834	Molecular_Weight	308.35
154256	Tautomer_Count	15
140273	Molecular_Weight	113.16
132274082	TPSA	279
3658	Undefined_Atom_Stereo_Count	1
134692352	Hydrogen_Bond_Donor_Count	3
66615270	Undefined_Atom_Stereo_Count	0
170254	Isotope_Atom_Count	0
7096	Hydrogen_Bond_Donor_Count	1
16213640	Defined_Bond_Stereo_Count	0
307975	Hydrogen_Bond_Donor_Count	1
139190714	Exact_Mass	156.04225873
9616	Rotatable_Bond_Count	7
13401682	Non-hydrogen_Atom_Count	8
10457387	Undefined_Bond_Stereo_Count	0
54459901	Hydrogen_Bond_Acceptor_Count	2
53393586	Hydrogen_Bond_Acceptor_Count	16
1696	Exact_Mass	202.08278087
198236	Undefined_Atom_Stereo_Count	0
10757	Mono_Isotopic_Weight	154.0185425
29732	Structure_Complexity	462
53378550	Undefined_Atom_Stereo_Count	0
3047046	Mono_Isotopic_Weight	1438.56054879
656597	Mono_Isotopic_Weight	383.10961
57258462	Defined_Bond_Stereo_Count	0
17912027	Isotope_Atom_Count	0
64143	XLogP3-AA	5.7
8406	Non-hydrogen_Atom_Count	11
45934355	Structure_Complexity	457
156418	Hydrogen_Bond_Acceptor_Count	4
221145	Exact_Mass	100.052429494
4502	TPSA	270
25245437	Structure_Complexity	1280
129629387	Exact_Mass	342.11621151
159563	Exact_Mass	392.15968852
44323204	Structure_Complexity	1520
21566834	Rotatable_Bond_Count	1
3047803	Defined_Atom_Stereo_Count	2
16735967	Mono_Isotopic_Weight	508.27980365
135480785	Hydrogen_Bond_Donor_Count	7
9141	Total_Formal_Charge	0
81223	Defined_Atom_Stereo_Count	0
73166146	Non-hydrogen_Atom_Count	7
5281969	Molecular_Weight	347.5
19918	XLogP3-AA	2.3
642669	Total_Formal_Charge	0
4973027	Hydrogen_Bond_Acceptor_Count	2
16129672	Undefined_Bond_Stereo_Count	0
2865	Defined_Atom_Stereo_Count	0
44586473	Total_Formal_Charge	0
68180	Mono_Isotopic_Weight	150.00441
11019447	Undefined_Bond_Stereo_Count	0
24901210	Isotope_Atom_Count	0
79425	Mono_Isotopic_Weight	215.976764
13639781	Exact_Mass	107.037113783
133562785	TPSA	662
12818200	Mono_Isotopic_Weight	366.16132849
14416612	Covalent_Unit_Count	1
21490213	Undefined_Bond_Stereo_Count	0
118978207	Molecular_Weight	112.17
14919832	Structure_Complexity	85.6
10379137	Total_Formal_Charge	0
7015191	Covalent_Unit_Count	1
5311312	Structure_Complexity	2220
16211286	Hydrogen_Bond_Acceptor_Count	11
20324725	Defined_Bond_Stereo_Count	0
68321924	Total_Formal_Charge	0
137784	XLogP3-AA	5.2
44338517	TPSA	33.7
155774	Total_Formal_Charge	0
73399	Hydrogen_Bond_Acceptor_Count	6
57394598	Structure_Complexity	705
146158371	Structure_Complexity	915
107983	Molecular_Weight	144.12
46587	Rotatable_Bond_Count	5
3003	Exact_Mass	392.19990218
40512	XLogP3-AA	2
5831	Rotatable_Bond_Count	4
25062766	Undefined_Atom_Stereo_Count	0
129894295	Molecular_Weight	607.7
93798	Molecular_Weight	475.3
118086727	Hydrogen_Bond_Acceptor_Count	2
9963056	Exact_Mass	954.42962397
33793	TPSA	40.5
11513733	Hydrogen_Bond_Donor_Count	0
69264	Defined_Bond_Stereo_Count	0
49865703	Hydrogen_Bond_Acceptor_Count	4
435360	Rotatable_Bond_Count	1
54207973	Hydrogen_Bond_Donor_Count	1
16122553	Covalent_Unit_Count	1
3000241	Structure_Complexity	222
4132	Covalent_Unit_Count	1
71170	Undefined_Bond_Stereo_Count	0
129635186	Structure_Complexity	955
3032472	Isotope_Atom_Count	0
67486	Isotope_Atom_Count	0
68987	Defined_Atom_Stereo_Count	0
1272	Defined_Bond_Stereo_Count	0
11825335	Isotope_Atom_Count	0
58638	Non-hydrogen_Atom_Count	20
44225660	XLogP3-AA	7.5
24987	Tautomer_Count	1
477698	Defined_Atom_Stereo_Count	0
11940	Defined_Atom_Stereo_Count	0
20253286	Structure_Complexity	65.5
6950578	Undefined_Bond_Stereo_Count	0
6443013	Defined_Bond_Stereo_Count	2
131682	Covalent_Unit_Count	1
123237074	XLogP3-AA	1.1
6933312	Isotope_Atom_Count	0
5282421	Undefined_Atom_Stereo_Count	0
91298647	Isotope_Atom_Count	0
11105314	Defined_Atom_Stereo_Count	0
441236	Mono_Isotopic_Weight	746.31717767
87386545	Defined_Atom_Stereo_Count	0
11921	Defined_Atom_Stereo_Count	0
24466	Hydrogen_Bond_Acceptor_Count	4
62963	Total_Formal_Charge	0
66692781	Molecular_Weight	277.4
123769339	Hydrogen_Bond_Acceptor_Count	2
67631	Isotope_Atom_Count	0
3034285	Structure_Complexity	646
193450	Structure_Complexity	297
37367	Rotatable_Bond_Count	3
20134527	Hydrogen_Bond_Donor_Count	0
71946	XLogP3-AA	2.5
156615	Tautomer_Count	2
165360154	Exact_Mass	846.1243199
10930	TPSA	43.1
83971	Hydrogen_Bond_Donor_Count	6
59966627	Undefined_Bond_Stereo_Count	0
57384040	Defined_Bond_Stereo_Count	0
650960	Covalent_Unit_Count	1
61585	Molecular_Weight	244.37
5481119	Undefined_Atom_Stereo_Count	0
19888391	Isotope_Atom_Count	0
123894108	Defined_Atom_Stereo_Count	0
121595926	XLogP3-AA	4.3
44455045	Hydrogen_Bond_Acceptor_Count	12
85576	Hydrogen_Bond_Acceptor_Count	2
17572266	Undefined_Bond_Stereo_Count	0
3036974	Undefined_Bond_Stereo_Count	0
41596	Hydrogen_Bond_Donor_Count	2
122361610	Mono_Isotopic_Weight	430.23553880
14027329	Hydrogen_Bond_Acceptor_Count	2
23182417	Hydrogen_Bond_Donor_Count	1
12702817	Mono_Isotopic_Weight	109.01393355
83363	XLogP3	6.2
7563	Tautomer_Count	2
146049044	Structure_Complexity	96.3
9989234	Hydrogen_Bond_Donor_Count	1
11043	Defined_Atom_Stereo_Count	0
11734	Structure_Complexity	61.8
49243	Covalent_Unit_Count	1
135763205	Rotatable_Bond_Count	3
734215	XLogP3	4.4
64200	Defined_Atom_Stereo_Count	0
6914285	Hydrogen_Bond_Donor_Count	3
43013	Total_Formal_Charge	0
102846	Defined_Bond_Stereo_Count	0
544137	Non-hydrogen_Atom_Count	8
521993	XLogP3-AA	0.5
23521244	Hydrogen_Bond_Acceptor_Count	0
441371	Structure_Complexity	1550
3694570	XLogP3-AA	3.9
153308419	Hydrogen_Bond_Acceptor_Count	3
616573	Mono_Isotopic_Weight	235.110947427
70688569	Total_Formal_Charge	0
40903	Hydrogen_Bond_Donor_Count	0
42599603	TPSA	86
21866502	Undefined_Bond_Stereo_Count	0
39175	Undefined_Bond_Stereo_Count	0
123610	Isotope_Atom_Count	0
530132	Molecular_Weight	217.34
99404	Molecular_Weight	228.31
142834	Exact_Mass	94.078250319
537677	Exact_Mass	100.03851076
445858	Rotatable_Bond_Count	3
24901348	Exact_Mass	531.1150183
135491728	Exact_Mass	359.1321926
71698	Molecular_Weight	262.35
23090608	Defined_Atom_Stereo_Count	0
96338	Undefined_Bond_Stereo_Count	0
9989	XLogP3-AA	3.1
10986305	Undefined_Bond_Stereo_Count	0
2782201	Mono_Isotopic_Weight	255.07317976
11224409	Total_Formal_Charge	0
51003564	Molecular_Weight	256.30
13794994	Structure_Complexity	149
180576	Rotatable_Bond_Count	3
26248	Non-hydrogen_Atom_Count	27
10391	Rotatable_Bond_Count	4
4735	Covalent_Unit_Count	1
5284515	Tautomer_Count	1
11519741	Undefined_Atom_Stereo_Count	0
12363650	Molecular_Weight	115.09
54025111	Structure_Complexity	92
67797735	Tautomer_Count	4
67515	Covalent_Unit_Count	1
439284	Isotope_Atom_Count	0
429016	Defined_Bond_Stereo_Count	0
6858006	Undefined_Bond_Stereo_Count	0
53699081	Total_Formal_Charge	0
29971	Structure_Complexity	62.7
52949394	Undefined_Bond_Stereo_Count	0
441384	Defined_Bond_Stereo_Count	0
30529	Molecular_Weight	227.5
158782	Hydrogen_Bond_Donor_Count	17
11397521	Tautomer_Count	7
10176730	Mono_Isotopic_Weight	213.0071819
58270057	XLogP3-AA	1.7
53920622	Mono_Isotopic_Weight	99.032028402
7443	Covalent_Unit_Count	1
21026729	Exact_Mass	88.100048391
41206	Molecular_Weight	240.34
1232	Covalent_Unit_Count	1
11979316	Defined_Atom_Stereo_Count	0
135402338	Exact_Mass	267.06439116
535722	Undefined_Bond_Stereo_Count	0
40784491	Hydrogen_Bond_Acceptor_Count	2
18924614	Total_Formal_Charge	0
135398003	Undefined_Bond_Stereo_Count	0
88589624	Non-hydrogen_Atom_Count	47
55291303	Covalent_Unit_Count	1
67944	Defined_Atom_Stereo_Count	0
39212	Exact_Mass	491.18793473
5321948	Hydrogen_Bond_Acceptor_Count	5
123766000	Isotope_Atom_Count	0
2724588	Isotope_Atom_Count	0
71267	Undefined_Atom_Stereo_Count	0
1775	Non-hydrogen_Atom_Count	19
43029	Rotatable_Bond_Count	6
5327686	Hydrogen_Bond_Donor_Count	1
21692	Defined_Atom_Stereo_Count	2
134812042	Hydrogen_Bond_Acceptor_Count	11
24901210	Undefined_Bond_Stereo_Count	0
3686	TPSA	72.8
557608	Molecular_Weight	138.21
13348002	Hydrogen_Bond_Acceptor_Count	0
98181809	Hydrogen_Bond_Donor_Count	1
22353206	Structure_Complexity	100
2826731	Mono_Isotopic_Weight	255.0784668
38359009	Defined_Atom_Stereo_Count	6
215	Hydrogen_Bond_Donor_Count	1
16822	Undefined_Atom_Stereo_Count	0
24005	TPSA	20.2
10527347	Covalent_Unit_Count	1
1107	Mono_Isotopic_Weight	248.214015512
274667	Structure_Complexity	362
6451325	Defined_Atom_Stereo_Count	4
13157	Hydrogen_Bond_Donor_Count	1
65578	Covalent_Unit_Count	1
13396127	Structure_Complexity	64.6
441278	Hydrogen_Bond_Donor_Count	1
257630	XLogP3-AA	3.8
7086	Isotope_Atom_Count	0
4570	Non-hydrogen_Atom_Count	24
60618	Structure_Complexity	504
53320444	Molecular_Weight	465.5
226764	Hydrogen_Bond_Donor_Count	0
6778	TPSA	52.6
4113	Hydrogen_Bond_Acceptor_Count	2
60810	Exact_Mass	475.20936192
5326976	Hydrogen_Bond_Donor_Count	1
127150	Hydrogen_Bond_Acceptor_Count	7
12753	Undefined_Atom_Stereo_Count	0
21447199	Non-hydrogen_Atom_Count	7
91195806	XLogP3-AA	2.1
62529	XLogP3-AA	2.5
41170	Total_Formal_Charge	0
158785912	Non-hydrogen_Atom_Count	85
918436	Hydrogen_Bond_Donor_Count	0
92546	Exact_Mass	224.07970687
135348034	Isotope_Atom_Count	0
24181099	Exact_Mass	490.99433960
14552327	TPSA	20.2
6419	Covalent_Unit_Count	1
31703	Undefined_Atom_Stereo_Count	0
5329016	Undefined_Atom_Stereo_Count	0
448	XLogP3	0.9
15208558	Undefined_Bond_Stereo_Count	0
40826	Hydrogen_Bond_Acceptor_Count	4
5380	Isotope_Atom_Count	0
142775	Hydrogen_Bond_Donor_Count	4
11951726	Non-hydrogen_Atom_Count	27
601791	Hydrogen_Bond_Donor_Count	0
6435335	Non-hydrogen_Atom_Count	30
3033151	Rotatable_Bond_Count	6
19395	Hydrogen_Bond_Donor_Count	0
9835303	Defined_Atom_Stereo_Count	7
23695905	Exact_Mass	243.08713759
9954280	Rotatable_Bond_Count	5
70579	Hydrogen_Bond_Acceptor_Count	0
60575	Undefined_Bond_Stereo_Count	0
78138	Total_Formal_Charge	0
60561	Covalent_Unit_Count	1
129626607	Mono_Isotopic_Weight	231.02697933
8416	Total_Formal_Charge	0
17861	Undefined_Atom_Stereo_Count	0
13398	Exact_Mass	140.120115130
57973135	Defined_Atom_Stereo_Count	3
2734117	Structure_Complexity	281
118972006	Undefined_Bond_Stereo_Count	0
166548151	Mono_Isotopic_Weight	107.073499291
24758982	Undefined_Bond_Stereo_Count	0
12317358	Structure_Complexity	152
76321	Covalent_Unit_Count	1
37723	Defined_Atom_Stereo_Count	35
9973981	Exact_Mass	331.1339066
14849271	Undefined_Bond_Stereo_Count	0
821217	Covalent_Unit_Count	1
9877343	Total_Formal_Charge	0
60942	Undefined_Atom_Stereo_Count	6
7041	Undefined_Bond_Stereo_Count	0
118011485	Structure_Complexity	415
11393	Exact_Mass	186.068079557
11177	Covalent_Unit_Count	3
220773	Undefined_Atom_Stereo_Count	0
3082718	Exact_Mass	390.1265688
542372	Covalent_Unit_Count	1
14481877	Defined_Bond_Stereo_Count	0
161122	Molecular_Weight	137.12
16220016	Molecular_Weight	3431.9
2684	Covalent_Unit_Count	1
89534431	Undefined_Bond_Stereo_Count	0
79784	Undefined_Bond_Stereo_Count	0
12560	Undefined_Atom_Stereo_Count	0
756	Undefined_Bond_Stereo_Count	0
135499879	Mono_Isotopic_Weight	405.14707541
170472	TPSA	129
545809	Molecular_Weight	200.28
90427261	TPSA	20.2
1951	Defined_Atom_Stereo_Count	0
4160	Hydrogen_Bond_Donor_Count	1
140568	Undefined_Bond_Stereo_Count	0
23615311	TPSA	141
259577	Covalent_Unit_Count	1
71624688	Total_Formal_Charge	0
68089	Tautomer_Count	3
10833	Total_Formal_Charge	0
135391142	Covalent_Unit_Count	3
5356697	Hydrogen_Bond_Acceptor_Count	1
101136808	TPSA	554
12246933	Hydrogen_Bond_Acceptor_Count	3
101649230	Undefined_Bond_Stereo_Count	0
9187	Defined_Atom_Stereo_Count	0
60196382	Hydrogen_Bond_Donor_Count	0
272079	Defined_Atom_Stereo_Count	0
5280483	Covalent_Unit_Count	1
6367	Total_Formal_Charge	0
135876149	Defined_Atom_Stereo_Count	9
123649851	Mono_Isotopic_Weight	101.084063974
545963	Rotatable_Bond_Count	53
22058802	Molecular_Weight	106.16
638132	Isotope_Atom_Count	0
94860	Undefined_Atom_Stereo_Count	0
4469	Covalent_Unit_Count	9
118318030	Structure_Complexity	756
22320	Isotope_Atom_Count	0
10034577	Structure_Complexity	42.8
26546	Defined_Bond_Stereo_Count	0
39212	Tautomer_Count	4
5311184	Covalent_Unit_Count	2
450591	Defined_Bond_Stereo_Count	0
21490213	Hydrogen_Bond_Acceptor_Count	2
198707	Tautomer_Count	2
87645235	Total_Formal_Charge	0
54700	Hydrogen_Bond_Acceptor_Count	4
441242	Defined_Atom_Stereo_Count	2
23691996	Isotope_Atom_Count	0
62786	Molecular_Weight	231.72
36209	Total_Formal_Charge	1
12754038	Defined_Bond_Stereo_Count	0
11294	Exact_Mass	364.1706265
21133868	Hydrogen_Bond_Donor_Count	0
5353521	Defined_Atom_Stereo_Count	0
6435500	Undefined_Atom_Stereo_Count	1
21497	XLogP3-AA	0.1
43838	Rotatable_Bond_Count	5
44257207	Rotatable_Bond_Count	3
18055	Structure_Complexity	102
99451	Exact_Mass	203.91958482
10406	Defined_Bond_Stereo_Count	0
70719	Undefined_Bond_Stereo_Count	0
560126	TPSA	21.2
44562492	Mono_Isotopic_Weight	389.10856464
670359	TPSA	53.5
447377	Mono_Isotopic_Weight	449.07873832
2762921	Hydrogen_Bond_Acceptor_Count	2
17425	TPSA	118
44266486	Non-hydrogen_Atom_Count	21
14776	Hydrogen_Bond_Donor_Count	0
10960920	Undefined_Atom_Stereo_Count	0
21900379	Defined_Bond_Stereo_Count	0
134715456	Structure_Complexity	639
122173791	TPSA	67.2
6247	Tautomer_Count	1
10051341	Hydrogen_Bond_Donor_Count	1
581383	TPSA	18.5
11163584	Hydrogen_Bond_Acceptor_Count	5
33134	Hydrogen_Bond_Donor_Count	0
10960	Undefined_Atom_Stereo_Count	0
16719	Non-hydrogen_Atom_Count	12
14324	Isotope_Atom_Count	0
60121	Isotope_Atom_Count	0
566545	Tautomer_Count	1
162883447	Defined_Bond_Stereo_Count	0
91766	Rotatable_Bond_Count	4
69963	Hydrogen_Bond_Acceptor_Count	1
44578615	TPSA	108
57888	Hydrogen_Bond_Donor_Count	2
459235	Hydrogen_Bond_Acceptor_Count	2
153627081	Rotatable_Bond_Count	2
9813758	Molecular_Weight	255.32
7016	XLogP3-AA	3.7
67818	Structure_Complexity	448
11908488	Molecular_Weight	342.30
27428	Defined_Atom_Stereo_Count	0
71624343	Total_Formal_Charge	0
119569	Undefined_Bond_Stereo_Count	0
11105314	Hydrogen_Bond_Acceptor_Count	2
26470417	Isotope_Atom_Count	0
16220111	Total_Formal_Charge	0
12740771	Defined_Bond_Stereo_Count	0
17855362	Non-hydrogen_Atom_Count	6
4336361	Non-hydrogen_Atom_Count	22
2734952	Covalent_Unit_Count	3
19935256	Exact_Mass	99.043261792
90693263	XLogP3-AA	1.8
153852218	Hydrogen_Bond_Acceptor_Count	2
91864465	TPSA	63.6
126769	Hydrogen_Bond_Donor_Count	2
55299073	Isotope_Atom_Count	0
24846132	Isotope_Atom_Count	0
2837	Undefined_Atom_Stereo_Count	5
6398970	Isotope_Atom_Count	0
11408688	Defined_Atom_Stereo_Count	0
16038399	Molecular_Weight	373.4
21354354	Non-hydrogen_Atom_Count	8
94744	Defined_Atom_Stereo_Count	0
18506387	Hydrogen_Bond_Donor_Count	2
21455617	Rotatable_Bond_Count	0
5678496	Total_Formal_Charge	0
73330464	TPSA	90
78179	Exact_Mass	148.121177757
25793	Hydrogen_Bond_Donor_Count	1
12275548	Mono_Isotopic_Weight	376.07943208
5386	Defined_Bond_Stereo_Count	0
12150	Mono_Isotopic_Weight	138.068079557
61661	Defined_Bond_Stereo_Count	0
135444779	Molecular_Weight	441.4
24197375	Hydrogen_Bond_Donor_Count	3
76223995	Hydrogen_Bond_Acceptor_Count	1
5459361	Rotatable_Bond_Count	42
2513	Molecular_Weight	138.00
4541	Tautomer_Count	1
557356	TPSA	83.9
49426	Rotatable_Bond_Count	8
223368	XLogP3-AA	2.9
23276	Undefined_Bond_Stereo_Count	0
347590	XLogP3	2.4
58801077	Undefined_Bond_Stereo_Count	0
20039	Mono_Isotopic_Weight	235.10692467
412795	Hydrogen_Bond_Donor_Count	0
12625	Rotatable_Bond_Count	1
71756167	Defined_Atom_Stereo_Count	0
11332423	Defined_Atom_Stereo_Count	0
12642471	Defined_Atom_Stereo_Count	0
93252	Hydrogen_Bond_Acceptor_Count	2
118978207	Defined_Bond_Stereo_Count	0
5360315	Rotatable_Bond_Count	0
5319404	Covalent_Unit_Count	1
5702132	Mono_Isotopic_Weight	277.07324176
449328	Covalent_Unit_Count	1
1013376	Non-hydrogen_Atom_Count	26
44404716	Hydrogen_Bond_Donor_Count	0
86836	Undefined_Bond_Stereo_Count	1
59446219	Isotope_Atom_Count	0
44393	XLogP3-AA	7
11241863	Covalent_Unit_Count	1
16495	Hydrogen_Bond_Donor_Count	0
68345	Covalent_Unit_Count	1
1905	Defined_Atom_Stereo_Count	0
79811	Undefined_Bond_Stereo_Count	0
22053930	Covalent_Unit_Count	1
12491609	Exact_Mass	112.088815002
18624855	Covalent_Unit_Count	1
67214459	Total_Formal_Charge	0
46869955	Non-hydrogen_Atom_Count	29
71464652	Structure_Complexity	463
132586824	Rotatable_Bond_Count	3
11355992	Covalent_Unit_Count	1
66265	TPSA	12
12570	Structure_Complexity	90.7
3266	Non-hydrogen_Atom_Count	24
23090608	Hydrogen_Bond_Acceptor_Count	2
656628	Defined_Atom_Stereo_Count	1
153977505	Defined_Bond_Stereo_Count	0
11602	Molecular_Weight	82.14
6720	Molecular_Weight	295.3
123816	Hydrogen_Bond_Acceptor_Count	11
22328014	Exact_Mass	114.00654193
7260	XLogP3	1.4
71583604	Rotatable_Bond_Count	5
159866	Defined_Bond_Stereo_Count	0
40467849	Defined_Bond_Stereo_Count	0
49866693	Covalent_Unit_Count	1
5282421	Isotope_Atom_Count	0
2819635	Hydrogen_Bond_Donor_Count	0
51635	Total_Formal_Charge	0
123935295	Total_Formal_Charge	0
20565024	Total_Formal_Charge	0
12668	Rotatable_Bond_Count	0
1551136	Undefined_Bond_Stereo_Count	0
12241083	Molecular_Weight	299.23
61489	TPSA	177
12248306	Rotatable_Bond_Count	3
23080901	Hydrogen_Bond_Donor_Count	0
14301363	XLogP3-AA	4.2
101755686	Molecular_Weight	978.7
1718	Non-hydrogen_Atom_Count	23
5325710	Molecular_Weight	97.12
444455	Exact_Mass	463.19883619
11949689	Structure_Complexity	538
54269666	Mono_Isotopic_Weight	85.089149355
88454	TPSA	26.3
542215	Undefined_Bond_Stereo_Count	0
5702628	TPSA	40.5
146027509	Molecular_Weight	527.5
7282	Undefined_Atom_Stereo_Count	0
21031	Rotatable_Bond_Count	0
15715913	Rotatable_Bond_Count	3
51136438	Non-hydrogen_Atom_Count	14
86472	Exact_Mass	472.39164552
10964	Covalent_Unit_Count	1
232080	Hydrogen_Bond_Donor_Count	1
57186573	Molecular_Weight	98.10
14074	Hydrogen_Bond_Donor_Count	1
7291	Hydrogen_Bond_Donor_Count	3
9841075	Isotope_Atom_Count	0
176960	Hydrogen_Bond_Donor_Count	1
12444348	TPSA	20.2
57266564	Isotope_Atom_Count	0
13662	TPSA	37.4
11953895	TPSA	139
17912	Non-hydrogen_Atom_Count	21
133640201	Tautomer_Count	1
156618027	Hydrogen_Bond_Donor_Count	8
6358	Hydrogen_Bond_Acceptor_Count	0
23533634	Rotatable_Bond_Count	1
4682	Exact_Mass	1401.73914735
18712663	Hydrogen_Bond_Donor_Count	1
139291730	Molecular_Weight	844.0
78255	XLogP3-AA	6.9
635911	Non-hydrogen_Atom_Count	43
10108847	Rotatable_Bond_Count	5
9888618	Undefined_Atom_Stereo_Count	0
15567	Defined_Bond_Stereo_Count	0
5328126	Hydrogen_Bond_Donor_Count	2
78358496	Hydrogen_Bond_Acceptor_Count	11
12471321	Exact_Mass	111.104799419
88578918	Undefined_Atom_Stereo_Count	0
5252324	Structure_Complexity	421
54493962	XLogP3-AA	1.1
135436539	Undefined_Atom_Stereo_Count	0
6433076	Structure_Complexity	346
80293	Undefined_Atom_Stereo_Count	0
529	TPSA	104
24891698	Exact_Mass	427.20082506
156693	Hydrogen_Bond_Donor_Count	2
53627587	Structure_Complexity	72.1
123653016	Hydrogen_Bond_Donor_Count	0
156592059	Structure_Complexity	1840
447153	Non-hydrogen_Atom_Count	10
657298	Mono_Isotopic_Weight	170.05138412
17783223	Undefined_Bond_Stereo_Count	0
45085092	Structure_Complexity	97.8
18755331	Rotatable_Bond_Count	1
39764	Hydrogen_Bond_Donor_Count	0
69242	Hydrogen_Bond_Acceptor_Count	0
90757603	Structure_Complexity	102
7791	Rotatable_Bond_Count	12
222284	XLogP3-AA	9.3
23674739	Undefined_Bond_Stereo_Count	0
15615	Undefined_Atom_Stereo_Count	0
158348	Hydrogen_Bond_Donor_Count	1
694743	Rotatable_Bond_Count	5
4223	Covalent_Unit_Count	1
9958041	Covalent_Unit_Count	2
359778	Defined_Bond_Stereo_Count	0
978377	Structure_Complexity	645
57568	Mono_Isotopic_Weight	211.157228913
13799	Covalent_Unit_Count	2
108037	Undefined_Bond_Stereo_Count	0
20243371	Mono_Isotopic_Weight	160.94971364
5746	Rotatable_Bond_Count	4
9883372	Total_Formal_Charge	0
670359	Isotope_Atom_Count	0
10796718	Total_Formal_Charge	0
446275	Undefined_Atom_Stereo_Count	0
137849	Total_Formal_Charge	0
3037981	Covalent_Unit_Count	1
445621	Isotope_Atom_Count	0
10510817	Hydrogen_Bond_Acceptor_Count	2
146223	Non-hydrogen_Atom_Count	36
54680783	XLogP3-AA	1.7
12472902	Non-hydrogen_Atom_Count	18
6262	Rotatable_Bond_Count	4
22392829	Structure_Complexity	108
59111489	XLogP3-AA	2.5
636523	Structure_Complexity	358
21778241	Total_Formal_Charge	0
6918178	Exact_Mass	484.1828081
20307232	Defined_Bond_Stereo_Count	0
242722	TPSA	12.9
97815	Rotatable_Bond_Count	2
436482	Hydrogen_Bond_Acceptor_Count	2
964	Non-hydrogen_Atom_Count	7
77662	Structure_Complexity	170
8441	Undefined_Bond_Stereo_Count	0
3889	TPSA	232
216454	Undefined_Bond_Stereo_Count	0
8181	Defined_Atom_Stereo_Count	0
129146	Structure_Complexity	205
14440442	Mono_Isotopic_Weight	100.03851076
13190463	Total_Formal_Charge	0
54706138	Non-hydrogen_Atom_Count	49
13795006	Non-hydrogen_Atom_Count	8
11993	TPSA	0
161259	Rotatable_Bond_Count	3
14464337	TPSA	213
39764	Defined_Atom_Stereo_Count	10
134694008	Rotatable_Bond_Count	14
6431301	Defined_Atom_Stereo_Count	2
49867926	Undefined_Atom_Stereo_Count	0
25059	Hydrogen_Bond_Donor_Count	1
20137	Hydrogen_Bond_Donor_Count	1
23279533	Defined_Bond_Stereo_Count	0
442072	Non-hydrogen_Atom_Count	20
592	Hydrogen_Bond_Donor_Count	9
12669677	Defined_Atom_Stereo_Count	6
143686076	TPSA	12
26289	Hydrogen_Bond_Donor_Count	0
13159184	Defined_Bond_Stereo_Count	0
57402175	Isotope_Atom_Count	0
22078	Defined_Atom_Stereo_Count	0
21130160	Rotatable_Bond_Count	2
6413	Covalent_Unit_Count	1
45275554	Undefined_Bond_Stereo_Count	0
20060494	Undefined_Atom_Stereo_Count	1
555949	Total_Formal_Charge	0
63002	Hydrogen_Bond_Donor_Count	4
2417	Isotope_Atom_Count	0
85705001	Rotatable_Bond_Count	0
10975462	Rotatable_Bond_Count	5
20250	Molecular_Weight	223.5
92159	Defined_Atom_Stereo_Count	0
54459	TPSA	42.8
9847219	XLogP3-AA	4.8
44318277	Rotatable_Bond_Count	4
135985157	Mono_Isotopic_Weight	113.022526347
3397	XLogP3	3.3
26038	Undefined_Atom_Stereo_Count	0
13584912	Hydrogen_Bond_Donor_Count	0
119747	Hydrogen_Bond_Acceptor_Count	19
5458730	Undefined_Bond_Stereo_Count	0
90863152	Rotatable_Bond_Count	0
24900937	Defined_Bond_Stereo_Count	0
89388	Exact_Mass	222.08920892
101666842	Exact_Mass	254.105527694
2999	XLogP3-AA	2.9
6418147	Undefined_Bond_Stereo_Count	0
88734521	Undefined_Atom_Stereo_Count	2
78228	Defined_Atom_Stereo_Count	0
22314	Molecular_Weight	382.6
3958	Total_Formal_Charge	0
103656	Isotope_Atom_Count	0
11546350	Hydrogen_Bond_Acceptor_Count	4
9890250	Molecular_Weight	455.9
6325	Defined_Bond_Stereo_Count	0
24228	Covalent_Unit_Count	1
60702533	Undefined_Bond_Stereo_Count	0
89424182	Undefined_Atom_Stereo_Count	3
250451	Hydrogen_Bond_Acceptor_Count	2
24678	Structure_Complexity	297
6918242	Hydrogen_Bond_Acceptor_Count	9
9576412	Total_Formal_Charge	0
57820	TPSA	66
9815576	TPSA	132
145971	Non-hydrogen_Atom_Count	15
9795276	Total_Formal_Charge	0
89395924	Hydrogen_Bond_Donor_Count	1
5282517	Total_Formal_Charge	0
12927947	Undefined_Bond_Stereo_Count	0
169109	Molecular_Weight	215.25
9840971	Exact_Mass	342.12157168
82650925	Non-hydrogen_Atom_Count	8
6327428	Undefined_Bond_Stereo_Count	0
10197650	Rotatable_Bond_Count	2
17351	Structure_Complexity	246
14786610	Non-hydrogen_Atom_Count	7
6210	Undefined_Bond_Stereo_Count	0
704528	XLogP3-AA	1.5
4659	Covalent_Unit_Count	5
68392349	Undefined_Bond_Stereo_Count	0
5460765	Hydrogen_Bond_Donor_Count	3
2723772	Tautomer_Count	3
2724629	Exact_Mass	353.16270821
41515	Hydrogen_Bond_Acceptor_Count	0
23667628	Undefined_Atom_Stereo_Count	0
228131	Exact_Mass	162.079312947
44629585	Exact_Mass	537.38046644
5282375	Exact_Mass	354.21949481
81150	Isotope_Atom_Count	0
82479	Defined_Bond_Stereo_Count	0
9604654	Total_Formal_Charge	0
20913	Isotope_Atom_Count	0
3035044	Undefined_Atom_Stereo_Count	0
84063983	Hydrogen_Bond_Donor_Count	0
542152	Rotatable_Bond_Count	2
41649	Defined_Bond_Stereo_Count	0
12004418	Hydrogen_Bond_Acceptor_Count	2
79142	Mono_Isotopic_Weight	114.068079557
21044269	Total_Formal_Charge	0
87635503	Non-hydrogen_Atom_Count	7
444539	XLogP3	2.1
637540	Undefined_Atom_Stereo_Count	0
16204922	Structure_Complexity	508
59648875	Structure_Complexity	113
29373	Undefined_Atom_Stereo_Count	0
139782102	Non-hydrogen_Atom_Count	7
69632065	Non-hydrogen_Atom_Count	8
2911	Undefined_Atom_Stereo_Count	1
129852452	Rotatable_Bond_Count	8
236	TPSA	106
130147045	Hydrogen_Bond_Donor_Count	1
274234	Isotope_Atom_Count	0
21823	Undefined_Bond_Stereo_Count	0
69845	Molecular_Weight	151.19
440623	Molecular_Weight	286.4
70544	Non-hydrogen_Atom_Count	14
6770	Total_Formal_Charge	0
124316	Defined_Bond_Stereo_Count	0
3595299	Defined_Bond_Stereo_Count	0
73185506	Undefined_Bond_Stereo_Count	1
10949	Molecular_Weight	125.13
56052	Undefined_Atom_Stereo_Count	2
133085	Defined_Atom_Stereo_Count	0
86260	Mono_Isotopic_Weight	373.839331
11111	Rotatable_Bond_Count	0
37137	XLogP3	4.4
6433339	TPSA	9.2
71600846	Isotope_Atom_Count	0
12460864	Defined_Bond_Stereo_Count	0
12284	Structure_Complexity	125
640759	XLogP3	1.6
14875988	Defined_Atom_Stereo_Count	0
21720742	XLogP3-AA	0.7
10953595	Defined_Atom_Stereo_Count	3
91902981	Covalent_Unit_Count	1
10991489	Rotatable_Bond_Count	4
71460731	Rotatable_Bond_Count	5
72941511	Hydrogen_Bond_Donor_Count	8
20581047	Rotatable_Bond_Count	0
49865733	XLogP3-AA	3.5
14716	Hydrogen_Bond_Acceptor_Count	4
25132069	Non-hydrogen_Atom_Count	26
17819	Defined_Atom_Stereo_Count	0
283	XLogP3-AA	0.5
135398627	Isotope_Atom_Count	0
31343	Total_Formal_Charge	0
91523740	Molecular_Weight	110.20
22420437	Defined_Atom_Stereo_Count	0
650201	XLogP3-AA	3.1
156120	XLogP3-AA	0
4954	Undefined_Bond_Stereo_Count	1
552109	Molecular_Weight	118.17
14284	Defined_Atom_Stereo_Count	0
15324722	Structure_Complexity	151
58979809	Defined_Bond_Stereo_Count	0
543562	Defined_Bond_Stereo_Count	0
439456	Rotatable_Bond_Count	6
159325	Structure_Complexity	889
91694113	Undefined_Atom_Stereo_Count	2
97865	Rotatable_Bond_Count	4
13217907	Molecular_Weight	111.14
10004622	Undefined_Bond_Stereo_Count	0
350445	Exact_Mass	98.048012819
103032	Defined_Bond_Stereo_Count	0
13069	Rotatable_Bond_Count	0
4557	TPSA	40.5
81561	Undefined_Bond_Stereo_Count	0
110976	Molecular_Weight	254.41
60753	Hydrogen_Bond_Donor_Count	2
12051	Total_Formal_Charge	0
9841240	Undefined_Bond_Stereo_Count	0
57160816	Defined_Bond_Stereo_Count	0
176077	Non-hydrogen_Atom_Count	11
1061	Covalent_Unit_Count	1
14489	Defined_Bond_Stereo_Count	0
24556	Hydrogen_Bond_Acceptor_Count	4
23295738	Defined_Bond_Stereo_Count	0
52942478	Covalent_Unit_Count	1
61511	Total_Formal_Charge	0
67615455	Undefined_Atom_Stereo_Count	2
17076	Isotope_Atom_Count	0
89187208	Mono_Isotopic_Weight	416.32904526
12289998	Isotope_Atom_Count	0
7020094	Molecular_Weight	270.24
84762050	TPSA	46.3
14452005	Defined_Bond_Stereo_Count	0
70301	Molecular_Weight	150.18
69810334	Exact_Mass	110.073164938
8208	Tautomer_Count	1
22630	Defined_Bond_Stereo_Count	0
119146	Total_Formal_Charge	0
1517	XLogP3-AA	7.5
167980	Hydrogen_Bond_Donor_Count	2
6558	Rotatable_Bond_Count	1
160435	Rotatable_Bond_Count	0
118253852	Total_Formal_Charge	0
8121	Defined_Atom_Stereo_Count	0
12140079	Structure_Complexity	151
3000825	Total_Formal_Charge	0
77554	Structure_Complexity	302
76848959	Defined_Atom_Stereo_Count	1
6918026	Hydrogen_Bond_Acceptor_Count	13
61305	Total_Formal_Charge	0
15178985	Exact_Mass	114.068079557
442461	Isotope_Atom_Count	0
12885796	Rotatable_Bond_Count	4
12576852	Non-hydrogen_Atom_Count	8
6844	Exact_Mass	188.047344113
5496862	TPSA	117
37873	Non-hydrogen_Atom_Count	6
16131923	Undefined_Bond_Stereo_Count	0
11954	Mono_Isotopic_Weight	135.068413911
43994	Mono_Isotopic_Weight	242.0822054
8736	Hydrogen_Bond_Donor_Count	1
20475566	Total_Formal_Charge	0
12310948	Rotatable_Bond_Count	0
15365	Hydrogen_Bond_Donor_Count	0
129627691	Undefined_Bond_Stereo_Count	0
141427445	Structure_Complexity	147
17593	Hydrogen_Bond_Acceptor_Count	2
11567	Hydrogen_Bond_Donor_Count	0
3415	Structure_Complexity	120
471360	Mono_Isotopic_Weight	185.10519334
58935140	TPSA	29.1
265	Molecular_Weight	837.6
601880	Mono_Isotopic_Weight	180.04225873
6009	Structure_Complexity	343
70694805	XLogP3-AA	0.6
82622	Structure_Complexity	343
123457	Hydrogen_Bond_Acceptor_Count	1
91053206	Undefined_Atom_Stereo_Count	1
9818231	Hydrogen_Bond_Donor_Count	1
123537454	XLogP3-AA	2.1
31356	Undefined_Bond_Stereo_Count	0
3440	Hydrogen_Bond_Acceptor_Count	7
12653319	Exact_Mass	117.078978594
444614	Undefined_Atom_Stereo_Count	1
6604200	Non-hydrogen_Atom_Count	17
103875	Defined_Atom_Stereo_Count	0
131443	Tautomer_Count	1
11742188	Hydrogen_Bond_Acceptor_Count	5
20265292	Mono_Isotopic_Weight	114.068079557
16642494	Hydrogen_Bond_Acceptor_Count	2
24765417	Defined_Atom_Stereo_Count	0
54111	Molecular_Weight	290.12
6436223	Hydrogen_Bond_Donor_Count	4
92272	Non-hydrogen_Atom_Count	16
633366	Non-hydrogen_Atom_Count	20
71248	Structure_Complexity	471
10047141	Hydrogen_Bond_Donor_Count	1
53232451	Mono_Isotopic_Weight	355.13569983
18373078	Molecular_Weight	97.07
6140	Non-hydrogen_Atom_Count	12
54693001	Rotatable_Bond_Count	7
138107	Non-hydrogen_Atom_Count	6
18684078	Defined_Bond_Stereo_Count	1
66950	TPSA	67.5
19649	TPSA	336
444797	Total_Formal_Charge	0
1725	Non-hydrogen_Atom_Count	10
13065	Hydrogen_Bond_Acceptor_Count	0
189856	Undefined_Bond_Stereo_Count	0
91571687	Non-hydrogen_Atom_Count	7
63013	Mono_Isotopic_Weight	299.1652068
10891	Non-hydrogen_Atom_Count	9
19022	Isotope_Atom_Count	0
43813	Hydrogen_Bond_Donor_Count	1
1550694	Molecular_Weight	360.5
5370611	Defined_Bond_Stereo_Count	1
118944	Non-hydrogen_Atom_Count	8
138107644	Total_Formal_Charge	0
161562	Hydrogen_Bond_Donor_Count	0
10399535	TPSA	48.1
534439	Molecular_Weight	114.19
61136	Undefined_Bond_Stereo_Count	0
95269	Undefined_Atom_Stereo_Count	2
136305612	Undefined_Atom_Stereo_Count	0
20259185	Non-hydrogen_Atom_Count	8
3255932	Defined_Atom_Stereo_Count	0
21887872	Rotatable_Bond_Count	0
102891	Hydrogen_Bond_Acceptor_Count	7
72758138	Isotope_Atom_Count	0
57395973	Covalent_Unit_Count	1
5283393	XLogP3-AA	5.6
49865859	Hydrogen_Bond_Donor_Count	2
82343	Defined_Atom_Stereo_Count	0
6999030	TPSA	124
36513	Hydrogen_Bond_Acceptor_Count	3
5312804	Undefined_Atom_Stereo_Count	0
21872909	TPSA	173
16211417	Hydrogen_Bond_Donor_Count	0
119435	Defined_Bond_Stereo_Count	0
936	Exact_Mass	122.048012819
253877	Undefined_Atom_Stereo_Count	0
70452	Total_Formal_Charge	0
4395139	Hydrogen_Bond_Acceptor_Count	1
6438376	Isotope_Atom_Count	0
136874	Structure_Complexity	68.5
67375395	XLogP3-AA	2.8
447407	Covalent_Unit_Count	1
101099404	Rotatable_Bond_Count	6
417349	Non-hydrogen_Atom_Count	18
585785	Defined_Atom_Stereo_Count	0
46943432	Hydrogen_Bond_Acceptor_Count	5
97627	Structure_Complexity	398
18506428	Mono_Isotopic_Weight	118.062994177
9567	Undefined_Bond_Stereo_Count	0
28557	Non-hydrogen_Atom_Count	18
16070111	Covalent_Unit_Count	1
11240435	Undefined_Bond_Stereo_Count	0
57750418	Exact_Mass	382.19173754
15130858	Undefined_Bond_Stereo_Count	0
10972974	Rotatable_Bond_Count	12
101882533	Structure_Complexity	735
54584753	Molecular_Weight	424.5
5363685	Total_Formal_Charge	0
54187438	Structure_Complexity	74.2
24813	Defined_Bond_Stereo_Count	0
129316724	Mono_Isotopic_Weight	327.202608250
585999	Non-hydrogen_Atom_Count	19
6515535	Isotope_Atom_Count	0
138506	Isotope_Atom_Count	0
68156	Covalent_Unit_Count	1
60814	TPSA	76.2
56218	Molecular_Weight	184.28
5352982	Total_Formal_Charge	0
119093923	Rotatable_Bond_Count	1
21835032	Hydrogen_Bond_Acceptor_Count	1
66559276	Undefined_Bond_Stereo_Count	0
23687713	Non-hydrogen_Atom_Count	14
30921	Undefined_Atom_Stereo_Count	1
13917	Molecular_Weight	221.29
22078	Hydrogen_Bond_Acceptor_Count	2
72187527	Hydrogen_Bond_Acceptor_Count	5
135410906	Covalent_Unit_Count	1
12867691	Hydrogen_Bond_Donor_Count	0
60785	TPSA	52.2
1345	XLogP3-AA	5.5
269395	Covalent_Unit_Count	1
6469	Molecular_Weight	261.36
1291	Undefined_Atom_Stereo_Count	1
154461366	Non-hydrogen_Atom_Count	8
85145	Rotatable_Bond_Count	16
5057599	XLogP3-AA	4.5
52945794	Defined_Bond_Stereo_Count	0
3234	Undefined_Bond_Stereo_Count	1
851990	Undefined_Atom_Stereo_Count	0
637552	Hydrogen_Bond_Donor_Count	1
31272	XLogP3	1.8
5984	Hydrogen_Bond_Acceptor_Count	6
387316	TPSA	132
68416	Exact_Mass	285.99530
168924	Total_Formal_Charge	0
29393	Defined_Bond_Stereo_Count	0
2724141	Undefined_Bond_Stereo_Count	0
7103	Covalent_Unit_Count	1
8983	Undefined_Atom_Stereo_Count	0
143286	Undefined_Bond_Stereo_Count	0
536643	Covalent_Unit_Count	1
102855	Undefined_Atom_Stereo_Count	1
1672	Undefined_Bond_Stereo_Count	0
90936519	Mono_Isotopic_Weight	1201.84136802
94781	Rotatable_Bond_Count	4
45484184	TPSA	99.8
21152819	Undefined_Atom_Stereo_Count	2
21998683	Exact_Mass	97.089149355
39468	TPSA	58.6
3068367	Hydrogen_Bond_Acceptor_Count	16
23462	Non-hydrogen_Atom_Count	9
48199	Rotatable_Bond_Count	7
129650960	Hydrogen_Bond_Acceptor_Count	11
171970	Tautomer_Count	2
21954793	Total_Formal_Charge	0
22591	Defined_Atom_Stereo_Count	0
76292	Non-hydrogen_Atom_Count	12
10498042	XLogP3-AA	6.2
21998248	Structure_Complexity	212
154066059	Molecular_Weight	110.07
21634	Undefined_Bond_Stereo_Count	0
22041940	Covalent_Unit_Count	1
51072180	Mono_Isotopic_Weight	99.068413911
44630475	Mono_Isotopic_Weight	399.06814
56658717	Total_Formal_Charge	0
688510	XLogP3-AA	3.1
23567810	Hydrogen_Bond_Donor_Count	0
10092649	Undefined_Atom_Stereo_Count	0
50962	Exact_Mass	318.161979940
69601	Mono_Isotopic_Weight	116.062600255
8125	Exact_Mass	112.125200510
5853	Total_Formal_Charge	0
5288670	Covalent_Unit_Count	1
283654	Molecular_Weight	264.32
129446563	TPSA	60.7
549240	Undefined_Bond_Stereo_Count	0
4418048	XLogP3	1
71464488	Undefined_Bond_Stereo_Count	0
53476	Mono_Isotopic_Weight	249.9799641
136582	Undefined_Bond_Stereo_Count	0
12285870	Defined_Atom_Stereo_Count	4
93115	XLogP3-AA	12.8
3246941	Isotope_Atom_Count	0
19073515	Undefined_Atom_Stereo_Count	1
39617	Covalent_Unit_Count	1
6992140	Molecular_Weight	333.34
6781	Defined_Bond_Stereo_Count	0
441199	XLogP3	0
3297	Defined_Bond_Stereo_Count	0
22720	Mono_Isotopic_Weight	103.099714038
8425	Defined_Atom_Stereo_Count	0
5280570	Undefined_Bond_Stereo_Count	0
12231381	Undefined_Atom_Stereo_Count	1
32451	Defined_Atom_Stereo_Count	0
11548000	Defined_Atom_Stereo_Count	0
96251	Mono_Isotopic_Weight	244.088815002
2180	Tautomer_Count	1
11419335	Mono_Isotopic_Weight	441.20524173
135455401	Isotope_Atom_Count	0
46871497	Defined_Atom_Stereo_Count	0
11815712	Defined_Bond_Stereo_Count	1
2733294	Hydrogen_Bond_Acceptor_Count	2
57340472	Undefined_Bond_Stereo_Count	0
36870	Mono_Isotopic_Weight	343.9628144
97860	Exact_Mass	254.094294304
74889149	Defined_Bond_Stereo_Count	0
3082393	Isotope_Atom_Count	0
2223	Undefined_Atom_Stereo_Count	1
564847	Undefined_Atom_Stereo_Count	0
87552098	Undefined_Bond_Stereo_Count	0
7419	TPSA	63.3
252281	Total_Formal_Charge	0
18819	Exact_Mass	246.12873571
6918558	Defined_Bond_Stereo_Count	0
62158	Hydrogen_Bond_Donor_Count	3
91429	Structure_Complexity	457
8117	Non-hydrogen_Atom_Count	7
6273649	Hydrogen_Bond_Acceptor_Count	4
10286159	Hydrogen_Bond_Donor_Count	2
6918585	Hydrogen_Bond_Acceptor_Count	56
67247971	Total_Formal_Charge	0
97971	Mono_Isotopic_Weight	233.9850495
63346	Defined_Bond_Stereo_Count	0
3711	Molecular_Weight	416.4
535480	Defined_Bond_Stereo_Count	0
4584	Defined_Atom_Stereo_Count	0
23985	TPSA	0
66588767	Defined_Atom_Stereo_Count	0
80792	Undefined_Atom_Stereo_Count	0
9601349	Rotatable_Bond_Count	3
22225791	Isotope_Atom_Count	0
3033988	Hydrogen_Bond_Donor_Count	0
11492	Exact_Mass	137.084063974
4774	Non-hydrogen_Atom_Count	21
62583	Defined_Bond_Stereo_Count	0
15567019	Isotope_Atom_Count	0
13344	Exact_Mass	305.8946469
44308032	Covalent_Unit_Count	1
6693	XLogP3	2.3
176163	Molecular_Weight	394.5
4526530	Isotope_Atom_Count	0
40460	Tautomer_Count	5
57572	Undefined_Bond_Stereo_Count	0
12201383	Undefined_Bond_Stereo_Count	0
53850432	Mono_Isotopic_Weight	114.031694049
11532248	Undefined_Bond_Stereo_Count	0
9826520	Hydrogen_Bond_Donor_Count	0
21987892	Molecular_Weight	206.35
13208114	Total_Formal_Charge	0
96354	Structure_Complexity	249
87412180	Total_Formal_Charge	0
44392105	Undefined_Atom_Stereo_Count	0
70687322	Total_Formal_Charge	0
12028	Undefined_Atom_Stereo_Count	0
657014	Rotatable_Bond_Count	0
76223445	Molecular_Weight	81.12
18087	Rotatable_Bond_Count	0
172306	Exact_Mass	591.1707033
136790	TPSA	0
2723785	Hydrogen_Bond_Donor_Count	2
11604	Exact_Mass	81.057849228
210332	Mono_Isotopic_Weight	393.22770851
13847709	Defined_Atom_Stereo_Count	1
704316	Exact_Mass	331.0182254
2691	Mono_Isotopic_Weight	499.21793167
148539	Exact_Mass	132.0341926
4839	Defined_Bond_Stereo_Count	0
524681	Defined_Atom_Stereo_Count	0
36995	Undefined_Bond_Stereo_Count	0
60967	Covalent_Unit_Count	1
55804	Tautomer_Count	3
66025	Mono_Isotopic_Weight	151.063328530
82511	Rotatable_Bond_Count	9
71808	Structure_Complexity	147
44392111	Covalent_Unit_Count	1
71545	Isotope_Atom_Count	0
3300	Molecular_Weight	290.36
119096639	Non-hydrogen_Atom_Count	8
24247	Non-hydrogen_Atom_Count	5
66679	Isotope_Atom_Count	0
31238	Exact_Mass	260.250401021
79173	Mono_Isotopic_Weight	174.107606347
9907412	Hydrogen_Bond_Acceptor_Count	4
51358375	Rotatable_Bond_Count	19
44123551	Undefined_Bond_Stereo_Count	0
3106	Undefined_Bond_Stereo_Count	0
24729333	XLogP3-AA	1.5
69421	Total_Formal_Charge	0
11249248	Undefined_Atom_Stereo_Count	0
174042	XLogP3-AA	39.9
9424	Rotatable_Bond_Count	4
73707340	Exact_Mass	326.272199093
23725056	Molecular_Weight	761.8
12278548	Exact_Mass	111.079647300
8697	Covalent_Unit_Count	1
22954661	Defined_Atom_Stereo_Count	0
961192	Total_Formal_Charge	0
19989310	Undefined_Atom_Stereo_Count	1
6713428	Defined_Bond_Stereo_Count	0
24875236	Isotope_Atom_Count	0
70678541	Rotatable_Bond_Count	17
41191	Defined_Bond_Stereo_Count	0
104904	Non-hydrogen_Atom_Count	14
11693896	Covalent_Unit_Count	1
163677749	Hydrogen_Bond_Donor_Count	0
17001	Rotatable_Bond_Count	6
46869955	Mono_Isotopic_Weight	409.14601278
105427064	Defined_Atom_Stereo_Count	0
54601825	Rotatable_Bond_Count	7
61007	Molecular_Weight	178.23
13568	XLogP3-AA	2.3
132274234	Exact_Mass	1608.51510
6433695	Hydrogen_Bond_Donor_Count	1
667467	Mono_Isotopic_Weight	315.0848484
9297	Undefined_Bond_Stereo_Count	0
5363234	Structure_Complexity	362
140830181	Undefined_Bond_Stereo_Count	0
41872	Rotatable_Bond_Count	2
66711	Covalent_Unit_Count	1
71091807	Total_Formal_Charge	0
205953	Undefined_Atom_Stereo_Count	2
130035834	Exact_Mass	100.052429494
11072675	Defined_Bond_Stereo_Count	0
58611	Defined_Bond_Stereo_Count	0
150310	XLogP3	1.4
10555851	Total_Formal_Charge	0
13203	Covalent_Unit_Count	1
19063438	Total_Formal_Charge	0
668531	Non-hydrogen_Atom_Count	19
1362	Isotope_Atom_Count	0
9814448	Tautomer_Count	2
11051583	Molecular_Weight	98.10
87380	Exact_Mass	240.133427172
17799937	TPSA	24.4
3107848	TPSA	46.2
5530	Exact_Mass	133.089149355
22878123	Mono_Isotopic_Weight	292.18858861
4178	Molecular_Weight	179.26
2451	XLogP3	2.8
84731066	Mono_Isotopic_Weight	118.062994177
883785	Isotope_Atom_Count	0
1970	Mono_Isotopic_Weight	399.16550218
278150	Structure_Complexity	98.7
37249	Structure_Complexity	258
24721540	Hydrogen_Bond_Acceptor_Count	18
129891	TPSA	37.3
6427	Hydrogen_Bond_Acceptor_Count	2
520190	Exact_Mass	290.260965704
49866025	Hydrogen_Bond_Acceptor_Count	3
46174070	Exact_Mass	1352.5732147
86170	Covalent_Unit_Count	1
91438571	Molecular_Weight	105.14
63985	Undefined_Bond_Stereo_Count	0
123702	Exact_Mass	288.21748344
35740	Structure_Complexity	868
53754520	Exact_Mass	180.089877630
74663	Isotope_Atom_Count	0
9868491	Tautomer_Count	1
198008	Molecular_Weight	482.17
71734	Undefined_Bond_Stereo_Count	0
61410	TPSA	26.3
32176	Isotope_Atom_Count	0
53384934	Hydrogen_Bond_Donor_Count	7
70678590	Molecular_Weight	1355.4
88155838	XLogP3-AA	5.1
6918332	Non-hydrogen_Atom_Count	27
54500069	Hydrogen_Bond_Donor_Count	2
16058317	Non-hydrogen_Atom_Count	91
8411	Exact_Mass	244.121177757
44560808	Covalent_Unit_Count	1
4834	Non-hydrogen_Atom_Count	36
13738	TPSA	42.2
33820	Rotatable_Bond_Count	14
11457	Molecular_Weight	202.01
446801	Isotope_Atom_Count	0
21779240	Non-hydrogen_Atom_Count	22
146159250	Undefined_Atom_Stereo_Count	17
91419167	Total_Formal_Charge	0
25271790	Undefined_Bond_Stereo_Count	0
22082546	Rotatable_Bond_Count	2
9688	Structure_Complexity	317
69408	TPSA	35.5
56846240	TPSA	290
116491595	Rotatable_Bond_Count	2
525128	Defined_Atom_Stereo_Count	0
71438255	Undefined_Atom_Stereo_Count	0
6677	Structure_Complexity	818
62724	Undefined_Bond_Stereo_Count	0
5388937	Isotope_Atom_Count	0
162404783	Isotope_Atom_Count	0
23666456	Non-hydrogen_Atom_Count	7
19474	Rotatable_Bond_Count	0
98210	Total_Formal_Charge	0
4579	Exact_Mass	428.32904526
12206	Hydrogen_Bond_Donor_Count	0
25001849	Mono_Isotopic_Weight	428.17723029
141130780	Defined_Bond_Stereo_Count	0
11675994	Defined_Bond_Stereo_Count	0
68739990	Undefined_Atom_Stereo_Count	0
5359271	Undefined_Atom_Stereo_Count	0
3033968	Rotatable_Bond_Count	2
6580	Hydrogen_Bond_Acceptor_Count	1
88239551	Undefined_Bond_Stereo_Count	0
6004	Hydrogen_Bond_Donor_Count	1
984821	Total_Formal_Charge	0
245729	Hydrogen_Bond_Donor_Count	2
689013	XLogP3	3.9
88212048	Molecular_Weight	118.13
30160	Undefined_Atom_Stereo_Count	3
10997120	Defined_Atom_Stereo_Count	0
1551553	XLogP3-AA	0.3
836	Hydrogen_Bond_Acceptor_Count	5
10226546	Hydrogen_Bond_Acceptor_Count	7
15099876	Isotope_Atom_Count	0
1982	Rotatable_Bond_Count	3
21873275	Undefined_Atom_Stereo_Count	0
190	Covalent_Unit_Count	1
2734122	Rotatable_Bond_Count	3
5205	Undefined_Bond_Stereo_Count	0
4427	Undefined_Bond_Stereo_Count	0
178096	Hydrogen_Bond_Acceptor_Count	2
5311304	Non-hydrogen_Atom_Count	26
23665411	Undefined_Bond_Stereo_Count	0
15983549	Covalent_Unit_Count	1
82839	Structure_Complexity	18.3
21343371	Undefined_Bond_Stereo_Count	0
28594	Isotope_Atom_Count	0
24090	TPSA	0
4695	TPSA	132
543880	Undefined_Bond_Stereo_Count	0
91810695	Hydrogen_Bond_Acceptor_Count	16
2009	Hydrogen_Bond_Acceptor_Count	4
3035	Defined_Bond_Stereo_Count	0
5363527	Exact_Mass	226.193280068
10239608	Hydrogen_Bond_Donor_Count	4
69052440	Hydrogen_Bond_Donor_Count	8
3034479	Defined_Atom_Stereo_Count	5
3384	Total_Formal_Charge	0
4552	Exact_Mass	362.04899647
1549065	TPSA	77.6
448979	Tautomer_Count	1
3628	Undefined_Bond_Stereo_Count	0
11422859	Isotope_Atom_Count	0
22280308	Mono_Isotopic_Weight	96.043596145
122174240	Structure_Complexity	529
969152	Defined_Atom_Stereo_Count	0
7851	Defined_Bond_Stereo_Count	0
99334	Hydrogen_Bond_Donor_Count	0
15186998	Undefined_Bond_Stereo_Count	0
13647	Undefined_Atom_Stereo_Count	0
18075	Molecular_Weight	210.23
125889	Hydrogen_Bond_Donor_Count	2
11073538	Isotope_Atom_Count	0
71743	Non-hydrogen_Atom_Count	23
17788563	Covalent_Unit_Count	1
12228440	Rotatable_Bond_Count	3
2853	Rotatable_Bond_Count	8
57548589	Isotope_Atom_Count	0
13559279	Molecular_Weight	433.6
12847949	Tautomer_Count	2
56658438	Rotatable_Bond_Count	10
10027781	Hydrogen_Bond_Donor_Count	4
824609	Mono_Isotopic_Weight	312.0777887
12933751	Hydrogen_Bond_Donor_Count	0
58863	Rotatable_Bond_Count	10
50993881	TPSA	117
42334	Non-hydrogen_Atom_Count	20
7006711	XLogP3	0.1
163455192	Undefined_Atom_Stereo_Count	1
20644245	Molecular_Weight	98.14
170327	XLogP3-AA	7.7
4284331	TPSA	189
424354	Covalent_Unit_Count	1
58044790	Undefined_Atom_Stereo_Count	0
66620431	Structure_Complexity	246
11205717	Covalent_Unit_Count	1
68745835	Hydrogen_Bond_Acceptor_Count	1
10171348	Undefined_Bond_Stereo_Count	0
71969	Covalent_Unit_Count	1
123979022	Rotatable_Bond_Count	0
2803	Tautomer_Count	2
78015	Structure_Complexity	95
439468	Isotope_Atom_Count	0
134688323	Defined_Bond_Stereo_Count	0
98493	Defined_Atom_Stereo_Count	0
15707	Hydrogen_Bond_Acceptor_Count	0
4540	Undefined_Bond_Stereo_Count	0
99807	Rotatable_Bond_Count	7
71518	Exact_Mass	441.08009
44339089	Molecular_Weight	496.7
9547928	TPSA	226
58468319	Molecular_Weight	114.19
102234473	XLogP3-AA	1.8
13191	Isotope_Atom_Count	0
60154326	Non-hydrogen_Atom_Count	24
657238	Exact_Mass	402.20423867
642197	TPSA	0
76216	Defined_Atom_Stereo_Count	0
71356	Molecular_Weight	275.31
779	Total_Formal_Charge	0
582708	Defined_Bond_Stereo_Count	0
288862	TPSA	0
6913	Isotope_Atom_Count	0
154109602	Undefined_Atom_Stereo_Count	2
77996	Total_Formal_Charge	0
67356	Molecular_Weight	510.4
71377	Molecular_Weight	473.4
13652	TPSA	0
43146	Mono_Isotopic_Weight	251.131014166
20169	Molecular_Weight	312.4
66609	Defined_Bond_Stereo_Count	0
5363095	Covalent_Unit_Count	1
5364448	Defined_Bond_Stereo_Count	1
13207481	Mono_Isotopic_Weight	117.078978594
95428	Undefined_Atom_Stereo_Count	1
8026	Hydrogen_Bond_Acceptor_Count	3
12571167	Hydrogen_Bond_Donor_Count	0
13652343	Defined_Bond_Stereo_Count	0
13992155	Hydrogen_Bond_Acceptor_Count	8
157464	Total_Formal_Charge	0
19933114	Exact_Mass	98.073164938
116864150	Non-hydrogen_Atom_Count	8
6881	Structure_Complexity	308
31923	Molecular_Weight	341.5
3722461	Total_Formal_Charge	0
5353521	Exact_Mass	459.24210135
8599	Hydrogen_Bond_Acceptor_Count	7
12735	Defined_Bond_Stereo_Count	0
4278369	Covalent_Unit_Count	1
70240	TPSA	100
25144864	Molecular_Weight	1089.3
141201	Hydrogen_Bond_Donor_Count	0
16237	Non-hydrogen_Atom_Count	13
19778718	Non-hydrogen_Atom_Count	8
57371080	Hydrogen_Bond_Donor_Count	0
51066536	Defined_Atom_Stereo_Count	2
37109	Mono_Isotopic_Weight	100.088815002
10887866	Total_Formal_Charge	0
705645	Total_Formal_Charge	0
2775003	TPSA	49.3
94926	Hydrogen_Bond_Acceptor_Count	4
16978	Hydrogen_Bond_Donor_Count	1
10687	Covalent_Unit_Count	1
9935073	Non-hydrogen_Atom_Count	32
21743	Isotope_Atom_Count	0
4302963	Covalent_Unit_Count	1
10715	Defined_Bond_Stereo_Count	0
201618	Undefined_Atom_Stereo_Count	0
115811143	Defined_Atom_Stereo_Count	0
15558642	Rotatable_Bond_Count	5
16213473	Hydrogen_Bond_Acceptor_Count	8
938021	Defined_Atom_Stereo_Count	1
1801	XLogP3	0.8
7738	Mono_Isotopic_Weight	138.068079557
3083544	Non-hydrogen_Atom_Count	25
21869002	Rotatable_Bond_Count	2
92222	Undefined_Atom_Stereo_Count	0
137326482	Covalent_Unit_Count	1
253602	Total_Formal_Charge	0
277767	TPSA	54.4
37144	Undefined_Atom_Stereo_Count	0
59771	Defined_Atom_Stereo_Count	0
41743	Rotatable_Bond_Count	2
214038	Rotatable_Bond_Count	12
59392023	Hydrogen_Bond_Donor_Count	2
155895288	XLogP3-AA	0
41574	Hydrogen_Bond_Acceptor_Count	5
57473011	Covalent_Unit_Count	1
14570	Hydrogen_Bond_Acceptor_Count	1
88729	Defined_Atom_Stereo_Count	0
4756	Molecular_Weight	213.24
21255244	Total_Formal_Charge	0
83079	Non-hydrogen_Atom_Count	20
4159	Exact_Mass	374.20932405
67242631	Structure_Complexity	161
126970904	Hydrogen_Bond_Donor_Count	1
12511	Undefined_Bond_Stereo_Count	0
20653386	Molecular_Weight	108.14
7931	Hydrogen_Bond_Acceptor_Count	0
984411	TPSA	113
643786	Rotatable_Bond_Count	1
25273237	Mono_Isotopic_Weight	389.20764703
4547	Total_Formal_Charge	0
11934	Tautomer_Count	1
23667628	Isotope_Atom_Count	0
73425700	TPSA	97.3
46214236	Defined_Bond_Stereo_Count	0
5238474	Non-hydrogen_Atom_Count	20
33845	Non-hydrogen_Atom_Count	21
9883259	Tautomer_Count	5
12486323	Mono_Isotopic_Weight	120.078644241
9903970	Undefined_Bond_Stereo_Count	0
8972	Hydrogen_Bond_Donor_Count	1
46900403	Undefined_Atom_Stereo_Count	1
23667626	Covalent_Unit_Count	7
91635	Molecular_Weight	360.9
9818024	Exact_Mass	306.21949481
476260	Undefined_Bond_Stereo_Count	0
28620	Exact_Mass	942.48243013
4767	Covalent_Unit_Count	1
137815	Isotope_Atom_Count	0
49789564	Non-hydrogen_Atom_Count	21
6604796	Covalent_Unit_Count	1
18338555	TPSA	61.7
91612585	Undefined_Bond_Stereo_Count	0
3486729	Total_Formal_Charge	0
11126249	Mono_Isotopic_Weight	124.088815002
57249770	TPSA	54.4
22975832	Non-hydrogen_Atom_Count	7
15972136	Hydrogen_Bond_Donor_Count	0
91395	Exact_Mass	555.12596855
11990	TPSA	52
134976	Molecular_Weight	222.24
22954661	Hydrogen_Bond_Acceptor_Count	2
20448998	TPSA	52
21339024	Defined_Atom_Stereo_Count	0
36604	XLogP3	2.1
18428533	Undefined_Atom_Stereo_Count	0
8710	Covalent_Unit_Count	1
53786	Molecular_Weight	370.4
57401369	Isotope_Atom_Count	0
5375785	Hydrogen_Bond_Donor_Count	0
157690	Total_Formal_Charge	0
135430945	Covalent_Unit_Count	2
6971	Hydrogen_Bond_Donor_Count	2
545127	Hydrogen_Bond_Donor_Count	0
492	Undefined_Atom_Stereo_Count	0
10256440	Non-hydrogen_Atom_Count	38
16719220	Defined_Bond_Stereo_Count	0
2775941	XLogP3-AA	9.4
93738	Total_Formal_Charge	0
8627	Exact_Mass	804.04570957
7766	XLogP3	1.2
104150	Undefined_Atom_Stereo_Count	0
5281884	Defined_Bond_Stereo_Count	1
17881	Undefined_Atom_Stereo_Count	0
4336	Mono_Isotopic_Weight	381.23376515
16584	Structure_Complexity	129
12936730	Non-hydrogen_Atom_Count	8
6477182	Molecular_Weight	396.4
8264	Total_Formal_Charge	0
23090352	Defined_Bond_Stereo_Count	0
40945	Covalent_Unit_Count	1
6931238	Hydrogen_Bond_Acceptor_Count	2
58902739	Isotope_Atom_Count	0
77262	Defined_Bond_Stereo_Count	0
1222	Hydrogen_Bond_Donor_Count	3
217049	Exact_Mass	545.20047090
519112	Mono_Isotopic_Weight	600.14924298
5274428	Hydrogen_Bond_Donor_Count	2
96129	Undefined_Atom_Stereo_Count	0
448513	Molecular_Weight	150.18
15050	Molecular_Weight	120.15
4224798	Non-hydrogen_Atom_Count	10
11731903	Exact_Mass	391.00951716
23695850	Isotope_Atom_Count	0
134270	XLogP3-AA	0.8
118161592	Defined_Bond_Stereo_Count	0
398569	Mono_Isotopic_Weight	315.14705815
99748	Structure_Complexity	106
4261	XLogP3-AA	2
69627068	Non-hydrogen_Atom_Count	8
39665	Isotope_Atom_Count	0
12328	Covalent_Unit_Count	1
3022	Defined_Bond_Stereo_Count	0
51025660	Isotope_Atom_Count	0
224001	Isotope_Atom_Count	0
69317	Defined_Bond_Stereo_Count	0
20240	Undefined_Atom_Stereo_Count	0
143888994	Isotope_Atom_Count	0
93092	TPSA	24.7
66295	Exact_Mass	84.057514874
83899	Isotope_Atom_Count	0
48758	Rotatable_Bond_Count	3
69253625	Structure_Complexity	86.5
5001396	Hydrogen_Bond_Donor_Count	0
11629084	Structure_Complexity	1290
2442	Exact_Mass	375.99727
317852	Structure_Complexity	434
7416	XLogP3	1.9
13418386	Mono_Isotopic_Weight	112.100048391
118689592	Mono_Isotopic_Weight	665.30474055
5365794	Tautomer_Count	1
13528037	Mono_Isotopic_Weight	499.9470097
70141017	XLogP3-AA	1.7
9776841	XLogP3-AA	8.9
2453	Mono_Isotopic_Weight	300.87379
70922	Molecular_Weight	88.07
5463411	Total_Formal_Charge	0
1708	XLogP3-AA	1.6
58291777	Rotatable_Bond_Count	2
124762103	Non-hydrogen_Atom_Count	23
53656122	Exact_Mass	177.07495584
5783	Defined_Atom_Stereo_Count	0
21040078	Covalent_Unit_Count	1
13290	Rotatable_Bond_Count	8
12389638	Molecular_Weight	94.15
3553	Undefined_Atom_Stereo_Count	8
14656	Tautomer_Count	2
23338787	Total_Formal_Charge	0
119098022	Covalent_Unit_Count	1
20264925	Hydrogen_Bond_Acceptor_Count	2
8629	Undefined_Atom_Stereo_Count	0
135564558	Mono_Isotopic_Weight	395.20697307
87478594	Non-hydrogen_Atom_Count	8
72034	Tautomer_Count	81
90488850	Undefined_Bond_Stereo_Count	1
27826	Undefined_Bond_Stereo_Count	0
64108	Isotope_Atom_Count	0
61370	Exact_Mass	100.088815002
13200773	Defined_Atom_Stereo_Count	0
53910819	Hydrogen_Bond_Donor_Count	0
23663963	Defined_Atom_Stereo_Count	0
12540922	Exact_Mass	112.088815002
19802062	Exact_Mass	101.047678466
92333	Undefined_Bond_Stereo_Count	0
9254	Defined_Atom_Stereo_Count	0
17755052	Non-hydrogen_Atom_Count	35
447213	Total_Formal_Charge	0
2734163	Non-hydrogen_Atom_Count	13
5081356	Structure_Complexity	1080
9971	Mono_Isotopic_Weight	155.03825660
66036969	Molecular_Weight	112.13
12155512	Rotatable_Bond_Count	2
11768526	Undefined_Bond_Stereo_Count	0
22182162	Undefined_Atom_Stereo_Count	0
158895	Exact_Mass	338.12665706
9964065	Isotope_Atom_Count	0
5356789	XLogP3	7.6
959353	Undefined_Atom_Stereo_Count	0
78931	Hydrogen_Bond_Acceptor_Count	2
107669	Non-hydrogen_Atom_Count	14
136703	Molecular_Weight	114.10
263076	Covalent_Unit_Count	1
73216	Total_Formal_Charge	0
49769064	Defined_Atom_Stereo_Count	10
23083536	Mono_Isotopic_Weight	110.109550447
734884	Undefined_Atom_Stereo_Count	0
22676885	Hydrogen_Bond_Acceptor_Count	2
3766139	Rotatable_Bond_Count	8
24749711	Covalent_Unit_Count	1
6437064	Exact_Mass	688.39751874
57394389	Defined_Bond_Stereo_Count	0
62275	Isotope_Atom_Count	0
16700308	Undefined_Atom_Stereo_Count	0
9940086	TPSA	174
82326	Undefined_Bond_Stereo_Count	0
5839	Undefined_Bond_Stereo_Count	0
14784415	Molecular_Weight	97.12
13597991	Hydrogen_Bond_Donor_Count	2
30924	Exact_Mass	163.099714038
3077451	Non-hydrogen_Atom_Count	8
6918584	Molecular_Weight	2178.0
573612	Total_Formal_Charge	0
92722	Defined_Atom_Stereo_Count	3
74956	Non-hydrogen_Atom_Count	7
11697219	Rotatable_Bond_Count	7
71464628	Non-hydrogen_Atom_Count	30
57892450	Hydrogen_Bond_Donor_Count	1
72860	TPSA	9.2
10407503	Rotatable_Bond_Count	4
25084151	Hydrogen_Bond_Donor_Count	16
12671783	XLogP3-AA	0.9
65506	Mono_Isotopic_Weight	536.30172086
40666	Structure_Complexity	299
2777109	Isotope_Atom_Count	0
12313170	TPSA	158
12304	Hydrogen_Bond_Donor_Count	0
20438510	Exact_Mass	98.084398327
71315333	Undefined_Bond_Stereo_Count	0
248898	Defined_Bond_Stereo_Count	0
94811	Covalent_Unit_Count	1
23673837	Hydrogen_Bond_Donor_Count	0
24726	TPSA	0
78566	Isotope_Atom_Count	0
40273	Defined_Bond_Stereo_Count	0
45116684	Hydrogen_Bond_Acceptor_Count	3
39722	Molecular_Weight	255.74
64865	Exact_Mass	292.215078140
654	Tautomer_Count	1
11967809	Defined_Atom_Stereo_Count	0
77232	Undefined_Atom_Stereo_Count	0
51803	Molecular_Weight	365.82
23552407	Defined_Atom_Stereo_Count	0
46224600	Exact_Mass	1633.5887776
61329	Total_Formal_Charge	0
7751	Mono_Isotopic_Weight	122.0134572
101239377	Undefined_Bond_Stereo_Count	0
20691	Exact_Mass	284.282763776
9630	Total_Formal_Charge	0
10975412	Tautomer_Count	1
11715767	XLogP3-AA	0.6
35384	Defined_Atom_Stereo_Count	0
155794	Hydrogen_Bond_Donor_Count	1
86063	Rotatable_Bond_Count	2
101684738	Hydrogen_Bond_Donor_Count	1
661938	Non-hydrogen_Atom_Count	31
16682935	Rotatable_Bond_Count	0
10171348	Rotatable_Bond_Count	2
6917700	XLogP3-AA	1.8
89125265	Structure_Complexity	153
139060618	Undefined_Bond_Stereo_Count	0
667467	XLogP3	5.2
10772947	Structure_Complexity	133
8381	XLogP3-AA	3.3
15206928	Hydrogen_Bond_Acceptor_Count	2
12486323	Isotope_Atom_Count	0
15239624	Undefined_Atom_Stereo_Count	0
8001	Mono_Isotopic_Weight	199.88363
10898649	Structure_Complexity	64
75903	Molecular_Weight	330.3
223407	Non-hydrogen_Atom_Count	21
69787	Undefined_Atom_Stereo_Count	0
522131	Hydrogen_Bond_Donor_Count	1
17690	TPSA	0
53893636	Hydrogen_Bond_Donor_Count	1
12527495	Defined_Bond_Stereo_Count	0
10004622	Non-hydrogen_Atom_Count	34
740	Covalent_Unit_Count	1
91276	Molecular_Weight	306.4
14523627	Non-hydrogen_Atom_Count	28
242912	Undefined_Bond_Stereo_Count	0
61144	Structure_Complexity	85.4
74764517	Defined_Atom_Stereo_Count	0
143342009	Molecular_Weight	95.14
61158	Hydrogen_Bond_Donor_Count	2
134694073	Non-hydrogen_Atom_Count	30
27244	XLogP3	2.6
10820564	Defined_Atom_Stereo_Count	0
7156899	Exact_Mass	342.11621151
23080859	Non-hydrogen_Atom_Count	8
11355447	Tautomer_Count	1
14577080	Total_Formal_Charge	0
552549	Defined_Bond_Stereo_Count	0
77441779	Rotatable_Bond_Count	2
5354499	Hydrogen_Bond_Donor_Count	0
163900	Mono_Isotopic_Weight	132.078644241
69061828	Undefined_Bond_Stereo_Count	0
16296	TPSA	26.3
11508	Defined_Atom_Stereo_Count	0
101461666	Exact_Mass	330.03191198
9877351	Isotope_Atom_Count	0
39230	Rotatable_Bond_Count	4
5289418	Exact_Mass	296.11609238
16016	Defined_Bond_Stereo_Count	0
152821976	Isotope_Atom_Count	0
31211	Molecular_Weight	194.23
21873275	Isotope_Atom_Count	0
125889	Exact_Mass	159.125928785
11115983	Covalent_Unit_Count	1
134826704	Exact_Mass	1142.51450758
21490219	Non-hydrogen_Atom_Count	7
54507095	Non-hydrogen_Atom_Count	8
9794159	TPSA	114
6780	TPSA	34.1
134688323	Total_Formal_Charge	0
5311360	Tautomer_Count	1
70269	Tautomer_Count	9
91734	TPSA	58.2
5351564	Non-hydrogen_Atom_Count	24
544588	Structure_Complexity	96.4
7750121	TPSA	29.1
12431744	Mono_Isotopic_Weight	92.026214747
91697	Structure_Complexity	179
6999971	Mono_Isotopic_Weight	114.02924926
279506	TPSA	57.5
12559	Exact_Mass	1017.73277158
71437196	Exact_Mass	470.19162313
17567	Total_Formal_Charge	0
53249491	Molecular_Weight	185.2
69605	Defined_Atom_Stereo_Count	0
43260	Rotatable_Bond_Count	4
35654	Defined_Bond_Stereo_Count	0
123976	XLogP3-AA	7.1
61973	Undefined_Atom_Stereo_Count	1
10898	Covalent_Unit_Count	1
3682	Isotope_Atom_Count	0
57750369	Structure_Complexity	708
106	Exact_Mass	185.00892397
13042689	Non-hydrogen_Atom_Count	8
634423	Structure_Complexity	835
71080	Non-hydrogen_Atom_Count	6
176015	Total_Formal_Charge	0
63985	Structure_Complexity	763
23695850	Undefined_Bond_Stereo_Count	0
100472	Structure_Complexity	343
28532	Hydrogen_Bond_Acceptor_Count	4
21594228	Hydrogen_Bond_Acceptor_Count	7
129630422	Structure_Complexity	1410
25001850	Undefined_Atom_Stereo_Count	0
5282242	Molecular_Weight	410.4
22222161	Isotope_Atom_Count	0
71681009	Covalent_Unit_Count	1
66082	Tautomer_Count	3
83966	Molecular_Weight	331.32
79856	Mono_Isotopic_Weight	166.062994177
5509	Structure_Complexity	347
53632493	Undefined_Atom_Stereo_Count	2
7716	Exact_Mass	218.203450829
10329273	Defined_Bond_Stereo_Count	0
5966	Non-hydrogen_Atom_Count	40
13807316	Isotope_Atom_Count	0
4171	Exact_Mass	267.18344366
94781	Tautomer_Count	1
55287377	Structure_Complexity	94.4
4792	Undefined_Atom_Stereo_Count	8
87595695	Rotatable_Bond_Count	3
17028077	Hydrogen_Bond_Acceptor_Count	3
21798	Defined_Bond_Stereo_Count	0
696858	Undefined_Bond_Stereo_Count	1
69147	Total_Formal_Charge	0
1999	Defined_Bond_Stereo_Count	0
351770	Undefined_Bond_Stereo_Count	0
17959664	TPSA	53.8
23247721	Defined_Atom_Stereo_Count	2
135398737	Defined_Atom_Stereo_Count	0
5353356	Exact_Mass	198.03890469
107640	Molecular_Weight	682.8
12510929	Non-hydrogen_Atom_Count	8
21020205	Defined_Atom_Stereo_Count	0
5827	Defined_Bond_Stereo_Count	0
20333386	Exact_Mass	141.115364102
2161	Non-hydrogen_Atom_Count	22
45266598	Undefined_Atom_Stereo_Count	0
68741938	Total_Formal_Charge	0
637760	Hydrogen_Bond_Donor_Count	0
56675694	Non-hydrogen_Atom_Count	28
12250944	Defined_Bond_Stereo_Count	0
7896	Undefined_Atom_Stereo_Count	1
44311686	Exact_Mass	349.0829337
2283	TPSA	556
67598	Mono_Isotopic_Weight	203.99826287
4560	Exact_Mass	375.98604
69994	Rotatable_Bond_Count	2
143647928	Mono_Isotopic_Weight	97.052763847
60196393	Covalent_Unit_Count	2
16907	Defined_Bond_Stereo_Count	0
3417	Defined_Bond_Stereo_Count	0
135516644	Rotatable_Bond_Count	3
78012803	Non-hydrogen_Atom_Count	24
3635	TPSA	77.9
6917773	Non-hydrogen_Atom_Count	33
7076	Undefined_Atom_Stereo_Count	0
15450	Covalent_Unit_Count	1
170993	TPSA	26.3
66815	Defined_Bond_Stereo_Count	0
471895	Structure_Complexity	752
134018	Mono_Isotopic_Weight	316.08816355
87081618	Total_Formal_Charge	0
2801525	Rotatable_Bond_Count	2
6918837	Exact_Mass	349.17902698
89590	Molecular_Weight	164.20
46184986	Covalent_Unit_Count	1
15210994	Defined_Atom_Stereo_Count	0
21715587	Undefined_Bond_Stereo_Count	0
23565355	Molecular_Weight	100.16
442882	Defined_Atom_Stereo_Count	0
55286809	Hydrogen_Bond_Acceptor_Count	2
61059	Mono_Isotopic_Weight	210.00205114
115237	Undefined_Bond_Stereo_Count	0
489236	Total_Formal_Charge	0
448011	Undefined_Bond_Stereo_Count	0
18410302	Defined_Atom_Stereo_Count	0
62403	Molecular_Weight	712.7
86186	Covalent_Unit_Count	1
22243070	Total_Formal_Charge	0
134158431	Exact_Mass	245.16270821
76922	Undefined_Bond_Stereo_Count	0
4409936	Hydrogen_Bond_Donor_Count	0
105426931	Covalent_Unit_Count	1
70652	Structure_Complexity	188
19768091	Isotope_Atom_Count	0
6279	Covalent_Unit_Count	1
589863	Hydrogen_Bond_Donor_Count	0
5287541	Exact_Mass	309.06709375
236702	Total_Formal_Charge	0
11093	Defined_Bond_Stereo_Count	0
135391135	Non-hydrogen_Atom_Count	29
60165655	Structure_Complexity	308
71433469	Hydrogen_Bond_Acceptor_Count	2
67505	Molecular_Weight	136.18
445420	Total_Formal_Charge	0
444346	XLogP3-AA	0.6
20158038	Hydrogen_Bond_Acceptor_Count	1
48758	Hydrogen_Bond_Acceptor_Count	3
180559	Exact_Mass	266.16304257
5281650	Undefined_Atom_Stereo_Count	0
70400	Hydrogen_Bond_Donor_Count	0
53952865	Undefined_Bond_Stereo_Count	0
657250	Non-hydrogen_Atom_Count	47
97868	XLogP3	1.6
6420074	Tautomer_Count	2
11744644	Molecular_Weight	453.5
66374	Covalent_Unit_Count	1
123691367	TPSA	20.2
439231	Undefined_Bond_Stereo_Count	0
10090192	Molecular_Weight	364.5
18760539	Undefined_Bond_Stereo_Count	0
67651264	Rotatable_Bond_Count	2
90754	Covalent_Unit_Count	1
51003497	Non-hydrogen_Atom_Count	38
55300572	Structure_Complexity	126
76957520	Undefined_Atom_Stereo_Count	0
83444	Exact_Mass	242.123925117
870718	Defined_Atom_Stereo_Count	1
12816253	Molecular_Weight	117.15
29921593	Non-hydrogen_Atom_Count	23
70978	XLogP3-AA	1
134688371	Undefined_Atom_Stereo_Count	0
81920	Total_Formal_Charge	0
123348667	TPSA	20.3
3078952	Molecular_Weight	254.26
13738257	Structure_Complexity	141
83528703	Hydrogen_Bond_Donor_Count	2
18442764	Undefined_Bond_Stereo_Count	0
91435	Rotatable_Bond_Count	0
74353448	Mono_Isotopic_Weight	556.18755704
68840	Hydrogen_Bond_Acceptor_Count	1
6436449	Structure_Complexity	432
62760	Total_Formal_Charge	0
8351	Structure_Complexity	229
1241420	Mono_Isotopic_Weight	173.10519334
121296846	Hydrogen_Bond_Acceptor_Count	2
17605	Non-hydrogen_Atom_Count	13
115234	Molecular_Weight	500.8
11936	XLogP3	5.1
519726	Exact_Mass	111.079647300
824060	Exact_Mass	267.06194637
131737226	Molecular_Weight	308.92
3225	Hydrogen_Bond_Donor_Count	2
57667	Undefined_Bond_Stereo_Count	0
44571221	Structure_Complexity	570
135297777	Defined_Atom_Stereo_Count	0
59157244	Exact_Mass	114.104465066
67204829	Total_Formal_Charge	0
89	Tautomer_Count	21
9254	Hydrogen_Bond_Acceptor_Count	2
15057	Covalent_Unit_Count	2
5976	Exact_Mass	60.068748264
12303783	TPSA	69.9
9961192	Hydrogen_Bond_Acceptor_Count	9
15250	Exact_Mass	192.115029749
289151	Isotope_Atom_Count	0
10569	XLogP3-AA	4.8
19016756	Molecular_Weight	100.08
92163	TPSA	41.1
123347622	TPSA	21.9
10947	Covalent_Unit_Count	1
53315818	Hydrogen_Bond_Donor_Count	2
281135	Isotope_Atom_Count	0
1084	Defined_Bond_Stereo_Count	0
82953	Exact_Mass	268.019149
16120	Isotope_Atom_Count	0
39732	XLogP3	6.3
11105314	Mono_Isotopic_Weight	97.052763847
6316	Exact_Mass	260.0927701
139595130	Hydrogen_Bond_Acceptor_Count	16
39184	TPSA	91.6
123146	Defined_Atom_Stereo_Count	0
78904	Covalent_Unit_Count	1
7143	Hydrogen_Bond_Donor_Count	1
9574960	XLogP3-AA	2.3
638072	Hydrogen_Bond_Acceptor_Count	0
834519	Undefined_Atom_Stereo_Count	0
55289898	Total_Formal_Charge	0
139338	Defined_Bond_Stereo_Count	0
3579812	Defined_Bond_Stereo_Count	0
705715	Molecular_Weight	287.33
16717	Structure_Complexity	149
3025961	Defined_Atom_Stereo_Count	0
23675947	Structure_Complexity	437
13450501	TPSA	0
90936519	Structure_Complexity	2330
85939688	Non-hydrogen_Atom_Count	18
643203	Undefined_Bond_Stereo_Count	0
398635	Covalent_Unit_Count	1
129856713	Molecular_Weight	176.14
15230353	XLogP3-AA	3.9
13889162	Rotatable_Bond_Count	5
301567	Covalent_Unit_Count	1
45356230	Hydrogen_Bond_Acceptor_Count	2
119097406	Covalent_Unit_Count	1
76430	Total_Formal_Charge	0
10781	Defined_Atom_Stereo_Count	0
34208	Covalent_Unit_Count	1
15604	Tautomer_Count	1
13019068	Defined_Atom_Stereo_Count	3
20662793	Isotope_Atom_Count	0
14078850	Covalent_Unit_Count	1
6710664	Rotatable_Bond_Count	5
130770920	Hydrogen_Bond_Acceptor_Count	2
23552407	Hydrogen_Bond_Acceptor_Count	2
9931954	TPSA	56.9
5771	Defined_Bond_Stereo_Count	0
694728	Defined_Atom_Stereo_Count	0
3533588	Defined_Bond_Stereo_Count	0
59755734	TPSA	3.2
103984	Rotatable_Bond_Count	6
82607	Undefined_Bond_Stereo_Count	0
24755478	Exact_Mass	434.22776808
83904774	XLogP3-AA	0.2
12243027	Exact_Mass	100.063662883
45227	Isotope_Atom_Count	0
314282	Hydrogen_Bond_Donor_Count	1
11137890	Undefined_Atom_Stereo_Count	0
86389	Non-hydrogen_Atom_Count	26
11377266	Exact_Mass	652.25532631
85784776	Molecular_Weight	182.14
5736	Molecular_Weight	331.9
14012	Hydrogen_Bond_Acceptor_Count	6
443369	Total_Formal_Charge	0
70723	Hydrogen_Bond_Acceptor_Count	1
3833333	Undefined_Atom_Stereo_Count	1
3032306	Defined_Atom_Stereo_Count	0
208916	Non-hydrogen_Atom_Count	14
21638785	Mono_Isotopic_Weight	263.0825398
12618	Rotatable_Bond_Count	2
694041	Total_Formal_Charge	0
2322334	TPSA	52.7
136648	Tautomer_Count	1
40473182	Structure_Complexity	179
12739608	Hydrogen_Bond_Donor_Count	0
9870785	Isotope_Atom_Count	0
79004	Structure_Complexity	23.6
91411367	Hydrogen_Bond_Acceptor_Count	0
21057641	Covalent_Unit_Count	1
25271810	Undefined_Atom_Stereo_Count	0
54303301	Exact_Mass	96.093900383
2955	Total_Formal_Charge	0
2062	Rotatable_Bond_Count	6
5491930	Covalent_Unit_Count	1
2968	Total_Formal_Charge	2
12738	Structure_Complexity	574
16231	Covalent_Unit_Count	1
21157625	Undefined_Bond_Stereo_Count	0
5249080	Defined_Bond_Stereo_Count	0
9799246	Hydrogen_Bond_Donor_Count	0
24864463	TPSA	72.8
68321727	Defined_Bond_Stereo_Count	0
67258371	Structure_Complexity	85.8
529287	Defined_Bond_Stereo_Count	0
9864202	Total_Formal_Charge	0
57391720	TPSA	115
53940807	Undefined_Atom_Stereo_Count	0
119205	Isotope_Atom_Count	0
86076207	Structure_Complexity	325
16158103	Undefined_Bond_Stereo_Count	0
116821924	Molecular_Weight	99.17
439918	Exact_Mass	175.05930578
9915	Hydrogen_Bond_Acceptor_Count	2
11403482	Non-hydrogen_Atom_Count	20
4934	Undefined_Bond_Stereo_Count	0
19702729	Hydrogen_Bond_Acceptor_Count	3
5372194	Covalent_Unit_Count	1
73357753	TPSA	89
16049160	Defined_Atom_Stereo_Count	1
69932654	Hydrogen_Bond_Acceptor_Count	3
687604	Non-hydrogen_Atom_Count	20
42890	Undefined_Bond_Stereo_Count	0
22134406	Hydrogen_Bond_Acceptor_Count	3
24884255	Non-hydrogen_Atom_Count	22
25271818	Molecular_Weight	337.4
6994	Mono_Isotopic_Weight	122.073164938
22998467	Covalent_Unit_Count	1
11858	Exact_Mass	164.0240218
64032	Covalent_Unit_Count	3
6433513	Total_Formal_Charge	0
129826870	Defined_Bond_Stereo_Count	0
5650	Undefined_Bond_Stereo_Count	0
338733	Covalent_Unit_Count	1
87162901	Isotope_Atom_Count	0
5489029	Isotope_Atom_Count	0
424893	TPSA	128
63952	TPSA	90.8
31362	Isotope_Atom_Count	0
11105655	Hydrogen_Bond_Acceptor_Count	2
29739	Mono_Isotopic_Weight	296.16237386
11643980	Non-hydrogen_Atom_Count	11
54949	Hydrogen_Bond_Acceptor_Count	15
91027594	TPSA	0
44237	Defined_Bond_Stereo_Count	0
9002	Rotatable_Bond_Count	2
53320156	Covalent_Unit_Count	1
2691	XLogP3-AA	0.5
24916897	Defined_Atom_Stereo_Count	4
78457	Undefined_Atom_Stereo_Count	0
649852	Defined_Atom_Stereo_Count	0
13438401	Non-hydrogen_Atom_Count	8
10167713	Undefined_Bond_Stereo_Count	0
129634850	Non-hydrogen_Atom_Count	7
23615430	Non-hydrogen_Atom_Count	16
6433095	Isotope_Atom_Count	0
147201521	TPSA	3
37271	Mono_Isotopic_Weight	237.10010796
66105	TPSA	0
98685	Exact_Mass	240.126263138
100165	Rotatable_Bond_Count	0
146382	Undefined_Bond_Stereo_Count	2
49652	Total_Formal_Charge	0
6114	Covalent_Unit_Count	2
85542	Total_Formal_Charge	0
98051220	Defined_Bond_Stereo_Count	0
28803	Molecular_Weight	302.32
101080369	Non-hydrogen_Atom_Count	3
16211761	XLogP3-AA	6.1
62323	Defined_Bond_Stereo_Count	0
20823772	Undefined_Atom_Stereo_Count	0
6496	Covalent_Unit_Count	1
42710	Total_Formal_Charge	0
15566577	XLogP3-AA	0
4257	Rotatable_Bond_Count	4
50294	Hydrogen_Bond_Donor_Count	2
54677946	Isotope_Atom_Count	0
129829002	Rotatable_Bond_Count	0
21910000	Total_Formal_Charge	0
87703	TPSA	61.8
25019940	Isotope_Atom_Count	0
123922025	Non-hydrogen_Atom_Count	8
56840904	Mono_Isotopic_Weight	639.95350
11658655	Undefined_Bond_Stereo_Count	0
93798	Defined_Bond_Stereo_Count	0
80308	Hydrogen_Bond_Acceptor_Count	2
129627816	Undefined_Bond_Stereo_Count	0
6420039	Non-hydrogen_Atom_Count	21
12563	Exact_Mass	168.093900383
16212480	Rotatable_Bond_Count	18
19601937	Defined_Bond_Stereo_Count	0
2106900	Total_Formal_Charge	0
5367460	Covalent_Unit_Count	1
85673900	Mono_Isotopic_Weight	98.084398327
11953895	Mono_Isotopic_Weight	297.948962
5274	Isotope_Atom_Count	0
3578945	Undefined_Atom_Stereo_Count	0
141169621	Undefined_Bond_Stereo_Count	0
17014	XLogP3-AA	3
12132667	Isotope_Atom_Count	0
97869	Defined_Bond_Stereo_Count	0
3328	Non-hydrogen_Atom_Count	20
16211654	Hydrogen_Bond_Acceptor_Count	1
71720884	Rotatable_Bond_Count	4
7405	Non-hydrogen_Atom_Count	9
54012932	Undefined_Atom_Stereo_Count	2
24759089	Undefined_Atom_Stereo_Count	0
6433117	Exact_Mass	392.20999276
9948894	Non-hydrogen_Atom_Count	22
12476101	XLogP3-AA	2.7
11006	Defined_Bond_Stereo_Count	0
283813	TPSA	29.1
81059	Hydrogen_Bond_Donor_Count	4
11622593	Defined_Bond_Stereo_Count	0
2372	Mono_Isotopic_Weight	345.19400834
6919	Mono_Isotopic_Weight	112.016043985
3549980	TPSA	40.1
93374	Undefined_Atom_Stereo_Count	0
92211533	Non-hydrogen_Atom_Count	25
91419082	Undefined_Bond_Stereo_Count	0
4865	Covalent_Unit_Count	1
449435	Covalent_Unit_Count	1
10343454	Hydrogen_Bond_Donor_Count	1
5894	Total_Formal_Charge	0
12940701	Rotatable_Bond_Count	7
991	XLogP3	3.8
52945794	Mono_Isotopic_Weight	293.19909372
721947	Exact_Mass	332.9838118
6880	XLogP3	1.9
12544552	Rotatable_Bond_Count	3
141758017	Exact_Mass	116.047344113
71309918	Rotatable_Bond_Count	4
11620055	Molecular_Weight	487.0
53956489	Rotatable_Bond_Count	3
16682930	Hydrogen_Bond_Acceptor_Count	0
12519786	Structure_Complexity	127
17787271	Covalent_Unit_Count	1
20056743	Defined_Atom_Stereo_Count	0
115034	Undefined_Atom_Stereo_Count	0
44339100	Undefined_Atom_Stereo_Count	0
51814	Total_Formal_Charge	0
6881	Non-hydrogen_Atom_Count	19
66863	Hydrogen_Bond_Acceptor_Count	6
12349471	Undefined_Bond_Stereo_Count	0
202050	Hydrogen_Bond_Acceptor_Count	1
67184	TPSA	37.4
21599	Undefined_Atom_Stereo_Count	0
7857	Hydrogen_Bond_Donor_Count	1
101120059	Mono_Isotopic_Weight	268.125200510
16907	Total_Formal_Charge	0
4827	Exact_Mass	479.17835
57395613	XLogP3-AA	4.2
70691405	Defined_Bond_Stereo_Count	0
123200332	Defined_Atom_Stereo_Count	0
65388	Hydrogen_Bond_Acceptor_Count	5
14066	Molecular_Weight	102.13
592645	Non-hydrogen_Atom_Count	12
10310138	Isotope_Atom_Count	0
564654	Defined_Bond_Stereo_Count	0
17806	Exact_Mass	294.25319498
84567	Structure_Complexity	245
37910	Defined_Atom_Stereo_Count	0
35368	Total_Formal_Charge	0
23545554	Defined_Atom_Stereo_Count	0
6374	Non-hydrogen_Atom_Count	4
66156	Tautomer_Count	1
4026	Covalent_Unit_Count	1
6919051	Covalent_Unit_Count	1
3382778	Hydrogen_Bond_Acceptor_Count	8
55285439	Mono_Isotopic_Weight	99.068413911
10214380	Exact_Mass	109.052763847
16224456	Hydrogen_Bond_Acceptor_Count	7
134688573	Molecular_Weight	496.6
15533	Isotope_Atom_Count	0
28565	Hydrogen_Bond_Donor_Count	2
59055623	TPSA	0
130443287	Hydrogen_Bond_Donor_Count	5
8003	Defined_Atom_Stereo_Count	0
44246529	Hydrogen_Bond_Donor_Count	2
11586735	Defined_Atom_Stereo_Count	0
23667568	Hydrogen_Bond_Acceptor_Count	4
2921148	Isotope_Atom_Count	0
3249	Molecular_Weight	396.6
11062432	Total_Formal_Charge	0
97065	XLogP3-AA	4
691409	Exact_Mass	319.06267708
25244048	Covalent_Unit_Count	1
2532	Non-hydrogen_Atom_Count	26
3527720	Hydrogen_Bond_Donor_Count	3
185682	Molecular_Weight	83.09
67247971	TPSA	75.3
27552	Covalent_Unit_Count	1
44348	Tautomer_Count	1
12284127	Isotope_Atom_Count	0
165649752	Isotope_Atom_Count	0
16682746	TPSA	9.2
1302	Exact_Mass	230.094294304
56149	Non-hydrogen_Atom_Count	15
6842999	Hydrogen_Bond_Donor_Count	0
141281	Exact_Mass	82.041864811
5462508	TPSA	61.7
23677960	TPSA	81.6
22563	Total_Formal_Charge	0
23545756	TPSA	24.4
3054073	Rotatable_Bond_Count	0
22166430	Covalent_Unit_Count	1
12768628	Defined_Atom_Stereo_Count	0
78131	Undefined_Bond_Stereo_Count	0
71309	Undefined_Atom_Stereo_Count	0
85695	Undefined_Bond_Stereo_Count	0
57370827	Rotatable_Bond_Count	0
126969105	XLogP3	3.7
11560	Undefined_Atom_Stereo_Count	0
14796	Mono_Isotopic_Weight	105.9110070
118855860	Undefined_Bond_Stereo_Count	0
42231	Undefined_Atom_Stereo_Count	0
4248	Rotatable_Bond_Count	12
56020	Covalent_Unit_Count	1
10781	Structure_Complexity	274
73278	Covalent_Unit_Count	1
2812	Mono_Isotopic_Weight	344.1080262
65837	Covalent_Unit_Count	1
6356	Mono_Isotopic_Weight	68.0045147
65814	Covalent_Unit_Count	1
53815669	Non-hydrogen_Atom_Count	7
58024981	Exact_Mass	113.058911855
24964624	Hydrogen_Bond_Acceptor_Count	4
101289807	Hydrogen_Bond_Donor_Count	0
171296	Hydrogen_Bond_Donor_Count	1
66503	Hydrogen_Bond_Donor_Count	2
25249	Rotatable_Bond_Count	0
91697	Non-hydrogen_Atom_Count	12
131204	Rotatable_Bond_Count	6
60148392	Mono_Isotopic_Weight	403.09397682
4451502	Rotatable_Bond_Count	2
163000376	Total_Formal_Charge	0
7	Mono_Isotopic_Weight	163.08579531
76735	TPSA	139
11060054	Rotatable_Bond_Count	20
15276695	Hydrogen_Bond_Donor_Count	0
59073	Hydrogen_Bond_Acceptor_Count	3
443872	Total_Formal_Charge	0
3350	Hydrogen_Bond_Donor_Count	2
77286	Covalent_Unit_Count	1
67374621	Exact_Mass	398.17427596
18922	Rotatable_Bond_Count	0
7496	XLogP3-AA	3.7
1130	Mono_Isotopic_Weight	265.11230735
100915014	Structure_Complexity	207
6258	Defined_Atom_Stereo_Count	0
548353	Covalent_Unit_Count	1
10347891	Total_Formal_Charge	0
20157043	Rotatable_Bond_Count	0
5702077	Covalent_Unit_Count	1
2724123	Mono_Isotopic_Weight	111.068413911
3033972	Covalent_Unit_Count	1
15788279	Undefined_Bond_Stereo_Count	0
25256833	Non-hydrogen_Atom_Count	20
694648	XLogP3-AA	3.6
639662	Structure_Complexity	44
91824766	Molecular_Weight	1553.8
6326288	Non-hydrogen_Atom_Count	8
129	Defined_Atom_Stereo_Count	0
444865	Isotope_Atom_Count	0
66130	Defined_Bond_Stereo_Count	0
60602	Structure_Complexity	1100
31842	Undefined_Atom_Stereo_Count	5
11619519	TPSA	94.2
16719	Total_Formal_Charge	0
15627	Molecular_Weight	160.25
29971	Covalent_Unit_Count	1
6436059	Defined_Bond_Stereo_Count	2
44562	Hydrogen_Bond_Acceptor_Count	3
65376195	Hydrogen_Bond_Donor_Count	0
11074	Undefined_Bond_Stereo_Count	0
59422203	TPSA	95.6
10862733	Rotatable_Bond_Count	0
66636	Mono_Isotopic_Weight	232.08479225
6713960	Rotatable_Bond_Count	6
527511	Hydrogen_Bond_Acceptor_Count	0
6896	Structure_Complexity	80.6
10086446	Hydrogen_Bond_Donor_Count	0
40218	Isotope_Atom_Count	0
94355	Total_Formal_Charge	0
154091255	Undefined_Bond_Stereo_Count	0
9903291	Molecular_Weight	259.31
404289	Hydrogen_Bond_Acceptor_Count	4
12317612	XLogP3-AA	1
476770	XLogP3-AA	6.4
117217480	Undefined_Bond_Stereo_Count	0
165360154	Rotatable_Bond_Count	11
71895	XLogP3-AA	3
54316592	Hydrogen_Bond_Acceptor_Count	1
156412638	Hydrogen_Bond_Donor_Count	1
89646	Exact_Mass	204.05349212
3208	Rotatable_Bond_Count	16
16733482	Hydrogen_Bond_Donor_Count	4
16722358	Non-hydrogen_Atom_Count	17
49852403	Non-hydrogen_Atom_Count	91
184366	Hydrogen_Bond_Acceptor_Count	2
175191	Rotatable_Bond_Count	17
57404062	Hydrogen_Bond_Acceptor_Count	10
23677676	Hydrogen_Bond_Acceptor_Count	5
10157484	Mono_Isotopic_Weight	394.22564282
86890	Undefined_Atom_Stereo_Count	0
67554835	Hydrogen_Bond_Donor_Count	1
8717	Isotope_Atom_Count	0
21221940	Total_Formal_Charge	0
68991415	Structure_Complexity	74.5
13130	Covalent_Unit_Count	1
3760923	Undefined_Atom_Stereo_Count	0
549336	Defined_Atom_Stereo_Count	0
8633	Total_Formal_Charge	0
23662383	Structure_Complexity	210
5250455	Total_Formal_Charge	0
77341	Total_Formal_Charge	0
73707447	Rotatable_Bond_Count	12
628281	Isotope_Atom_Count	0
129711468	Undefined_Atom_Stereo_Count	1
96780	Tautomer_Count	1
129794671	Undefined_Atom_Stereo_Count	0
9963894	Hydrogen_Bond_Acceptor_Count	44
24848375	Structure_Complexity	466
54887	Exact_Mass	384.19098865
29025	Mono_Isotopic_Weight	150.104465066
57454999	Total_Formal_Charge	0
20498	Undefined_Bond_Stereo_Count	0
90127780	Undefined_Bond_Stereo_Count	0
71180	TPSA	83.4
23675320	Defined_Bond_Stereo_Count	0
16050932	XLogP3-AA	3.1
4156	Mono_Isotopic_Weight	110.00376522
704314	Rotatable_Bond_Count	4
135975	TPSA	0
2797676	Molecular_Weight	308.3
441397	Hydrogen_Bond_Donor_Count	2
1810203	Tautomer_Count	4
14378821	Exact_Mass	100.052429494
14557074	Hydrogen_Bond_Acceptor_Count	3
15485370	TPSA	66.8
21884	Mono_Isotopic_Weight	147.068413911
16270	Rotatable_Bond_Count	2
80792	Hydrogen_Bond_Acceptor_Count	2
55784	Rotatable_Bond_Count	5
21354407	XLogP3-AA	3.3
9953	Hydrogen_Bond_Donor_Count	2
6099081	Hydrogen_Bond_Donor_Count	0
53316385	Exact_Mass	603.1691619
63119	XLogP3-AA	1.5
135459645	Undefined_Bond_Stereo_Count	2
161091	Total_Formal_Charge	0
135570470	Hydrogen_Bond_Acceptor_Count	16
73160420	Molecular_Weight	1349.5
156963402	Exact_Mass	838.29831089
6916	Undefined_Bond_Stereo_Count	0
49869035	TPSA	60
4630917	Undefined_Bond_Stereo_Count	0
524653	Undefined_Atom_Stereo_Count	2
5277135	Rotatable_Bond_Count	7
5364752	Exact_Mass	84.057514874
102004571	Structure_Complexity	914
6067	Total_Formal_Charge	1
23663412	Non-hydrogen_Atom_Count	41
54385	TPSA	64.3
2771871	Hydrogen_Bond_Acceptor_Count	3
68739990	Structure_Complexity	104
44925	XLogP3-AA	4
18596	Covalent_Unit_Count	2
8099	Non-hydrogen_Atom_Count	16
445063	Molecular_Weight	309.27
135992859	XLogP3-AA	2
16033	Defined_Bond_Stereo_Count	0
10246505	XLogP3	3.7
78358485	Covalent_Unit_Count	1
90944184	Exact_Mass	94.016712692
71793	Defined_Atom_Stereo_Count	0
74068	Isotope_Atom_Count	0
26710	Defined_Atom_Stereo_Count	0
1711973	XLogP3	5.5
83295	Rotatable_Bond_Count	18
5362119	Mono_Isotopic_Weight	405.22637110
628889	Mono_Isotopic_Weight	315.0217694
9800	Defined_Bond_Stereo_Count	0
636345	Defined_Bond_Stereo_Count	0
72725	Isotope_Atom_Count	0
3804841	Isotope_Atom_Count	0
4435	Molecular_Weight	406.6
14022519	XLogP3-AA	1.2
7048634	Mono_Isotopic_Weight	395.03715355
50878566	Exact_Mass	306.15929460
73670	Non-hydrogen_Atom_Count	20
23724796	Covalent_Unit_Count	1
895	Molecular_Weight	244.33
23725625	Undefined_Atom_Stereo_Count	0
2791	Molecular_Weight	467.0
87495646	Total_Formal_Charge	0
23488	Undefined_Bond_Stereo_Count	0
28858	Defined_Bond_Stereo_Count	0
101100163	Molecular_Weight	235.28
44244962	Exact_Mass	258.11033829
17745	Total_Formal_Charge	0
10140	Molecular_Weight	465.6
2752647	TPSA	17.1
11865435	Total_Formal_Charge	0
12266719	Hydrogen_Bond_Acceptor_Count	1
520527	Mono_Isotopic_Weight	80.062600255
19784166	Total_Formal_Charge	0
20669981	Exact_Mass	112.100048391
126969152	Defined_Bond_Stereo_Count	0
10400	Covalent_Unit_Count	1
5651	Structure_Complexity	2960
95202	Hydrogen_Bond_Donor_Count	0
48622	Undefined_Bond_Stereo_Count	0
91984	Undefined_Atom_Stereo_Count	0
54682468	Total_Formal_Charge	0
18591	Molecular_Weight	128.25
72200876	Hydrogen_Bond_Acceptor_Count	7
707094	Covalent_Unit_Count	1
84002	Exact_Mass	268.06953611
79618	Hydrogen_Bond_Acceptor_Count	2
16421	Defined_Bond_Stereo_Count	0
539036	Defined_Bond_Stereo_Count	0
101643292	Covalent_Unit_Count	4
2772687	Molecular_Weight	315.16
87279996	Defined_Bond_Stereo_Count	0
443881	Defined_Atom_Stereo_Count	6
151896	Covalent_Unit_Count	2
23663982	Hydrogen_Bond_Donor_Count	1
75357255	Isotope_Atom_Count	0
19838	Hydrogen_Bond_Donor_Count	0
4054	Total_Formal_Charge	0
50914976	XLogP3-AA	1.4
9356	Hydrogen_Bond_Donor_Count	5
91285707	Non-hydrogen_Atom_Count	7
23643935	Total_Formal_Charge	0
52944535	Molecular_Weight	414.9
11083864	Hydrogen_Bond_Donor_Count	1
9936746	Exact_Mass	491.1182738
98719	Hydrogen_Bond_Acceptor_Count	2
6957965	Non-hydrogen_Atom_Count	29
76113449	Mono_Isotopic_Weight	110.073164938
89976681	Defined_Bond_Stereo_Count	0
556248	Mono_Isotopic_Weight	108.093900383
6134	Isotope_Atom_Count	0
676166	Undefined_Bond_Stereo_Count	0
6473878	Undefined_Bond_Stereo_Count	0
12229743	Total_Formal_Charge	0
2723949	Mono_Isotopic_Weight	75.01427034
68549	Defined_Bond_Stereo_Count	0
9909623	Covalent_Unit_Count	1
57060020	Rotatable_Bond_Count	1
145948323	Exact_Mass	958.55145317
87457638	Exact_Mass	354.01426819
42076	XLogP3-AA	5.4
46206294	Hydrogen_Bond_Acceptor_Count	5
32281	Defined_Bond_Stereo_Count	0
41556	Rotatable_Bond_Count	2
6433951	Molecular_Weight	370.4
89421960	Defined_Atom_Stereo_Count	0
7980	Hydrogen_Bond_Acceptor_Count	7
96356	Defined_Atom_Stereo_Count	0
71809	Mono_Isotopic_Weight	403.20859
11254899	Undefined_Atom_Stereo_Count	0
64934	Undefined_Atom_Stereo_Count	0
18445434	Structure_Complexity	47
4173327	Undefined_Bond_Stereo_Count	0
5460797	Structure_Complexity	87.8
102198498	Structure_Complexity	1560
60924	Hydrogen_Bond_Acceptor_Count	4
18366133	Isotope_Atom_Count	0
1135	Defined_Atom_Stereo_Count	0
15808	Structure_Complexity	178
86912	Hydrogen_Bond_Acceptor_Count	2
33778657	Undefined_Atom_Stereo_Count	0
9926639	Mono_Isotopic_Weight	308.1291556
58460742	Hydrogen_Bond_Acceptor_Count	1
134695314	TPSA	172
37059	Undefined_Atom_Stereo_Count	2
6914273	Mono_Isotopic_Weight	314.06511943
9835868	Undefined_Atom_Stereo_Count	0
12934018	Molecular_Weight	98.10
68600	Undefined_Bond_Stereo_Count	0
657237	Rotatable_Bond_Count	2
69293	Hydrogen_Bond_Acceptor_Count	1
6427110	Covalent_Unit_Count	1
54742	Defined_Atom_Stereo_Count	0
97383	Isotope_Atom_Count	0
2734248	Total_Formal_Charge	0
162	Hydrogen_Bond_Acceptor_Count	5
134032	Isotope_Atom_Count	0
21872002	Hydrogen_Bond_Acceptor_Count	2
398640	Structure_Complexity	584
142106	Molecular_Weight	98.10
6918013	Undefined_Bond_Stereo_Count	0
14660779	Defined_Bond_Stereo_Count	0
8692	Undefined_Atom_Stereo_Count	1
59295925	Covalent_Unit_Count	1
70233	Rotatable_Bond_Count	4
136135	Hydrogen_Bond_Donor_Count	0
56968128	Covalent_Unit_Count	1
16699	XLogP3-AA	0.3
137724	Defined_Atom_Stereo_Count	0
78225435	Rotatable_Bond_Count	5
65360	Molecular_Weight	207.25
5281607	Rotatable_Bond_Count	1
575802	Non-hydrogen_Atom_Count	14
5327150	Structure_Complexity	578
92032367	Defined_Atom_Stereo_Count	0
25548	Hydrogen_Bond_Donor_Count	0
122452208	Defined_Atom_Stereo_Count	0
98850	XLogP3-AA	0.6
91763	Mono_Isotopic_Weight	434.0411457
170286	Undefined_Bond_Stereo_Count	0
71339534	Structure_Complexity	415
546946	Structure_Complexity	52
96776	Covalent_Unit_Count	1
68646	Exact_Mass	229.1233420
76922	Exact_Mass	113.02992040
16217359	Isotope_Atom_Count	4
4737	Defined_Bond_Stereo_Count	0
68958	Hydrogen_Bond_Acceptor_Count	3
477	Non-hydrogen_Atom_Count	28
118855445	Hydrogen_Bond_Donor_Count	15
81601	Covalent_Unit_Count	2
62449	Defined_Bond_Stereo_Count	0
12236733	Defined_Bond_Stereo_Count	0
43157	Tautomer_Count	9
4479	Exact_Mass	748.17446246
159661	Covalent_Unit_Count	2
24759089	Isotope_Atom_Count	0
627254	Defined_Bond_Stereo_Count	0
123260325	Hydrogen_Bond_Donor_Count	1
52355	Covalent_Unit_Count	1
71346	Isotope_Atom_Count	0
101082	Defined_Bond_Stereo_Count	0
138108	Undefined_Atom_Stereo_Count	0
53317121	Rotatable_Bond_Count	1
2400	Tautomer_Count	3
152119	Covalent_Unit_Count	1
59952	Defined_Bond_Stereo_Count	0
22507733	Covalent_Unit_Count	1
13068890	Non-hydrogen_Atom_Count	8
6713368	Defined_Bond_Stereo_Count	0
136721436	Hydrogen_Bond_Acceptor_Count	7
52361	Defined_Atom_Stereo_Count	0
13698	Structure_Complexity	207
56977978	Defined_Atom_Stereo_Count	0
141276996	Hydrogen_Bond_Donor_Count	1
115208	TPSA	72.9
5329098	Undefined_Atom_Stereo_Count	0
518760	XLogP3-AA	2.5
16721	Hydrogen_Bond_Acceptor_Count	6
117768413	Non-hydrogen_Atom_Count	12
4451502	Mono_Isotopic_Weight	88.016043985
8196	Covalent_Unit_Count	1
19077552	Exact_Mass	303.162314293
21538770	Mono_Isotopic_Weight	102.068079557
691409	Hydrogen_Bond_Acceptor_Count	5
44345361	Defined_Bond_Stereo_Count	0
2736567	Hydrogen_Bond_Donor_Count	1
9954082	Non-hydrogen_Atom_Count	29
4339838	Hydrogen_Bond_Donor_Count	0
535031	Hydrogen_Bond_Donor_Count	0
74581	Exact_Mass	161.02992040
120737	Molecular_Weight	297.82
79051	Mono_Isotopic_Weight	116.094963011
86876	Non-hydrogen_Atom_Count	12
84042	Isotope_Atom_Count	0
25007063	Non-hydrogen_Atom_Count	31
71209	XLogP3-AA	1.7
10553	Isotope_Atom_Count	0
77849	Mono_Isotopic_Weight	147.079647300
25171607	Undefined_Atom_Stereo_Count	0
17778639	Defined_Bond_Stereo_Count	0
15788279	Hydrogen_Bond_Acceptor_Count	2
62328	Rotatable_Bond_Count	4
453	Undefined_Atom_Stereo_Count	4
40467895	Mono_Isotopic_Weight	610.13631276
7407	Total_Formal_Charge	0
8413	Non-hydrogen_Atom_Count	16
71237	Undefined_Atom_Stereo_Count	0
25563	Defined_Atom_Stereo_Count	0
25151504	Defined_Bond_Stereo_Count	0
10031812	XLogP3-AA	5.1
5311281	Undefined_Bond_Stereo_Count	0
8388	Mono_Isotopic_Weight	263.92834
9690105	Rotatable_Bond_Count	8
13627570	Total_Formal_Charge	0
12878836	Total_Formal_Charge	0
70695654	Total_Formal_Charge	0
87504	Exact_Mass	677.49955525
43672	Defined_Atom_Stereo_Count	4
87075443	Undefined_Bond_Stereo_Count	0
192435	Defined_Atom_Stereo_Count	10
14681325	Undefined_Atom_Stereo_Count	1
134754219	Rotatable_Bond_Count	3
9244	Exact_Mass	84.057514874
71625880	Covalent_Unit_Count	1
57511216	Undefined_Atom_Stereo_Count	0
12150354	Defined_Atom_Stereo_Count	0
5538	Defined_Bond_Stereo_Count	0
23713799	TPSA	90.8
564996	Mono_Isotopic_Weight	270.02554
93012	Rotatable_Bond_Count	5
1613	Tautomer_Count	1
70177	Defined_Atom_Stereo_Count	0
57399426	TPSA	52.6
20498	Defined_Atom_Stereo_Count	0
139444	Hydrogen_Bond_Acceptor_Count	0
87280025	Total_Formal_Charge	0
518874	Isotope_Atom_Count	0
970648	Non-hydrogen_Atom_Count	23
31497	Mono_Isotopic_Weight	235.12084340
12955	Undefined_Bond_Stereo_Count	0
519	Rotatable_Bond_Count	7
66537	Structure_Complexity	205
5072	Hydrogen_Bond_Donor_Count	1
14846	Covalent_Unit_Count	1
84647662	Defined_Atom_Stereo_Count	0
53631526	Exact_Mass	113.047678466
3829279	Isotope_Atom_Count	0
216261	XLogP3-AA	4.7
9885889	Rotatable_Bond_Count	2
13177193	Undefined_Bond_Stereo_Count	0
35076	Hydrogen_Bond_Donor_Count	3
11545958	Defined_Atom_Stereo_Count	0
573467	Covalent_Unit_Count	1
193653	Total_Formal_Charge	0
117859259	Covalent_Unit_Count	1
31620	Molecular_Weight	548.6
10994	TPSA	47.6
163091	Non-hydrogen_Atom_Count	20
76374506	Undefined_Bond_Stereo_Count	0
14741640	Defined_Bond_Stereo_Count	0
436533	Defined_Bond_Stereo_Count	0
31426	TPSA	80
1040	Covalent_Unit_Count	1
30930	Undefined_Atom_Stereo_Count	0
65281	Rotatable_Bond_Count	31
94317	Structure_Complexity	86.6
119072	Rotatable_Bond_Count	3
161218	Hydrogen_Bond_Acceptor_Count	8
13086	Covalent_Unit_Count	1
7496	Non-hydrogen_Atom_Count	20
4692287	Exact_Mass	344.23514488
64987	Undefined_Atom_Stereo_Count	1
444742	Undefined_Bond_Stereo_Count	0
68791	Covalent_Unit_Count	1
145	Rotatable_Bond_Count	5
159977	Defined_Bond_Stereo_Count	0
31448	Total_Formal_Charge	0
88371993	Defined_Atom_Stereo_Count	0
70681777	Undefined_Bond_Stereo_Count	0
517637	Non-hydrogen_Atom_Count	21
4712721	Structure_Complexity	206
197856	Molecular_Weight	532.5
9850430	Rotatable_Bond_Count	8
16131191	Hydrogen_Bond_Acceptor_Count	58
45358158	Non-hydrogen_Atom_Count	60
6018	Mono_Isotopic_Weight	317.19909372
498430	Hydrogen_Bond_Acceptor_Count	2
13492096	Rotatable_Bond_Count	1
11865437	Mono_Isotopic_Weight	342.11621151
13568501	Mono_Isotopic_Weight	111.079647300
37646	Hydrogen_Bond_Acceptor_Count	2
10718	Molecular_Weight	257.24
70837	Hydrogen_Bond_Donor_Count	3
173799	Molecular_Weight	464.5
10143006	Hydrogen_Bond_Acceptor_Count	11
6837	Total_Formal_Charge	0
92588	Covalent_Unit_Count	1
2724259	Undefined_Atom_Stereo_Count	0
91758680	Defined_Bond_Stereo_Count	0
16371051	Structure_Complexity	532
5385074	Molecular_Weight	416.4
71679410	Exact_Mass	419.34787550
9965424	Defined_Bond_Stereo_Count	0
233707	Rotatable_Bond_Count	1
30249	XLogP3-AA	4.2
8980	Structure_Complexity	211
14494973	Undefined_Atom_Stereo_Count	0
4183883	Defined_Atom_Stereo_Count	0
79583	Structure_Complexity	283
99922	Rotatable_Bond_Count	3
25171665	Hydrogen_Bond_Acceptor_Count	9
17845829	Mono_Isotopic_Weight	113.058911855
15940949	Molecular_Weight	495.6
74470	Defined_Bond_Stereo_Count	0
667450	Undefined_Bond_Stereo_Count	0
57363	XLogP3	3
11321894	Isotope_Atom_Count	0
643732	Rotatable_Bond_Count	3
10813969	Undefined_Atom_Stereo_Count	0
9828310	TPSA	114
18504387	Molecular_Weight	82.10
16133802	Structure_Complexity	6500
33474	Undefined_Atom_Stereo_Count	0
51017507	Exact_Mass	1201.84136802
6538998	Undefined_Bond_Stereo_Count	0
43704	TPSA	98.4
45026	Hydrogen_Bond_Donor_Count	3
9950244	Rotatable_Bond_Count	4
62802	Hydrogen_Bond_Acceptor_Count	4
6918092	Mono_Isotopic_Weight	668.15062196
45282362	Hydrogen_Bond_Acceptor_Count	4
54173839	Rotatable_Bond_Count	2
6433402	Isotope_Atom_Count	0
5460135	Defined_Bond_Stereo_Count	3
158506	Rotatable_Bond_Count	4
11154544	Hydrogen_Bond_Donor_Count	2
6326947	Structure_Complexity	532
68841	Tautomer_Count	1
521947	Hydrogen_Bond_Donor_Count	0
2331	Hydrogen_Bond_Acceptor_Count	1
6885	Isotope_Atom_Count	0
24802551	Defined_Bond_Stereo_Count	0
4106	Undefined_Bond_Stereo_Count	0
10307851	Mono_Isotopic_Weight	100.052429494
139612467	Exact_Mass	100.063662883
64402	Covalent_Unit_Count	1
122051	Undefined_Bond_Stereo_Count	0
55284122	TPSA	35.2
91772	Undefined_Atom_Stereo_Count	0
680	Structure_Complexity	270
9934492	Covalent_Unit_Count	2
5074	Mono_Isotopic_Weight	477.16863993
98493	Non-hydrogen_Atom_Count	7
148241675	Isotope_Atom_Count	0
156617951	Mono_Isotopic_Weight	342.11621151
103453154	Mono_Isotopic_Weight	112.052429494
146265392	Undefined_Atom_Stereo_Count	2
6918188	Undefined_Atom_Stereo_Count	0
13620760	Hydrogen_Bond_Acceptor_Count	4
360	Hydrogen_Bond_Acceptor_Count	9
101554	Rotatable_Bond_Count	1
522834	Hydrogen_Bond_Donor_Count	0
73415830	Molecular_Weight	360.56
55278707	Undefined_Bond_Stereo_Count	0
71416	Hydrogen_Bond_Donor_Count	1
52568	Total_Formal_Charge	0
44786	Isotope_Atom_Count	0
16129682	Undefined_Atom_Stereo_Count	34
53803945	Non-hydrogen_Atom_Count	8
822	Isotope_Atom_Count	0
65902	Molecular_Weight	512.6
12367598	Hydrogen_Bond_Acceptor_Count	2
5281873	Hydrogen_Bond_Acceptor_Count	7
42890	Structure_Complexity	912
72732	Exact_Mass	242.094294304
24180695	Mono_Isotopic_Weight	209.12632271
102402986	Defined_Atom_Stereo_Count	0
49865783	Hydrogen_Bond_Acceptor_Count	2
72758	Tautomer_Count	2
63686	Structure_Complexity	664
79834	Hydrogen_Bond_Donor_Count	1
135460621	TPSA	146
18908	XLogP3-AA	3.4
14120372	Undefined_Atom_Stereo_Count	0
154342	XLogP3	2.9
11227182	Covalent_Unit_Count	2
752860	Structure_Complexity	391
11142	Rotatable_Bond_Count	1
11744644	Hydrogen_Bond_Donor_Count	3
903755	Defined_Bond_Stereo_Count	0
14221107	Exact_Mass	98.073164938
8567	Structure_Complexity	134
54455096	Hydrogen_Bond_Donor_Count	0
62956	Hydrogen_Bond_Acceptor_Count	5
2816486	Isotope_Atom_Count	0
129320410	Rotatable_Bond_Count	8
20639618	Undefined_Atom_Stereo_Count	0
55007	Molecular_Weight	304.3
5591	Undefined_Atom_Stereo_Count	2
222155	Covalent_Unit_Count	1
126968519	Undefined_Atom_Stereo_Count	1
11800	Non-hydrogen_Atom_Count	16
46244883	Defined_Bond_Stereo_Count	0
557737	Undefined_Atom_Stereo_Count	1
68402550	TPSA	38
57394711	Defined_Bond_Stereo_Count	0
104805	Isotope_Atom_Count	0
71897	Total_Formal_Charge	0
9843640	Total_Formal_Charge	0
46936750	Non-hydrogen_Atom_Count	23
11799	Defined_Bond_Stereo_Count	0
7752	Rotatable_Bond_Count	2
15649173	Exact_Mass	103.099714038
9076	TPSA	35.2
5319765	Defined_Atom_Stereo_Count	0
5460188	Defined_Atom_Stereo_Count	6
36	TPSA	94.8
23310226	Hydrogen_Bond_Donor_Count	0
347271	Mono_Isotopic_Weight	100.063662883
24899382	Covalent_Unit_Count	1
9901	Covalent_Unit_Count	1
694647	Hydrogen_Bond_Acceptor_Count	2
439263	Hydrogen_Bond_Donor_Count	1
139171227	Covalent_Unit_Count	1
4320774	Isotope_Atom_Count	0
57322830	Molecular_Weight	116.11
69550	Total_Formal_Charge	0
68294	Defined_Bond_Stereo_Count	0
25008765	Total_Formal_Charge	0
62369	Non-hydrogen_Atom_Count	20
537121	Defined_Bond_Stereo_Count	0
5335	Exact_Mass	314.08374688
56955282	Isotope_Atom_Count	0
13610389	Non-hydrogen_Atom_Count	7
134693629	Hydrogen_Bond_Donor_Count	0
135484651	Mono_Isotopic_Weight	473.16589610
11402147	TPSA	26
59774	Hydrogen_Bond_Acceptor_Count	4
71541192	Total_Formal_Charge	0
20262675	Exact_Mass	112.052429494
17754054	Non-hydrogen_Atom_Count	13
4097	Total_Formal_Charge	1
8453	Structure_Complexity	63.2
134826477	Structure_Complexity	1180
64048	Undefined_Atom_Stereo_Count	0
7949	Hydrogen_Bond_Donor_Count	1
85117	Total_Formal_Charge	0
3036222	Covalent_Unit_Count	1
155970341	Undefined_Bond_Stereo_Count	1
817623	Molecular_Weight	312.4
121207426	Defined_Bond_Stereo_Count	0
6436063	Total_Formal_Charge	0
60196372	Undefined_Bond_Stereo_Count	0
643990	Molecular_Weight	820.7
16020938	Defined_Bond_Stereo_Count	0
267449	Hydrogen_Bond_Donor_Count	1
923329	Mono_Isotopic_Weight	289.14264148
15661697	TPSA	76.1
25062766	Rotatable_Bond_Count	6
3763454	Tautomer_Count	1
44224136	Mono_Isotopic_Weight	381.21647512
44717198	Mono_Isotopic_Weight	229.1624925
12858475	Defined_Bond_Stereo_Count	0
91468768	Non-hydrogen_Atom_Count	8
76065	Undefined_Bond_Stereo_Count	0
56669107	Undefined_Bond_Stereo_Count	0
12734620	XLogP3-AA	1.9
24728635	Hydrogen_Bond_Donor_Count	1
145740525	Hydrogen_Bond_Acceptor_Count	2
181976	Undefined_Atom_Stereo_Count	0
817122	Undefined_Bond_Stereo_Count	0
6324659	Hydrogen_Bond_Donor_Count	5
3571	Undefined_Bond_Stereo_Count	0
118984396	Covalent_Unit_Count	2
27989	XLogP3-AA	0.1
24857	Exact_Mass	222.01758
197942	Structure_Complexity	151
137426	Undefined_Bond_Stereo_Count	0
7527	Hydrogen_Bond_Acceptor_Count	1
135445749	Mono_Isotopic_Weight	503.15052004
71733	Mono_Isotopic_Weight	261.172878976
9008	Rotatable_Bond_Count	8
4075158	Molecular_Weight	227.36
72014	Undefined_Bond_Stereo_Count	0
6433164	Hydrogen_Bond_Donor_Count	0
11051814	Structure_Complexity	116
70540665	Defined_Atom_Stereo_Count	0
56841939	Exact_Mass	420.1928185
4048	Defined_Bond_Stereo_Count	0
2578	Undefined_Bond_Stereo_Count	0
133136	Defined_Atom_Stereo_Count	0
9548590	Structure_Complexity	600
44563	Non-hydrogen_Atom_Count	29
715567	Exact_Mass	285.12996879
516919	Undefined_Bond_Stereo_Count	0
47294	Defined_Atom_Stereo_Count	0
735319	TPSA	17.3
13112619	TPSA	12
10321331	Structure_Complexity	220
135926580	TPSA	309
8089	Rotatable_Bond_Count	21
60154326	Defined_Bond_Stereo_Count	0
5404	Exact_Mass	531.1803953
12207123	Mono_Isotopic_Weight	71.073499291
130013569	Total_Formal_Charge	0
139062656	Hydrogen_Bond_Donor_Count	18
36879	Covalent_Unit_Count	1
10021362	Defined_Atom_Stereo_Count	2
91453	Exact_Mass	430.30830982
7015680	Mono_Isotopic_Weight	111.104799419
54315893	Non-hydrogen_Atom_Count	8
70682213	XLogP3-AA	1.4
90735699	Undefined_Atom_Stereo_Count	0
73174	Hydrogen_Bond_Acceptor_Count	2
5281877	Undefined_Atom_Stereo_Count	0
71309	Isotope_Atom_Count	0
53735	Hydrogen_Bond_Acceptor_Count	4
3788074	Exact_Mass	434.02424314
201990	Undefined_Bond_Stereo_Count	0
5366074	Undefined_Bond_Stereo_Count	0
43858	Mono_Isotopic_Weight	116.120115130
7560	Covalent_Unit_Count	1
533427	Undefined_Bond_Stereo_Count	1
139692	Covalent_Unit_Count	1
134922506	Isotope_Atom_Count	0
101940	Defined_Bond_Stereo_Count	0
9930049	Defined_Bond_Stereo_Count	0
23719520	Rotatable_Bond_Count	2
54337282	Undefined_Bond_Stereo_Count	0
14020410	Undefined_Atom_Stereo_Count	2
82336	Isotope_Atom_Count	0
160534	Structure_Complexity	86.9
11569	Defined_Atom_Stereo_Count	0
12285868	Isotope_Atom_Count	0
73755062	Defined_Bond_Stereo_Count	6
8177	Exact_Mass	162.125594432
15606	Defined_Atom_Stereo_Count	0
31279	Mono_Isotopic_Weight	97.089149355
57398254	XLogP3-AA	3.1
40854	Molecular_Weight	315.3
72862	Covalent_Unit_Count	1
70008	Rotatable_Bond_Count	0
4684505	Undefined_Atom_Stereo_Count	0
512138	Hydrogen_Bond_Donor_Count	3
140377273	Defined_Bond_Stereo_Count	0
12754519	Structure_Complexity	77.7
102515	Total_Formal_Charge	0
124526411	Hydrogen_Bond_Donor_Count	8
36235	Hydrogen_Bond_Donor_Count	1
12601908	Undefined_Atom_Stereo_Count	0
444493	Molecular_Weight	809.6
66992840	Undefined_Atom_Stereo_Count	0
5287468	Total_Formal_Charge	0
115227	Covalent_Unit_Count	2
6693	Isotope_Atom_Count	0
447884	Total_Formal_Charge	0
158201	Rotatable_Bond_Count	2
34927	Undefined_Bond_Stereo_Count	0
136729	Hydrogen_Bond_Donor_Count	0
17764882	Exact_Mass	116.058577502
838868	Undefined_Bond_Stereo_Count	0
12352598	Covalent_Unit_Count	1
90547	Mono_Isotopic_Weight	188.0352552
635911	Hydrogen_Bond_Acceptor_Count	6
55004	Total_Formal_Charge	0
330654	Non-hydrogen_Atom_Count	7
5283740	Covalent_Unit_Count	1
68337933	Undefined_Atom_Stereo_Count	1
54682536	Hydrogen_Bond_Acceptor_Count	14
53151	TPSA	62.1
73759759	Undefined_Atom_Stereo_Count	4
520362	TPSA	0
6940	Hydrogen_Bond_Donor_Count	1
10289038	Isotope_Atom_Count	0
76206	Mono_Isotopic_Weight	134.0134572
89053264	Non-hydrogen_Atom_Count	8
135418283	Defined_Bond_Stereo_Count	1
13392742	Undefined_Atom_Stereo_Count	0
5742631	Hydrogen_Bond_Acceptor_Count	6
16412	Non-hydrogen_Atom_Count	15
55255285	Defined_Bond_Stereo_Count	0
124226574	Defined_Bond_Stereo_Count	5
286	Undefined_Atom_Stereo_Count	0
13485	Undefined_Atom_Stereo_Count	0
71460731	Undefined_Bond_Stereo_Count	0
66915701	Non-hydrogen_Atom_Count	15
123322483	TPSA	47.6
5320	Isotope_Atom_Count	0
4770	Isotope_Atom_Count	0
2811264	Exact_Mass	337.15904043
6196	Exact_Mass	401.10454189
92043320	Molecular_Weight	788.9
15628	Undefined_Bond_Stereo_Count	0
71436	Non-hydrogen_Atom_Count	33
441337	Defined_Atom_Stereo_Count	0
162990684	Undefined_Bond_Stereo_Count	0
6418362	XLogP3-AA	2.7
17986197	Structure_Complexity	156
562634	Exact_Mass	289.11365002
17730	Undefined_Bond_Stereo_Count	0
8881	Rotatable_Bond_Count	2
3884	Exact_Mass	242.094294304
59471606	Structure_Complexity	114
83201	Exact_Mass	338.1163980
9548659	Undefined_Atom_Stereo_Count	0
21450089	Hydrogen_Bond_Donor_Count	0
9898814	Rotatable_Bond_Count	0
45255840	TPSA	38.8
59149828	Isotope_Atom_Count	0
634876	Covalent_Unit_Count	1
14946	Defined_Atom_Stereo_Count	2
16039021	Defined_Bond_Stereo_Count	0
73303	Tautomer_Count	2
91435	TPSA	60.4
9939627	Hydrogen_Bond_Acceptor_Count	11
154809629	Defined_Bond_Stereo_Count	0
4591	Hydrogen_Bond_Donor_Count	5
58079819	Hydrogen_Bond_Donor_Count	1
91601	Defined_Atom_Stereo_Count	0
3413278	Structure_Complexity	601
6918188	Mono_Isotopic_Weight	733.15140
64715	TPSA	72.8
9906	Covalent_Unit_Count	1
11837140	XLogP3-AA	1.9
21962760	Covalent_Unit_Count	1
7097	Undefined_Atom_Stereo_Count	0
33606	XLogP3	3.4
9823887	Molecular_Weight	428.4
11858154	Total_Formal_Charge	0
10461508	Hydrogen_Bond_Donor_Count	2
13695806	Defined_Bond_Stereo_Count	0
12663409	Isotope_Atom_Count	0
227112	Defined_Atom_Stereo_Count	0
53848219	Hydrogen_Bond_Donor_Count	0
48671	TPSA	39.2
134693234	Hydrogen_Bond_Donor_Count	1
4567175	TPSA	31.4
75675	Rotatable_Bond_Count	7
5282425	Rotatable_Bond_Count	3
88959077	Exact_Mass	113.047678466
14511	Exact_Mass	110.073164938
326	Rotatable_Bond_Count	2
53319417	Mono_Isotopic_Weight	450.1346349
7054	Hydrogen_Bond_Donor_Count	1
11752	Non-hydrogen_Atom_Count	8
228204	Molecular_Weight	250.74
23283068	Hydrogen_Bond_Donor_Count	0
100957861	Covalent_Unit_Count	1
75057	Defined_Bond_Stereo_Count	0
87532	Undefined_Atom_Stereo_Count	0
60838	Rotatable_Bond_Count	5
11182	Undefined_Bond_Stereo_Count	0
94973	Molecular_Weight	110.11
20782671	Non-hydrogen_Atom_Count	8
376375	Undefined_Atom_Stereo_Count	0
19118	Exact_Mass	501.98813164
12002774	TPSA	17.8
23695542	Hydrogen_Bond_Acceptor_Count	4
119101	Tautomer_Count	3
20194949	Covalent_Unit_Count	1
264990	Undefined_Bond_Stereo_Count	0
196445	Total_Formal_Charge	0
101010	Exact_Mass	160.09218630
5360516	XLogP3	2.9
25184541	Total_Formal_Charge	0
11883891	Non-hydrogen_Atom_Count	13
5709222	Covalent_Unit_Count	1
3653	Defined_Bond_Stereo_Count	0
12997	Tautomer_Count	1
52941030	Defined_Atom_Stereo_Count	1
5217	Hydrogen_Bond_Acceptor_Count	6
83694167	TPSA	12
83616	Structure_Complexity	224
183789	Total_Formal_Charge	0
11229	Defined_Atom_Stereo_Count	0
6266	Molecular_Weight	336.8
5200289	TPSA	54.7
7111	Molecular_Weight	184.24
720561	Defined_Atom_Stereo_Count	0
47670	Hydrogen_Bond_Donor_Count	1
98626	Non-hydrogen_Atom_Count	13
501640	Defined_Atom_Stereo_Count	4
453974	Rotatable_Bond_Count	0
445691	Structure_Complexity	146
9908880	Covalent_Unit_Count	1
70498808	Defined_Bond_Stereo_Count	0
4693	Structure_Complexity	1440
20220664	Structure_Complexity	86.5
153380590	Hydrogen_Bond_Donor_Count	0
121639	Defined_Bond_Stereo_Count	0
3001860	Defined_Bond_Stereo_Count	0
34794	Hydrogen_Bond_Acceptor_Count	2
667450	Exact_Mass	246.125594432
550655	Covalent_Unit_Count	1
3614551	Total_Formal_Charge	0
703128	Defined_Bond_Stereo_Count	0
54392263	Exact_Mass	114.104465066
6364620	Total_Formal_Charge	0
107927	TPSA	78.8
16170	Mono_Isotopic_Weight	331.1339066
41912	Defined_Bond_Stereo_Count	0
5618	Exact_Mass	350.24570956
7067	Molecular_Weight	179.26
9832750	Defined_Atom_Stereo_Count	19
11286230	Rotatable_Bond_Count	3
5281951	Exact_Mass	453.94217074
20849107	Rotatable_Bond_Count	11
44183616	Undefined_Bond_Stereo_Count	0
2316	Defined_Atom_Stereo_Count	0
108157	Hydrogen_Bond_Donor_Count	1
162204726	Covalent_Unit_Count	1
90558	Exact_Mass	144.04225873
158782	Rotatable_Bond_Count	26
270624	Exact_Mass	100.052429494
9795278	Undefined_Bond_Stereo_Count	0
457801	Exact_Mass	414.386166214
826479	Mono_Isotopic_Weight	236.08441558
36965	Defined_Atom_Stereo_Count	0
630689	Molecular_Weight	336.4
12947	Undefined_Bond_Stereo_Count	0
66026334	Non-hydrogen_Atom_Count	8
439423	Isotope_Atom_Count	0
75581	Rotatable_Bond_Count	0
31493	Undefined_Bond_Stereo_Count	0
22344257	XLogP3-AA	0.4
131400288	Hydrogen_Bond_Acceptor_Count	3
11714580	Total_Formal_Charge	0
10257882	Molecular_Weight	592.8
8754	Structure_Complexity	240
18359433	Isotope_Atom_Count	0
9549180	Covalent_Unit_Count	1
323188	Mono_Isotopic_Weight	100.063662883
18980946	Structure_Complexity	91.9
10047141	Undefined_Bond_Stereo_Count	0
53420268	Hydrogen_Bond_Donor_Count	0
12754038	Non-hydrogen_Atom_Count	8
825744	Molecular_Weight	338.4
12891182	Rotatable_Bond_Count	0
289	Exact_Mass	110.036779430
74195	Covalent_Unit_Count	1
6786	Defined_Atom_Stereo_Count	0
10991489	Hydrogen_Bond_Acceptor_Count	11
22833295	Defined_Bond_Stereo_Count	0
14742703	XLogP3-AA	4.8
306211	Defined_Bond_Stereo_Count	0
530422	Non-hydrogen_Atom_Count	10
10937610	Covalent_Unit_Count	1
121192	Rotatable_Bond_Count	0
643984	Hydrogen_Bond_Donor_Count	1
99646540	Total_Formal_Charge	0
136880	Covalent_Unit_Count	1
131698851	Rotatable_Bond_Count	10
71462510	Rotatable_Bond_Count	2
132279500	Rotatable_Bond_Count	0
87063833	Rotatable_Bond_Count	0
10975412	Undefined_Atom_Stereo_Count	1
118505252	Defined_Atom_Stereo_Count	0
156212	Mono_Isotopic_Weight	310.930761
171375	Hydrogen_Bond_Donor_Count	4
12664700	Isotope_Atom_Count	0
24866519	Hydrogen_Bond_Donor_Count	3
3955599	Exact_Mass	124.99085481
6719	Undefined_Atom_Stereo_Count	0
72700	Isotope_Atom_Count	0
17534	Tautomer_Count	1
11513929	Molecular_Weight	197.19
19044091	Undefined_Atom_Stereo_Count	0
120269	Structure_Complexity	50.9
3080714	Tautomer_Count	53
55261	Undefined_Atom_Stereo_Count	0
1238	Mono_Isotopic_Weight	344.1113975
9571004	Molecular_Weight	458.0
68321815	Rotatable_Bond_Count	3
60011464	XLogP3-AA	2.5
9852519	Undefined_Bond_Stereo_Count	0
154171248	Rotatable_Bond_Count	2
18053	Defined_Atom_Stereo_Count	0
73265310	Covalent_Unit_Count	1
50905713	Undefined_Bond_Stereo_Count	0
21896570	Hydrogen_Bond_Acceptor_Count	2
142834	Undefined_Atom_Stereo_Count	0
11219835	XLogP3-AA	3.1
145567316	Undefined_Bond_Stereo_Count	0
133268492	Exact_Mass	733.52411623
15150444	Undefined_Atom_Stereo_Count	0
522065	Defined_Atom_Stereo_Count	0
90825254	Non-hydrogen_Atom_Count	25
6850791	Total_Formal_Charge	0
3081	Undefined_Atom_Stereo_Count	0
11329359	TPSA	112
3325	Hydrogen_Bond_Acceptor_Count	8
92155	Non-hydrogen_Atom_Count	30
443118	Covalent_Unit_Count	1
80302	Defined_Bond_Stereo_Count	0
140511	Structure_Complexity	59.4
6973643	Hydrogen_Bond_Acceptor_Count	1
70945	TPSA	34.1
20097868	TPSA	23.8
131704172	Isotope_Atom_Count	0
53778	Isotope_Atom_Count	0
909750	Rotatable_Bond_Count	4
165295	Rotatable_Bond_Count	3
75274	XLogP3-AA	0.5
10685477	Exact_Mass	298.12050905
19100566	Hydrogen_Bond_Donor_Count	2
69332716	Undefined_Bond_Stereo_Count	0
27368	Undefined_Atom_Stereo_Count	1
6321253	Mono_Isotopic_Weight	338.21066147
12132	Defined_Atom_Stereo_Count	0
25227462	Structure_Complexity	747
122	Tautomer_Count	8
3700118	XLogP3-AA	2.2
86498	Hydrogen_Bond_Acceptor_Count	8
6670	XLogP3-AA	1.8
580328	Covalent_Unit_Count	1
46782362	Mono_Isotopic_Weight	446.13339966
45358180	TPSA	222
143683872	Covalent_Unit_Count	1
10219384	Undefined_Atom_Stereo_Count	0
54682469	Defined_Atom_Stereo_Count	5
90078292	Isotope_Atom_Count	0
59167199	Molecular_Weight	110.20
2329	XLogP3-AA	3.3
85764696	Covalent_Unit_Count	1
60595	Mono_Isotopic_Weight	264.126263138
137278711	Defined_Bond_Stereo_Count	0
15277906	Hydrogen_Bond_Donor_Count	2
21576	Structure_Complexity	232
5672	Undefined_Atom_Stereo_Count	8
7614	Defined_Bond_Stereo_Count	0
23622962	Structure_Complexity	226
144798	Structure_Complexity	37.5
129760006	Molecular_Weight	1930.4
2763788	Exact_Mass	227.05171847
85178	Molecular_Weight	337.6
135565472	Structure_Complexity	1050
7394	Molecular_Weight	180.55
6560	Hydrogen_Bond_Acceptor_Count	1
7304	Exact_Mass	81.057849228
11846570	Undefined_Bond_Stereo_Count	0
5282768	Covalent_Unit_Count	1
135398645	Undefined_Bond_Stereo_Count	0
12673086	Non-hydrogen_Atom_Count	14
129316177	Molecular_Weight	1229.3
10351092	Undefined_Bond_Stereo_Count	0
130114929	Defined_Atom_Stereo_Count	0
162247	Undefined_Atom_Stereo_Count	0
56846451	Defined_Atom_Stereo_Count	0
15560749	TPSA	60.2
13276908	Hydrogen_Bond_Donor_Count	1
10241	Isotope_Atom_Count	0
9423	Molecular_Weight	254.37
168354	Covalent_Unit_Count	1
55285271	Covalent_Unit_Count	1
3037914	Hydrogen_Bond_Acceptor_Count	5
10148984	Hydrogen_Bond_Donor_Count	2
53402099	Defined_Bond_Stereo_Count	0
25245437	Defined_Bond_Stereo_Count	1
69420	Covalent_Unit_Count	1
68526	Undefined_Bond_Stereo_Count	0
2734243	Rotatable_Bond_Count	7
23283041	Hydrogen_Bond_Donor_Count	0
12609623	Hydrogen_Bond_Acceptor_Count	2
86467	Defined_Bond_Stereo_Count	0
521491	Covalent_Unit_Count	1
68717	TPSA	56.8
1361	Total_Formal_Charge	0
10761	Total_Formal_Charge	0
3081386	Molecular_Weight	679.5
60196313	Mono_Isotopic_Weight	231.162314293
87438806	Exact_Mass	104.094963011
522621	Hydrogen_Bond_Acceptor_Count	0
10952	Mono_Isotopic_Weight	118.0549280
76621	Mono_Isotopic_Weight	207.0886878
91589	Total_Formal_Charge	0
17769620	Undefined_Bond_Stereo_Count	0
10131842	Hydrogen_Bond_Donor_Count	0
70695760	Mono_Isotopic_Weight	479.09569
81512	Rotatable_Bond_Count	0
656506	Molecular_Weight	448.5
20387201	Defined_Bond_Stereo_Count	0
107694	Exact_Mass	712.3530671
15448870	Rotatable_Bond_Count	0
5289388	Isotope_Atom_Count	0
3842125	Covalent_Unit_Count	1
16684171	Defined_Bond_Stereo_Count	0
23564147	Total_Formal_Charge	0
4185	TPSA	164
51017507	Defined_Bond_Stereo_Count	1
134436906	TPSA	112
18924154	Covalent_Unit_Count	1
93176	Non-hydrogen_Atom_Count	8
1325	Isotope_Atom_Count	0
22138511	TPSA	18.5
30987	Defined_Atom_Stereo_Count	0
22234	Non-hydrogen_Atom_Count	12
537142	TPSA	12.5
68187620	Defined_Bond_Stereo_Count	0
72200110	Hydrogen_Bond_Acceptor_Count	3
226288	Hydrogen_Bond_Donor_Count	1
133090	Covalent_Unit_Count	1
91216087	Defined_Atom_Stereo_Count	0
20666911	Defined_Atom_Stereo_Count	0
20797	XLogP3-AA	3.9
10461263	Rotatable_Bond_Count	13
12302695	Isotope_Atom_Count	0
13347991	Non-hydrogen_Atom_Count	8
3246941	Mono_Isotopic_Weight	297.19400834
141343693	Undefined_Bond_Stereo_Count	0
5146	Exact_Mass	124.052429494
129847313	Mono_Isotopic_Weight	381.19400834
11748	Hydrogen_Bond_Acceptor_Count	3
520907	Molecular_Weight	101.19
53477580	Defined_Bond_Stereo_Count	1
5289143	Defined_Bond_Stereo_Count	0
10631872	Isotope_Atom_Count	0
50905713	Mono_Isotopic_Weight	416.1152369
29131	Isotope_Atom_Count	0
229075	Exact_Mass	110.059246208
5354486	Total_Formal_Charge	0
58054368	Rotatable_Bond_Count	9
533854	XLogP3-AA	0.7
5256574	Molecular_Weight	152.25
18944758	Undefined_Bond_Stereo_Count	0
2734232	Covalent_Unit_Count	1
9703	Undefined_Atom_Stereo_Count	0
1414	Rotatable_Bond_Count	12
381117	Undefined_Bond_Stereo_Count	0
133268468	Mono_Isotopic_Weight	419.34787550
230373	Isotope_Atom_Count	0
57000164	Exact_Mass	113.011292958
56955280	XLogP3-AA	4.6
66908038	Undefined_Atom_Stereo_Count	3
57829	Rotatable_Bond_Count	4
508194	Mono_Isotopic_Weight	667.40975519
9433	Exact_Mass	420.19819929
141836779	Mono_Isotopic_Weight	112.088815002
101992406	XLogP3-AA	1.2
89445694	Hydrogen_Bond_Donor_Count	0
2833	Undefined_Atom_Stereo_Count	1
10351656	Mono_Isotopic_Weight	100.100048391
22962	Tautomer_Count	2
10990876	Exact_Mass	321.94425161
54016283	Structure_Complexity	45.8
55287916	Rotatable_Bond_Count	2
136490	Rotatable_Bond_Count	2
5388962	Non-hydrogen_Atom_Count	27
9373	Hydrogen_Bond_Donor_Count	1
23080901	XLogP3-AA	0.1
54688683	Molecular_Weight	626.7
10333641	Mono_Isotopic_Weight	275.93957
58221868	Hydrogen_Bond_Donor_Count	1
3033984	Hydrogen_Bond_Donor_Count	1
8600	Mono_Isotopic_Weight	270.07395278
66903	Exact_Mass	366.349780706
11337	Hydrogen_Bond_Donor_Count	6
6432236	Isotope_Atom_Count	0
25273607	Rotatable_Bond_Count	6
452970	Rotatable_Bond_Count	2
839431	Hydrogen_Bond_Donor_Count	2
68321898	Defined_Bond_Stereo_Count	0
16684927	Hydrogen_Bond_Donor_Count	0
3365553	Molecular_Weight	87.12
13410810	XLogP3-AA	0.5
7456	Structure_Complexity	136
90579	Covalent_Unit_Count	1
90754	Isotope_Atom_Count	0
57358782	Molecular_Weight	416.6
73154880	Defined_Bond_Stereo_Count	0
57395308	Molecular_Weight	616.7
37901	Structure_Complexity	520
12632928	Mono_Isotopic_Weight	97.089149355
4369524	Mono_Isotopic_Weight	297.09358328
16721	XLogP3	2.3
6432061	Hydrogen_Bond_Acceptor_Count	0
257501	Defined_Atom_Stereo_Count	0
164158597	Defined_Bond_Stereo_Count	0
3720192	Undefined_Atom_Stereo_Count	0
23496	Hydrogen_Bond_Donor_Count	0
66536	Isotope_Atom_Count	0
53494828	Rotatable_Bond_Count	1
154809629	Total_Formal_Charge	0
37109	Hydrogen_Bond_Donor_Count	1
9	Hydrogen_Bond_Acceptor_Count	9
11651921	TPSA	110
11842633	Defined_Atom_Stereo_Count	3
221050	Mono_Isotopic_Weight	102.068079557
163779583	XLogP3-AA	1.7
21325329	Exact_Mass	115.099714038
18698	TPSA	26.3
12252	Structure_Complexity	47.2
24814	Total_Formal_Charge	0
220001	Defined_Bond_Stereo_Count	0
66792062	Defined_Atom_Stereo_Count	0
25380	Hydrogen_Bond_Donor_Count	0
4472	Defined_Atom_Stereo_Count	0
278580	Molecular_Weight	116.11
193956	Tautomer_Count	12
13327309	Molecular_Weight	116.16
60196333	TPSA	24.9
86101	Structure_Complexity	369
21938314	Defined_Bond_Stereo_Count	0
53494692	Hydrogen_Bond_Acceptor_Count	4
12372	XLogP3	2.2
21522	Non-hydrogen_Atom_Count	17
73348210	Defined_Bond_Stereo_Count	0
16186010	Hydrogen_Bond_Acceptor_Count	20
65263	Undefined_Bond_Stereo_Count	0
54584750	Rotatable_Bond_Count	15
11988286	Covalent_Unit_Count	1
54111	Mono_Isotopic_Weight	289.0401358
118014937	Undefined_Bond_Stereo_Count	0
55284719	Isotope_Atom_Count	0
9934033	TPSA	70.2
72916	Hydrogen_Bond_Acceptor_Count	2
160139	Defined_Atom_Stereo_Count	3
289460	Hydrogen_Bond_Acceptor_Count	4
2724032	Structure_Complexity	191
22909	Covalent_Unit_Count	1
582408	TPSA	46.2
4648	Rotatable_Bond_Count	10
5280970	Covalent_Unit_Count	1
80426	Isotope_Atom_Count	0
441199	Undefined_Bond_Stereo_Count	0
9984488	Covalent_Unit_Count	1
74002265	Hydrogen_Bond_Donor_Count	0
21699428	Hydrogen_Bond_Donor_Count	1
451239	Hydrogen_Bond_Donor_Count	0
11569967	Rotatable_Bond_Count	6
86790	Molecular_Weight	250.31
445319	Isotope_Atom_Count	0
2568	Hydrogen_Bond_Acceptor_Count	4
54027648	Mono_Isotopic_Weight	101.047678466
1548972	Structure_Complexity	590
44485	Structure_Complexity	208
9919265	Undefined_Atom_Stereo_Count	0
3088997	Tautomer_Count	2
532928	XLogP3-AA	10.6
71459117	Mono_Isotopic_Weight	391.18959167
8163	Molecular_Weight	170.29
14265921	Total_Formal_Charge	0
44623937	XLogP3-AA	3
9889867	Structure_Complexity	669
11908385	Structure_Complexity	382
3052777	Non-hydrogen_Atom_Count	25
50515	TPSA	66.6
66679	Hydrogen_Bond_Donor_Count	0
137076	XLogP3-AA	2
142647132	Defined_Bond_Stereo_Count	0
91558991	Mono_Isotopic_Weight	110.109550447
122670	Total_Formal_Charge	0
43962	TPSA	25.8
90876965	Mono_Isotopic_Weight	112.088815002
7608	Defined_Atom_Stereo_Count	0
135900090	Exact_Mass	822.40512330
12574	Non-hydrogen_Atom_Count	10
70684313	Exact_Mass	411.15560620
86134	Hydrogen_Bond_Acceptor_Count	6
53655	Non-hydrogen_Atom_Count	63
71068	Mono_Isotopic_Weight	344.07970687
675901	Rotatable_Bond_Count	3
70099	Exact_Mass	106.078250319
2367	Hydrogen_Bond_Acceptor_Count	9
60878	Non-hydrogen_Atom_Count	35
11368	TPSA	61.7
1499	XLogP3-AA	3.4
137554722	Defined_Bond_Stereo_Count	0
93563	Isotope_Atom_Count	0
58028426	Defined_Bond_Stereo_Count	0
9969613	TPSA	80.5
135398558	Rotatable_Bond_Count	7
11111992	Covalent_Unit_Count	1
90955914	Undefined_Bond_Stereo_Count	0
18517118	Hydrogen_Bond_Donor_Count	1
408511	Hydrogen_Bond_Acceptor_Count	4
538972	Undefined_Atom_Stereo_Count	0
19370497	Rotatable_Bond_Count	0
91772	Isotope_Atom_Count	0
17561	Covalent_Unit_Count	1
64627	Mono_Isotopic_Weight	356.22122615
6335	Undefined_Bond_Stereo_Count	0
131668418	Exact_Mass	326.24570956
2724	Covalent_Unit_Count	1
1444	Undefined_Bond_Stereo_Count	3
51931	TPSA	52.3
17563	Covalent_Unit_Count	1
4479094	Defined_Bond_Stereo_Count	0
537445	Defined_Atom_Stereo_Count	0
69111	Covalent_Unit_Count	1
22058225	Mono_Isotopic_Weight	438.14607235
398515	Covalent_Unit_Count	1
71356052	Covalent_Unit_Count	1
2042	Defined_Bond_Stereo_Count	0
39272	Total_Formal_Charge	0
62883	Hydrogen_Bond_Acceptor_Count	10
10286159	Hydrogen_Bond_Acceptor_Count	3
48305	Total_Formal_Charge	0
118505252	Hydrogen_Bond_Acceptor_Count	2
6331	Covalent_Unit_Count	1
119025724	Non-hydrogen_Atom_Count	43
49862691	Covalent_Unit_Count	1
3603	Defined_Bond_Stereo_Count	0
10061	Non-hydrogen_Atom_Count	28
20831824	Hydrogen_Bond_Acceptor_Count	10
24987688	Mono_Isotopic_Weight	805.29141642
30154	Mono_Isotopic_Weight	98.950726
94215	Exact_Mass	120.078644241
54758034	Hydrogen_Bond_Acceptor_Count	5
19792224	Hydrogen_Bond_Acceptor_Count	3
6855	Hydrogen_Bond_Acceptor_Count	3
141583717	Mono_Isotopic_Weight	583.78329
138753050	Structure_Complexity	457
85491	Covalent_Unit_Count	1
22836365	Covalent_Unit_Count	1
836041	Hydrogen_Bond_Acceptor_Count	2
134070	XLogP3-AA	5.1
23565353	Non-hydrogen_Atom_Count	8
696858	Exact_Mass	334.14297583
87303552	Covalent_Unit_Count	1
145994598	Mono_Isotopic_Weight	8268.3514156
644113	Total_Formal_Charge	0
3035447	Mono_Isotopic_Weight	384.06360602
86098790	Non-hydrogen_Atom_Count	14
7263	Defined_Bond_Stereo_Count	0
72734319	Exact_Mass	601.19349328
54502555	Rotatable_Bond_Count	2
20494989	Defined_Bond_Stereo_Count	0
5362116	Mono_Isotopic_Weight	452.23112213
7802604	Exact_Mass	388.13986234
57391458	Hydrogen_Bond_Acceptor_Count	6
4205685	Total_Formal_Charge	0
4551	Undefined_Bond_Stereo_Count	0
35922	Exact_Mass	301.14780704
11461044	Hydrogen_Bond_Acceptor_Count	5
11111992	Molecular_Weight	393.5
170944	Rotatable_Bond_Count	0
77160509	Non-hydrogen_Atom_Count	6
78293	Defined_Atom_Stereo_Count	0
136705	Non-hydrogen_Atom_Count	6
71517698	TPSA	125
72614909	Mono_Isotopic_Weight	96.068748264
1374121	Defined_Atom_Stereo_Count	0
447360	Non-hydrogen_Atom_Count	28
146795	Defined_Atom_Stereo_Count	0
616630	Hydrogen_Bond_Donor_Count	2
140152869	Hydrogen_Bond_Donor_Count	1
57656641	Mono_Isotopic_Weight	414.1589315
9559	Undefined_Atom_Stereo_Count	0
135482068	Defined_Bond_Stereo_Count	1
3418	Total_Formal_Charge	0
129831062	Undefined_Bond_Stereo_Count	2
57507663	Isotope_Atom_Count	0
97255	Hydrogen_Bond_Acceptor_Count	3
15673	Isotope_Atom_Count	0
522216	Isotope_Atom_Count	0
8472	Molecular_Weight	124.08
67247849	Defined_Atom_Stereo_Count	0
69980	Isotope_Atom_Count	0
48654	Mono_Isotopic_Weight	261.03644
143670559	Undefined_Atom_Stereo_Count	2
16683008	Isotope_Atom_Count	0
10017965	Undefined_Bond_Stereo_Count	0
24802	TPSA	138
5743835	Hydrogen_Bond_Acceptor_Count	4
62766	Exact_Mass	245.954854
11440685	Covalent_Unit_Count	1
122706529	Covalent_Unit_Count	1
54492709	Defined_Atom_Stereo_Count	0
6619879	Covalent_Unit_Count	1
64824	Structure_Complexity	717
19787449	Covalent_Unit_Count	1
7597	Isotope_Atom_Count	0
6440940	Non-hydrogen_Atom_Count	17
40341	Molecular_Weight	305.07
71081	Isotope_Atom_Count	0
11181836	Undefined_Bond_Stereo_Count	0
22238266	Undefined_Atom_Stereo_Count	0
174341	Hydrogen_Bond_Acceptor_Count	2
135625230	Hydrogen_Bond_Donor_Count	10
61209	TPSA	34.1
88534961	Total_Formal_Charge	0
524211	Mono_Isotopic_Weight	106.078250319
65679	Isotope_Atom_Count	0
5363388	Hydrogen_Bond_Acceptor_Count	2
98488	Undefined_Bond_Stereo_Count	0
520527	Defined_Atom_Stereo_Count	0
227801	Molecular_Weight	224.30
16129617	Defined_Atom_Stereo_Count	21
146681183	Hydrogen_Bond_Acceptor_Count	5
299369	Hydrogen_Bond_Donor_Count	1
5359853	Undefined_Bond_Stereo_Count	0
7387	Non-hydrogen_Atom_Count	13
21491139	TPSA	61.1
32610	Covalent_Unit_Count	1
138948	Isotope_Atom_Count	0
14257	Covalent_Unit_Count	1
447339	Isotope_Atom_Count	0
21662383	Hydrogen_Bond_Donor_Count	0
18714263	Mono_Isotopic_Weight	111.079647300
66992840	Undefined_Bond_Stereo_Count	0
86388	TPSA	70.3
17748	Exact_Mass	207.0087061
78324	Defined_Bond_Stereo_Count	0
398675	Hydrogen_Bond_Donor_Count	0
662369	Covalent_Unit_Count	1
58318269	Structure_Complexity	415
14235	Hydrogen_Bond_Donor_Count	0
9929785	Molecular_Weight	380.5
20067437	Molecular_Weight	113.11
54675864	Defined_Bond_Stereo_Count	0
148429079	Defined_Atom_Stereo_Count	0
54323317	Exact_Mass	303.14705815
87774825	Total_Formal_Charge	0
11470068	Hydrogen_Bond_Donor_Count	0
3614092	Hydrogen_Bond_Donor_Count	1
6994977	Rotatable_Bond_Count	7
67420384	Mono_Isotopic_Weight	110.048012819
134593	Non-hydrogen_Atom_Count	8
12278295	Undefined_Atom_Stereo_Count	0
1243	Isotope_Atom_Count	0
70614444	TPSA	75.7
23993	Defined_Bond_Stereo_Count	0
69020	Covalent_Unit_Count	1
57395447	Rotatable_Bond_Count	10
11430	Undefined_Atom_Stereo_Count	0
91260	Defined_Atom_Stereo_Count	0
13034936	Tautomer_Count	1
135484551	Total_Formal_Charge	0
141187507	Defined_Atom_Stereo_Count	0
2343	Hydrogen_Bond_Donor_Count	2
67435898	Defined_Atom_Stereo_Count	0
3348	Undefined_Bond_Stereo_Count	0
16699	Structure_Complexity	150
73441	Non-hydrogen_Atom_Count	35
11116543	Non-hydrogen_Atom_Count	12
92211533	Hydrogen_Bond_Acceptor_Count	7
25127622	Isotope_Atom_Count	0
67406	Covalent_Unit_Count	1
443310	Defined_Atom_Stereo_Count	0
16684171	Total_Formal_Charge	0
1068	Structure_Complexity	2.8
24870668	XLogP3-AA	2.1
965784	Exact_Mass	332.9959485
2543	Hydrogen_Bond_Acceptor_Count	2
9973799	XLogP3-AA	4.6
627	Rotatable_Bond_Count	5
13947131	Defined_Atom_Stereo_Count	0
5779	Total_Formal_Charge	0
11182600	Molecular_Weight	117.15
449435	Rotatable_Bond_Count	8
16048642	Isotope_Atom_Count	0
10424358	Isotope_Atom_Count	0
65601	Structure_Complexity	445
25099	Undefined_Bond_Stereo_Count	0
26444	Covalent_Unit_Count	1
92043128	Hydrogen_Bond_Donor_Count	1
143811683	Covalent_Unit_Count	1
3086637	Hydrogen_Bond_Acceptor_Count	10
85942939	Molecular_Weight	105.14
83075	Exact_Mass	271.20216773
31251	Hydrogen_Bond_Donor_Count	0
8674	Defined_Atom_Stereo_Count	0
70732	Defined_Atom_Stereo_Count	0
6431301	Isotope_Atom_Count	0
8038	Hydrogen_Bond_Acceptor_Count	2
185818	TPSA	123
46931057	Rotatable_Bond_Count	17
91493	Rotatable_Bond_Count	7
17336	Mono_Isotopic_Weight	226.09535693
369219	Molecular_Weight	183.29
53477794	Defined_Bond_Stereo_Count	1
2487	Undefined_Atom_Stereo_Count	3
274412	Covalent_Unit_Count	1
665387	Hydrogen_Bond_Donor_Count	1
12309521	XLogP3	2.9
72207871	Molecular_Weight	101.15
17736	Hydrogen_Bond_Acceptor_Count	0
63954	Structure_Complexity	700
41774	Total_Formal_Charge	0
17956339	Hydrogen_Bond_Acceptor_Count	8
140050359	Structure_Complexity	109
444000	Hydrogen_Bond_Donor_Count	0
12622744	Undefined_Bond_Stereo_Count	0
3148	Isotope_Atom_Count	0
6427079	Undefined_Bond_Stereo_Count	0
50944	Molecular_Weight	245.25
7567018	Total_Formal_Charge	0
2116	Non-hydrogen_Atom_Count	31
91693	Defined_Atom_Stereo_Count	0
47703	Structure_Complexity	264
2455	Molecular_Weight	421.3
42790	Exact_Mass	630.14908
92838	Molecular_Weight	132.16
29348	Structure_Complexity	264
79122	Undefined_Atom_Stereo_Count	1
17700	Structure_Complexity	435
5351141	Mono_Isotopic_Weight	435.1844180
3025986	Isotope_Atom_Count	0
67895	Undefined_Atom_Stereo_Count	0
12964	Rotatable_Bond_Count	2
42051894	Total_Formal_Charge	0
10384666	Rotatable_Bond_Count	8
16272	Defined_Atom_Stereo_Count	0
91067785	Rotatable_Bond_Count	0
129629038	Undefined_Bond_Stereo_Count	0
1101	Non-hydrogen_Atom_Count	12
1162	Structure_Complexity	1280
1514290	Defined_Atom_Stereo_Count	0
8076	Covalent_Unit_Count	1
2735001	Non-hydrogen_Atom_Count	12
162652	Covalent_Unit_Count	1
16541	Undefined_Atom_Stereo_Count	0
35766	Rotatable_Bond_Count	6
8689	Hydrogen_Bond_Acceptor_Count	3
5729	Non-hydrogen_Atom_Count	16
6919	Structure_Complexity	99.8
2779183	Isotope_Atom_Count	0
6433427	Defined_Atom_Stereo_Count	0
101304	Defined_Atom_Stereo_Count	0
9842616	Undefined_Atom_Stereo_Count	2
53737519	Total_Formal_Charge	0
25104740	Covalent_Unit_Count	1
23642	Exact_Mass	140.02958605
69046	Molecular_Weight	277.3
133732	Undefined_Bond_Stereo_Count	0
11584	Mono_Isotopic_Weight	100.052429494
60196384	Mono_Isotopic_Weight	283.07970
75341	Hydrogen_Bond_Donor_Count	1
25100740	Undefined_Atom_Stereo_Count	0
6427057	Rotatable_Bond_Count	8
657201	Tautomer_Count	1
22565	Mono_Isotopic_Weight	296.188863393
10767	Exact_Mass	235.157228913
53898266	Hydrogen_Bond_Acceptor_Count	3
904857	TPSA	26.3
91825716	Hydrogen_Bond_Donor_Count	0
5311027	TPSA	89.8
5146	Undefined_Bond_Stereo_Count	0
11046239	Hydrogen_Bond_Acceptor_Count	6
5411	Hydrogen_Bond_Donor_Count	1
20514191	Structure_Complexity	62.6
153643637	Undefined_Atom_Stereo_Count	0
58642	Undefined_Atom_Stereo_Count	0
70693582	Mono_Isotopic_Weight	447.21336163
9881360	Isotope_Atom_Count	0
25077533	Defined_Atom_Stereo_Count	9
10377751	Mono_Isotopic_Weight	257.02589765
22385728	Covalent_Unit_Count	1
6917700	Defined_Bond_Stereo_Count	0
84647662	TPSA	69.1
443586	Mono_Isotopic_Weight	183.05315777
1139	Undefined_Atom_Stereo_Count	3
46127	Hydrogen_Bond_Donor_Count	1
13888	Covalent_Unit_Count	1
24802109	Mono_Isotopic_Weight	310.1811912
29772	Total_Formal_Charge	0
225147	Molecular_Weight	116.16
5282455	Rotatable_Bond_Count	18
10113430	XLogP3-AA	4.5
53237541	Undefined_Atom_Stereo_Count	1
12611534	Hydrogen_Bond_Donor_Count	1
13089918	Hydrogen_Bond_Donor_Count	0
13654	Total_Formal_Charge	0
4284720	Undefined_Atom_Stereo_Count	1
106999	Undefined_Bond_Stereo_Count	0
17963208	Non-hydrogen_Atom_Count	34
68503813	Covalent_Unit_Count	1
103656	Hydrogen_Bond_Donor_Count	1
54280	TPSA	77.3
60196419	Structure_Complexity	567
21493122	Mono_Isotopic_Weight	96.068748264
71452498	Undefined_Atom_Stereo_Count	0
8718	TPSA	34.1
1662	Covalent_Unit_Count	1
70677962	TPSA	186
545624	Isotope_Atom_Count	0
19083156	TPSA	97.2
110373	Defined_Atom_Stereo_Count	0
123535886	Rotatable_Bond_Count	0
518234	Hydrogen_Bond_Donor_Count	0
11669	Tautomer_Count	1
144813235	Undefined_Bond_Stereo_Count	0
98511	Non-hydrogen_Atom_Count	15
19938785	Exact_Mass	112.088815002
21792546	Rotatable_Bond_Count	4
15570	Rotatable_Bond_Count	0
216210	Molecular_Weight	471.5
5283748	Hydrogen_Bond_Acceptor_Count	3
1056	Mono_Isotopic_Weight	82.053098200
6183479	Covalent_Unit_Count	1
18520896	Molecular_Weight	124.10
40159	Exact_Mass	390.0789499
139134	Isotope_Atom_Count	0
8130	Hydrogen_Bond_Donor_Count	0
4510	Undefined_Atom_Stereo_Count	0
47491	Undefined_Bond_Stereo_Count	0
12298558	Covalent_Unit_Count	1
529212	Isotope_Atom_Count	0
68196	Defined_Atom_Stereo_Count	0
421	Tautomer_Count	1
9543528	Defined_Atom_Stereo_Count	2
6378	Undefined_Atom_Stereo_Count	1
63801	Hydrogen_Bond_Donor_Count	3
1479778	Rotatable_Bond_Count	2
6276	TPSA	20.2
77828	Undefined_Bond_Stereo_Count	0
20055109	Covalent_Unit_Count	1
23727982	Mono_Isotopic_Weight	269.12766012
135705228	Total_Formal_Charge	0
3040551	Exact_Mass	323.1288213
16141	Hydrogen_Bond_Donor_Count	0
283813	Structure_Complexity	109
145971	Defined_Atom_Stereo_Count	0
568783	XLogP3	3.1
46204396	Defined_Bond_Stereo_Count	0
643968	Mono_Isotopic_Weight	246.06519962
636403	TPSA	118
52942581	Hydrogen_Bond_Acceptor_Count	3
18392	Mono_Isotopic_Weight	130.062994177
12580406	Undefined_Atom_Stereo_Count	0
10923804	TPSA	85.8
99905	Total_Formal_Charge	0
10434	Undefined_Bond_Stereo_Count	0
3832	Exact_Mass	347.12296866
543885	Covalent_Unit_Count	1
752646	Undefined_Atom_Stereo_Count	0
10155136	Undefined_Atom_Stereo_Count	0
6433090	Molecular_Weight	319.4
138231	Structure_Complexity	28.7
1774	Covalent_Unit_Count	1
275510	Molecular_Weight	647.9
2310	Mono_Isotopic_Weight	155.094628657
20067437	Covalent_Unit_Count	1
7498	Structure_Complexity	55.4
31224	Undefined_Bond_Stereo_Count	2
10435	Molecular_Weight	111.11
18924037	Exact_Mass	113.047678466
572802	Undefined_Bond_Stereo_Count	0
15691707	Non-hydrogen_Atom_Count	7
234485	Isotope_Atom_Count	0
88489334	Undefined_Atom_Stereo_Count	0
23270355	TPSA	20.2
85248	Rotatable_Bond_Count	2
91026652	Hydrogen_Bond_Acceptor_Count	2
15232	Hydrogen_Bond_Acceptor_Count	12
54125435	Undefined_Atom_Stereo_Count	0
25261	Rotatable_Bond_Count	7
49784002	Total_Formal_Charge	0
40467849	Rotatable_Bond_Count	1
6323236	TPSA	161
46936190	Non-hydrogen_Atom_Count	23
24870	Isotope_Atom_Count	0
34415	Covalent_Unit_Count	1
62210	Total_Formal_Charge	0
68682	Non-hydrogen_Atom_Count	38
22020761	Rotatable_Bond_Count	2
26310	Exact_Mass	326.0548604
78072498	Undefined_Atom_Stereo_Count	2
160024	Defined_Atom_Stereo_Count	2
12502857	TPSA	23.8
145705978	Non-hydrogen_Atom_Count	76
57992058	XLogP3-AA	3.9
83979	Rotatable_Bond_Count	5
44230575	Undefined_Bond_Stereo_Count	0
142210	Rotatable_Bond_Count	0
1041	Undefined_Atom_Stereo_Count	4
69903	XLogP3-AA	1.5
129861481	Undefined_Bond_Stereo_Count	0
7794	Defined_Atom_Stereo_Count	0
10080510	Total_Formal_Charge	0
54582078	Mono_Isotopic_Weight	359.13150553
71622	Hydrogen_Bond_Acceptor_Count	6
320263	TPSA	58
9797798	Mono_Isotopic_Weight	335.07040306
22224160	XLogP3-AA	2.4
156022731	Non-hydrogen_Atom_Count	72
61101	Hydrogen_Bond_Donor_Count	0
68895	XLogP3-AA	1.3
129720364	Non-hydrogen_Atom_Count	20
51043	TPSA	0
121734	Hydrogen_Bond_Acceptor_Count	3
54525833	Defined_Bond_Stereo_Count	0
16067950	Undefined_Atom_Stereo_Count	0
177843	Molecular_Weight	404.1
119185	Hydrogen_Bond_Acceptor_Count	10
71388	Non-hydrogen_Atom_Count	20
80434	Isotope_Atom_Count	0
15681692	Covalent_Unit_Count	1
11886769	Hydrogen_Bond_Donor_Count	8
146158553	Defined_Atom_Stereo_Count	1
293	Total_Formal_Charge	0
11593431	Mono_Isotopic_Weight	88.052429494
3637	TPSA	63.8
61141	Undefined_Bond_Stereo_Count	0
2815	Total_Formal_Charge	0
25200541	Defined_Bond_Stereo_Count	0
208836	Non-hydrogen_Atom_Count	28
2771758	Tautomer_Count	7
14274724	Total_Formal_Charge	0
68486699	Total_Formal_Charge	0
91420197	TPSA	58.3
37888437	TPSA	103
134694302	Exact_Mass	478.842666
16685262	Defined_Bond_Stereo_Count	0
54060	Defined_Atom_Stereo_Count	0
28264	Non-hydrogen_Atom_Count	8
92374	Defined_Atom_Stereo_Count	0
12711600	Structure_Complexity	72.9
139291707	Mono_Isotopic_Weight	1137.4964
35754	Isotope_Atom_Count	0
19859	Hydrogen_Bond_Donor_Count	1
68520833	Hydrogen_Bond_Acceptor_Count	4
140606019	Undefined_Atom_Stereo_Count	1
9847	Total_Formal_Charge	0
76970981	Rotatable_Bond_Count	6
164914198	TPSA	9.2
283654	Tautomer_Count	3
5360460	TPSA	95.9
533473	Hydrogen_Bond_Acceptor_Count	2
11217523	Hydrogen_Bond_Donor_Count	2
59296099	Non-hydrogen_Atom_Count	32
13293130	XLogP3-AA	0
101306862	TPSA	136
6420038	Rotatable_Bond_Count	7
15546	Molecular_Weight	221.64
21896450	Total_Formal_Charge	0
3076	Undefined_Atom_Stereo_Count	2
18984686	Total_Formal_Charge	0
5311000	Undefined_Atom_Stereo_Count	0
153932472	XLogP3-AA	1.2
136750	Undefined_Bond_Stereo_Count	0
119198	TPSA	26.7
13163928	Exact_Mass	112.052429494
21100	Total_Formal_Charge	0
196879	Undefined_Bond_Stereo_Count	0
51051629	Rotatable_Bond_Count	4
26758	Rotatable_Bond_Count	4
94229	Hydrogen_Bond_Donor_Count	1
82711397	Undefined_Bond_Stereo_Count	0
5353495	Hydrogen_Bond_Acceptor_Count	15
5608	Undefined_Atom_Stereo_Count	15
13805	Hydrogen_Bond_Acceptor_Count	11
85988	Hydrogen_Bond_Donor_Count	0
136237316	Mono_Isotopic_Weight	494.25292020
3035914	Mono_Isotopic_Weight	258.15929460
136183544	Defined_Atom_Stereo_Count	0
10442928	XLogP3-AA	5
149396638	Hydrogen_Bond_Donor_Count	0
85540	Structure_Complexity	499
24759	Rotatable_Bond_Count	12
24207195	Defined_Atom_Stereo_Count	9
34875	Defined_Bond_Stereo_Count	0
25875	Structure_Complexity	382
5328791	Isotope_Atom_Count	0
57590	Exact_Mass	650.7761
71208	Covalent_Unit_Count	1
1718	Defined_Atom_Stereo_Count	0
11595	Total_Formal_Charge	0
9578570	Rotatable_Bond_Count	8
19847	Exact_Mass	281.9554066
8287	Mono_Isotopic_Weight	361.1618684
9116	Rotatable_Bond_Count	0
5984	Isotope_Atom_Count	0
7018	Rotatable_Bond_Count	0
36283	Hydrogen_Bond_Acceptor_Count	4
49862689	Total_Formal_Charge	0
8816	Mono_Isotopic_Weight	383.21876
9800555	Hydrogen_Bond_Donor_Count	3
13134	Total_Formal_Charge	0
14305	Isotope_Atom_Count	0
86583	TPSA	20.2
430945	Isotope_Atom_Count	0
94097	Isotope_Atom_Count	0
2051	Exact_Mass	315.0774544
3033012	TPSA	37.3
11869222	Defined_Bond_Stereo_Count	0
296464	Rotatable_Bond_Count	3
609492	Covalent_Unit_Count	1
54766	TPSA	91.3
444025	XLogP3	3.9
54688694	Structure_Complexity	1010
135398627	Tautomer_Count	9
72064	Isotope_Atom_Count	0
54704426	Exact_Mass	480.1299435
102228006	Exact_Mass	290.130679813
16219010	Molecular_Weight	385.8
15278170	Hydrogen_Bond_Donor_Count	1
31186	Undefined_Atom_Stereo_Count	0
34815	Structure_Complexity	315
62493	TPSA	17.1
735091	Defined_Atom_Stereo_Count	0
3824520	TPSA	17.1
4369325	Defined_Atom_Stereo_Count	0
96776	Isotope_Atom_Count	0
91747	Hydrogen_Bond_Acceptor_Count	7
75373	Tautomer_Count	1
54099775	TPSA	46.3
3081386	Defined_Atom_Stereo_Count	8
99963	Hydrogen_Bond_Donor_Count	2
11083864	Undefined_Atom_Stereo_Count	0
12381421	Exact_Mass	96.057514874
23082568	Defined_Atom_Stereo_Count	0
71449989	Mono_Isotopic_Weight	393.20861303
53754520	Defined_Bond_Stereo_Count	0
21800	Undefined_Atom_Stereo_Count	0
7712	Hydrogen_Bond_Acceptor_Count	2
3132	Hydrogen_Bond_Acceptor_Count	4
18955278	Hydrogen_Bond_Donor_Count	0
62956	Undefined_Atom_Stereo_Count	0
67239	Undefined_Atom_Stereo_Count	0
25912	Total_Formal_Charge	0
946372	Undefined_Atom_Stereo_Count	0
62086	Defined_Bond_Stereo_Count	0
133568304	XLogP3-AA	6.4
151166	Tautomer_Count	37
13808253	Exact_Mass	100.052429494
445049	Structure_Complexity	459
285	Hydrogen_Bond_Donor_Count	1
139906417	Structure_Complexity	65.1
68321874	Exact_Mass	335.16337692
122522140	Covalent_Unit_Count	1
77323	Defined_Atom_Stereo_Count	0
53896476	Hydrogen_Bond_Donor_Count	0
100094	Defined_Atom_Stereo_Count	2
99382	Undefined_Atom_Stereo_Count	0
7750126	Undefined_Bond_Stereo_Count	0
73005	Undefined_Atom_Stereo_Count	1
12416832	Isotope_Atom_Count	0
54740489	Mono_Isotopic_Weight	390.0111167
57449500	Structure_Complexity	84.4
10473	Defined_Bond_Stereo_Count	0
89053261	Defined_Atom_Stereo_Count	0
44258737	Undefined_Atom_Stereo_Count	2
18475804	Hydrogen_Bond_Donor_Count	0
5459844	Hydrogen_Bond_Donor_Count	1
6875	Defined_Atom_Stereo_Count	0
24867465	Total_Formal_Charge	0
20056682	Rotatable_Bond_Count	8
13126	Rotatable_Bond_Count	5
208916	Covalent_Unit_Count	1
22639502	Undefined_Bond_Stereo_Count	0
21617691	Defined_Atom_Stereo_Count	0
103564347	XLogP3-AA	1.6
25137918	Structure_Complexity	710
5267	TPSA	85.7
95634	Non-hydrogen_Atom_Count	14
565843	Covalent_Unit_Count	1
25324	XLogP3-AA	3.5
45357585	Undefined_Atom_Stereo_Count	0
19596	Defined_Bond_Stereo_Count	0
5460626	Defined_Atom_Stereo_Count	0
13201	Molecular_Weight	116.16
7792	Hydrogen_Bond_Donor_Count	1
56675795	Hydrogen_Bond_Acceptor_Count	7
643208	Defined_Bond_Stereo_Count	0
3958	Molecular_Weight	321.2
55840	Defined_Atom_Stereo_Count	0
56659	TPSA	49.8
9808844	Hydrogen_Bond_Donor_Count	2
54739	Tautomer_Count	3
57399142	Defined_Atom_Stereo_Count	0
97868	Isotope_Atom_Count	0
66383	Exact_Mass	541.23455300
101656013	XLogP3-AA	4.5
70163	Mono_Isotopic_Weight	202.062994177
126514322	Non-hydrogen_Atom_Count	7
656954	Non-hydrogen_Atom_Count	20
8718	Isotope_Atom_Count	0
76507	XLogP3-AA	0
26139	Undefined_Bond_Stereo_Count	0
123690360	Undefined_Bond_Stereo_Count	0
53663591	Total_Formal_Charge	0
9950891	Molecular_Weight	363.4
955	Tautomer_Count	2
128423	Mono_Isotopic_Weight	144.06088618
89353	Total_Formal_Charge	0
49757967	Rotatable_Bond_Count	2
12101	Exact_Mass	122.073164938
162678	Undefined_Bond_Stereo_Count	0
12369	Structure_Complexity	35.4
68975085	Exact_Mass	86.084398327
3058754	Defined_Bond_Stereo_Count	0
6375	Structure_Complexity	27.5
53372724	Exact_Mass	526.25735413
50914976	Defined_Atom_Stereo_Count	0
99816	Total_Formal_Charge	0
16219856	Total_Formal_Charge	0
85999939	Mono_Isotopic_Weight	107.073499291
3791919	XLogP3-AA	0
89162323	Isotope_Atom_Count	0
80168	Tautomer_Count	1
6908	Undefined_Atom_Stereo_Count	0
82982	Hydrogen_Bond_Acceptor_Count	7
106701	TPSA	26.3
53465913	Total_Formal_Charge	0
23270355	Covalent_Unit_Count	1
41505	Covalent_Unit_Count	1
22967022	Defined_Bond_Stereo_Count	0
411312	XLogP3-AA	2.8
6252910	TPSA	195
133633	Structure_Complexity	416
5289162	Hydrogen_Bond_Acceptor_Count	6
961335	Exact_Mass	197.121592296
636367	Total_Formal_Charge	0
9547928	XLogP3-AA	3.2
54378536	Total_Formal_Charge	0
36513	Total_Formal_Charge	0
14453684	Exact_Mass	100.088815002
10772946	Defined_Bond_Stereo_Count	0
40113	Defined_Atom_Stereo_Count	0
115236	Molecular_Weight	315.39
13513692	Hydrogen_Bond_Acceptor_Count	1
76959818	Mono_Isotopic_Weight	369.254203300
11969542	Non-hydrogen_Atom_Count	32
415628	Hydrogen_Bond_Acceptor_Count	2
71403949	Structure_Complexity	394
18928374	Covalent_Unit_Count	1
17305	Defined_Atom_Stereo_Count	0
9280	Rotatable_Bond_Count	4
16097	Exact_Mass	181.03750770
70346812	Molecular_Weight	113.16
91326539	Hydrogen_Bond_Acceptor_Count	0
15566624	Hydrogen_Bond_Donor_Count	1
52366	Exact_Mass	179.094628657
10302451	Undefined_Atom_Stereo_Count	0
122283	Defined_Bond_Stereo_Count	0
132228	Undefined_Bond_Stereo_Count	0
1452	Undefined_Bond_Stereo_Count	1
123485747	Rotatable_Bond_Count	2
44193577	TPSA	69.7
62875	Tautomer_Count	1
47357	Hydrogen_Bond_Acceptor_Count	4
89805	Non-hydrogen_Atom_Count	12
4591	Mono_Isotopic_Weight	790.52311317
53183	XLogP3	3.2
5786	Isotope_Atom_Count	0
135920954	Hydrogen_Bond_Acceptor_Count	7
43834223	Undefined_Bond_Stereo_Count	0
44139752	Undefined_Bond_Stereo_Count	0
825877	Undefined_Bond_Stereo_Count	0
91668	Hydrogen_Bond_Donor_Count	0
16217535	Hydrogen_Bond_Donor_Count	8
56160	Exact_Mass	414.0400831
21049457	Defined_Bond_Stereo_Count	0
11023	Rotatable_Bond_Count	4
41428	Covalent_Unit_Count	1
146160332	Isotope_Atom_Count	0
399895	Molecular_Weight	271.31
5251857	Rotatable_Bond_Count	2
6718	Tautomer_Count	1
6992039	Hydrogen_Bond_Donor_Count	3
21917310	Tautomer_Count	1
656580	Molecular_Weight	423.2
5311333	Molecular_Weight	1111.3
137264	Isotope_Atom_Count	0
2783363	Undefined_Bond_Stereo_Count	0
10148984	Non-hydrogen_Atom_Count	5
67060	Total_Formal_Charge	0
3793939	Molecular_Weight	202.00
119507	Hydrogen_Bond_Donor_Count	2
58992	Isotope_Atom_Count	0
358996	Undefined_Bond_Stereo_Count	0
25021359	TPSA	219
118701518	Isotope_Atom_Count	0
17473	Defined_Atom_Stereo_Count	9
21123938	Rotatable_Bond_Count	2
44144829	Undefined_Bond_Stereo_Count	0
17195	Non-hydrogen_Atom_Count	26
25127713	Rotatable_Bond_Count	6
243415	Molecular_Weight	115.17
134694856	Total_Formal_Charge	0
12318923	Covalent_Unit_Count	1
30571	Covalent_Unit_Count	1
158726884	Rotatable_Bond_Count	0
11582651	Molecular_Weight	425.4
5795	Covalent_Unit_Count	2
17564	Exact_Mass	263.188529040
45073437	Tautomer_Count	1
605	Covalent_Unit_Count	1
92041	Defined_Bond_Stereo_Count	0
691409	Isotope_Atom_Count	0
23703451	Isotope_Atom_Count	0
8359	Molecular_Weight	163.13
51030054	Hydrogen_Bond_Donor_Count	0
711656	Total_Formal_Charge	0
100978766	Defined_Bond_Stereo_Count	0
638047	Rotatable_Bond_Count	2
493082	Hydrogen_Bond_Donor_Count	0
85922476	Molecular_Weight	110.15
77676	Structure_Complexity	151
114781	Undefined_Atom_Stereo_Count	0
16454	Defined_Atom_Stereo_Count	0
11423563	Covalent_Unit_Count	1
225161	Undefined_Atom_Stereo_Count	0
25058199	Hydrogen_Bond_Donor_Count	3
9796365	Structure_Complexity	431
81837	Undefined_Atom_Stereo_Count	0
133676174	Structure_Complexity	72.5
129019256	Isotope_Atom_Count	0
74195	Undefined_Atom_Stereo_Count	0
11963557	Total_Formal_Charge	0
129635152	Exact_Mass	143.95643836
132862	Structure_Complexity	193
493342	Total_Formal_Charge	0
65328	Covalent_Unit_Count	3
3034278	Defined_Bond_Stereo_Count	0
44201342	Undefined_Atom_Stereo_Count	0
3047855	Structure_Complexity	1450
86488	Structure_Complexity	321
446925	Molecular_Weight	536.9
135624041	Defined_Bond_Stereo_Count	0
77912	Defined_Atom_Stereo_Count	0
146102	Structure_Complexity	364
4678	Exact_Mass	205.13140809
101815863	Hydrogen_Bond_Donor_Count	2
13490845	Total_Formal_Charge	0
138037	Covalent_Unit_Count	1
11379	Molecular_Weight	144.17
41466	Mono_Isotopic_Weight	130.074227566
57029485	Total_Formal_Charge	0
24198	Total_Formal_Charge	0
4845	Covalent_Unit_Count	1
21624254	Hydrogen_Bond_Acceptor_Count	2
12599600	Defined_Atom_Stereo_Count	0
46936560	TPSA	44.4
27822	Isotope_Atom_Count	0
56843898	Defined_Atom_Stereo_Count	0
149236349	Undefined_Bond_Stereo_Count	0
47024	Hydrogen_Bond_Acceptor_Count	3
5351154	Exact_Mass	184.11849242
267577	Undefined_Atom_Stereo_Count	0
12298	Defined_Bond_Stereo_Count	0
465585	Undefined_Atom_Stereo_Count	0
77507	Structure_Complexity	243
45085421	Molecular_Weight	132.23
5003	Molecular_Weight	541.5
16305	Molecular_Weight	328.00
81869	XLogP3	4.5
19602	Defined_Atom_Stereo_Count	0
22833454	Molecular_Weight	199.38
87653	Defined_Atom_Stereo_Count	0
7077	Structure_Complexity	235
23268532	Hydrogen_Bond_Donor_Count	2
10011877	Defined_Bond_Stereo_Count	0
76964745	Isotope_Atom_Count	0
71228	Tautomer_Count	6
67768	Structure_Complexity	159
10314049	Rotatable_Bond_Count	3
140523	Exact_Mass	125.058911855
18622370	Undefined_Atom_Stereo_Count	0
5364712	Exact_Mass	212.214015512
6918637	TPSA	98.7
123217479	Molecular_Weight	92.14
295261	Undefined_Atom_Stereo_Count	0
20084	Tautomer_Count	2
101870	Hydrogen_Bond_Donor_Count	0
45266908	Rotatable_Bond_Count	9
101725836	Defined_Bond_Stereo_Count	2
6446980	XLogP3-AA	4.1
91984	Non-hydrogen_Atom_Count	14
14276	Molecular_Weight	113.20
16221343	Hydrogen_Bond_Acceptor_Count	10
15559073	Molecular_Weight	278.4
439583	Hydrogen_Bond_Donor_Count	5
89921642	Hydrogen_Bond_Acceptor_Count	15
2733514	TPSA	134
472	XLogP3-AA	1.1
2793757	Defined_Atom_Stereo_Count	0
11409	Hydrogen_Bond_Donor_Count	0
53465848	TPSA	59.2
12336305	Rotatable_Bond_Count	0
43436603	Non-hydrogen_Atom_Count	8
20727	Undefined_Atom_Stereo_Count	0
322148	Covalent_Unit_Count	1
70399533	Total_Formal_Charge	0
25014762	Molecular_Weight	446.5
3034372	Total_Formal_Charge	0
129514	Mono_Isotopic_Weight	431.01883720
11263471	Structure_Complexity	131
9101	Undefined_Bond_Stereo_Count	0
11181	Exact_Mass	100.063662883
137700140	Hydrogen_Bond_Acceptor_Count	4
54265485	Structure_Complexity	86.5
108051	Isotope_Atom_Count	0
6578	Defined_Bond_Stereo_Count	0
65238	Covalent_Unit_Count	1
111804	Undefined_Bond_Stereo_Count	0
165363121	XLogP3-AA	3.2
71449988	Undefined_Atom_Stereo_Count	0
90297	XLogP3-AA	2.7
13887	Rotatable_Bond_Count	1
54557	Covalent_Unit_Count	1
57625	Covalent_Unit_Count	3
1333	Non-hydrogen_Atom_Count	16
8461	Hydrogen_Bond_Donor_Count	0
9841596	Tautomer_Count	1
32226	Hydrogen_Bond_Donor_Count	0
87664346	Total_Formal_Charge	0
443943	Undefined_Atom_Stereo_Count	0
124081896	Hydrogen_Bond_Donor_Count	0
73376	Molecular_Weight	207.3
73759759	Exact_Mass	908.38775915
145709612	Defined_Bond_Stereo_Count	0
7254	Non-hydrogen_Atom_Count	9
24978601	Undefined_Bond_Stereo_Count	0
49865972	Molecular_Weight	354.4
14529	Undefined_Atom_Stereo_Count	0
156618033	Undefined_Atom_Stereo_Count	0
389	Isotope_Atom_Count	0
133688938	Rotatable_Bond_Count	7
66201	XLogP3-AA	0.6
164584	Undefined_Bond_Stereo_Count	0
1422	Hydrogen_Bond_Acceptor_Count	5
25954	Hydrogen_Bond_Donor_Count	0
501391	Exact_Mass	219.14705815
25142172	Covalent_Unit_Count	1
77541	Defined_Bond_Stereo_Count	0
369373	Hydrogen_Bond_Donor_Count	4
134692366	Exact_Mass	413.22743373
93535113	Rotatable_Bond_Count	0
16750094	Structure_Complexity	543
143494565	Exact_Mass	109.063997236
122188	Hydrogen_Bond_Donor_Count	3
24714	Hydrogen_Bond_Donor_Count	6
86876	Molecular_Weight	168.19
9859	Isotope_Atom_Count	0
54517091	Exact_Mass	94.078250319
11598	Tautomer_Count	1
22348641	Total_Formal_Charge	0
9835852	XLogP3-AA	1.8
129789506	Total_Formal_Charge	0
65934	XLogP3-AA	1.1
170832	Undefined_Bond_Stereo_Count	0
20059462	Undefined_Atom_Stereo_Count	3
6328163	Mono_Isotopic_Weight	500.0545926
637668	Defined_Atom_Stereo_Count	0
69100	Hydrogen_Bond_Acceptor_Count	2
4163	Covalent_Unit_Count	1
9980241	Defined_Bond_Stereo_Count	0
213043	Structure_Complexity	515
9841	Undefined_Atom_Stereo_Count	0
21602045	Isotope_Atom_Count	0
4983738	Undefined_Bond_Stereo_Count	0
512289	Covalent_Unit_Count	1
4469994	Hydrogen_Bond_Acceptor_Count	5
2348480	Structure_Complexity	439
44630107	Undefined_Atom_Stereo_Count	1
12502754	Defined_Atom_Stereo_Count	0
81749	Hydrogen_Bond_Donor_Count	2
50878565	Isotope_Atom_Count	0
6440728	Hydrogen_Bond_Acceptor_Count	3
17842471	Covalent_Unit_Count	1
68266	Defined_Atom_Stereo_Count	0
62343	Exact_Mass	170.130679813
148007841	Hydrogen_Bond_Acceptor_Count	1
28679	Hydrogen_Bond_Acceptor_Count	2
118572065	Covalent_Unit_Count	1
1277665	Molecular_Weight	99.13
4228493	Undefined_Atom_Stereo_Count	0
5003096	TPSA	67.4
6857474	Defined_Atom_Stereo_Count	0
11051814	Hydrogen_Bond_Donor_Count	0
6371716	Defined_Bond_Stereo_Count	3
71371	TPSA	191
16212360	Molecular_Weight	100.02
46942	Exact_Mass	204.220163521
87090701	Covalent_Unit_Count	1
66319	Rotatable_Bond_Count	1
21884945	XLogP3	0.1
22833567	Undefined_Bond_Stereo_Count	0
25386	Exact_Mass	317.1546421
11481426	Defined_Bond_Stereo_Count	0
903698	Defined_Atom_Stereo_Count	0
2646	Covalent_Unit_Count	1
25253556	Tautomer_Count	2
6426660	Exact_Mass	314.24570956
85500	Structure_Complexity	543
44327552	Structure_Complexity	234
141487201	Undefined_Atom_Stereo_Count	1
18442594	Structure_Complexity	57.7
9131	Undefined_Bond_Stereo_Count	0
54585642	Total_Formal_Charge	0
2764407	Total_Formal_Charge	0
6537489	Total_Formal_Charge	0
3836	Non-hydrogen_Atom_Count	31
129893524	Covalent_Unit_Count	3
136898365	Total_Formal_Charge	0
81217	Hydrogen_Bond_Donor_Count	4
5362894	Structure_Complexity	95.4
136730	Hydrogen_Bond_Acceptor_Count	3
57097	Exact_Mass	940.42049858
126547509	Undefined_Atom_Stereo_Count	0
5497171	Hydrogen_Bond_Donor_Count	4
643918	Undefined_Atom_Stereo_Count	0
20653	TPSA	37.3
4842	TPSA	40.6
99271	XLogP3-AA	1.9
10975533	Non-hydrogen_Atom_Count	7
164543616	Structure_Complexity	114
2734233	Isotope_Atom_Count	0
338812	Isotope_Atom_Count	0
57095141	TPSA	21.3
46173802	Exact_Mass	562.09649219
7949	Undefined_Atom_Stereo_Count	0
15032818	Mono_Isotopic_Weight	106.078250319
97842	Mono_Isotopic_Weight	170.130679813
68888	XLogP3-AA	0.8
54598431	Hydrogen_Bond_Acceptor_Count	4
171970	Hydrogen_Bond_Donor_Count	1
71112644	Molecular_Weight	407.3
4349	Undefined_Bond_Stereo_Count	0
50857	Hydrogen_Bond_Donor_Count	2
49862872	Total_Formal_Charge	0
23057994	Structure_Complexity	63.5
36231	TPSA	0
13556	Hydrogen_Bond_Acceptor_Count	0
155032	Mono_Isotopic_Weight	407.0562682
62328	Structure_Complexity	264
8016	Defined_Bond_Stereo_Count	0
40234	XLogP3	7.2
2331	Defined_Bond_Stereo_Count	0
42163	Non-hydrogen_Atom_Count	21
8107	Undefined_Bond_Stereo_Count	0
87220078	Undefined_Bond_Stereo_Count	0
9794485	Exact_Mass	185.141578849
843179	TPSA	82.8
219093	Non-hydrogen_Atom_Count	21
19138	Undefined_Bond_Stereo_Count	0
85925	Molecular_Weight	142.28
9918381	Total_Formal_Charge	0
54502555	Defined_Bond_Stereo_Count	0
15510	Defined_Atom_Stereo_Count	0
63954	Rotatable_Bond_Count	2
439224	Exact_Mass	226.10659032
439680	Total_Formal_Charge	0
16741878	Rotatable_Bond_Count	15
6253	TPSA	129
483180	Tautomer_Count	1
119828	XLogP3-AA	3.3
138510	Isotope_Atom_Count	0
865974	Hydrogen_Bond_Acceptor_Count	5
825877	Rotatable_Bond_Count	2
15458	Structure_Complexity	119
84605	TPSA	38.3
11744314	Covalent_Unit_Count	1
21330	Mono_Isotopic_Weight	267.05652907
6431301	Hydrogen_Bond_Acceptor_Count	2
44119980	Hydrogen_Bond_Donor_Count	5
31573	Rotatable_Bond_Count	6
19782729	XLogP3-AA	0.4
31269	Defined_Bond_Stereo_Count	0
3449165	Covalent_Unit_Count	1
6476006	Mono_Isotopic_Weight	230.094294304
23685289	Non-hydrogen_Atom_Count	9
45788574	Defined_Atom_Stereo_Count	0
446947	Molecular_Weight	216.08
7248	XLogP3	2.5
129861481	Hydrogen_Bond_Acceptor_Count	2
71012	Isotope_Atom_Count	0
135398619	Undefined_Atom_Stereo_Count	0
17045	Hydrogen_Bond_Donor_Count	1
14262	Hydrogen_Bond_Donor_Count	0
33256	Undefined_Bond_Stereo_Count	0
6973628	TPSA	17.1
5311167	Total_Formal_Charge	0
66545	Exact_Mass	238.04121336
12581088	Hydrogen_Bond_Donor_Count	0
551191	Undefined_Atom_Stereo_Count	1
53832747	Isotope_Atom_Count	0
246983	Non-hydrogen_Atom_Count	31
73889	Mono_Isotopic_Weight	285.06122053
83822	Molecular_Weight	388.8
60044069	Undefined_Bond_Stereo_Count	0
6992027	Mono_Isotopic_Weight	433.21138974
56682220	Hydrogen_Bond_Acceptor_Count	5
3263	Undefined_Bond_Stereo_Count	0
44144393	Undefined_Atom_Stereo_Count	2
6554	Hydrogen_Bond_Acceptor_Count	0
19935266	Undefined_Bond_Stereo_Count	0
15256279	Defined_Bond_Stereo_Count	0
66828839	XLogP3-AA	4.6
10329273	Non-hydrogen_Atom_Count	8
70945	Mono_Isotopic_Weight	126.068079557
101297691	Rotatable_Bond_Count	9
3493	Covalent_Unit_Count	1
19892314	Defined_Bond_Stereo_Count	0
89422816	Hydrogen_Bond_Donor_Count	1
42470	TPSA	29.5
7861	Structure_Complexity	17.2
65726	Tautomer_Count	10
6435893	Hydrogen_Bond_Donor_Count	5
22308	Structure_Complexity	404
7837	Hydrogen_Bond_Acceptor_Count	3
90200	Mono_Isotopic_Weight	543.92954
5288101	Rotatable_Bond_Count	3
5288631	XLogP3-AA	4.9
58506875	Structure_Complexity	414
156580566	Undefined_Atom_Stereo_Count	0
68705	Undefined_Bond_Stereo_Count	0
69253	Defined_Bond_Stereo_Count	0
224243	Undefined_Atom_Stereo_Count	2
9053	Exact_Mass	376.20498756
132274234	TPSA	557
4369491	Hydrogen_Bond_Donor_Count	3
24321	Hydrogen_Bond_Acceptor_Count	1
14866361	Defined_Atom_Stereo_Count	0
19966	Defined_Bond_Stereo_Count	0
4369563	Rotatable_Bond_Count	2
10628031	Hydrogen_Bond_Donor_Count	6
547935	Hydrogen_Bond_Donor_Count	1
51029964	Isotope_Atom_Count	0
162342152	Non-hydrogen_Atom_Count	8
1794427	Structure_Complexity	534
11865423	Rotatable_Bond_Count	11
439177	Defined_Bond_Stereo_Count	0
12729368	TPSA	33
22063278	Mono_Isotopic_Weight	97.089149355
21059304	Total_Formal_Charge	0
134158431	Hydrogen_Bond_Donor_Count	0
81844	TPSA	17.1
57208108	Undefined_Atom_Stereo_Count	0
19648	Undefined_Atom_Stereo_Count	0
25056	Structure_Complexity	235
73631	Mono_Isotopic_Weight	370.14163842
136893	TPSA	18.5
54840	Structure_Complexity	237
316724	Molecular_Weight	240.30
134688093	Isotope_Atom_Count	0
10943	Molecular_Weight	147.00
5281771	Undefined_Bond_Stereo_Count	0
20438510	Defined_Atom_Stereo_Count	0
88300	Exact_Mass	296.19875937
60196302	Isotope_Atom_Count	0
13196775	Undefined_Atom_Stereo_Count	0
8026	Total_Formal_Charge	0
5462350	TPSA	59
60966	Rotatable_Bond_Count	0
18204	Mono_Isotopic_Weight	160.157563266
18710045	XLogP3-AA	1.4
154489025	Isotope_Atom_Count	0
3085023	Tautomer_Count	2
15684	Exact_Mass	175.9795702
167693	Molecular_Weight	114.22
91400094	Rotatable_Bond_Count	6
55472	Rotatable_Bond_Count	21
129	XLogP3-AA	1.3
6255	Molecular_Weight	342.30
7331	Total_Formal_Charge	0
135544142	Hydrogen_Bond_Acceptor_Count	7
12720	Structure_Complexity	51.7
92002571	Non-hydrogen_Atom_Count	25
41448	Mono_Isotopic_Weight	268.07355886
3321360	Structure_Complexity	149
71449859	Mono_Isotopic_Weight	600.2018590
73001175	Mono_Isotopic_Weight	99.104799419
14510	Undefined_Atom_Stereo_Count	0
94744	TPSA	63.3
762967	Hydrogen_Bond_Donor_Count	1
146395	Covalent_Unit_Count	3
87713	Covalent_Unit_Count	1
9826528	Undefined_Bond_Stereo_Count	0
135747	Undefined_Bond_Stereo_Count	0
11194305	TPSA	67.5
55285488	Non-hydrogen_Atom_Count	7
9855453	Isotope_Atom_Count	0
102821	Defined_Atom_Stereo_Count	0
96381	Defined_Atom_Stereo_Count	0
500460	Total_Formal_Charge	0
7530950	Hydrogen_Bond_Acceptor_Count	2
9601349	Total_Formal_Charge	0
102372243	Mono_Isotopic_Weight	416.32904526
2733	XLogP3	1.8
3624	Isotope_Atom_Count	0
4331	TPSA	130
6838	Non-hydrogen_Atom_Count	15
3000226	Total_Formal_Charge	0
57398259	TPSA	102
694358	Non-hydrogen_Atom_Count	20
21902132	Molecular_Weight	101.10
16124688	Structure_Complexity	705
11503972	Exact_Mass	324.14739250
11257	Rotatable_Bond_Count	3
44629591	Non-hydrogen_Atom_Count	40
21405	Defined_Bond_Stereo_Count	0
544792	Non-hydrogen_Atom_Count	6
91825716	TPSA	66.4
69275	Tautomer_Count	1
68424	Mono_Isotopic_Weight	87.068413911
520911	Covalent_Unit_Count	1
57235	Undefined_Bond_Stereo_Count	0
68871	TPSA	12.5
10465	Undefined_Bond_Stereo_Count	0
5288382	Structure_Complexity	1150
3571	Hydrogen_Bond_Donor_Count	3
11843834	Defined_Atom_Stereo_Count	0
6951123	TPSA	49.3
12771232	Molecular_Weight	114.10
19283	Hydrogen_Bond_Donor_Count	0
7364	Covalent_Unit_Count	1
5355019	Undefined_Bond_Stereo_Count	0
5318386	Rotatable_Bond_Count	5
130796	Rotatable_Bond_Count	4
137427383	Undefined_Bond_Stereo_Count	0
75258	Structure_Complexity	384
2462	Undefined_Atom_Stereo_Count	9
44563067	TPSA	105
177084	Isotope_Atom_Count	0
67259543	Mono_Isotopic_Weight	109.016378338
3034336	Structure_Complexity	101
71316600	XLogP3-AA	7.7
15178986	Molecular_Weight	109.13
32040	Exact_Mass	157.110278721
58364265	Molecular_Weight	419.7
55284642	Molecular_Weight	82.10
11596660	Defined_Atom_Stereo_Count	0
13885286	Covalent_Unit_Count	1
65490	XLogP3	3.7
5288320	Hydrogen_Bond_Acceptor_Count	5
3388301	Defined_Bond_Stereo_Count	0
5281520	Hydrogen_Bond_Donor_Count	0
14417041	Exact_Mass	113.084063974
8370	Exact_Mass	283.810166
20695916	Structure_Complexity	70.8
642325	Defined_Atom_Stereo_Count	0
16132416	Total_Formal_Charge	0
156255626	Defined_Atom_Stereo_Count	0
91657	Tautomer_Count	6
11412356	Total_Formal_Charge	0
127757	Exact_Mass	452.22122615
28774	Undefined_Bond_Stereo_Count	0
123659755	Structure_Complexity	72.5
91604	Undefined_Atom_Stereo_Count	1
74093	Undefined_Atom_Stereo_Count	0
5281168	Defined_Atom_Stereo_Count	0
341	Non-hydrogen_Atom_Count	23
45375808	Undefined_Bond_Stereo_Count	0
118163156	XLogP3-AA	5.9
14990169	Defined_Bond_Stereo_Count	0
128882	Undefined_Bond_Stereo_Count	0
9853053	TPSA	61.4
731747	Hydrogen_Bond_Donor_Count	2
243415	Defined_Atom_Stereo_Count	0
20949	Isotope_Atom_Count	0
6473973	Isotope_Atom_Count	0
90818	Isotope_Atom_Count	0
106824140	Non-hydrogen_Atom_Count	8
23693089	Isotope_Atom_Count	0
11501341	Undefined_Atom_Stereo_Count	0
18787	Mono_Isotopic_Weight	226.110613074
62357	Exact_Mass	442.22564282
73919	Non-hydrogen_Atom_Count	16
7170	Total_Formal_Charge	0
6586	Mono_Isotopic_Weight	93.9821570
67578175	Structure_Complexity	782
439935	Undefined_Atom_Stereo_Count	0
80455	Covalent_Unit_Count	1
25271860	Defined_Atom_Stereo_Count	1
566503	TPSA	56.7
132263855	Exact_Mass	342.11621151
4158661	Hydrogen_Bond_Acceptor_Count	8
94355	Non-hydrogen_Atom_Count	8
762788	Undefined_Bond_Stereo_Count	0
638021	TPSA	12
12304501	Undefined_Atom_Stereo_Count	0
12852568	Rotatable_Bond_Count	0
6918840	Mono_Isotopic_Weight	966.43078848
57396950	Isotope_Atom_Count	0
139585898	Defined_Bond_Stereo_Count	3
5284596	Molecular_Weight	327.4
51136560	Non-hydrogen_Atom_Count	63
5280492	Hydrogen_Bond_Donor_Count	3
10039361	XLogP3-AA	1.2
5489410	Total_Formal_Charge	0
54453800	TPSA	54.5
5810	Rotatable_Bond_Count	1
114690178	Molecular_Weight	107.11
58559	Undefined_Bond_Stereo_Count	0
25123	Exact_Mass	162.115698455
297691	Molecular_Weight	337.2
8222	Structure_Complexity	132
121719	Structure_Complexity	237
73802	Undefined_Bond_Stereo_Count	0
90479	Covalent_Unit_Count	1
90281906	Defined_Bond_Stereo_Count	0
71453559	Hydrogen_Bond_Acceptor_Count	5
89136345	Structure_Complexity	169
673	Tautomer_Count	1
64964	Total_Formal_Charge	0
112214	Molecular_Weight	114.10
86912	Structure_Complexity	256
27402	TPSA	44.5
16129690	Rotatable_Bond_Count	40
123165994	Defined_Atom_Stereo_Count	0
5359371	Total_Formal_Charge	0
69602	Defined_Atom_Stereo_Count	0
71679077	Rotatable_Bond_Count	6
42108	Hydrogen_Bond_Donor_Count	0
71530	Structure_Complexity	294
31954	Undefined_Bond_Stereo_Count	0
4841	TPSA	46.5
784	Non-hydrogen_Atom_Count	2
34870	Covalent_Unit_Count	1
4112	Total_Formal_Charge	0
53944814	Mono_Isotopic_Weight	102.031694049
60044711	Non-hydrogen_Atom_Count	8
6918336	Defined_Bond_Stereo_Count	0
5282546	Molecular_Weight	493.5
122679474	Defined_Bond_Stereo_Count	0
18766934	XLogP3-AA	1.3
1491	TPSA	77.8
53869954	Defined_Atom_Stereo_Count	0
8299	TPSA	37.3
90019226	Mono_Isotopic_Weight	103.063328530
46916	Molecular_Weight	270.35
22097456	Covalent_Unit_Count	1
89930457	Undefined_Bond_Stereo_Count	0
158403	Defined_Atom_Stereo_Count	0
110373	Mono_Isotopic_Weight	114.068079557
52942478	Hydrogen_Bond_Acceptor_Count	6
2482	Molecular_Weight	193.24
70680969	TPSA	66.1
8550	Total_Formal_Charge	0
16130957	Undefined_Atom_Stereo_Count	0
31593	Total_Formal_Charge	0
13449768	Isotope_Atom_Count	0
7632	Non-hydrogen_Atom_Count	12
585	Defined_Bond_Stereo_Count	0
46173707	Total_Formal_Charge	0
5365748	Tautomer_Count	1
518700	Defined_Bond_Stereo_Count	0
108032	Covalent_Unit_Count	1
79804	Mono_Isotopic_Weight	153.9159246
24944555	Exact_Mass	480.30680535
54688697	Undefined_Bond_Stereo_Count	0
10352112	Defined_Bond_Stereo_Count	0
4027	Covalent_Unit_Count	1
885569	Mono_Isotopic_Weight	264.982797
656668	Total_Formal_Charge	0
118209817	Covalent_Unit_Count	1
14529	Isotope_Atom_Count	0
8077	Hydrogen_Bond_Acceptor_Count	2
154240696	Defined_Atom_Stereo_Count	0
5715107	Total_Formal_Charge	0
53631972	XLogP3-AA	0.3
46869955	Isotope_Atom_Count	0
14221	Hydrogen_Bond_Acceptor_Count	1
143009217	Structure_Complexity	138
10038849	Defined_Bond_Stereo_Count	0
23663992	Defined_Bond_Stereo_Count	1
5454	Structure_Complexity	711
16219784	Isotope_Atom_Count	0
117979204	Covalent_Unit_Count	1
5354495	Non-hydrogen_Atom_Count	1
4196	Defined_Bond_Stereo_Count	0
16091082	Undefined_Atom_Stereo_Count	0
10302451	Undefined_Bond_Stereo_Count	0
129885959	Covalent_Unit_Count	1
106951	Defined_Bond_Stereo_Count	0
84063996	Structure_Complexity	68.9
4255874	Defined_Atom_Stereo_Count	0
25209	Exact_Mass	196.219100893
133268492	Hydrogen_Bond_Donor_Count	3
88447703	Covalent_Unit_Count	1
21685	Molecular_Weight	206.32
684	Molecular_Weight	564.3
71449585	Undefined_Bond_Stereo_Count	0
135403803	Undefined_Atom_Stereo_Count	0
126290	Molecular_Weight	510.7
101928367	Covalent_Unit_Count	1
5284391	Undefined_Bond_Stereo_Count	0
448545	Structure_Complexity	834
11962412	Hydrogen_Bond_Acceptor_Count	5
3050408	Mono_Isotopic_Weight	457.05554083
90397060	Defined_Bond_Stereo_Count	1
129696925	Covalent_Unit_Count	2
71496458	Isotope_Atom_Count	0
9821945	Total_Formal_Charge	0
7567	TPSA	6.5
77	Covalent_Unit_Count	1
19930616	Mono_Isotopic_Weight	99.068413911
81946	Covalent_Unit_Count	1
136873	Mono_Isotopic_Weight	99.068413911
159501	Defined_Bond_Stereo_Count	0
89168339	Structure_Complexity	113
17111	Mono_Isotopic_Weight	143.094628657
77372	Defined_Bond_Stereo_Count	0
13530	Mono_Isotopic_Weight	159.924948
8673	Defined_Bond_Stereo_Count	0
25435	Exact_Mass	526.28768825
472181	Defined_Bond_Stereo_Count	0
23662354	Undefined_Atom_Stereo_Count	0
34468	Isotope_Atom_Count	0
398517	Exact_Mass	410.14126175
57174031	Covalent_Unit_Count	1
81909	Total_Formal_Charge	0
8766	Total_Formal_Charge	0
50367	Rotatable_Bond_Count	3
53372724	Rotatable_Bond_Count	9
16129665	Undefined_Bond_Stereo_Count	0
11569158	Exact_Mass	477.1567673
27909	Rotatable_Bond_Count	1
639420	Undefined_Bond_Stereo_Count	0
79324217	Total_Formal_Charge	0
71464121	Undefined_Atom_Stereo_Count	0
561488	Covalent_Unit_Count	1
653817	Total_Formal_Charge	0
11374	Mono_Isotopic_Weight	145.052763847
69321	TPSA	45.8
3418	Molecular_Weight	218.10
171808	Total_Formal_Charge	0
4921	Molecular_Weight	844.4
9862	Exact_Mass	126.104465066
506015	Molecular_Weight	375.4
3037918	Structure_Complexity	352
44263854	Structure_Complexity	525
5251896	Exact_Mass	303.19467705
10288369	Defined_Bond_Stereo_Count	0
21824034	Hydrogen_Bond_Acceptor_Count	2
546902	Isotope_Atom_Count	0
19070644	Hydrogen_Bond_Donor_Count	0
6442793	Rotatable_Bond_Count	5
21162706	Undefined_Bond_Stereo_Count	0
50983	Exact_Mass	401.042525
67938294	XLogP3-AA	0.3
46902102	Mono_Isotopic_Weight	1114.49035070
54585373	Total_Formal_Charge	0
85557	Non-hydrogen_Atom_Count	14
5194779	Covalent_Unit_Count	1
69932654	Defined_Bond_Stereo_Count	0
12353957	Total_Formal_Charge	0
19104	Exact_Mass	335.188529040
118210808	Rotatable_Bond_Count	0
5284614	Hydrogen_Bond_Donor_Count	0
10081060	Hydrogen_Bond_Donor_Count	5
20499147	Hydrogen_Bond_Acceptor_Count	2
9817140	Undefined_Bond_Stereo_Count	0
2733660	Hydrogen_Bond_Donor_Count	0
14357	Structure_Complexity	269
23724965	TPSA	136
139105	Isotope_Atom_Count	0
6458	Rotatable_Bond_Count	3
53384391	Exact_Mass	1456.4334786
4173	Undefined_Bond_Stereo_Count	0
85787452	Structure_Complexity	134
162639137	Exact_Mass	422.15115773
2769656	Covalent_Unit_Count	1
3086576	Defined_Bond_Stereo_Count	0
212	Defined_Atom_Stereo_Count	0
13163973	Structure_Complexity	88.5
15709803	Covalent_Unit_Count	1
6456	Tautomer_Count	1
10398490	Isotope_Atom_Count	0
72665	Molecular_Weight	424.4
9533	Total_Formal_Charge	0
71253	Hydrogen_Bond_Acceptor_Count	7
15443631	Defined_Bond_Stereo_Count	0
10048368	Molecular_Weight	431.3
71808	Undefined_Atom_Stereo_Count	1
22086042	XLogP3-AA	1.5
5378825	XLogP3	1.7
12084878	Defined_Atom_Stereo_Count	0
82052	Undefined_Bond_Stereo_Count	0
9939594	Defined_Atom_Stereo_Count	5
680	Covalent_Unit_Count	1
16183	Hydrogen_Bond_Donor_Count	1
14679813	Structure_Complexity	1040
69340339	Structure_Complexity	76.8
4633	Hydrogen_Bond_Acceptor_Count	5
66112	Hydrogen_Bond_Donor_Count	0
13240724	TPSA	9.2
112230	Undefined_Atom_Stereo_Count	0
9447938	XLogP3	3.3
12594	Isotope_Atom_Count	0
73887162	Total_Formal_Charge	0
71305061	Hydrogen_Bond_Acceptor_Count	10
75345	Defined_Atom_Stereo_Count	0
77720	Isotope_Atom_Count	0
76970981	Hydrogen_Bond_Donor_Count	1
71270	Molecular_Weight	335.4
4278	Total_Formal_Charge	0
70099	Undefined_Atom_Stereo_Count	0
138756126	Undefined_Atom_Stereo_Count	6
59202444	Undefined_Atom_Stereo_Count	5
105709961	Isotope_Atom_Count	0
11408688	Covalent_Unit_Count	2
21326601	Covalent_Unit_Count	1
11148955	Hydrogen_Bond_Donor_Count	0
199480	Rotatable_Bond_Count	8
23083539	Molecular_Weight	118.17
653145	Exact_Mass	320.15362070
792027	Hydrogen_Bond_Donor_Count	1
85551668	Hydrogen_Bond_Acceptor_Count	4
421610	Rotatable_Bond_Count	7
945090	Defined_Atom_Stereo_Count	0
751	Rotatable_Bond_Count	2
276561	Isotope_Atom_Count	0
1301	Exact_Mass	252.07623855
16131097	Total_Formal_Charge	0
24621	Rotatable_Bond_Count	0
941651	Exact_Mass	443.17011952
3500	Hydrogen_Bond_Acceptor_Count	5
5327	XLogP3	0.3
23702658	Total_Formal_Charge	0
101739878	Rotatable_Bond_Count	1
77082	Covalent_Unit_Count	2
649153	Rotatable_Bond_Count	10
6918663	Defined_Atom_Stereo_Count	0
3568	Isotope_Atom_Count	0
57401205	Mono_Isotopic_Weight	462.14607235
130567	Rotatable_Bond_Count	8
14974	TPSA	228
1219	Isotope_Atom_Count	0
60815	Mono_Isotopic_Weight	376.19982200
66379	Isotope_Atom_Count	0
5460723	Hydrogen_Bond_Acceptor_Count	1
667449	Molecular_Weight	324.4
53319739	Molecular_Weight	279.29
98047	Non-hydrogen_Atom_Count	11
149697	Mono_Isotopic_Weight	373.14264148
8354	Rotatable_Bond_Count	1
9799979	Exact_Mass	379.22597718
68374690	XLogP3-AA	0.3
71259	TPSA	244
69849	Undefined_Atom_Stereo_Count	0
24884361	Structure_Complexity	94.2
70702001	Isotope_Atom_Count	0
118305111	Defined_Bond_Stereo_Count	0
47289	TPSA	62.6
21207	Molecular_Weight	299.28
11306	Undefined_Atom_Stereo_Count	0
14088498	Structure_Complexity	122
135398735	Defined_Atom_Stereo_Count	9
75258	Hydrogen_Bond_Acceptor_Count	10
31477	Rotatable_Bond_Count	8
5324278	Covalent_Unit_Count	1
5288674	Defined_Bond_Stereo_Count	3
10749156	Molecular_Weight	113.16
90087	Molecular_Weight	225.5
91543	XLogP3-AA	2.2
6904	Structure_Complexity	147
6572	Total_Formal_Charge	0
15113581	Exact_Mass	96.057514874
88922160	Covalent_Unit_Count	3
11957609	Undefined_Bond_Stereo_Count	0
7454	Defined_Atom_Stereo_Count	0
69117541	Covalent_Unit_Count	1
295042	Defined_Atom_Stereo_Count	0
383414	Non-hydrogen_Atom_Count	71
123800109	Undefined_Atom_Stereo_Count	5
12047567	Hydrogen_Bond_Acceptor_Count	19
10603	Defined_Atom_Stereo_Count	0
5324776	Total_Formal_Charge	0
5361309	Exact_Mass	434.16647101
10942371	Hydrogen_Bond_Acceptor_Count	2
104955	Hydrogen_Bond_Acceptor_Count	4
16240279	Structure_Complexity	910
87370	Hydrogen_Bond_Acceptor_Count	1
12544003	Molecular_Weight	100.16
122501	Covalent_Unit_Count	1
9862937	Defined_Atom_Stereo_Count	0
6694	Molecular_Weight	479.0
12240	Non-hydrogen_Atom_Count	8
101320272	Rotatable_Bond_Count	5
30923	Undefined_Bond_Stereo_Count	0
2118	Exact_Mass	308.0828741
22170205	Molecular_Weight	357.8
521289	Structure_Complexity	2.8
7569	Exact_Mass	393.339550376
1000	TPSA	46.2
96129	Hydrogen_Bond_Donor_Count	1
12661198	Hydrogen_Bond_Acceptor_Count	2
13808289	Non-hydrogen_Atom_Count	8
637932	Exact_Mass	84.05512859
46936772	Non-hydrogen_Atom_Count	42
86566	Covalent_Unit_Count	1
637892	Defined_Bond_Stereo_Count	1
52344	Defined_Atom_Stereo_Count	0
44310781	Covalent_Unit_Count	1
4171	Non-hydrogen_Atom_Count	19
23567801	Defined_Atom_Stereo_Count	0
24748573	Total_Formal_Charge	0
443944	Defined_Bond_Stereo_Count	0
7812	Non-hydrogen_Atom_Count	8
411312	Undefined_Bond_Stereo_Count	0
10823	TPSA	12.9
44392087	Isotope_Atom_Count	0
16212939	Undefined_Atom_Stereo_Count	0
45934213	Undefined_Bond_Stereo_Count	0
15257	Total_Formal_Charge	0
11675641	Defined_Atom_Stereo_Count	0
409	Non-hydrogen_Atom_Count	13
14103059	Undefined_Bond_Stereo_Count	0
18477728	Undefined_Bond_Stereo_Count	0
81923	Undefined_Atom_Stereo_Count	0
23690430	Structure_Complexity	248
10286159	Defined_Atom_Stereo_Count	3
122163231	Mono_Isotopic_Weight	108.99862027
11595431	Total_Formal_Charge	0
4122	Covalent_Unit_Count	1
51200	Mono_Isotopic_Weight	236.094963011
16090272	Rotatable_Bond_Count	4
135407408	Total_Formal_Charge	0
25015692	Undefined_Bond_Stereo_Count	0
31116	Tautomer_Count	8
134537	Mono_Isotopic_Weight	526.1441542
522996	XLogP3-AA	3.3
86289069	Hydrogen_Bond_Donor_Count	13
95483	XLogP3-AA	1.2
16718576	Defined_Bond_Stereo_Count	0
153939	Total_Formal_Charge	0
141697522	Hydrogen_Bond_Acceptor_Count	6
54681041	Molecular_Weight	585.6
24405	Mono_Isotopic_Weight	335.15935417
11027	Total_Formal_Charge	0
121599	Molecular_Weight	100.12
1753	Undefined_Atom_Stereo_Count	6
5311130	Covalent_Unit_Count	1
118665446	Mono_Isotopic_Weight	112.052429494
56955285	Rotatable_Bond_Count	3
71256	Hydrogen_Bond_Acceptor_Count	14
18397995	Undefined_Atom_Stereo_Count	6
3436	Non-hydrogen_Atom_Count	19
58660916	Isotope_Atom_Count	0
74857	Tautomer_Count	1
57255355	TPSA	32.8
90459541	Exact_Mass	109.052763847
53977611	Exact_Mass	102.068079557
9900	Defined_Atom_Stereo_Count	0
16958	Structure_Complexity	200
53736	Covalent_Unit_Count	1
6041	Hydrogen_Bond_Acceptor_Count	3
164135990	Total_Formal_Charge	0
159190124	Exact_Mass	1201.84136802
11589590	Undefined_Bond_Stereo_Count	0
122669	XLogP3-AA	1.8
4066093	Undefined_Bond_Stereo_Count	0
3081420	Exact_Mass	186.013186
16202184	Undefined_Atom_Stereo_Count	0
733076	Molecular_Weight	241.3
91723653	Hydrogen_Bond_Acceptor_Count	0
8934	Mono_Isotopic_Weight	319.1658058
4599	Undefined_Bond_Stereo_Count	0
157355	Undefined_Atom_Stereo_Count	0
3376	Molecular_Weight	494.6
4698	XLogP3-AA	3.6
10618	Defined_Bond_Stereo_Count	0
75472	Molecular_Weight	171.28
155290	TPSA	12.5
70257	XLogP3-AA	3.5
191841	Hydrogen_Bond_Donor_Count	3
93089	Mono_Isotopic_Weight	412.24947478
5281249	Undefined_Bond_Stereo_Count	0
63974	Exact_Mass	404.14845513
130510864	Structure_Complexity	94
12441297	Covalent_Unit_Count	1
5364711	TPSA	26.3
5464355	Undefined_Bond_Stereo_Count	0
5281069	Hydrogen_Bond_Donor_Count	2
118374185	Hydrogen_Bond_Acceptor_Count	2
557495	Mono_Isotopic_Weight	100.052429494
126968545	Structure_Complexity	609
14416477	Hydrogen_Bond_Acceptor_Count	7
11747	Total_Formal_Charge	0
75312	Isotope_Atom_Count	0
20378091	Isotope_Atom_Count	0
398637	Non-hydrogen_Atom_Count	28
74370	Non-hydrogen_Atom_Count	57
22058225	Isotope_Atom_Count	0
2156	Non-hydrogen_Atom_Count	31
9841	Isotope_Atom_Count	0
85912645	Molecular_Weight	98.10
4385988	XLogP3-AA	1.5
12571	Structure_Complexity	86.9
3078952	Defined_Atom_Stereo_Count	0
6918149	Hydrogen_Bond_Acceptor_Count	10
398570	Rotatable_Bond_Count	2
92886	Defined_Bond_Stereo_Count	0
65157	Structure_Complexity	739
151257062	Total_Formal_Charge	0
82938	Mono_Isotopic_Weight	247.895076
9320	Exact_Mass	418.35758248
11704625	Molecular_Weight	428.5
16029	Tautomer_Count	1
13220626	Undefined_Atom_Stereo_Count	4
70048	Defined_Atom_Stereo_Count	0
4219136	Defined_Bond_Stereo_Count	0
79069	TPSA	20.2
53689772	Undefined_Atom_Stereo_Count	0
13050832	Undefined_Bond_Stereo_Count	0
102248370	Non-hydrogen_Atom_Count	23
12248518	Exact_Mass	116.083729621
82763	Total_Formal_Charge	0
53321481	TPSA	96.6
1225	Covalent_Unit_Count	1
6359	TPSA	0
21349800	Hydrogen_Bond_Acceptor_Count	3
140152057	Undefined_Bond_Stereo_Count	0
11806375	Molecular_Weight	226.27
80467969	TPSA	20.2
54744	Hydrogen_Bond_Acceptor_Count	4
6999977	XLogP3-AA	1.1
139062655	Covalent_Unit_Count	4
16832	Defined_Bond_Stereo_Count	0
94617	Isotope_Atom_Count	0
124247	Hydrogen_Bond_Donor_Count	3
51918	Structure_Complexity	153
45085421	Non-hydrogen_Atom_Count	8
66036956	XLogP3-AA	0
722533	Defined_Bond_Stereo_Count	0
139307343	Hydrogen_Bond_Acceptor_Count	3
9031	Hydrogen_Bond_Acceptor_Count	1
24729360	Undefined_Bond_Stereo_Count	0
6099917	Covalent_Unit_Count	4
12097317	Covalent_Unit_Count	1
104981	Defined_Atom_Stereo_Count	0
11476771	Rotatable_Bond_Count	5
2724055	Undefined_Atom_Stereo_Count	0
138756229	Hydrogen_Bond_Donor_Count	2
10582755	Hydrogen_Bond_Acceptor_Count	1
14242109	Mono_Isotopic_Weight	114.104465066
2645	Mono_Isotopic_Weight	557.12501980
8270	Undefined_Bond_Stereo_Count	0
5072	Defined_Atom_Stereo_Count	0
5556	Hydrogen_Bond_Donor_Count	0
440005	Defined_Atom_Stereo_Count	1
38253	Exact_Mass	285.935512
11608582	Covalent_Unit_Count	1
81129	Molecular_Weight	185.02
41020	Structure_Complexity	538
76564	Exact_Mass	338.17380
59296000	Non-hydrogen_Atom_Count	32
89982	Hydrogen_Bond_Donor_Count	2
5280896	TPSA	74.6
1219	Undefined_Bond_Stereo_Count	0
11298500	Mono_Isotopic_Weight	194.167065321
20729555	Exact_Mass	114.104465066
9906028	Isotope_Atom_Count	0
10347501	Undefined_Atom_Stereo_Count	1
12313981	Hydrogen_Bond_Acceptor_Count	19
9984374	Isotope_Atom_Count	0
29647	Exact_Mass	515.99670823
18725	XLogP3	10.4
6539003	Hydrogen_Bond_Donor_Count	3
57215030	Molecular_Weight	108.14
44392148	Structure_Complexity	651
76415	Mono_Isotopic_Weight	308.083729621
91168	Structure_Complexity	143
31425	Structure_Complexity	744
190550	TPSA	38
7222	Hydrogen_Bond_Acceptor_Count	2
81818	Tautomer_Count	1
13662	Exact_Mass	173.047678466
57403932	Total_Formal_Charge	0
3089	Defined_Atom_Stereo_Count	0
3012	Defined_Atom_Stereo_Count	0
24838350	Mono_Isotopic_Weight	1058.31784
30623	Rotatable_Bond_Count	3
47320	Undefined_Bond_Stereo_Count	0
160743751	Undefined_Atom_Stereo_Count	0
6538	Structure_Complexity	255
98043897	TPSA	60.7
78130	TPSA	20.2
9849925	Undefined_Bond_Stereo_Count	0
23676745	Rotatable_Bond_Count	2
6722	Total_Formal_Charge	0
21075956	Defined_Atom_Stereo_Count	1
123134032	Structure_Complexity	953
23263244	TPSA	18.5
54493962	Total_Formal_Charge	0
13925935	Covalent_Unit_Count	1
13662	Total_Formal_Charge	0
5367460	Mono_Isotopic_Weight	306.255880323
10026007	Non-hydrogen_Atom_Count	28
52940827	Hydrogen_Bond_Acceptor_Count	5
86309268	Rotatable_Bond_Count	3
44412	Undefined_Atom_Stereo_Count	0
7340	Defined_Atom_Stereo_Count	0
86277930	Exact_Mass	799.1856278
21675743	Covalent_Unit_Count	1
70381	Defined_Atom_Stereo_Count	0
93500	Total_Formal_Charge	0
542567	Molecular_Weight	181.15
77137	Isotope_Atom_Count	0
31473	Defined_Bond_Stereo_Count	0
157736	Defined_Bond_Stereo_Count	0
135409474	Covalent_Unit_Count	1
17187	Rotatable_Bond_Count	24
12021642	TPSA	35.8
445461	Non-hydrogen_Atom_Count	61
604152	Mono_Isotopic_Weight	201.115364102
12600	Non-hydrogen_Atom_Count	14
11229455	XLogP3-AA	0.9
72424	Mono_Isotopic_Weight	830.22828114
20811	Hydrogen_Bond_Acceptor_Count	2
7910	Isotope_Atom_Count	0
44395044	Total_Formal_Charge	0
13590	Covalent_Unit_Count	1
43859	Mono_Isotopic_Weight	390.0789499
13610389	Rotatable_Bond_Count	0
22401764	Isotope_Atom_Count	0
2083	TPSA	72.7
105056	Undefined_Atom_Stereo_Count	0
58079819	Undefined_Bond_Stereo_Count	0
5765	Molecular_Weight	191.01
10453870	Undefined_Atom_Stereo_Count	0
95162410	Hydrogen_Bond_Acceptor_Count	11
6411	TPSA	83
49856296	Defined_Atom_Stereo_Count	0
457825	Mono_Isotopic_Weight	622.30428706
637794	Non-hydrogen_Atom_Count	12
136591997	Non-hydrogen_Atom_Count	7
55288256	Covalent_Unit_Count	1
139383946	Isotope_Atom_Count	0
83193	Non-hydrogen_Atom_Count	10
60196392	Non-hydrogen_Atom_Count	19
80428	Hydrogen_Bond_Acceptor_Count	0
22491623	Molecular_Weight	95.10
142796	Exact_Mass	68.026214747
104748	Structure_Complexity	24.8
21117948	Hydrogen_Bond_Donor_Count	0
29772	Rotatable_Bond_Count	10
13501022	Defined_Bond_Stereo_Count	0
226205	Covalent_Unit_Count	1
15327061	TPSA	40.5
17982942	Structure_Complexity	76.8
737769	Defined_Bond_Stereo_Count	0
6420149	Hydrogen_Bond_Acceptor_Count	4
21319	Mono_Isotopic_Weight	453.0561477
72392	Hydrogen_Bond_Donor_Count	8
124389585	Covalent_Unit_Count	1
71449988	Defined_Atom_Stereo_Count	0
131801066	Defined_Bond_Stereo_Count	0
123867984	TPSA	9.2
223	Defined_Atom_Stereo_Count	0
6424	Defined_Bond_Stereo_Count	0
80009	Defined_Atom_Stereo_Count	0
55604	Hydrogen_Bond_Donor_Count	0
78422653	Hydrogen_Bond_Acceptor_Count	3
76223940	TPSA	21.9
454844	Isotope_Atom_Count	0
90202	Undefined_Bond_Stereo_Count	0
6960	Hydrogen_Bond_Donor_Count	0
95483	Undefined_Atom_Stereo_Count	1
801132	Molecular_Weight	331.4
11088	Defined_Atom_Stereo_Count	0
18850	Exact_Mass	82.078250319
31285	Non-hydrogen_Atom_Count	9
21625926	Non-hydrogen_Atom_Count	7
136266076	Defined_Atom_Stereo_Count	0
209580	Hydrogen_Bond_Acceptor_Count	3
67631	TPSA	42.5
65287	Structure_Complexity	215
135938	Structure_Complexity	153
57164040	Exact_Mass	645.23224432
86307	TPSA	49.4
87457638	Defined_Atom_Stereo_Count	0
66070288	Rotatable_Bond_Count	2
29144	Defined_Atom_Stereo_Count	1
114809	Mono_Isotopic_Weight	205.85370
71394753	Non-hydrogen_Atom_Count	20
9865929	Isotope_Atom_Count	0
76172179	XLogP3-AA	3.1
1249	Undefined_Atom_Stereo_Count	2
163429552	Rotatable_Bond_Count	1
130013569	Non-hydrogen_Atom_Count	8
799	Covalent_Unit_Count	1
970	Isotope_Atom_Count	0
22749	Non-hydrogen_Atom_Count	8
265652	Exact_Mass	106.00885060
90410375	Undefined_Atom_Stereo_Count	0
21100	Rotatable_Bond_Count	4
54445181	Undefined_Atom_Stereo_Count	0
12302691	Isotope_Atom_Count	0
461003	Non-hydrogen_Atom_Count	31
29877	Mono_Isotopic_Weight	180.089877630
726050	Exact_Mass	271.10308534
57401370	Defined_Atom_Stereo_Count	1
41721	Rotatable_Bond_Count	1
55091	Structure_Complexity	123
12394645	Hydrogen_Bond_Acceptor_Count	1
72568	Hydrogen_Bond_Acceptor_Count	4
135413518	Non-hydrogen_Atom_Count	32
69946325	Exact_Mass	185.10519334
638047	Non-hydrogen_Atom_Count	7
4748	XLogP3	4.2
22875828	Exact_Mass	390.18425212
13388558	Molecular_Weight	310.27
38298	Exact_Mass	278.141913202
6432	Hydrogen_Bond_Acceptor_Count	8
101603227	Non-hydrogen_Atom_Count	52
205324	Rotatable_Bond_Count	0
135423095	Covalent_Unit_Count	2
12321787	Defined_Atom_Stereo_Count	1
16008685	Covalent_Unit_Count	1
11772257	Total_Formal_Charge	0
543885	Isotope_Atom_Count	0
75530316	Molecular_Weight	511.6
143647928	Structure_Complexity	107
517827	Undefined_Bond_Stereo_Count	0
87517	Isotope_Atom_Count	0
477	Hydrogen_Bond_Donor_Count	10
1219914	Undefined_Atom_Stereo_Count	0
14956	Tautomer_Count	2
219081	Defined_Bond_Stereo_Count	0
22672893	Exact_Mass	109.063997236
10772959	Hydrogen_Bond_Acceptor_Count	3
21702831	Undefined_Bond_Stereo_Count	0
129653419	Defined_Bond_Stereo_Count	0
13568501	Non-hydrogen_Atom_Count	8
44224133	Hydrogen_Bond_Acceptor_Count	4
98719	Molecular_Weight	255.40
16129911	Structure_Complexity	2700
498459	Undefined_Bond_Stereo_Count	0
115219	TPSA	137
320459	Undefined_Bond_Stereo_Count	1
114905	Hydrogen_Bond_Acceptor_Count	9
604152	Molecular_Weight	201.26
93234	Hydrogen_Bond_Acceptor_Count	4
12040512	TPSA	115
7095	XLogP3	4
9956189	TPSA	88.6
129980649	Hydrogen_Bond_Donor_Count	1
44570629	Hydrogen_Bond_Acceptor_Count	9
13611196	Covalent_Unit_Count	1
12479	Undefined_Atom_Stereo_Count	0
57548589	Hydrogen_Bond_Acceptor_Count	0
91582439	Rotatable_Bond_Count	0
449619	TPSA	64.9
1326	Isotope_Atom_Count	0
71359064	XLogP3-AA	1.1
37542	Structure_Complexity	304
4013	Covalent_Unit_Count	1
71783	Rotatable_Bond_Count	6
7044038	Defined_Atom_Stereo_Count	5
84693	Defined_Atom_Stereo_Count	0
51397022	Exact_Mass	424.23620751
21637412	Exact_Mass	410.24570956
44310303	Covalent_Unit_Count	1
444679	TPSA	20.2
118285	Rotatable_Bond_Count	4
166718	Tautomer_Count	1
683253	Undefined_Bond_Stereo_Count	0
38019	Mono_Isotopic_Weight	357.844416
144512943	Exact_Mass	100.063662883
933147	Mono_Isotopic_Weight	293.0138088
6800	Rotatable_Bond_Count	1
1519487	Covalent_Unit_Count	1
57392503	Undefined_Bond_Stereo_Count	0
53631972	Total_Formal_Charge	0
10072851	Rotatable_Bond_Count	5
555949	Undefined_Atom_Stereo_Count	2
3936	Tautomer_Count	1
21951770	Exact_Mass	111.05449518
80032	Isotope_Atom_Count	0
12103	Non-hydrogen_Atom_Count	9
6321411	Molecular_Weight	453.5
67638	Undefined_Atom_Stereo_Count	0
267898	Molecular_Weight	204.23
21830191	Covalent_Unit_Count	1
7165	Structure_Complexity	126
22646212	Defined_Bond_Stereo_Count	0
3780	Defined_Atom_Stereo_Count	0
3609	Total_Formal_Charge	0
6917674	Covalent_Unit_Count	1
86583	Structure_Complexity	257
6992020	Hydrogen_Bond_Donor_Count	0
5311429	Undefined_Atom_Stereo_Count	0
7852	Structure_Complexity	7.2
45116667	Isotope_Atom_Count	0
24968	Undefined_Bond_Stereo_Count	0
9862646	Undefined_Bond_Stereo_Count	0
21954	Structure_Complexity	143
9033	Covalent_Unit_Count	1
82502376	Isotope_Atom_Count	0
135742	Undefined_Bond_Stereo_Count	0
6433083	Undefined_Bond_Stereo_Count	0
154552978	Defined_Atom_Stereo_Count	0
66828839	Total_Formal_Charge	0
88483174	Defined_Bond_Stereo_Count	0
139352	Total_Formal_Charge	0
53297414	Undefined_Atom_Stereo_Count	2
686	Mono_Isotopic_Weight	548.08084212
10953	Exact_Mass	100.052429494
3045414	Tautomer_Count	3
19707	Total_Formal_Charge	0
692135	Isotope_Atom_Count	0
7710	Defined_Atom_Stereo_Count	0
65546	XLogP3	1.6
34328	TPSA	64.3
8067	XLogP3-AA	2.3
288549	TPSA	55.4
14437479	Total_Formal_Charge	0
19708414	Total_Formal_Charge	0
101658	Hydrogen_Bond_Acceptor_Count	6
387	Covalent_Unit_Count	1
112711232	Total_Formal_Charge	0
60196407	Rotatable_Bond_Count	13
4420	Molecular_Weight	380.78
3208	Defined_Atom_Stereo_Count	0
5311236	Total_Formal_Charge	0
60853	Mono_Isotopic_Weight	466.0997026
17142	Hydrogen_Bond_Acceptor_Count	6
12182	Structure_Complexity	107
148821664	Covalent_Unit_Count	1
12359154	Undefined_Atom_Stereo_Count	0
60148207	Mono_Isotopic_Weight	734.2492203
69698	Rotatable_Bond_Count	1
32816	Hydrogen_Bond_Donor_Count	2
9937618	Covalent_Unit_Count	3
6051	Non-hydrogen_Atom_Count	15
67818	Total_Formal_Charge	0
96135	Undefined_Bond_Stereo_Count	0
12740469	Structure_Complexity	103
242082	Structure_Complexity	119
123816	Isotope_Atom_Count	0
18430531	Structure_Complexity	77.7
11717831	Undefined_Bond_Stereo_Count	0
6651	Defined_Bond_Stereo_Count	0
25418	Total_Formal_Charge	0
7459	Defined_Atom_Stereo_Count	0
1387	XLogP3-AA	0.6
118087148	Undefined_Atom_Stereo_Count	2
72177	XLogP3-AA	5
53240376	Molecular_Weight	725.7
6451155	Non-hydrogen_Atom_Count	22
7764	Covalent_Unit_Count	1
2531445	Covalent_Unit_Count	1
49862578	Undefined_Atom_Stereo_Count	1
544638	Total_Formal_Charge	0
53870634	Total_Formal_Charge	0
10043211	XLogP3-AA	5.2
11296583	Defined_Atom_Stereo_Count	7
14819	Defined_Bond_Stereo_Count	0
16726630	Defined_Atom_Stereo_Count	0
17181	Total_Formal_Charge	0
72661	Total_Formal_Charge	0
13696436	Rotatable_Bond_Count	2
70715	Molecular_Weight	96.09
68933	Covalent_Unit_Count	1
54265485	Hydrogen_Bond_Donor_Count	2
1335	Exact_Mass	133.07389321
250451	Defined_Atom_Stereo_Count	0
78579	Isotope_Atom_Count	0
10163178	XLogP3-AA	3.6
574495	Undefined_Atom_Stereo_Count	12
5600	Rotatable_Bond_Count	26
23680530	Hydrogen_Bond_Donor_Count	2
21868524	Isotope_Atom_Count	0
57707	Hydrogen_Bond_Acceptor_Count	3
131411056	Mono_Isotopic_Weight	108.068748264
6442928	Mono_Isotopic_Weight	408.15326573
14536538	Hydrogen_Bond_Acceptor_Count	4
21326740	Undefined_Atom_Stereo_Count	0
69260946	XLogP3-AA	3.6
70269	Molecular_Weight	127.10
72266	Total_Formal_Charge	0
874	Non-hydrogen_Atom_Count	9
49855492	Non-hydrogen_Atom_Count	27
4447605	Non-hydrogen_Atom_Count	7
12769202	Total_Formal_Charge	0
7274	Exact_Mass	126.068079557
15535273	Non-hydrogen_Atom_Count	7
76280	TPSA	23.8
8169	Undefined_Bond_Stereo_Count	0
139593379	Non-hydrogen_Atom_Count	46
25799	Covalent_Unit_Count	1
20769	Molecular_Weight	128.17
12002494	Exact_Mass	454.0866393
439250	Exact_Mass	136.125200510
86705695	Total_Formal_Charge	0
15595455	Undefined_Bond_Stereo_Count	0
57481197	Total_Formal_Charge	0
144531850	Undefined_Atom_Stereo_Count	0
15979	Mono_Isotopic_Weight	268.313001276
12096001	Rotatable_Bond_Count	6
20096720	Mono_Isotopic_Weight	109.052763847
3622	Undefined_Bond_Stereo_Count	0
1377	Defined_Atom_Stereo_Count	0
16322	Undefined_Bond_Stereo_Count	0
72741573	XLogP3-AA	0.8
33786	Defined_Atom_Stereo_Count	0
63036	Defined_Atom_Stereo_Count	7
60966	Covalent_Unit_Count	2
7767	Total_Formal_Charge	0
13044948	XLogP3-AA	0.3
10883	Hydrogen_Bond_Acceptor_Count	3
70689830	Undefined_Bond_Stereo_Count	0
11652865	Rotatable_Bond_Count	2
23696271	Hydrogen_Bond_Acceptor_Count	5
20542700	TPSA	52.5
71580822	Rotatable_Bond_Count	5
10007	Isotope_Atom_Count	0
16129878	Mono_Isotopic_Weight	1700.1729741
86014	Exact_Mass	96.093900383
131744	Total_Formal_Charge	0
970	Undefined_Bond_Stereo_Count	0
5362712	Tautomer_Count	1
129816	Mono_Isotopic_Weight	387.14705815
69851796	Covalent_Unit_Count	1
9892815	Hydrogen_Bond_Donor_Count	2
39622	Mono_Isotopic_Weight	337.11142153
97736	Exact_Mass	239.094628657
114831	Defined_Bond_Stereo_Count	0
89292361	Mono_Isotopic_Weight	100.100048391
11199915	Mono_Isotopic_Weight	382.18925731
44531955	Covalent_Unit_Count	1
70763	Defined_Bond_Stereo_Count	0
34409	Molecular_Weight	352.3
136323	XLogP3-AA	2
57825229	Defined_Bond_Stereo_Count	0
443067	Defined_Atom_Stereo_Count	1
87468122	Rotatable_Bond_Count	3
23349319	Rotatable_Bond_Count	3
14586	Rotatable_Bond_Count	0
24578	Defined_Atom_Stereo_Count	0
41185	Isotope_Atom_Count	0
24737642	Hydrogen_Bond_Acceptor_Count	7
6857686	Undefined_Bond_Stereo_Count	0
65790	Defined_Atom_Stereo_Count	0
21325329	Covalent_Unit_Count	1
12213229	XLogP3-AA	3
138122	Rotatable_Bond_Count	0
129890070	Hydrogen_Bond_Donor_Count	0
76973216	Hydrogen_Bond_Donor_Count	4
1202	Undefined_Bond_Stereo_Count	2
71807	Defined_Atom_Stereo_Count	3
66908	Defined_Atom_Stereo_Count	0
56680189	Defined_Atom_Stereo_Count	0
68705	XLogP3-AA	4.8
124201453	Undefined_Atom_Stereo_Count	2
1470718	TPSA	57.1
85909569	Defined_Bond_Stereo_Count	0
24006	Defined_Bond_Stereo_Count	0
133667882	Hydrogen_Bond_Acceptor_Count	1
10848	Defined_Bond_Stereo_Count	0
45157475	Total_Formal_Charge	0
25202562	Molecular_Weight	356.75
99058	Undefined_Bond_Stereo_Count	0
71667668	Total_Formal_Charge	0
145458257	Isotope_Atom_Count	0
543237	Total_Formal_Charge	0
5635	Isotope_Atom_Count	0
134693234	Undefined_Bond_Stereo_Count	0
44423	Defined_Bond_Stereo_Count	0
18102	Structure_Complexity	175
409453	Hydrogen_Bond_Acceptor_Count	1
149519	Mono_Isotopic_Weight	348.19501140
9579050	Defined_Bond_Stereo_Count	1
87428	TPSA	27.7
16501	Rotatable_Bond_Count	3
17445	Mono_Isotopic_Weight	264.07799279
282471	Undefined_Bond_Stereo_Count	0
12724398	Mono_Isotopic_Weight	112.100048391
5324054	Total_Formal_Charge	0
8635	Exact_Mass	151.063328530
102491	Defined_Atom_Stereo_Count	0
16698	Structure_Complexity	305
5464186	Defined_Bond_Stereo_Count	0
32247	Mono_Isotopic_Weight	337.16126892
11594966	Hydrogen_Bond_Acceptor_Count	3
557134	Defined_Atom_Stereo_Count	0
69299	Rotatable_Bond_Count	3
86305	Undefined_Bond_Stereo_Count	0
15496999	Defined_Atom_Stereo_Count	0
53694406	Defined_Bond_Stereo_Count	0
6420010	Hydrogen_Bond_Acceptor_Count	8
13346	Tautomer_Count	1
129696858	TPSA	116
3751958	Total_Formal_Charge	1
630348	Mono_Isotopic_Weight	330.98441
66603137	Defined_Bond_Stereo_Count	0
5311055	Mono_Isotopic_Weight	364.26269704
11480819	Rotatable_Bond_Count	1
11382	Rotatable_Bond_Count	3
68822	Covalent_Unit_Count	1
75412563	Mono_Isotopic_Weight	433.71509
2680	Hydrogen_Bond_Donor_Count	2
19371857	Total_Formal_Charge	0
160538	Non-hydrogen_Atom_Count	10
10034579	Total_Formal_Charge	0
7017	Total_Formal_Charge	0
135565635	Rotatable_Bond_Count	2
40960	XLogP3	4.6
25209	Undefined_Bond_Stereo_Count	1
69803	Non-hydrogen_Atom_Count	12
6995013	Rotatable_Bond_Count	6
120	Total_Formal_Charge	0
127832	Total_Formal_Charge	0
6662	Rotatable_Bond_Count	3
1341	Mono_Isotopic_Weight	378.24062418
315201	Undefined_Atom_Stereo_Count	2
10146470	Tautomer_Count	2
67948733	TPSA	98.1
66624275	Undefined_Atom_Stereo_Count	0
4235	Isotope_Atom_Count	0
13776	Mono_Isotopic_Weight	516.23277935
23684677	Isotope_Atom_Count	0
546	Defined_Bond_Stereo_Count	0
5281404	Isotope_Atom_Count	0
89518751	Mono_Isotopic_Weight	342.11621151
724045	Undefined_Atom_Stereo_Count	0
688570	XLogP3-AA	2.3
6438376	TPSA	135
33135	Defined_Atom_Stereo_Count	0
9183	Undefined_Bond_Stereo_Count	0
70309	Non-hydrogen_Atom_Count	12
77589	TPSA	57.5
10079	Defined_Bond_Stereo_Count	0
5376	Undefined_Bond_Stereo_Count	1
8805	Structure_Complexity	222
16316	Rotatable_Bond_Count	8
44146693	Undefined_Bond_Stereo_Count	0
151497	Total_Formal_Charge	0
91586	Rotatable_Bond_Count	2
72378	Isotope_Atom_Count	0
149755	Total_Formal_Charge	0
5355858	TPSA	26.3
5283748	Structure_Complexity	688
11953153	Exact_Mass	489.14110016
77946	Covalent_Unit_Count	1
3702	Exact_Mass	365.0600902
288	TPSA	60.4
16076883	TPSA	191
505	TPSA	213
12648279	Mono_Isotopic_Weight	134.0498427
7643	Hydrogen_Bond_Acceptor_Count	2
54732122	Exact_Mass	324.09977361
167195	Defined_Bond_Stereo_Count	0
10012220	Total_Formal_Charge	0
10125048	Hydrogen_Bond_Donor_Count	2
26731	Defined_Atom_Stereo_Count	0
64236	XLogP3-AA	1.8
63992	Defined_Atom_Stereo_Count	0
10866248	Molecular_Weight	18.055
1966	Defined_Bond_Stereo_Count	0
15584178	Undefined_Bond_Stereo_Count	0
5373773	Mono_Isotopic_Weight	250.12050905
2745	Total_Formal_Charge	0
71145	Undefined_Bond_Stereo_Count	0
87060437	Structure_Complexity	688
5326971	Mono_Isotopic_Weight	529.20066941
45085092	Covalent_Unit_Count	1
70362185	Exact_Mass	97.052763847
37109	Isotope_Atom_Count	0
24901351	XLogP3-AA	3.3
639102	Defined_Atom_Stereo_Count	0
9555	Defined_Bond_Stereo_Count	0
160765	Tautomer_Count	1
2578	Structure_Complexity	156
64466	Defined_Atom_Stereo_Count	0
363272	Non-hydrogen_Atom_Count	23
7415	Covalent_Unit_Count	1
413457	Hydrogen_Bond_Donor_Count	3
124202844	Exact_Mass	479.09438454
129848458	XLogP3-AA	5
119032	Defined_Bond_Stereo_Count	0
7505	Hydrogen_Bond_Donor_Count	0
61220	Non-hydrogen_Atom_Count	11
2455	Defined_Atom_Stereo_Count	0
11291	Non-hydrogen_Atom_Count	20
572065	Structure_Complexity	161
14013	Structure_Complexity	24.8
6688	Covalent_Unit_Count	1
6539029	Covalent_Unit_Count	1
10866300	Covalent_Unit_Count	1
57448758	Hydrogen_Bond_Donor_Count	9
21996048	Covalent_Unit_Count	1
11400741	Defined_Atom_Stereo_Count	0
11524680	Exact_Mass	424.35526001
15788366	TPSA	66.2
11969781	Molecular_Weight	643.6
79000	Non-hydrogen_Atom_Count	8
19539	XLogP3	3.9
10299410	Defined_Bond_Stereo_Count	0
57800	Molecular_Weight	408.3
68316842	Covalent_Unit_Count	1
20097868	Structure_Complexity	98.2
12285856	Undefined_Atom_Stereo_Count	1
5241	Tautomer_Count	1
71361084	Defined_Bond_Stereo_Count	0
66577116	Undefined_Atom_Stereo_Count	1
76118878	Structure_Complexity	127
6479	Isotope_Atom_Count	0
18622366	Exact_Mass	112.063662883
15123308	Non-hydrogen_Atom_Count	20
70689387	Molecular_Weight	477.5
635186	Covalent_Unit_Count	1
54261087	TPSA	40.5
5378293	Isotope_Atom_Count	0
983	Exact_Mass	257.90955735
13200	TPSA	20.2
16097	Covalent_Unit_Count	1
19549	Molecular_Weight	199.63
40753	Hydrogen_Bond_Acceptor_Count	4
9295	Total_Formal_Charge	0
119391	Mono_Isotopic_Weight	85.99386925
92023654	Molecular_Weight	665.7
26462	Total_Formal_Charge	0
146345448	Hydrogen_Bond_Acceptor_Count	3
12960	XLogP3-AA	0
2881	Undefined_Atom_Stereo_Count	0
97127	Undefined_Atom_Stereo_Count	0
23679004	Isotope_Atom_Count	0
18377249	Defined_Atom_Stereo_Count	0
5904	Molecular_Weight	334.4
5280933	XLogP3-AA	5.9
118613234	Isotope_Atom_Count	0
5329027	Non-hydrogen_Atom_Count	29
3656821	Hydrogen_Bond_Donor_Count	2
5311429	Tautomer_Count	2
18377249	Rotatable_Bond_Count	2
14808025	Hydrogen_Bond_Donor_Count	1
101063449	Exact_Mass	442.19915329
4164	Mono_Isotopic_Weight	271.06669983
12554265	Isotope_Atom_Count	0
140449	Molecular_Weight	83.09
448374	Mono_Isotopic_Weight	267.09675391
7146283	Hydrogen_Bond_Acceptor_Count	6
53667465	Structure_Complexity	89.9
16126651	Mono_Isotopic_Weight	440.19607403
225674	Exact_Mass	220.100048391
164034646	TPSA	47.6
71541096	Isotope_Atom_Count	0
27872	Undefined_Atom_Stereo_Count	0
21131860	Undefined_Bond_Stereo_Count	0
37207	Non-hydrogen_Atom_Count	15
25058186	Rotatable_Bond_Count	2
762556	Undefined_Atom_Stereo_Count	0
7656	Isotope_Atom_Count	0
6327350	Rotatable_Bond_Count	4
16682804	Undefined_Atom_Stereo_Count	0
22203	Hydrogen_Bond_Acceptor_Count	5
1118	Total_Formal_Charge	0
54460807	XLogP3-AA	1.3
10628031	Defined_Atom_Stereo_Count	8
2072949	Defined_Bond_Stereo_Count	0
53668108	Molecular_Weight	112.13
20739	XLogP3	2.6
53693033	Rotatable_Bond_Count	2
135814155	Molecular_Weight	500.5
9912381	Molecular_Weight	466.6
443874	Defined_Bond_Stereo_Count	0
79104	Exact_Mass	86.073164938
118513932	Covalent_Unit_Count	1
580057	Defined_Atom_Stereo_Count	0
136790	Rotatable_Bond_Count	3
20162	Total_Formal_Charge	0
66615270	Isotope_Atom_Count	0
74574	Total_Formal_Charge	0
51358375	Undefined_Bond_Stereo_Count	0
135409535	Hydrogen_Bond_Donor_Count	4
18847	Tautomer_Count	1
11954319	Rotatable_Bond_Count	4
1382059	Structure_Complexity	113
7571	Non-hydrogen_Atom_Count	17
7659	TPSA	26.3
295258	XLogP3	3
71304	Defined_Bond_Stereo_Count	0
22271690	Isotope_Atom_Count	0
6529	Defined_Atom_Stereo_Count	0
2160	Covalent_Unit_Count	1
12724397	Structure_Complexity	107
54537	Undefined_Bond_Stereo_Count	0
23749	Tautomer_Count	1
53643899	Structure_Complexity	146
7579	Total_Formal_Charge	0
22049997	Mono_Isotopic_Weight	476.05471
14478661	Structure_Complexity	72.5
10333656	Undefined_Atom_Stereo_Count	0
1450	Covalent_Unit_Count	1
15939271	Total_Formal_Charge	0
57780614	Defined_Atom_Stereo_Count	0
22411865	Molecular_Weight	336.12
119098289	Defined_Bond_Stereo_Count	0
2822	Undefined_Bond_Stereo_Count	0
643976	Rotatable_Bond_Count	7
6971096	Covalent_Unit_Count	1
5289394	Tautomer_Count	4
55748	Mono_Isotopic_Weight	280.07355886
12562238	Rotatable_Bond_Count	2
545809	Hydrogen_Bond_Donor_Count	1
159772	Tautomer_Count	4
16049160	XLogP3-AA	2.9
88035911	Structure_Complexity	459
122173994	Molecular_Weight	287.4
813505	Mono_Isotopic_Weight	277.0254188
96088	Defined_Bond_Stereo_Count	0
32912	Mono_Isotopic_Weight	256.240230259
14231	Undefined_Atom_Stereo_Count	1
32801	TPSA	40.5
53436345	Non-hydrogen_Atom_Count	7
5486182	Hydrogen_Bond_Acceptor_Count	12
66071	Exact_Mass	88.100048391
73124	Rotatable_Bond_Count	3
493	Hydrogen_Bond_Acceptor_Count	21
16693	Mono_Isotopic_Weight	187.9795702
212	Hydrogen_Bond_Donor_Count	4
40998	Rotatable_Bond_Count	13
123630	Hydrogen_Bond_Donor_Count	1
145720674	Rotatable_Bond_Count	7
443971	Defined_Atom_Stereo_Count	0
123835510	Isotope_Atom_Count	0
564864	XLogP3	3.8
133562683	Molecular_Weight	721.8
96284	Total_Formal_Charge	0
524409	Covalent_Unit_Count	1
9889200	Mono_Isotopic_Weight	395.09397721
86595083	Isotope_Atom_Count	0
146158693	Defined_Atom_Stereo_Count	2
1465	Isotope_Atom_Count	0
16015	Rotatable_Bond_Count	2
698716	Undefined_Atom_Stereo_Count	0
10240	Structure_Complexity	307
82789	Undefined_Bond_Stereo_Count	0
123167244	TPSA	18.5
5903	Defined_Bond_Stereo_Count	0
439196	Hydrogen_Bond_Acceptor_Count	4
14017	Covalent_Unit_Count	1
5460467	Exact_Mass	9.0121831
146678	Defined_Bond_Stereo_Count	0
8186	Hydrogen_Bond_Donor_Count	0
95402	Hydrogen_Bond_Acceptor_Count	2
51086	Covalent_Unit_Count	1
11867	Exact_Mass	173.99867984
91322204	Mono_Isotopic_Weight	112.088815002
9434	Isotope_Atom_Count	0
254656	Exact_Mass	198.07529019
53364498	Covalent_Unit_Count	1
117476	Hydrogen_Bond_Acceptor_Count	2
78438	Isotope_Atom_Count	0
68381	Covalent_Unit_Count	1
114523	XLogP3-AA	2.6
2790	XLogP3-AA	3
79811	Defined_Atom_Stereo_Count	0
8080	Isotope_Atom_Count	0
57131946	Undefined_Bond_Stereo_Count	3
98471	Hydrogen_Bond_Acceptor_Count	2
71456722	Non-hydrogen_Atom_Count	35
17841522	Undefined_Bond_Stereo_Count	0
830	Non-hydrogen_Atom_Count	12
7054	Hydrogen_Bond_Acceptor_Count	2
38252	Non-hydrogen_Atom_Count	15
117265544	Defined_Atom_Stereo_Count	0
13424663	Undefined_Atom_Stereo_Count	0
28615	Structure_Complexity	292
18673160	Defined_Bond_Stereo_Count	0
146158371	Hydrogen_Bond_Acceptor_Count	10
91171	Structure_Complexity	52.5
4039	Undefined_Atom_Stereo_Count	0
32423	TPSA	73.2
75786	TPSA	26.3
66660558	TPSA	18.5
8737	Hydrogen_Bond_Donor_Count	4
135413528	Hydrogen_Bond_Donor_Count	1
6436223	Non-hydrogen_Atom_Count	44
547686	Undefined_Atom_Stereo_Count	0
132157	Defined_Atom_Stereo_Count	0
9906028	TPSA	87.4
19366304	Rotatable_Bond_Count	7
13748845	Mono_Isotopic_Weight	405.21403034
54573150	Structure_Complexity	137
20749	Isotope_Atom_Count	0
71343993	TPSA	52.8
5311504	TPSA	54.4
5257127	Defined_Bond_Stereo_Count	0
65909	Hydrogen_Bond_Donor_Count	1
69462477	Isotope_Atom_Count	0
53881088	TPSA	57.9
36652	Covalent_Unit_Count	1
9868580	Undefined_Bond_Stereo_Count	0
402875	Defined_Bond_Stereo_Count	0
30913	Hydrogen_Bond_Acceptor_Count	5
154000	XLogP3-AA	4
90956916	Non-hydrogen_Atom_Count	8
852933	Structure_Complexity	490
6996	Hydrogen_Bond_Acceptor_Count	1
44402	Tautomer_Count	3
82479	TPSA	59.8
6435500	Hydrogen_Bond_Acceptor_Count	7
156617849	Isotope_Atom_Count	0
10931371	Mono_Isotopic_Weight	97.089149355
520217	Defined_Atom_Stereo_Count	0
694981	Tautomer_Count	2
25131330	TPSA	81.3
10145345	Hydrogen_Bond_Donor_Count	0
253193	Covalent_Unit_Count	1
7840	Rotatable_Bond_Count	1
126569786	Structure_Complexity	2330
4549	TPSA	95.2
5357580	Hydrogen_Bond_Acceptor_Count	4
54655	TPSA	36.9
123385	Defined_Bond_Stereo_Count	0
66550979	Hydrogen_Bond_Donor_Count	2
25102936	Defined_Bond_Stereo_Count	0
9949848	Total_Formal_Charge	0
112680	Isotope_Atom_Count	0
19092	Defined_Bond_Stereo_Count	0
11543746	XLogP3-AA	2.3
17948	Non-hydrogen_Atom_Count	18
377339	Hydrogen_Bond_Acceptor_Count	5
378443	Defined_Atom_Stereo_Count	0
62413	TPSA	6.5
4820	Non-hydrogen_Atom_Count	20
107807	Defined_Bond_Stereo_Count	0
67810472	Non-hydrogen_Atom_Count	23
117890905	Defined_Bond_Stereo_Count	0
246511	Defined_Bond_Stereo_Count	0
5498	Defined_Bond_Stereo_Count	0
10660	Exact_Mass	469.1880675
222284	Structure_Complexity	634
11908451	TPSA	190
15584178	Defined_Atom_Stereo_Count	0
118705485	Undefined_Atom_Stereo_Count	1
85668777	Total_Formal_Charge	0
36906	XLogP3	1
70732	XLogP3-AA	1.3
24950485	Isotope_Atom_Count	0
242364	Hydrogen_Bond_Donor_Count	2
15973	Defined_Atom_Stereo_Count	0
524766	Rotatable_Bond_Count	2
135421876	Defined_Bond_Stereo_Count	0
51030529	Hydrogen_Bond_Donor_Count	0
23674739	Defined_Atom_Stereo_Count	0
9851505	Structure_Complexity	141
31679	Tautomer_Count	1
65923	XLogP3-AA	2.7
16135625	Exact_Mass	1410.67744153
121494046	Rotatable_Bond_Count	1
26731	Hydrogen_Bond_Acceptor_Count	2
141897	Tautomer_Count	1
105426940	Hydrogen_Bond_Donor_Count	2
6429536	Mono_Isotopic_Weight	199.93343
6440900	Defined_Atom_Stereo_Count	0
18755330	Exact_Mass	102.068079557
34769	XLogP3-AA	0.5
363357	Mono_Isotopic_Weight	326.235813585
73761	XLogP3-AA	0.7
81349	TPSA	32.5
135487863	Exact_Mass	204.15862589
60195811	Structure_Complexity	449
56662035	Defined_Atom_Stereo_Count	0
135506152	Molecular_Weight	112.09
3015914	Isotope_Atom_Count	0
154202106	Hydrogen_Bond_Acceptor_Count	4
8914	Covalent_Unit_Count	1
132192027	Covalent_Unit_Count	1
24585	Defined_Bond_Stereo_Count	0
57780676	Molecular_Weight	102.14
57247629	Isotope_Atom_Count	0
20759975	Non-hydrogen_Atom_Count	7
33627	Non-hydrogen_Atom_Count	32
139692	TPSA	0
11153672	Isotope_Atom_Count	0
72614909	Total_Formal_Charge	0
91010248	XLogP3-AA	3.4
6971127	Molecular_Weight	128.21
3081364	Structure_Complexity	242
165491	Exact_Mass	665.10096317
53674114	Structure_Complexity	128
5282198	Molecular_Weight	266.4
14081616	Total_Formal_Charge	0
100933147	Mono_Isotopic_Weight	748.38813582
68365445	Defined_Bond_Stereo_Count	0
23649154	TPSA	56.5
9568613	Covalent_Unit_Count	3
49087	Undefined_Bond_Stereo_Count	0
6289	Non-hydrogen_Atom_Count	19
6051	Hydrogen_Bond_Donor_Count	1
69779590	Non-hydrogen_Atom_Count	7
97325	Undefined_Bond_Stereo_Count	0
97497	Molecular_Weight	96.13
121250	Exact_Mass	122.04015073
12598088	Hydrogen_Bond_Acceptor_Count	1
9860424	Hydrogen_Bond_Donor_Count	2
3396	Total_Formal_Charge	0
111032	Hydrogen_Bond_Donor_Count	0
11497836	Total_Formal_Charge	0
5281099	Defined_Atom_Stereo_Count	13
12256	TPSA	9.2
15950	Defined_Bond_Stereo_Count	0
161830	Rotatable_Bond_Count	1
756	Hydrogen_Bond_Acceptor_Count	2
13586830	Mono_Isotopic_Weight	98.000393922
11543	Structure_Complexity	48.1
691156	Defined_Bond_Stereo_Count	0
98047379	Mono_Isotopic_Weight	284.16237386
75040	Hydrogen_Bond_Acceptor_Count	1
12377442	Undefined_Bond_Stereo_Count	0
123754760	Hydrogen_Bond_Donor_Count	0
3084338	Molecular_Weight	284.4
19188	Covalent_Unit_Count	1
91395	Covalent_Unit_Count	1
40826	Covalent_Unit_Count	1
4454	Rotatable_Bond_Count	9
61347	Mono_Isotopic_Weight	124.100048391
134689739	Undefined_Atom_Stereo_Count	0
3923	Hydrogen_Bond_Donor_Count	2
31872	Total_Formal_Charge	0
678081	Hydrogen_Bond_Acceptor_Count	4
68494	Mono_Isotopic_Weight	286.05897142
6445008	Defined_Bond_Stereo_Count	1
135446210	Defined_Bond_Stereo_Count	0
71679	Isotope_Atom_Count	0
10452	Undefined_Atom_Stereo_Count	0
90297	Defined_Bond_Stereo_Count	0
43454	Non-hydrogen_Atom_Count	19
72187525	Defined_Bond_Stereo_Count	5
9930448	Non-hydrogen_Atom_Count	28
60196269	Non-hydrogen_Atom_Count	22
5053558	Undefined_Bond_Stereo_Count	0
137967	Undefined_Atom_Stereo_Count	0
5742590	Undefined_Bond_Stereo_Count	0
10058531	Rotatable_Bond_Count	4
93032	TPSA	78.6
6919051	Hydrogen_Bond_Acceptor_Count	6
45358084	Undefined_Atom_Stereo_Count	0
6194	Structure_Complexity	288
57637187	Total_Formal_Charge	0
74811	Hydrogen_Bond_Acceptor_Count	2
23670844	Exact_Mass	267.96536795
15004	Rotatable_Bond_Count	11
122130	Tautomer_Count	12
881	Exact_Mass	15.0234750957
61691030	Total_Formal_Charge	0
23831	Undefined_Bond_Stereo_Count	0
236566	Hydrogen_Bond_Acceptor_Count	3
9578	TPSA	0
12695798	Isotope_Atom_Count	0
443046	Non-hydrogen_Atom_Count	31
136101	Structure_Complexity	76.2
15633846	Non-hydrogen_Atom_Count	8
637146	Hydrogen_Bond_Donor_Count	0
162302	Molecular_Weight	291.4
82313	Exact_Mass	221.08993720
112553	Mono_Isotopic_Weight	168.115029749
71453618	Non-hydrogen_Atom_Count	28
8747	Undefined_Atom_Stereo_Count	0
135391135	Isotope_Atom_Count	0
6384	Molecular_Weight	148.91
36235	TPSA	178
90757303	Hydrogen_Bond_Donor_Count	1
20061	Defined_Bond_Stereo_Count	0
12115801	Rotatable_Bond_Count	0
692159	Molecular_Weight	338.2
34549	Tautomer_Count	2
91561252	Mono_Isotopic_Weight	112.088815002
22834577	Molecular_Weight	3464.0
877	Defined_Bond_Stereo_Count	0
41088	Total_Formal_Charge	0
5460044	Molecular_Weight	182.17
25102	Molecular_Weight	370.4
31635	Non-hydrogen_Atom_Count	18
45084999	Hydrogen_Bond_Acceptor_Count	2
28187	Tautomer_Count	1
4023	TPSA	90.4
9918581	Hydrogen_Bond_Donor_Count	4
637758	XLogP3	3
241419	Hydrogen_Bond_Acceptor_Count	4
76965007	Non-hydrogen_Atom_Count	26
21187507	Undefined_Bond_Stereo_Count	0
62388	Undefined_Atom_Stereo_Count	2
534954	Isotope_Atom_Count	0
16683	Hydrogen_Bond_Donor_Count	0
39040	Exact_Mass	189.03606841
13529145	Hydrogen_Bond_Acceptor_Count	1
130804992	Defined_Atom_Stereo_Count	0
19604021	Molecular_Weight	98.15
107349	XLogP3-AA	2.8
6314	Hydrogen_Bond_Acceptor_Count	2
136261376	TPSA	42.7
292	Defined_Bond_Stereo_Count	0
2743	XLogP3	3.4
4810	Exact_Mass	241.0730377
58970	Defined_Atom_Stereo_Count	0
46911864	Defined_Bond_Stereo_Count	2
164158597	Non-hydrogen_Atom_Count	8
5353431	Non-hydrogen_Atom_Count	14
90488914	TPSA	272
129009927	Covalent_Unit_Count	1
139595131	Defined_Atom_Stereo_Count	13
87468088	Defined_Atom_Stereo_Count	0
11100989	Isotope_Atom_Count	0
23617198	Molecular_Weight	458.9
135565106	Total_Formal_Charge	0
150929	Hydrogen_Bond_Donor_Count	3
5248373	Covalent_Unit_Count	1
8250	TPSA	82.2
17652	Molecular_Weight	153.18
123688932	Defined_Atom_Stereo_Count	0
22390912	Isotope_Atom_Count	0
12654270	Structure_Complexity	101
62281	Structure_Complexity	418
12394846	Total_Formal_Charge	0
637885	TPSA	58.9
446596	Defined_Bond_Stereo_Count	1
66636	TPSA	59
12724398	Molecular_Weight	112.17
21391554	Exact_Mass	101.047678466
31236	Defined_Bond_Stereo_Count	0
87962	Molecular_Weight	205.30
71306478	TPSA	172
7747	Defined_Atom_Stereo_Count	0
4059	Mono_Isotopic_Weight	182.094294304
44410869	Molecular_Weight	459.9
13241308	Hydrogen_Bond_Acceptor_Count	3
44241626	Molecular_Weight	499.9
44144474	Molecular_Weight	631.8
73889	TPSA	41.1
453214	Isotope_Atom_Count	0
71449007	Mono_Isotopic_Weight	1914.8077146
173548	Defined_Bond_Stereo_Count	0
136920818	Hydrogen_Bond_Acceptor_Count	3
5421897	Non-hydrogen_Atom_Count	23
99271	Total_Formal_Charge	0
54712667	Undefined_Atom_Stereo_Count	0
6986	Structure_Complexity	149
8683	Structure_Complexity	189
6652	Mono_Isotopic_Weight	204.151415257
11597936	Covalent_Unit_Count	1
71316600	Isotope_Atom_Count	0
90878759	Defined_Bond_Stereo_Count	0
5354043	Exact_Mass	286.229665576
4178	Hydrogen_Bond_Acceptor_Count	2
5486198	Covalent_Unit_Count	1
146480	Exact_Mass	148.06703418
96092	Hydrogen_Bond_Donor_Count	1
40500	Molecular_Weight	395.3
373735	Rotatable_Bond_Count	8
97535	Non-hydrogen_Atom_Count	32
16719897	Undefined_Atom_Stereo_Count	0
53232451	Total_Formal_Charge	0
162344865	Covalent_Unit_Count	2
46203391	Defined_Atom_Stereo_Count	0
44093	Non-hydrogen_Atom_Count	14
369219	TPSA	20.3
71758314	TPSA	37.3
7936	Covalent_Unit_Count	1
12130	Tautomer_Count	1
101484762	Undefined_Atom_Stereo_Count	3
75564	Hydrogen_Bond_Donor_Count	1
13510025	Undefined_Atom_Stereo_Count	0
49993	XLogP3-AA	3.1
107770	Undefined_Atom_Stereo_Count	2
135409409	Covalent_Unit_Count	1
66783827	Non-hydrogen_Atom_Count	5
106729	Covalent_Unit_Count	1
129721137	Covalent_Unit_Count	1
80792	TPSA	26.3
104845	Exact_Mass	332.23514488
30107	XLogP3-AA	4.6
24752885	Structure_Complexity	311
62551	Defined_Atom_Stereo_Count	0
98148766	Total_Formal_Charge	0
3813	XLogP3-AA	2.8
69834	Hydrogen_Bond_Donor_Count	0
12309464	Hydrogen_Bond_Donor_Count	0
15809	Total_Formal_Charge	0
40467109	Molecular_Weight	349.4
441325	TPSA	42.7
15078	Hydrogen_Bond_Donor_Count	3
11048	Hydrogen_Bond_Donor_Count	0
78858	Defined_Bond_Stereo_Count	0
10953450	Defined_Bond_Stereo_Count	0
33603	Molecular_Weight	212.25
9898827	Structure_Complexity	144
25101755	Covalent_Unit_Count	1
62015	Hydrogen_Bond_Donor_Count	0
88153493	Undefined_Bond_Stereo_Count	0
90432	Isotope_Atom_Count	0
43331	TPSA	50.8
67448671	Molecular_Weight	235.28
55404	Covalent_Unit_Count	1
19859	Isotope_Atom_Count	0
36613	Tautomer_Count	1
5369129	Undefined_Bond_Stereo_Count	0
57023262	Undefined_Bond_Stereo_Count	1
11462536	TPSA	35.5
9862634	Total_Formal_Charge	0
24848419	TPSA	93.5
18336916	Exact_Mass	97.089149355
12532405	Defined_Atom_Stereo_Count	0
40399	Undefined_Bond_Stereo_Count	0
107202	Tautomer_Count	1
89332529	Hydrogen_Bond_Acceptor_Count	6
408536	Structure_Complexity	500
81512	Non-hydrogen_Atom_Count	7
6018	Rotatable_Bond_Count	4
11243457	Covalent_Unit_Count	2
2137	Hydrogen_Bond_Donor_Count	1
9812414	Mono_Isotopic_Weight	594.98190558
11206	Undefined_Atom_Stereo_Count	0
11804701	Defined_Bond_Stereo_Count	0
7190	Defined_Atom_Stereo_Count	0
69627068	Covalent_Unit_Count	1
5284597	Defined_Atom_Stereo_Count	6
5365369	Molecular_Weight	337.6
11612445	Undefined_Atom_Stereo_Count	1
20299878	Non-hydrogen_Atom_Count	7
27686	Covalent_Unit_Count	1
4385988	TPSA	118
57187562	Defined_Bond_Stereo_Count	0
54325138	Mono_Isotopic_Weight	99.032028402
92400	Non-hydrogen_Atom_Count	29
31877	Molecular_Weight	85.10
78759283	Isotope_Atom_Count	0
7185	Covalent_Unit_Count	1
10574415	Undefined_Atom_Stereo_Count	0
71541190	Undefined_Bond_Stereo_Count	0
14767815	XLogP3-AA	0.6
133562737	TPSA	161
1153	Structure_Complexity	176
5426	Total_Formal_Charge	0
5284553	Hydrogen_Bond_Acceptor_Count	12
54231313	Undefined_Bond_Stereo_Count	0
25050	Rotatable_Bond_Count	1
102428	Molecular_Weight	327.8
11677589	Covalent_Unit_Count	1
68638786	Covalent_Unit_Count	2
398661	Undefined_Bond_Stereo_Count	0
12729	Total_Formal_Charge	0
130	Isotope_Atom_Count	0
6931	XLogP3	2.8
135409836	Hydrogen_Bond_Donor_Count	6
25262965	Undefined_Bond_Stereo_Count	0
82148	Defined_Bond_Stereo_Count	0
21336	Structure_Complexity	236
123114	Mono_Isotopic_Weight	70.041864811
439213	Covalent_Unit_Count	1
5311052	Non-hydrogen_Atom_Count	28
9570093	Undefined_Bond_Stereo_Count	0
760006	Total_Formal_Charge	0
10434	Molecular_Weight	112.13
259994	Defined_Atom_Stereo_Count	1
23672325	Defined_Atom_Stereo_Count	0
135763205	Exact_Mass	384.04160728
10832	Total_Formal_Charge	0
25202562	Hydrogen_Bond_Donor_Count	0
70034662	Total_Formal_Charge	0
44480399	Undefined_Bond_Stereo_Count	0
77232	Molecular_Weight	161.32
6419884	Covalent_Unit_Count	2
101375997	Defined_Atom_Stereo_Count	31
102004607	Molecular_Weight	1229.3
53908	Exact_Mass	308.0903253
83569	Covalent_Unit_Count	1
83970	Undefined_Atom_Stereo_Count	0
442882	Non-hydrogen_Atom_Count	27
518944	Undefined_Atom_Stereo_Count	0
2471	Hydrogen_Bond_Acceptor_Count	7
6010	Hydrogen_Bond_Donor_Count	1
17865	Structure_Complexity	214
9793723	Non-hydrogen_Atom_Count	8
14258	Non-hydrogen_Atom_Count	19
39860873	Defined_Atom_Stereo_Count	0
5817	Hydrogen_Bond_Donor_Count	1
214804	Undefined_Atom_Stereo_Count	2
179338	Defined_Atom_Stereo_Count	0
67832	Structure_Complexity	131
56962313	Undefined_Atom_Stereo_Count	0
53883934	Molecular_Weight	112.17
445904	Hydrogen_Bond_Acceptor_Count	5
64361	Structure_Complexity	460
10796	Tautomer_Count	1
6580	Rotatable_Bond_Count	1
89678335	Covalent_Unit_Count	1
6031	Undefined_Bond_Stereo_Count	0
14842942	Undefined_Atom_Stereo_Count	0
7465	XLogP3	2.9
80281	Rotatable_Bond_Count	17
42095	Hydrogen_Bond_Donor_Count	0
9853710	Structure_Complexity	1420
8259	Structure_Complexity	38.5
88314154	XLogP3-AA	0.4
61574	XLogP3-AA	5.6
10079877	Molecular_Weight	1111.3
461279	Mono_Isotopic_Weight	384.01236864
59058905	Hydrogen_Bond_Acceptor_Count	4
139081837	Molecular_Weight	367.4
11267045	Non-hydrogen_Atom_Count	23
62810	Covalent_Unit_Count	1
943	Rotatable_Bond_Count	0
9895264	Covalent_Unit_Count	1
429571	Total_Formal_Charge	0
59525132	XLogP3-AA	0.1
119098876	Exact_Mass	1120.19982200
80782	Mono_Isotopic_Weight	171.0450916
16136	TPSA	0
70687998	Rotatable_Bond_Count	4
20379467	Structure_Complexity	81.8
44431171	XLogP3-AA	2.6
7238	Defined_Atom_Stereo_Count	0
445580	Covalent_Unit_Count	1
11676981	Defined_Bond_Stereo_Count	0
5359353	Covalent_Unit_Count	1
160743752	Defined_Atom_Stereo_Count	0
3406	Hydrogen_Bond_Acceptor_Count	1
101567485	Rotatable_Bond_Count	2
21028424	Defined_Bond_Stereo_Count	0
9799	Exact_Mass	394.21555225
10820486	Total_Formal_Charge	0
8906	Total_Formal_Charge	0
67528035	Defined_Atom_Stereo_Count	0
2135	Undefined_Bond_Stereo_Count	0
91528	Tautomer_Count	10
73481	Structure_Complexity	963
3034655	Isotope_Atom_Count	0
77941	Molecular_Weight	340.5
37829	XLogP3-AA	2.4
88898	Defined_Bond_Stereo_Count	0
24214097	Non-hydrogen_Atom_Count	11
45344	Tautomer_Count	1
16224456	Exact_Mass	609.26612791
42208	Tautomer_Count	2
11149862	Structure_Complexity	332
13804280	Isotope_Atom_Count	0
13810	Non-hydrogen_Atom_Count	38
6199	Exact_Mass	186.031694049
12673316	Covalent_Unit_Count	1
15951509	XLogP3-AA	2.4
5037	Mono_Isotopic_Weight	245.152812238
91908	Defined_Bond_Stereo_Count	0
221523	Mono_Isotopic_Weight	84.057514874
9966051	XLogP3-AA	4.2
447466	Mono_Isotopic_Weight	70.041864811
5367805	Exact_Mass	100.063662883
2187	Molecular_Weight	293.4
15908	Mono_Isotopic_Weight	155.142247555
10920463	Defined_Bond_Stereo_Count	0
48104	Structure_Complexity	276
8222	Molecular_Weight	282.5
66112	Non-hydrogen_Atom_Count	6
71485	Defined_Atom_Stereo_Count	9
43184	Defined_Atom_Stereo_Count	0
51886	Mono_Isotopic_Weight	209.06880783
5283377	Exact_Mass	236.214015512
43295	Total_Formal_Charge	0
65589	Defined_Atom_Stereo_Count	0
14794988	Non-hydrogen_Atom_Count	8
14923690	Undefined_Bond_Stereo_Count	0
611887	Exact_Mass	229.110278721
11569158	Defined_Bond_Stereo_Count	0
1550470	TPSA	26.3
16760703	TPSA	40.1
164652	Hydrogen_Bond_Donor_Count	4
15739357	Isotope_Atom_Count	0
91750	Hydrogen_Bond_Donor_Count	2
25403	Defined_Atom_Stereo_Count	0
2723733	Defined_Bond_Stereo_Count	0
9802542	Exact_Mass	426.19197371
53694476	Defined_Bond_Stereo_Count	0
9867605	Molecular_Weight	435.2
57656833	Isotope_Atom_Count	0
53394037	Undefined_Bond_Stereo_Count	1
5884629	Rotatable_Bond_Count	13
3082518	Defined_Atom_Stereo_Count	4
132277953	Non-hydrogen_Atom_Count	20
112	Hydrogen_Bond_Donor_Count	3
36688207	TPSA	40.1
2782351	Undefined_Bond_Stereo_Count	0
59015	Defined_Bond_Stereo_Count	0
67258371	Defined_Atom_Stereo_Count	0
20165534	Hydrogen_Bond_Donor_Count	0
57340472	Defined_Atom_Stereo_Count	0
18954572	Isotope_Atom_Count	0
20521791	Rotatable_Bond_Count	1
314787	Structure_Complexity	270
6425135	Undefined_Atom_Stereo_Count	0
135410917	Molecular_Weight	274.75
66536	Hydrogen_Bond_Donor_Count	1
7201	Defined_Bond_Stereo_Count	0
18805	Undefined_Bond_Stereo_Count	0
97994	Non-hydrogen_Atom_Count	13
135463451	Undefined_Atom_Stereo_Count	0
138199	Mono_Isotopic_Weight	86.036779430
10486805	Mono_Isotopic_Weight	100.063662883
135513267	Undefined_Bond_Stereo_Count	0
7392	TPSA	17.1
40153	XLogP3-AA	2.8
12068306	Isotope_Atom_Count	0
5311264	Hydrogen_Bond_Donor_Count	1
23077956	Structure_Complexity	142
19438038	Defined_Bond_Stereo_Count	0
11084586	Rotatable_Bond_Count	6
3084049	Covalent_Unit_Count	2
86623588	Covalent_Unit_Count	2
67300	Hydrogen_Bond_Donor_Count	0
6793	Undefined_Bond_Stereo_Count	0
32798	Rotatable_Bond_Count	5
13684986	Molecular_Weight	99.13
232532	TPSA	17.1
59874134	Isotope_Atom_Count	0
67628	Rotatable_Bond_Count	6
89708952	Exact_Mass	113.047678466
5354043	Total_Formal_Charge	0
135565610	Mono_Isotopic_Weight	458.15901982
4205687	Non-hydrogen_Atom_Count	8
131673820	Isotope_Atom_Count	0
57404185	Hydrogen_Bond_Donor_Count	1
9983746	Defined_Atom_Stereo_Count	0
135887832	Hydrogen_Bond_Acceptor_Count	14
59904077	Exact_Mass	342.11621151
18032	TPSA	74.9
6473	Defined_Bond_Stereo_Count	0
86278404	Mono_Isotopic_Weight	180.06338810
10090285	Undefined_Atom_Stereo_Count	0
71462510	Non-hydrogen_Atom_Count	28
10297	Defined_Bond_Stereo_Count	0
5463911	TPSA	38.7
6730	Exact_Mass	280.0057849
1725	TPSA	75.9
66673773	Non-hydrogen_Atom_Count	8
149697	Covalent_Unit_Count	1
146159626	Rotatable_Bond_Count	5
13389	Mono_Isotopic_Weight	107.037113783
12201383	Defined_Atom_Stereo_Count	0
10556	Tautomer_Count	1
154701841	Rotatable_Bond_Count	5
7537	Undefined_Bond_Stereo_Count	0
76048	Covalent_Unit_Count	1
138199	Structure_Complexity	67.9
972	Undefined_Bond_Stereo_Count	0
31191	Molecular_Weight	129.16
6766	Defined_Bond_Stereo_Count	0
516356	Total_Formal_Charge	0
13214429	TPSA	50.6
3985	Undefined_Bond_Stereo_Count	0
33613	Covalent_Unit_Count	1
58691	Covalent_Unit_Count	2
20711973	Covalent_Unit_Count	1
15983287	Defined_Bond_Stereo_Count	0
10877967	Rotatable_Bond_Count	2
97597	Molecular_Weight	363.4
89240655	Hydrogen_Bond_Acceptor_Count	2
36383	Defined_Bond_Stereo_Count	0
59557415	Undefined_Atom_Stereo_Count	0
9230	Molecular_Weight	117.15
14221	Defined_Bond_Stereo_Count	0
136586	Defined_Bond_Stereo_Count	0
4783	Rotatable_Bond_Count	10
2238	Covalent_Unit_Count	1
663	Structure_Complexity	130
3661	Hydrogen_Bond_Acceptor_Count	4
4313	TPSA	153
12820337	Defined_Atom_Stereo_Count	0
87990	Isotope_Atom_Count	0
439378	Undefined_Bond_Stereo_Count	0
72959169	Rotatable_Bond_Count	9
146158974	Undefined_Atom_Stereo_Count	8
60196356	Hydrogen_Bond_Acceptor_Count	8
450503	Rotatable_Bond_Count	1
439318	Exact_Mass	483.25404239
5280804	Hydrogen_Bond_Donor_Count	8
45263503	TPSA	64.6
18522786	Rotatable_Bond_Count	1
5475462	Hydrogen_Bond_Acceptor_Count	1
13810419	Non-hydrogen_Atom_Count	8
4407718	Structure_Complexity	1790
555192	Hydrogen_Bond_Donor_Count	2
639288	Structure_Complexity	528
69317	Mono_Isotopic_Weight	246.05369279
2529	Total_Formal_Charge	0
68714	Isotope_Atom_Count	0
67443	Defined_Atom_Stereo_Count	0
87081618	Defined_Bond_Stereo_Count	0
8264	Exact_Mass	154.06712817
8881	Hydrogen_Bond_Acceptor_Count	0
9832912	Covalent_Unit_Count	1
44310763	XLogP3-AA	3.8
139759	Defined_Bond_Stereo_Count	0
23165199	Undefined_Bond_Stereo_Count	0
130165	Hydrogen_Bond_Donor_Count	1
68103	XLogP3-AA	1.9
180335	Rotatable_Bond_Count	6
43961	Isotope_Atom_Count	0
134692189	Hydrogen_Bond_Donor_Count	3
146156882	Hydrogen_Bond_Acceptor_Count	26
9969613	Defined_Atom_Stereo_Count	0
69318	Tautomer_Count	1
19159	Non-hydrogen_Atom_Count	21
96780	Structure_Complexity	203
77011628	Molecular_Weight	101.10
12820526	Hydrogen_Bond_Acceptor_Count	1
3486	Structure_Complexity	569
6438149	Rotatable_Bond_Count	12
24723	Isotope_Atom_Count	0
5421897	Rotatable_Bond_Count	3
68663	Defined_Atom_Stereo_Count	0
9297	Defined_Atom_Stereo_Count	0
139043493	Defined_Atom_Stereo_Count	0
66663660	Undefined_Atom_Stereo_Count	0
441979	TPSA	53.4
25271781	Molecular_Weight	326.5
19045124	Undefined_Bond_Stereo_Count	0
2723721	Rotatable_Bond_Count	0
408536	TPSA	23.5
638034	Structure_Complexity	596
15256327	Exact_Mass	115.063328530
6040	Mono_Isotopic_Weight	233.141578849
2120	Hydrogen_Bond_Donor_Count	1
91429	Rotatable_Bond_Count	4
117957447	Mono_Isotopic_Weight	102.079312947
1084	Exact_Mass	111.92888620
443067	Tautomer_Count	4
1629	Molecular_Weight	217.12
565391	Hydrogen_Bond_Donor_Count	0
11281011	Rotatable_Bond_Count	11
16662	XLogP3-AA	4.5
519103	Non-hydrogen_Atom_Count	18
69676	Rotatable_Bond_Count	1
12317347	Defined_Atom_Stereo_Count	0
91223	Isotope_Atom_Count	0
6440180	Tautomer_Count	1
60919	Isotope_Atom_Count	0
5280353	Covalent_Unit_Count	1
12038941	Undefined_Atom_Stereo_Count	0
6604378	Hydrogen_Bond_Acceptor_Count	2
6918388	Isotope_Atom_Count	0
123626	Defined_Atom_Stereo_Count	0
100698	Molecular_Weight	93.08
10158453	Exact_Mass	409.0914706
7292	Exact_Mass	87.068413911
11446301	XLogP3-AA	0
59087	Structure_Complexity	455
11386	Covalent_Unit_Count	1
31057	Defined_Atom_Stereo_Count	0
102601697	Undefined_Bond_Stereo_Count	0
16058752	Hydrogen_Bond_Acceptor_Count	9
12056760	Molecular_Weight	418.28
179337	Mono_Isotopic_Weight	475.18172958
20486	Mono_Isotopic_Weight	421.9782500
8254	Rotatable_Bond_Count	0
3710788	Covalent_Unit_Count	1
11817188	Exact_Mass	234.198365449
25159190	Undefined_Atom_Stereo_Count	0
153577917	Non-hydrogen_Atom_Count	8
65822	Defined_Atom_Stereo_Count	0
1765	Defined_Bond_Stereo_Count	0
3047787	Undefined_Bond_Stereo_Count	0
75908	Undefined_Atom_Stereo_Count	0
610169	Mono_Isotopic_Weight	204.92939
78739	Hydrogen_Bond_Donor_Count	0
10069991	Mono_Isotopic_Weight	407.0746777
5280490	Non-hydrogen_Atom_Count	21
16536	Structure_Complexity	179
11705141	Defined_Bond_Stereo_Count	0
21906940	Structure_Complexity	510
398633	XLogP3-AA	4.2
16996	Mono_Isotopic_Weight	179.996103
612684	Undefined_Atom_Stereo_Count	0
87821824	Exact_Mass	118.062994177
1420	Rotatable_Bond_Count	12
155893809	Covalent_Unit_Count	1
56841794	TPSA	3160
84041	TPSA	41.6
5479141	Total_Formal_Charge	0
148708	Exact_Mass	258.98441
58505	TPSA	86.9
3962	Hydrogen_Bond_Donor_Count	1
642	Structure_Complexity	1100
85764696	Molecular_Weight	114.14
6327132	Hydrogen_Bond_Donor_Count	0
192711	XLogP3-AA	4.2
66793	Covalent_Unit_Count	1
5284542	XLogP3-AA	1.1
8194	Total_Formal_Charge	0
129009962	Structure_Complexity	3480
8638	Undefined_Bond_Stereo_Count	0
19425	Total_Formal_Charge	0
129872	Undefined_Bond_Stereo_Count	0
79346	XLogP3-AA	0.5
10057444	Exact_Mass	86.036779430
84986	Structure_Complexity	219
193270	Rotatable_Bond_Count	4
8048	Hydrogen_Bond_Donor_Count	0
359379	Undefined_Atom_Stereo_Count	0
6917733	Rotatable_Bond_Count	14
85843728	Hydrogen_Bond_Acceptor_Count	2
65420	Isotope_Atom_Count	0
542158	Non-hydrogen_Atom_Count	34
54269666	Non-hydrogen_Atom_Count	6
9884439	Total_Formal_Charge	0
46780441	Hydrogen_Bond_Acceptor_Count	6
54245381	Exact_Mass	118.099379685
61631	Hydrogen_Bond_Acceptor_Count	2
441975	Molecular_Weight	352.4
65663	TPSA	97
40549	Undefined_Atom_Stereo_Count	0
98181817	Covalent_Unit_Count	1
6477186	Defined_Atom_Stereo_Count	1
97735	Mono_Isotopic_Weight	143.094628657
82313	Tautomer_Count	2
115071571	Structure_Complexity	94.7
2775641	Non-hydrogen_Atom_Count	8
71624344	Defined_Atom_Stereo_Count	0
23279022	Hydrogen_Bond_Donor_Count	2
186114	Tautomer_Count	2
642376	XLogP3-AA	3.2
80009	Non-hydrogen_Atom_Count	7
70070	Exact_Mass	411.92994806
27212	TPSA	46.5
28486	Mono_Isotopic_Weight	7.01600343
129711656	Non-hydrogen_Atom_Count	14
9414	Defined_Atom_Stereo_Count	0
83818	Mono_Isotopic_Weight	417.1584211
83938	Total_Formal_Charge	0
24853	Covalent_Unit_Count	4
10662	Covalent_Unit_Count	1
5280497	XLogP3-AA	3.4
11073219	XLogP3-AA	26.4
119373	Total_Formal_Charge	0
23690430	Exact_Mass	190.01028425
169573	Rotatable_Bond_Count	3
2766	Hydrogen_Bond_Donor_Count	2
6356	Total_Formal_Charge	0
6871	Molecular_Weight	216.23
22477643	Non-hydrogen_Atom_Count	8
71533242	Undefined_Atom_Stereo_Count	1
15496999	Non-hydrogen_Atom_Count	7
11385	Mono_Isotopic_Weight	194.084398327
6019	Isotope_Atom_Count	0
118705497	Molecular_Weight	746.9
91826463	XLogP3	2.5
76958691	Structure_Complexity	515
4510	Non-hydrogen_Atom_Count	15
151090	TPSA	43.8
16129616	Hydrogen_Bond_Acceptor_Count	55
54493752	Molecular_Weight	93.13
165295	Total_Formal_Charge	0
14698	Hydrogen_Bond_Donor_Count	2
7464	Total_Formal_Charge	0
11815296	Undefined_Atom_Stereo_Count	0
5311104	Rotatable_Bond_Count	3
740525	Isotope_Atom_Count	0
11617559	Undefined_Atom_Stereo_Count	0
130770920	Defined_Atom_Stereo_Count	0
17162	XLogP3-AA	2.9
26964	TPSA	148
54688693	Undefined_Bond_Stereo_Count	0
9325	Undefined_Bond_Stereo_Count	0
23703979	Defined_Atom_Stereo_Count	0
71311389	Mono_Isotopic_Weight	257.925853
53470	TPSA	40.5
442636	Undefined_Atom_Stereo_Count	0
105000	Isotope_Atom_Count	0
10171348	Defined_Atom_Stereo_Count	0
60574	Isotope_Atom_Count	0
809629	Defined_Bond_Stereo_Count	0
2778574	Total_Formal_Charge	0
139488	Mono_Isotopic_Weight	96.057514874
22138130	Total_Formal_Charge	0
45266912	Non-hydrogen_Atom_Count	39
96389	Total_Formal_Charge	0
71571522	Total_Formal_Charge	0
565684	Non-hydrogen_Atom_Count	14
21872023	Hydrogen_Bond_Donor_Count	6
117774578	Hydrogen_Bond_Acceptor_Count	2
6315	Hydrogen_Bond_Donor_Count	2
13352438	Hydrogen_Bond_Acceptor_Count	2
10484815	Mono_Isotopic_Weight	694.31870834
91175918	Hydrogen_Bond_Acceptor_Count	0
67569543	Undefined_Atom_Stereo_Count	0
138539	Rotatable_Bond_Count	1
22181555	Non-hydrogen_Atom_Count	7
681950	Structure_Complexity	285
84072504	Covalent_Unit_Count	1
158781	Isotope_Atom_Count	0
7491	Undefined_Atom_Stereo_Count	0
54680660	Mono_Isotopic_Weight	414.26175355
443408	XLogP3	3.6
20062980	Mono_Isotopic_Weight	117.01385337
23676704	Isotope_Atom_Count	0
93032	Isotope_Atom_Count	0
10236	Exact_Mass	178.02660867
129627802	Molecular_Weight	843.1
380	Covalent_Unit_Count	1
21932698	Exact_Mass	186.161979940
97656	Non-hydrogen_Atom_Count	30
154825561	TPSA	206
49646	Tautomer_Count	1
15284	Undefined_Bond_Stereo_Count	0
693507	Hydrogen_Bond_Acceptor_Count	4
86302	XLogP3-AA	0.5
5284476	Molecular_Weight	197.24
529267	Defined_Bond_Stereo_Count	0
53940807	Hydrogen_Bond_Acceptor_Count	0
153	Defined_Atom_Stereo_Count	0
4978	Total_Formal_Charge	0
36457	Defined_Bond_Stereo_Count	0
10811	Rotatable_Bond_Count	4
6918678	Undefined_Bond_Stereo_Count	0
3758	Hydrogen_Bond_Donor_Count	1
31472	Tautomer_Count	1
24776149	Undefined_Atom_Stereo_Count	0
162918375	Defined_Bond_Stereo_Count	1
145454105	Hydrogen_Bond_Acceptor_Count	8
6405	Molecular_Weight	88.15
4596	Defined_Bond_Stereo_Count	0
34696	Non-hydrogen_Atom_Count	8
40468194	Undefined_Bond_Stereo_Count	0
2795565	Molecular_Weight	224.05
86277	Defined_Bond_Stereo_Count	0
10866282	Defined_Bond_Stereo_Count	0
103451287	Mono_Isotopic_Weight	118.062994177
543	Total_Formal_Charge	0
98136	Rotatable_Bond_Count	2
85822	Mono_Isotopic_Weight	161.05104977
91850189	Undefined_Bond_Stereo_Count	0
62329	Non-hydrogen_Atom_Count	21
28803	Defined_Atom_Stereo_Count	0
92406	Hydrogen_Bond_Acceptor_Count	3
1047	Rotatable_Bond_Count	1
23103	Molecular_Weight	191.23
13265779	Non-hydrogen_Atom_Count	7
11477442	Tautomer_Count	1
62706	Hydrogen_Bond_Donor_Count	0
698716	Undefined_Bond_Stereo_Count	0
556998	Undefined_Bond_Stereo_Count	0
22149470	Molecular_Weight	100.16
10328	Defined_Bond_Stereo_Count	0
5459319	Defined_Atom_Stereo_Count	3
49778730	Defined_Bond_Stereo_Count	0
91742	Isotope_Atom_Count	0
13556	Structure_Complexity	56.6
2737121	Defined_Atom_Stereo_Count	0
60196412	Exact_Mass	587.28183511
71834	Mono_Isotopic_Weight	360.0061961
19665	Rotatable_Bond_Count	7
62432	Molecular_Weight	233.27
13031981	Undefined_Atom_Stereo_Count	1
8284	Defined_Bond_Stereo_Count	0
24900751	Undefined_Atom_Stereo_Count	0
18506394	Undefined_Atom_Stereo_Count	3
193581	Isotope_Atom_Count	0
38012	Undefined_Atom_Stereo_Count	0
80519	Rotatable_Bond_Count	1
86790	Defined_Atom_Stereo_Count	0
4662	Hydrogen_Bond_Donor_Count	7
44119936	Isotope_Atom_Count	0
4619	Rotatable_Bond_Count	13
125564	Mono_Isotopic_Weight	367.24237613
97665	Hydrogen_Bond_Donor_Count	2
3081304	Structure_Complexity	558
68229136	Rotatable_Bond_Count	4
13734170	Defined_Bond_Stereo_Count	0
15981292	Hydrogen_Bond_Donor_Count	2
3032854	Undefined_Atom_Stereo_Count	1
72200670	Isotope_Atom_Count	0
4722579	Undefined_Atom_Stereo_Count	0
69288	Defined_Atom_Stereo_Count	0
13548212	XLogP3-AA	0.6
52942212	Total_Formal_Charge	0
53464	Undefined_Bond_Stereo_Count	0
153085381	Covalent_Unit_Count	1
44228720	Undefined_Bond_Stereo_Count	0
3955344	Hydrogen_Bond_Donor_Count	2
14025	Mono_Isotopic_Weight	280.13421502
59164	Isotope_Atom_Count	0
12511	Defined_Atom_Stereo_Count	0
13493719	Structure_Complexity	45.3
6113	Isotope_Atom_Count	0
14109	Covalent_Unit_Count	1
141508	Undefined_Bond_Stereo_Count	0
69019	Isotope_Atom_Count	0
3646	Undefined_Atom_Stereo_Count	0
11291932	Defined_Atom_Stereo_Count	0
53298027	Undefined_Bond_Stereo_Count	0
2764876	TPSA	63.4
12901	Hydrogen_Bond_Acceptor_Count	6
11511	Hydrogen_Bond_Donor_Count	0
973122	Hydrogen_Bond_Donor_Count	2
98813	Non-hydrogen_Atom_Count	35
56683653	Exact_Mass	546.2258500
70040	Covalent_Unit_Count	1
88391334	XLogP3-AA	1
9707	Defined_Bond_Stereo_Count	0
73981	Defined_Atom_Stereo_Count	0
4192	Defined_Bond_Stereo_Count	0
41376	Tautomer_Count	12
233979	Total_Formal_Charge	0
69610	Non-hydrogen_Atom_Count	5
21889252	Undefined_Atom_Stereo_Count	0
564184	TPSA	47.6
11389368	Hydrogen_Bond_Acceptor_Count	2
85689	Undefined_Bond_Stereo_Count	0
13878880	Covalent_Unit_Count	1
5702220	Exact_Mass	411.97395
23687713	Covalent_Unit_Count	4
72332	Hydrogen_Bond_Donor_Count	2
44264589	Rotatable_Bond_Count	0
48955	Hydrogen_Bond_Donor_Count	0
5283853	Structure_Complexity	637
53880	Covalent_Unit_Count	1
787717	TPSA	79.4
54584753	Isotope_Atom_Count	0
588860	Rotatable_Bond_Count	2
864969	Rotatable_Bond_Count	1
41508	Undefined_Bond_Stereo_Count	0
21157625	Isotope_Atom_Count	0
23283001	Exact_Mass	108.093900383
535188	Covalent_Unit_Count	1
529076	Undefined_Atom_Stereo_Count	0
830140	Rotatable_Bond_Count	3
236115	Defined_Bond_Stereo_Count	0
24860548	Total_Formal_Charge	0
73353578	Mono_Isotopic_Weight	410.0945816
222199	Covalent_Unit_Count	1
40469136	Isotope_Atom_Count	0
129744573	Undefined_Bond_Stereo_Count	0
672	Exact_Mass	326.12263431
10704662	Covalent_Unit_Count	1
4479	Undefined_Atom_Stereo_Count	9
6373	XLogP3-AA	1.5
8550	Exact_Mass	578.26281617
21836527	Molecular_Weight	111.10
9939927	Mono_Isotopic_Weight	700.32788900
6223	Mono_Isotopic_Weight	326.03949928
270299	Mono_Isotopic_Weight	116.083729621
26747	TPSA	40.5
60196418	XLogP3-AA	2.9
177085	Covalent_Unit_Count	1
550525	Undefined_Bond_Stereo_Count	0
20055414	Defined_Atom_Stereo_Count	2
7681	Defined_Bond_Stereo_Count	0
166450050	Covalent_Unit_Count	1
226147	Covalent_Unit_Count	1
76967371	TPSA	58.2
574450	Covalent_Unit_Count	1
4194	Hydrogen_Bond_Donor_Count	1
15	Mono_Isotopic_Weight	290.224580195
10311306	Hydrogen_Bond_Acceptor_Count	9
49838879	Undefined_Bond_Stereo_Count	0
47	Defined_Atom_Stereo_Count	0
72253	Mono_Isotopic_Weight	303.07325556
74888	Covalent_Unit_Count	1
5378708	Total_Formal_Charge	0
20624744	Hydrogen_Bond_Donor_Count	2
117807974	Defined_Atom_Stereo_Count	0
5264	Exact_Mass	465.34573470
6411	Tautomer_Count	1
84647715	Mono_Isotopic_Weight	115.063328530
5496540	Molecular_Weight	1425.5
13379149	Tautomer_Count	1
25142309	XLogP3-AA	2.5
10206844	Covalent_Unit_Count	1
87072684	XLogP3-AA	0.8
6241	Hydrogen_Bond_Donor_Count	4
179668	TPSA	49.3
181674	Covalent_Unit_Count	1
443868	Molecular_Weight	528.0
56963	Tautomer_Count	1
53183	Rotatable_Bond_Count	6
54686188	Molecular_Weight	805.9
79828	Undefined_Atom_Stereo_Count	0
10997868	Defined_Bond_Stereo_Count	0
83735	Hydrogen_Bond_Donor_Count	2
165857173	Undefined_Atom_Stereo_Count	1
26068	Molecular_Weight	156.26
702695	Hydrogen_Bond_Acceptor_Count	5
11732	Undefined_Atom_Stereo_Count	1
15604	Molecular_Weight	180.24
206044	TPSA	111
34319	Defined_Atom_Stereo_Count	0
87219146	Mono_Isotopic_Weight	115.063328530
11768526	Defined_Atom_Stereo_Count	0
135417349	Hydrogen_Bond_Acceptor_Count	4
24154	Defined_Bond_Stereo_Count	0
14751894	Mono_Isotopic_Weight	100.063662883
59883	Hydrogen_Bond_Donor_Count	1
54687668	Undefined_Bond_Stereo_Count	0
6433586	Hydrogen_Bond_Donor_Count	6
10399	Molecular_Weight	114.19
71583159	Molecular_Weight	466.6
54502555	Molecular_Weight	100.16
74080	TPSA	47.6
7649	TPSA	26.3
85470810	Exact_Mass	528.10564683
12681	XLogP3	0.7
156617950	Undefined_Atom_Stereo_Count	0
80037	Total_Formal_Charge	0
12114682	Defined_Atom_Stereo_Count	2
25353	Defined_Bond_Stereo_Count	0
4816	Defined_Bond_Stereo_Count	0
11182588	Undefined_Atom_Stereo_Count	1
10772948	Hydrogen_Bond_Donor_Count	0
10466948	Total_Formal_Charge	0
10457598	Non-hydrogen_Atom_Count	32
152807	Rotatable_Bond_Count	0
279819	Hydrogen_Bond_Donor_Count	5
3424	Defined_Atom_Stereo_Count	0
10574415	Isotope_Atom_Count	0
14078850	Non-hydrogen_Atom_Count	64
57328385	Defined_Bond_Stereo_Count	0
32698	Non-hydrogen_Atom_Count	21
12242919	Structure_Complexity	0
9708	Undefined_Atom_Stereo_Count	0
448025	Covalent_Unit_Count	1
147684232	Rotatable_Bond_Count	1
344888	Hydrogen_Bond_Acceptor_Count	2
57239380	Covalent_Unit_Count	1
50990393	TPSA	320
53846427	Covalent_Unit_Count	1
11179267	Hydrogen_Bond_Acceptor_Count	4
134664	Non-hydrogen_Atom_Count	11
71587831	Undefined_Bond_Stereo_Count	0
112412	Total_Formal_Charge	0
137017	Isotope_Atom_Count	0
117781134	Defined_Bond_Stereo_Count	0
3531736	TPSA	69.9
2017	Structure_Complexity	312
18635	Hydrogen_Bond_Donor_Count	0
5284382	Tautomer_Count	1
447405	Hydrogen_Bond_Acceptor_Count	8
3045375	Structure_Complexity	816
5323604	Rotatable_Bond_Count	2
59259660	Rotatable_Bond_Count	3
5484	Mono_Isotopic_Weight	275.08024189
5320128	Covalent_Unit_Count	1
95659	Exact_Mass	198.104465066
10430450	Structure_Complexity	566
5281037	Isotope_Atom_Count	0
5472	Hydrogen_Bond_Acceptor_Count	2
135410875	Non-hydrogen_Atom_Count	31
13389335	Non-hydrogen_Atom_Count	16
6433091	TPSA	23.5
123861	Defined_Bond_Stereo_Count	0
68647	Hydrogen_Bond_Acceptor_Count	2
66727	Mono_Isotopic_Weight	177.078978594
111	Exact_Mass	132.05349212
78961	Hydrogen_Bond_Acceptor_Count	0
6901	Defined_Atom_Stereo_Count	0
138440	Molecular_Weight	100.12
12116	Hydrogen_Bond_Acceptor_Count	2
19098324	Defined_Atom_Stereo_Count	0
7778	Structure_Complexity	158
10379137	Rotatable_Bond_Count	5
800463	Undefined_Atom_Stereo_Count	0
60452	Undefined_Atom_Stereo_Count	0
13413379	XLogP3-AA	0.3
143047391	Undefined_Bond_Stereo_Count	0
61534	TPSA	2
67811115	Defined_Atom_Stereo_Count	0
5311201	Molecular_Weight	398.5
74764517	Structure_Complexity	537
21680724	Defined_Atom_Stereo_Count	2
66249	Non-hydrogen_Atom_Count	39
77918	Defined_Bond_Stereo_Count	0
104866516	Hydrogen_Bond_Acceptor_Count	2
439744	Mono_Isotopic_Weight	306.97054
432760	TPSA	125
3048356	Mono_Isotopic_Weight	321.209264485
72884	TPSA	58.2
4363644	Isotope_Atom_Count	0
10270986	Defined_Bond_Stereo_Count	1
12962854	Hydrogen_Bond_Donor_Count	0
70789202	Undefined_Bond_Stereo_Count	0
31280	Rotatable_Bond_Count	16
444913	Total_Formal_Charge	0
8566	Tautomer_Count	6
163429552	Defined_Bond_Stereo_Count	0
71124	Isotope_Atom_Count	0
14402033	Rotatable_Bond_Count	1
87604555	TPSA	61.1
58599	Tautomer_Count	2
11455910	Defined_Atom_Stereo_Count	0
636750	Hydrogen_Bond_Acceptor_Count	3
36245	XLogP3-AA	2
23603	Hydrogen_Bond_Donor_Count	1
21564107	Non-hydrogen_Atom_Count	8
69440016	Total_Formal_Charge	0
20477345	Molecular_Weight	192.18
13238893	Defined_Atom_Stereo_Count	0
7422	Defined_Bond_Stereo_Count	0
2318095	Hydrogen_Bond_Acceptor_Count	3
90961655	Non-hydrogen_Atom_Count	7
21180574	Exact_Mass	108.043596145
139585852	Hydrogen_Bond_Donor_Count	0
18206	TPSA	12.5
33251	Hydrogen_Bond_Donor_Count	0
5312108	Mono_Isotopic_Weight	821.075439
53967	Covalent_Unit_Count	1
12275055	Undefined_Bond_Stereo_Count	0
44427236	Non-hydrogen_Atom_Count	29
10680	Molecular_Weight	222.24
123942782	Defined_Atom_Stereo_Count	0
556998	Defined_Atom_Stereo_Count	0
47328	Total_Formal_Charge	0
72492	Rotatable_Bond_Count	6
72253	Defined_Bond_Stereo_Count	0
67516	Tautomer_Count	2
15211200	Isotope_Atom_Count	0
5311312	TPSA	485
47896	Exact_Mass	597.0568692
56841020	Rotatable_Bond_Count	4
59871564	TPSA	56
316542	Molecular_Weight	103.12
9923	XLogP3-AA	1.5
3416433	Hydrogen_Bond_Acceptor_Count	2
56890	Rotatable_Bond_Count	4
52949760	Exact_Mass	369.18748367
44395178	Mono_Isotopic_Weight	477.1567673
37020	Total_Formal_Charge	0
23693092	Hydrogen_Bond_Acceptor_Count	6
9076	Undefined_Bond_Stereo_Count	0
60165656	XLogP3-AA	3
18719616	Undefined_Bond_Stereo_Count	0
9457	Isotope_Atom_Count	0
49865973	XLogP3-AA	2.7
628281	Mono_Isotopic_Weight	310.110613074
21058	Mono_Isotopic_Weight	309.993027
82418959	Mono_Isotopic_Weight	115.038176411
59	Isotope_Atom_Count	0
6603856	Undefined_Atom_Stereo_Count	0
78249	Hydrogen_Bond_Donor_Count	0
5479787	Molecular_Weight	557.5
5329098	Hydrogen_Bond_Donor_Count	2
6957673	XLogP3-AA	3.3
19016756	Undefined_Atom_Stereo_Count	0
14444485	Hydrogen_Bond_Acceptor_Count	7
24780352	Hydrogen_Bond_Donor_Count	2
36457	Total_Formal_Charge	0
783	Defined_Bond_Stereo_Count	0
58265153	Covalent_Unit_Count	1
12936897	Undefined_Atom_Stereo_Count	1
21067	Covalent_Unit_Count	1
439587	Molecular_Weight	309.36
9821217	Covalent_Unit_Count	1
11815296	Isotope_Atom_Count	0
12066842	Non-hydrogen_Atom_Count	7
11531799	Hydrogen_Bond_Donor_Count	2
6273	Defined_Bond_Stereo_Count	0
25130088	Mono_Isotopic_Weight	462.27432435
57089031	Covalent_Unit_Count	1
59310309	Undefined_Atom_Stereo_Count	0
10989	Mono_Isotopic_Weight	158.167065321
12408077	Covalent_Unit_Count	1
5230877	Undefined_Bond_Stereo_Count	0
1578	Non-hydrogen_Atom_Count	16
54677674	Rotatable_Bond_Count	6
10334	Isotope_Atom_Count	0
76883	XLogP3-AA	3
60196350	Rotatable_Bond_Count	2
54309225	Non-hydrogen_Atom_Count	7
52943334	XLogP3-AA	4.1
15853200	Rotatable_Bond_Count	2
28166	Hydrogen_Bond_Donor_Count	0
18406174	Hydrogen_Bond_Acceptor_Count	2
22561495	TPSA	74.8
104625	Structure_Complexity	223
11504295	Undefined_Bond_Stereo_Count	0
62655	Hydrogen_Bond_Acceptor_Count	8
30781	Undefined_Atom_Stereo_Count	1
80416	Covalent_Unit_Count	2
16129759	Undefined_Atom_Stereo_Count	20
134735	TPSA	9.2
10297008	Hydrogen_Bond_Acceptor_Count	9
18029	Covalent_Unit_Count	1
7029	Covalent_Unit_Count	1
5359371	Exact_Mass	283.193614421
8949	Exact_Mass	213.9963942
154790040	Covalent_Unit_Count	1
5320	Hydrogen_Bond_Donor_Count	2
11268547	Hydrogen_Bond_Donor_Count	2
91700388	Defined_Bond_Stereo_Count	0
88063521	Non-hydrogen_Atom_Count	8
68110	Structure_Complexity	165
80875	Non-hydrogen_Atom_Count	36
3084667	Non-hydrogen_Atom_Count	22
60982	Structure_Complexity	166
12231139	XLogP3-AA	1.2
10219408	Defined_Atom_Stereo_Count	0
139121	Defined_Atom_Stereo_Count	0
615	Mono_Isotopic_Weight	230.01915430
7000	XLogP3	1.2
25418	Exact_Mass	88.063662883
21718270	Mono_Isotopic_Weight	116.058577502
676454	Non-hydrogen_Atom_Count	10
5288018	TPSA	135
71500036	Structure_Complexity	395
6965	Hydrogen_Bond_Acceptor_Count	1
3777	Covalent_Unit_Count	1
2724103	Structure_Complexity	112
5281794	Defined_Atom_Stereo_Count	0
91444	Non-hydrogen_Atom_Count	11
96402	Molecular_Weight	279.2
2817	Covalent_Unit_Count	1
4356	Defined_Bond_Stereo_Count	0
71456042	Non-hydrogen_Atom_Count	34
18376592	Hydrogen_Bond_Donor_Count	2
37968	Defined_Atom_Stereo_Count	2
57091294	Hydrogen_Bond_Donor_Count	1
11819049	Mono_Isotopic_Weight	100.088815002
5323984	XLogP3-AA	1.1
24776149	Isotope_Atom_Count	0
4578030	Mono_Isotopic_Weight	300.13615911
89268685	XLogP3-AA	0.3
8123	XLogP3-AA	8
57236595	TPSA	46.5
9964188	Undefined_Atom_Stereo_Count	2
4570	Hydrogen_Bond_Acceptor_Count	12
12536733	Total_Formal_Charge	0
10953595	Defined_Bond_Stereo_Count	0
45085092	Isotope_Atom_Count	0
37616	Structure_Complexity	320
11294	Defined_Bond_Stereo_Count	0
242436	Exact_Mass	357.15762283
17118	Covalent_Unit_Count	2
21715587	Defined_Atom_Stereo_Count	0
89504167	Structure_Complexity	284
9940999	Molecular_Weight	419.2
11625425	Isotope_Atom_Count	0
7419	Tautomer_Count	3
13133780	Undefined_Atom_Stereo_Count	1
606430	Hydrogen_Bond_Donor_Count	0
115237	Defined_Atom_Stereo_Count	0
141140026	Defined_Bond_Stereo_Count	0
76223700	Hydrogen_Bond_Donor_Count	1
19324	Rotatable_Bond_Count	3
81458	TPSA	0
79003661	Defined_Bond_Stereo_Count	0
45358001	Defined_Bond_Stereo_Count	0
900	Non-hydrogen_Atom_Count	19
67614074	TPSA	44.2
9015	Mono_Isotopic_Weight	124.052429494
95043	Total_Formal_Charge	0
123676075	Isotope_Atom_Count	0
4996851	Hydrogen_Bond_Donor_Count	2
333850	Non-hydrogen_Atom_Count	16
12560816	Undefined_Atom_Stereo_Count	0
101584	Defined_Bond_Stereo_Count	0
58265178	Isotope_Atom_Count	0
14286857	Mono_Isotopic_Weight	218.167065321
3047810	XLogP3-AA	2.5
9865808	Defined_Bond_Stereo_Count	0
89389546	Covalent_Unit_Count	1
14889074	Undefined_Bond_Stereo_Count	0
91408078	Mono_Isotopic_Weight	116.047344113
9403	Non-hydrogen_Atom_Count	29
6418719	Isotope_Atom_Count	0
15771	Tautomer_Count	1
36054	Undefined_Atom_Stereo_Count	1
56665390	Defined_Bond_Stereo_Count	0
439262	Structure_Complexity	641
2599	Undefined_Atom_Stereo_Count	0
24765256	Tautomer_Count	4
6514	Tautomer_Count	1
6442842	Non-hydrogen_Atom_Count	29
9909392	Hydrogen_Bond_Donor_Count	2
596	Exact_Mass	243.08552052
17174	Defined_Bond_Stereo_Count	0
752609	Total_Formal_Charge	0
65780	Defined_Atom_Stereo_Count	0
905	Non-hydrogen_Atom_Count	12
104755	Covalent_Unit_Count	1
70680970	Defined_Atom_Stereo_Count	0
520902	Non-hydrogen_Atom_Count	12
32881	Covalent_Unit_Count	1
3086173	Rotatable_Bond_Count	6
23080867	Molecular_Weight	113.11
336423	Molecular_Weight	386.5
32495	Defined_Bond_Stereo_Count	0
66573	Exact_Mass	240.089877630
11704019	Total_Formal_Charge	0
31255	Total_Formal_Charge	0
16211986	Rotatable_Bond_Count	1
134688930	Rotatable_Bond_Count	1
20775240	Mono_Isotopic_Weight	130.123189134
516892	Structure_Complexity	33.9
40473166	Total_Formal_Charge	0
3973	Non-hydrogen_Atom_Count	23
3049	Molecular_Weight	266.3
216992	Total_Formal_Charge	0
12431566	Non-hydrogen_Atom_Count	7
82650926	Defined_Atom_Stereo_Count	0
658	Total_Formal_Charge	0
79484	Structure_Complexity	171
44629601	Defined_Atom_Stereo_Count	2
9219	TPSA	28.7
133109195	Covalent_Unit_Count	1
3413278	Total_Formal_Charge	1
135398559	Non-hydrogen_Atom_Count	34
24181320	Molecular_Weight	343.27
55113	Molecular_Weight	306.0
12479	Non-hydrogen_Atom_Count	14
3074	Undefined_Bond_Stereo_Count	0
91438571	XLogP3-AA	1.5
36207	Rotatable_Bond_Count	5
135580753	Hydrogen_Bond_Acceptor_Count	4
11228765	Isotope_Atom_Count	0
562087	Mono_Isotopic_Weight	206.094294304
12358320	Hydrogen_Bond_Donor_Count	4
2079	Total_Formal_Charge	0
68019	Mono_Isotopic_Weight	206.0638410
16547	Undefined_Atom_Stereo_Count	0
21336418	Isotope_Atom_Count	0
122005	Isotope_Atom_Count	0
448223	Hydrogen_Bond_Donor_Count	1
38207	Tautomer_Count	1
70359	Undefined_Atom_Stereo_Count	0
45116669	Hydrogen_Bond_Donor_Count	1
123613360	Hydrogen_Bond_Donor_Count	0
3045402	Undefined_Atom_Stereo_Count	0
66100	Non-hydrogen_Atom_Count	16
705	Tautomer_Count	48
124602261	Covalent_Unit_Count	1
15737685	Hydrogen_Bond_Donor_Count	0
9774	XLogP3	0.7
53316386	Structure_Complexity	823
145996610	Hydrogen_Bond_Donor_Count	4
134825522	Defined_Bond_Stereo_Count	0
91563	Undefined_Atom_Stereo_Count	0
15394	Molecular_Weight	84.12
643835	Hydrogen_Bond_Acceptor_Count	0
24186254	Undefined_Atom_Stereo_Count	0
88580088	Hydrogen_Bond_Donor_Count	0
26156	XLogP3-AA	1.6
59665343	Covalent_Unit_Count	1
147570519	Non-hydrogen_Atom_Count	7
43962	Undefined_Atom_Stereo_Count	0
692159	Defined_Atom_Stereo_Count	0
70258	Rotatable_Bond_Count	0
21021867	Isotope_Atom_Count	0
55710	Hydrogen_Bond_Acceptor_Count	3
7156	XLogP3	1.7
65091	Tautomer_Count	3
5362894	Covalent_Unit_Count	1
88547603	Hydrogen_Bond_Donor_Count	5
50561	Undefined_Atom_Stereo_Count	0
6537498	Structure_Complexity	188
85693614	Non-hydrogen_Atom_Count	8
87262	Total_Formal_Charge	0
6180	Undefined_Atom_Stereo_Count	1
841462	Exact_Mass	333.0390411
75534860	Structure_Complexity	1220
75828	Mono_Isotopic_Weight	265.89008
7070	Tautomer_Count	1
177120	Undefined_Bond_Stereo_Count	0
12389638	Undefined_Atom_Stereo_Count	0
15981292	Undefined_Atom_Stereo_Count	0
7274	Hydrogen_Bond_Acceptor_Count	2
10035228	Molecular_Weight	181.15
94599	Defined_Bond_Stereo_Count	0
123791702	Undefined_Bond_Stereo_Count	1
9361	TPSA	194
78126908	Mono_Isotopic_Weight	472.31887450
160458	Exact_Mass	128.02735756
7812	Defined_Bond_Stereo_Count	0
137747	Tautomer_Count	1
297183	Exact_Mass	108.057514874
108835	Rotatable_Bond_Count	3
21932803	Defined_Atom_Stereo_Count	0
162148	Total_Formal_Charge	0
136257950	XLogP3-AA	4.7
24751	TPSA	25.1
54961	Rotatable_Bond_Count	5
534132	Mono_Isotopic_Weight	80.062600255
3058	Defined_Bond_Stereo_Count	0
137699165	TPSA	132
54581904	Hydrogen_Bond_Acceptor_Count	4
126624267	Defined_Atom_Stereo_Count	1
67811115	Hydrogen_Bond_Acceptor_Count	2
8085	Covalent_Unit_Count	1
5524	Molecular_Weight	215.29
602	Covalent_Unit_Count	1
18055	Undefined_Bond_Stereo_Count	0
18208	Non-hydrogen_Atom_Count	8
20056626	Undefined_Atom_Stereo_Count	1
637542	Undefined_Bond_Stereo_Count	0
16498	Isotope_Atom_Count	0
134506	Exact_Mass	288.208930132
523048	Hydrogen_Bond_Donor_Count	0
13574952	Covalent_Unit_Count	1
22024864	Exact_Mass	99.068413911
1341	XLogP3-AA	3.3
11985	Rotatable_Bond_Count	0
6745	Molecular_Weight	414.7
13068894	TPSA	17.1
2232	Exact_Mass	508.24678944
71306415	Hydrogen_Bond_Donor_Count	5
14017	Isotope_Atom_Count	0
11060	Rotatable_Bond_Count	9
543047	Total_Formal_Charge	0
90993	Mono_Isotopic_Weight	244.121177757
23692128	Non-hydrogen_Atom_Count	48
315341	Total_Formal_Charge	0
71463896	Undefined_Bond_Stereo_Count	0
129228	Hydrogen_Bond_Acceptor_Count	5
9418	Covalent_Unit_Count	2
14257662	Total_Formal_Charge	0
44590403	Defined_Bond_Stereo_Count	0
6702	Undefined_Atom_Stereo_Count	0
10430040	Isotope_Atom_Count	0
54411340	Covalent_Unit_Count	1
231934	Total_Formal_Charge	0
97702695	Hydrogen_Bond_Donor_Count	2
57400027	Mono_Isotopic_Weight	351.137162174
7393	Structure_Complexity	115
55287853	Defined_Atom_Stereo_Count	0
89100	Defined_Atom_Stereo_Count	0
59009	Undefined_Bond_Stereo_Count	0
71462100	Total_Formal_Charge	0
1392	Covalent_Unit_Count	1
158980	Hydrogen_Bond_Donor_Count	2
23688976	Defined_Bond_Stereo_Count	0
165600653	Isotope_Atom_Count	0
12441297	TPSA	25.8
20390093	Mono_Isotopic_Weight	100.027277375
11181	Isotope_Atom_Count	0
410615	Isotope_Atom_Count	0
2737793	Undefined_Bond_Stereo_Count	0
55287853	Rotatable_Bond_Count	2
4628	Structure_Complexity	446
70677682	Non-hydrogen_Atom_Count	30
1142	Undefined_Atom_Stereo_Count	5
11185559	Defined_Atom_Stereo_Count	0
90449	Covalent_Unit_Count	2
66906036	Total_Formal_Charge	0
44571147	Hydrogen_Bond_Acceptor_Count	8
64459	Undefined_Bond_Stereo_Count	0
70580528	Defined_Atom_Stereo_Count	7
10391	Tautomer_Count	2
25127713	Undefined_Bond_Stereo_Count	0
9223	Hydrogen_Bond_Acceptor_Count	1
25164075	Mono_Isotopic_Weight	382.02932852
2762834	Exact_Mass	113.027691913
12277679	Isotope_Atom_Count	0
72441	TPSA	144
165717	Exact_Mass	100.052429494
564980	Hydrogen_Bond_Acceptor_Count	3
6420033	Structure_Complexity	176
25167777	Defined_Atom_Stereo_Count	0
129816	Structure_Complexity	567
40466996	Hydrogen_Bond_Donor_Count	1
141076555	Exact_Mass	99.068413911
18755630	XLogP3-AA	1.1
51402807	Total_Formal_Charge	0
73885	Non-hydrogen_Atom_Count	7
77687	Undefined_Atom_Stereo_Count	0
2754342	Rotatable_Bond_Count	7
13418379	Non-hydrogen_Atom_Count	8
66908	Molecular_Weight	171.28
68837	Isotope_Atom_Count	0
5326751	Molecular_Weight	568.3
11957515	Defined_Bond_Stereo_Count	0
62810	Undefined_Atom_Stereo_Count	0
10029970	Isotope_Atom_Count	0
6885	Non-hydrogen_Atom_Count	10
642781	Hydrogen_Bond_Donor_Count	0
16318	Molecular_Weight	498.6
26859	Rotatable_Bond_Count	4
11040651	Defined_Atom_Stereo_Count	0
60154328	Hydrogen_Bond_Acceptor_Count	7
96826	TPSA	17.1
90713931	Structure_Complexity	2330
49800000	Undefined_Atom_Stereo_Count	1
6956334	Undefined_Atom_Stereo_Count	0
102492967	Hydrogen_Bond_Acceptor_Count	8
167085	Undefined_Atom_Stereo_Count	0
2733768	Structure_Complexity	858
549699	XLogP3-AA	0.9
60196327	Isotope_Atom_Count	0
4567175	Exact_Mass	318.18444672
119054	Hydrogen_Bond_Acceptor_Count	5
16132954	Defined_Atom_Stereo_Count	0
138275	Structure_Complexity	138
15826366	Undefined_Bond_Stereo_Count	0
442972	Total_Formal_Charge	0
12974	Hydrogen_Bond_Donor_Count	0
129691409	Hydrogen_Bond_Donor_Count	3
66559017	Molecular_Weight	389.3
47499	Non-hydrogen_Atom_Count	36
60196265	Covalent_Unit_Count	3
5367564	Rotatable_Bond_Count	3
90788020	Exact_Mass	114.068079557
131225344	Rotatable_Bond_Count	0
3037032	TPSA	60.4
65792	Covalent_Unit_Count	1
130128864	Covalent_Unit_Count	1
11274968	Structure_Complexity	74.2
44392220	Hydrogen_Bond_Acceptor_Count	3
16426	Undefined_Bond_Stereo_Count	0
12059921	Hydrogen_Bond_Acceptor_Count	1
107780	Isotope_Atom_Count	0
31203	Structure_Complexity	291
12942137	Undefined_Bond_Stereo_Count	0
463694	Hydrogen_Bond_Acceptor_Count	4
98416	Mono_Isotopic_Weight	246.125594432
18364965	Defined_Atom_Stereo_Count	0
11977152	Defined_Atom_Stereo_Count	0
179338	Mono_Isotopic_Weight	511.1584073
133688938	Defined_Bond_Stereo_Count	2
76687	Rotatable_Bond_Count	5
95269	TPSA	38.7
144895707	Undefined_Atom_Stereo_Count	3
16050553	Non-hydrogen_Atom_Count	28
67322	Hydrogen_Bond_Acceptor_Count	6
441406	Molecular_Weight	486.4
7062	Undefined_Atom_Stereo_Count	0
9502	Undefined_Bond_Stereo_Count	0
55286501	Structure_Complexity	119
4460493	Covalent_Unit_Count	1
9861	Exact_Mass	288.28284396
28532	Covalent_Unit_Count	1
98094	Molecular_Weight	128.22
70291	Structure_Complexity	293
51935	Defined_Bond_Stereo_Count	0
60983	TPSA	34.1
6925	Covalent_Unit_Count	1
63055	XLogP3	2.3
91471800	TPSA	56.2
40652	Defined_Bond_Stereo_Count	0
10887868	XLogP3-AA	0.1
13418386	Molecular_Weight	112.17
9859692	Defined_Atom_Stereo_Count	0
57258462	Covalent_Unit_Count	1
20129	Total_Formal_Charge	0
15271	Non-hydrogen_Atom_Count	9
2236	Exact_Mass	341.05355169
23151260	Covalent_Unit_Count	1
129738943	Mono_Isotopic_Weight	107.048347172
65974	Undefined_Bond_Stereo_Count	0
3650	Mono_Isotopic_Weight	148.02842019
6432115	Hydrogen_Bond_Donor_Count	0
57558295	Hydrogen_Bond_Acceptor_Count	2
3283	Isotope_Atom_Count	0
71311162	Exact_Mass	484.072670
12830793	Rotatable_Bond_Count	1
15951485	XLogP3-AA	3.4
7939	Hydrogen_Bond_Donor_Count	1
12423177	Mono_Isotopic_Weight	113.084063974
448055	Undefined_Atom_Stereo_Count	0
2347	Hydrogen_Bond_Donor_Count	0
89504167	Total_Formal_Charge	0
14181	Rotatable_Bond_Count	5
64040	Covalent_Unit_Count	1
123178849	Undefined_Bond_Stereo_Count	0
9821174	Covalent_Unit_Count	1
216227	Isotope_Atom_Count	0
79680	Non-hydrogen_Atom_Count	7
135439051	Structure_Complexity	215
65937	Tautomer_Count	2
5152	Total_Formal_Charge	0
12367598	Defined_Atom_Stereo_Count	0
21681979	Molecular_Weight	114.10
5019	Hydrogen_Bond_Donor_Count	3
88365	Undefined_Atom_Stereo_Count	0
85608268	Non-hydrogen_Atom_Count	8
4162	Defined_Bond_Stereo_Count	0
25001850	Isotope_Atom_Count	0
12443367	Isotope_Atom_Count	0
14306122	Hydrogen_Bond_Donor_Count	0
3568	Tautomer_Count	383
21411162	Total_Formal_Charge	0
87280891	Undefined_Bond_Stereo_Count	0
219224	Isotope_Atom_Count	0
287350	Defined_Bond_Stereo_Count	0
90202	Non-hydrogen_Atom_Count	15
3050408	Structure_Complexity	836
16052011	Hydrogen_Bond_Acceptor_Count	18
95724	Tautomer_Count	3
447480	Rotatable_Bond_Count	4
11546350	Undefined_Atom_Stereo_Count	0
2418	Rotatable_Bond_Count	4
10384666	Hydrogen_Bond_Donor_Count	2
6413	Isotope_Atom_Count	0
51142	XLogP3-AA	8
148201	Mono_Isotopic_Weight	646.27913494
10240761	Non-hydrogen_Atom_Count	6
18377	Covalent_Unit_Count	1
22091031	Exact_Mass	114.068079557
31903	Undefined_Bond_Stereo_Count	0
4317	TPSA	116
71750	Rotatable_Bond_Count	0
7473	Structure_Complexity	122
96268	Undefined_Bond_Stereo_Count	0
16222096	TPSA	64.6
53346496	Defined_Bond_Stereo_Count	0
705	Undefined_Bond_Stereo_Count	0
6419765	Exact_Mass	261.05719778
5228468	Non-hydrogen_Atom_Count	10
19068741	Rotatable_Bond_Count	1
2706	Undefined_Atom_Stereo_Count	4
92043261	Defined_Atom_Stereo_Count	0
13123887	Total_Formal_Charge	0
13083754	Molecular_Weight	112.17
1549237	Defined_Atom_Stereo_Count	0
18954381	Undefined_Bond_Stereo_Count	0
147226284	Undefined_Atom_Stereo_Count	2
13004	Defined_Atom_Stereo_Count	0
112322	Molecular_Weight	155.24
66577116	Hydrogen_Bond_Donor_Count	12
4807	Total_Formal_Charge	0
5736	Tautomer_Count	1
12479	TPSA	52.6
9821849	Molecular_Weight	391.5
640180	Rotatable_Bond_Count	4
94229	XLogP3	1.3
557021	Undefined_Bond_Stereo_Count	0
71745	Hydrogen_Bond_Donor_Count	2
135749824	Defined_Atom_Stereo_Count	9
91231076	Non-hydrogen_Atom_Count	8
5977	Total_Formal_Charge	0
119716	Isotope_Atom_Count	0
9973	Covalent_Unit_Count	1
50993725	Exact_Mass	377.1279474
25099474	Molecular_Weight	361.4
49857672	Undefined_Bond_Stereo_Count	0
694638	Non-hydrogen_Atom_Count	23
21590468	Isotope_Atom_Count	0
10887743	Rotatable_Bond_Count	26
11455910	Non-hydrogen_Atom_Count	41
12452048	Covalent_Unit_Count	1
129317062	Undefined_Atom_Stereo_Count	1
129774195	Rotatable_Bond_Count	0
68834	TPSA	92.1
14465	Undefined_Atom_Stereo_Count	0
123467456	Structure_Complexity	72.9
21093792	Rotatable_Bond_Count	4
364849	Isotope_Atom_Count	0
519559	Tautomer_Count	2
89789591	Undefined_Atom_Stereo_Count	0
44190035	Isotope_Atom_Count	0
36273	Mono_Isotopic_Weight	325.14601278
11027	Structure_Complexity	207
75800	Hydrogen_Bond_Acceptor_Count	3
46911863	Molecular_Weight	377.3
44629456	Mono_Isotopic_Weight	734.46906622
18727536	Undefined_Atom_Stereo_Count	0
26136	Undefined_Bond_Stereo_Count	0
304	Total_Formal_Charge	0
10931404	Undefined_Atom_Stereo_Count	0
54411340	Mono_Isotopic_Weight	95.048347172
2733497	Undefined_Bond_Stereo_Count	0
29359	Undefined_Bond_Stereo_Count	0
9808333	Exact_Mass	303.14705815
68713	Defined_Bond_Stereo_Count	0
27435	Rotatable_Bond_Count	3
83150	Undefined_Bond_Stereo_Count	0
5355858	Mono_Isotopic_Weight	284.177630004
4339838	Exact_Mass	633.42798706
164576789	Undefined_Bond_Stereo_Count	1
11749858	Defined_Bond_Stereo_Count	0
98930	Hydrogen_Bond_Acceptor_Count	2
107169	Hydrogen_Bond_Acceptor_Count	1
11243969	Defined_Atom_Stereo_Count	4
3758	Structure_Complexity	318
4042	Rotatable_Bond_Count	3
11527661	Rotatable_Bond_Count	7
12231382	Non-hydrogen_Atom_Count	8
57302612	Non-hydrogen_Atom_Count	6
6978	XLogP3	2
6917663	Covalent_Unit_Count	1
69932654	Non-hydrogen_Atom_Count	8
10108847	Isotope_Atom_Count	0
68169200	Structure_Complexity	122
65724	Total_Formal_Charge	0
3714831	Total_Formal_Charge	0
376375	Hydrogen_Bond_Donor_Count	2
56643420	Structure_Complexity	457
64421	Defined_Bond_Stereo_Count	0
10678204	Undefined_Atom_Stereo_Count	1
37720	Covalent_Unit_Count	1
5353853	XLogP3-AA	6.1
62835	Tautomer_Count	2
57131009	Defined_Atom_Stereo_Count	0
19193	Molecular_Weight	109.13
12225304	Undefined_Bond_Stereo_Count	0
24802163	Defined_Atom_Stereo_Count	3
85546	Undefined_Atom_Stereo_Count	0
8784	XLogP3	2.1
5282375	Undefined_Atom_Stereo_Count	0
37933	Defined_Bond_Stereo_Count	0
442636	Undefined_Bond_Stereo_Count	0
39738	Rotatable_Bond_Count	0
9589475	TPSA	259
658645	Undefined_Atom_Stereo_Count	2
5464037	Total_Formal_Charge	0
2736256	Total_Formal_Charge	0
18150	Molecular_Weight	120.58
10270986	Hydrogen_Bond_Acceptor_Count	8
13445116	Hydrogen_Bond_Donor_Count	0
8408	Defined_Bond_Stereo_Count	0
53846435	Isotope_Atom_Count	0
18430414	Covalent_Unit_Count	1
67615455	TPSA	110
22833321	XLogP3-AA	4.7
12532405	Non-hydrogen_Atom_Count	7
55284122	Hydrogen_Bond_Acceptor_Count	2
123840	Non-hydrogen_Atom_Count	23
86855	Structure_Complexity	66.8
664510	Hydrogen_Bond_Donor_Count	1
88890027	Rotatable_Bond_Count	1
24721009	Hydrogen_Bond_Donor_Count	2
117957447	Structure_Complexity	53.7
14552708	Defined_Atom_Stereo_Count	0
135005	Mono_Isotopic_Weight	196.063662883
5326566	Total_Formal_Charge	0
93012	Hydrogen_Bond_Donor_Count	1
15516956	Covalent_Unit_Count	1
11372270	Structure_Complexity	624
96405	Molecular_Weight	147.15
122174048	Structure_Complexity	1010
13364	Tautomer_Count	1
87212	Undefined_Bond_Stereo_Count	0
257	Isotope_Atom_Count	0
11675054	Defined_Atom_Stereo_Count	0
82472	Undefined_Atom_Stereo_Count	0
605283	Hydrogen_Bond_Donor_Count	2
16682738	TPSA	52.6
535813	Rotatable_Bond_Count	2
44394119	Mono_Isotopic_Weight	599.23778211
5311449	Non-hydrogen_Atom_Count	44
534688	Undefined_Bond_Stereo_Count	0
54676715	Defined_Bond_Stereo_Count	0
84937	Defined_Bond_Stereo_Count	0
18915596	TPSA	26
18137	Rotatable_Bond_Count	4
2209	Rotatable_Bond_Count	1
101988841	Exact_Mass	17.0375768735
11358	XLogP3	2.9
3034424	TPSA	26.3
24737670	Rotatable_Bond_Count	5
12486	Covalent_Unit_Count	1
21702414	Defined_Bond_Stereo_Count	0
50983	Defined_Atom_Stereo_Count	0
18541897	Isotope_Atom_Count	0
48080	Exact_Mass	419.1288213
61534	Exact_Mass	91.940821
12681848	Non-hydrogen_Atom_Count	21
135398513	Undefined_Bond_Stereo_Count	0
19621	Total_Formal_Charge	0
25526	Rotatable_Bond_Count	9
179336	Rotatable_Bond_Count	0
54677470	Molecular_Weight	351.4
70691388	Mono_Isotopic_Weight	3946.9206749
36920	Molecular_Weight	295.4
547064	Hydrogen_Bond_Donor_Count	0
143565	Total_Formal_Charge	0
6918140	Undefined_Bond_Stereo_Count	0
759	Structure_Complexity	1720
5364509	Hydrogen_Bond_Donor_Count	0
143035	Isotope_Atom_Count	0
39628	Tautomer_Count	1
63198	Structure_Complexity	344
57441994	Defined_Bond_Stereo_Count	0
33637	Hydrogen_Bond_Donor_Count	0
4846	Non-hydrogen_Atom_Count	23
106	Structure_Complexity	186
403016	Molecular_Weight	455.5
7898	Undefined_Bond_Stereo_Count	0
130025113	Defined_Bond_Stereo_Count	0
135413536	Undefined_Bond_Stereo_Count	0
151245	XLogP3-AA	3
143852	Tautomer_Count	1
5459124	Isotope_Atom_Count	0
5281884	TPSA	276
5182526	Hydrogen_Bond_Donor_Count	0
9941379	Tautomer_Count	1000
1284234	Undefined_Atom_Stereo_Count	0
13297	Total_Formal_Charge	0
22082546	Non-hydrogen_Atom_Count	7
4285	TPSA	43.7
13800357	Undefined_Bond_Stereo_Count	0
636523	Undefined_Bond_Stereo_Count	0
8129	Molecular_Weight	116.20
24865264	Defined_Atom_Stereo_Count	1
12302675	Covalent_Unit_Count	1
86857	Rotatable_Bond_Count	4
9824131	Undefined_Bond_Stereo_Count	0
88261	Exact_Mass	230.224580195
54539471	Covalent_Unit_Count	1
11443	Non-hydrogen_Atom_Count	13
398596	Isotope_Atom_Count	0
45934481	Undefined_Bond_Stereo_Count	0
85668777	XLogP3-AA	4
5765	TPSA	37.3
28506	Rotatable_Bond_Count	2
72784	Molecular_Weight	277.94
18542	Structure_Complexity	543
3647	Defined_Bond_Stereo_Count	0
123591	Defined_Bond_Stereo_Count	0
10176113	Exact_Mass	110.084398327
62770	Defined_Bond_Stereo_Count	0
134694678	Molecular_Weight	585.7
123600	Structure_Complexity	227
8948	Mono_Isotopic_Weight	139.945464
2156	Molecular_Weight	646.3
26662	Defined_Bond_Stereo_Count	0
10987348	TPSA	0
43976	Exact_Mass	328.0648413
441140	Rotatable_Bond_Count	3
406563	Defined_Bond_Stereo_Count	0
14759390	Isotope_Atom_Count	0
50614	Mono_Isotopic_Weight	575.00214522
117266483	Covalent_Unit_Count	1
23892	TPSA	104
11137890	Isotope_Atom_Count	0
56683653	Defined_Bond_Stereo_Count	0
2064030	Defined_Atom_Stereo_Count	0
1886	Exact_Mass	438.20423867
10287037	Total_Formal_Charge	0
214398	Undefined_Bond_Stereo_Count	0
418940	Undefined_Atom_Stereo_Count	1
93186	XLogP3-AA	3.4
89053237	Molecular_Weight	107.11
9838284	Structure_Complexity	319
10093379	Total_Formal_Charge	0
7622	TPSA	3.2
131704316	Defined_Atom_Stereo_Count	0
683563	Total_Formal_Charge	0
36383	XLogP3-AA	0.4
22866	Hydrogen_Bond_Acceptor_Count	14
24714	Rotatable_Bond_Count	9
5906	Isotope_Atom_Count	0
123336	Structure_Complexity	51.5
79013	Hydrogen_Bond_Acceptor_Count	2
102677	Exact_Mass	84.057514874
6433402	TPSA	34.1
46173802	Undefined_Atom_Stereo_Count	0
74062	Mono_Isotopic_Weight	255.98876
74329758	Undefined_Atom_Stereo_Count	2
81391	Hydrogen_Bond_Acceptor_Count	4
94381	Molecular_Weight	333.4
5735	Structure_Complexity	573
63963	Covalent_Unit_Count	1
2893	Total_Formal_Charge	0
2518	Rotatable_Bond_Count	2
14717865	Exact_Mass	110.084398327
10023121	Defined_Atom_Stereo_Count	0
74193	Non-hydrogen_Atom_Count	16
53247304	Hydrogen_Bond_Acceptor_Count	2
989	Undefined_Bond_Stereo_Count	0
104149	Tautomer_Count	1
5352833	Non-hydrogen_Atom_Count	8
443037	Covalent_Unit_Count	1
75564	Undefined_Atom_Stereo_Count	0
53385491	Covalent_Unit_Count	1
118984450	Undefined_Atom_Stereo_Count	0
8672	Undefined_Atom_Stereo_Count	0
3282	Exact_Mass	165.078978594
80152	Rotatable_Bond_Count	3
92729	TPSA	29.5
12476693	XLogP3-AA	0
4768	Undefined_Atom_Stereo_Count	1
46224600	Hydrogen_Bond_Donor_Count	18
2336530	Defined_Atom_Stereo_Count	0
5460504	Undefined_Bond_Stereo_Count	0
22897807	Hydrogen_Bond_Donor_Count	0
68703149	Defined_Bond_Stereo_Count	0
9366	Tautomer_Count	1
57081543	TPSA	56.9
38360	Structure_Complexity	130
67214	Structure_Complexity	1210
4441	TPSA	225
147246033	Mono_Isotopic_Weight	98.073164938
136582	Non-hydrogen_Atom_Count	7
22636846	Undefined_Bond_Stereo_Count	0
24680	Hydrogen_Bond_Acceptor_Count	1
20206050	Hydrogen_Bond_Acceptor_Count	2
15229227	Mono_Isotopic_Weight	231.0450916
21139920	Undefined_Bond_Stereo_Count	0
118253852	Rotatable_Bond_Count	5
57750343	Isotope_Atom_Count	0
9537	Isotope_Atom_Count	0
14437479	Non-hydrogen_Atom_Count	8
12672	TPSA	0
591	Structure_Complexity	1570
91610	Defined_Atom_Stereo_Count	0
43976	TPSA	67
447076	Exact_Mass	395.19573968
71304	Hydrogen_Bond_Acceptor_Count	4
9245	Non-hydrogen_Atom_Count	7
6387197	Hydrogen_Bond_Donor_Count	0
445212	Defined_Atom_Stereo_Count	4
72155	Total_Formal_Charge	0
69591	Hydrogen_Bond_Acceptor_Count	1
53319416	Defined_Bond_Stereo_Count	0
30690	Total_Formal_Charge	0
56840960	Hydrogen_Bond_Donor_Count	2
3064224	Undefined_Bond_Stereo_Count	0
34192	Covalent_Unit_Count	1
122174048	Defined_Atom_Stereo_Count	0
23276065	Exact_Mass	362.0144595
121225388	Defined_Atom_Stereo_Count	12
89976630	Structure_Complexity	124
5270576	Structure_Complexity	413
148676572	Rotatable_Bond_Count	0
82362	Hydrogen_Bond_Acceptor_Count	13
22624610	Exact_Mass	94.016712692
47979	Molecular_Weight	383.5
53906657	Hydrogen_Bond_Acceptor_Count	2
164914198	Undefined_Bond_Stereo_Count	0
16719897	Molecular_Weight	208.14
38972	Undefined_Bond_Stereo_Count	0
50962	Tautomer_Count	5
101649230	Non-hydrogen_Atom_Count	19
135449518	Undefined_Bond_Stereo_Count	0
140535901	Covalent_Unit_Count	1
67771108	Exact_Mass	100.052429494
91460	Undefined_Atom_Stereo_Count	0
10654192	Molecular_Weight	112.13
31265	Hydrogen_Bond_Acceptor_Count	2
167845	Mono_Isotopic_Weight	223.93009
61100	Molecular_Weight	234.28
95343	Structure_Complexity	227
67627471	Defined_Bond_Stereo_Count	0
88305	Covalent_Unit_Count	1
1234	Hydrogen_Bond_Donor_Count	0
21407	Hydrogen_Bond_Donor_Count	1
56955933	Hydrogen_Bond_Donor_Count	0
129801083	Defined_Atom_Stereo_Count	0
20767638	Hydrogen_Bond_Acceptor_Count	1
7090	Total_Formal_Charge	0
53678373	Rotatable_Bond_Count	0
791	Mono_Isotopic_Weight	131.094628657
6081	Hydrogen_Bond_Donor_Count	3
4329	Isotope_Atom_Count	0
9475	Exact_Mass	131.094628657
7222	TPSA	41.1
25077405	Mono_Isotopic_Weight	1321.63562577
17804394	Structure_Complexity	76.8
3332	Covalent_Unit_Count	1
20433	TPSA	63.5
5353843	Undefined_Bond_Stereo_Count	0
150175	Total_Formal_Charge	0
639095	Non-hydrogen_Atom_Count	7
11804893	Defined_Bond_Stereo_Count	0
159652940	Non-hydrogen_Atom_Count	6
12268621	Mono_Isotopic_Weight	113.047678466
133126687	Total_Formal_Charge	0
31426	Exact_Mass	267.05315777
4019563	Molecular_Weight	420.4
7597	Exact_Mass	214.062994177
118052411	Defined_Bond_Stereo_Count	0
15741339	TPSA	29.1
5817	Undefined_Atom_Stereo_Count	0
519415	TPSA	18.5
6603822	Hydrogen_Bond_Donor_Count	3
21282995	Exact_Mass	96.068748264
49865493	Hydrogen_Bond_Acceptor_Count	3
123417941	Exact_Mass	102.079312947
69356	Tautomer_Count	1
142044455	Molecular_Weight	108.18
49985	Molecular_Weight	211.17
704233	Total_Formal_Charge	0
2111	Defined_Bond_Stereo_Count	0
62327	Tautomer_Count	5
266934	Hydrogen_Bond_Donor_Count	5
447555	Defined_Atom_Stereo_Count	1
94317	TPSA	17.1
994360	TPSA	84.1
2734941	Exact_Mass	398.216337987
73438935	Defined_Atom_Stereo_Count	11
24437	Structure_Complexity	18.8
475318	Hydrogen_Bond_Donor_Count	1
14577080	Mono_Isotopic_Weight	285.0920418
16135076	Molecular_Weight	1459.1
61585	TPSA	17.1
25113190	Molecular_Weight	763.5
71679077	Undefined_Bond_Stereo_Count	0
8843	Total_Formal_Charge	0
136664419	Rotatable_Bond_Count	5
6326975	Defined_Bond_Stereo_Count	0
24825253	Total_Formal_Charge	0
163771360	Rotatable_Bond_Count	2
51579	XLogP3	2.6
5281647	Exact_Mass	422.08491139
41384	Undefined_Atom_Stereo_Count	0
6915835	Tautomer_Count	1
5466139	Rotatable_Bond_Count	1
9395	Covalent_Unit_Count	1
518996	Defined_Atom_Stereo_Count	0
39801	Total_Formal_Charge	0
101989	Mono_Isotopic_Weight	274.229665576
10772	Defined_Atom_Stereo_Count	0
37207	Undefined_Atom_Stereo_Count	0
13848132	Hydrogen_Bond_Acceptor_Count	3
61196	Structure_Complexity	164
116701105	Defined_Bond_Stereo_Count	0
88532	Hydrogen_Bond_Acceptor_Count	13
5541	Isotope_Atom_Count	0
69188	Covalent_Unit_Count	1
1415	Total_Formal_Charge	0
140532060	Undefined_Atom_Stereo_Count	0
44630107	Tautomer_Count	1
444041	Defined_Bond_Stereo_Count	0
135408511	Structure_Complexity	523
5284535	Tautomer_Count	9
3591	Undefined_Bond_Stereo_Count	3
59594973	Total_Formal_Charge	0
219018	Hydrogen_Bond_Donor_Count	2
36744	Total_Formal_Charge	0
10772946	Structure_Complexity	74.1
5694	Mono_Isotopic_Weight	323.0495256
7714	Molecular_Weight	184.27
1382059	Covalent_Unit_Count	1
84647714	Defined_Atom_Stereo_Count	0
42807	XLogP3	2.9
54207973	Defined_Atom_Stereo_Count	0
11908489	Non-hydrogen_Atom_Count	23
57621	Molecular_Weight	403.9
139591683	Isotope_Atom_Count	0
527072	TPSA	0
58936	Exact_Mass	289.1345753
55560	Non-hydrogen_Atom_Count	40
2211	Isotope_Atom_Count	0
6435993	Covalent_Unit_Count	2
40605	Rotatable_Bond_Count	3
510	Rotatable_Bond_Count	0
119606	Defined_Atom_Stereo_Count	0
149697	Isotope_Atom_Count	0
5461	Defined_Bond_Stereo_Count	0
21580808	Mono_Isotopic_Weight	273.12728871
107639	Structure_Complexity	0
23269081	Defined_Atom_Stereo_Count	0
6433208	Mono_Isotopic_Weight	472.090968
750204	Hydrogen_Bond_Donor_Count	1
237	Hydrogen_Bond_Donor_Count	1
753040	Molecular_Weight	344.16
166556	Hydrogen_Bond_Donor_Count	2
118978207	TPSA	20.2
3400822	Undefined_Atom_Stereo_Count	0
377	Hydrogen_Bond_Donor_Count	6
70916	Rotatable_Bond_Count	8
56208	Isotope_Atom_Count	0
130354549	Defined_Bond_Stereo_Count	0
35676	Structure_Complexity	203
59398673	Structure_Complexity	147
15702065	TPSA	37.3
8788	Undefined_Bond_Stereo_Count	0
7348	Isotope_Atom_Count	0
118578546	Hydrogen_Bond_Acceptor_Count	2
86751	Molecular_Weight	158.28
158882	XLogP3-AA	6.1
136096147	Defined_Bond_Stereo_Count	0
10855428	Total_Formal_Charge	0
5983	Hydrogen_Bond_Donor_Count	1
136489	Non-hydrogen_Atom_Count	7
30065	Total_Formal_Charge	0
53779	Total_Formal_Charge	0
91770	Defined_Bond_Stereo_Count	0
7421	XLogP3	1.6
630	Non-hydrogen_Atom_Count	13
18506421	Covalent_Unit_Count	1
35492	Covalent_Unit_Count	1
44520	Mono_Isotopic_Weight	224.201439453
24883467	Tautomer_Count	1
4555	Defined_Bond_Stereo_Count	0
170472	Hydrogen_Bond_Donor_Count	2
10145345	Total_Formal_Charge	0
23310226	Structure_Complexity	306
3894848	Covalent_Unit_Count	1
10622871	Defined_Atom_Stereo_Count	1
99894	Rotatable_Bond_Count	2
14944610	Hydrogen_Bond_Donor_Count	2
6133	Hydrogen_Bond_Acceptor_Count	15
91753	Hydrogen_Bond_Acceptor_Count	4
71335300	TPSA	12.5
661093	Structure_Complexity	361
92979	Defined_Bond_Stereo_Count	0
17304	XLogP3-AA	2
12428066	Hydrogen_Bond_Acceptor_Count	2
46891563	Covalent_Unit_Count	1
11137101	Exact_Mass	99.068413911
135621753	Undefined_Bond_Stereo_Count	0
135981362	Exact_Mass	410.18417193
219833	Tautomer_Count	1
68845	Rotatable_Bond_Count	5
6438129	Mono_Isotopic_Weight	405.12460863
436	Exact_Mass	192.089877630
13693	Covalent_Unit_Count	1
5287855	Defined_Atom_Stereo_Count	0
15457	Rotatable_Bond_Count	4
1650	Covalent_Unit_Count	1
96098	Tautomer_Count	1
14282406	TPSA	38.8
53705537	Defined_Atom_Stereo_Count	0
12240030	Covalent_Unit_Count	1
92174	Non-hydrogen_Atom_Count	7
449035	Defined_Bond_Stereo_Count	0
3651377	Undefined_Atom_Stereo_Count	0
148195	Structure_Complexity	790
60702934	Defined_Bond_Stereo_Count	0
10634	TPSA	40.5
3090	Defined_Atom_Stereo_Count	0
66414	Hydrogen_Bond_Donor_Count	2
7895	XLogP3	0.9
21677760	TPSA	60.2
134823960	Molecular_Weight	266.34
165611944	Non-hydrogen_Atom_Count	8
9861452	Total_Formal_Charge	0
26865	Rotatable_Bond_Count	3
644006	Undefined_Bond_Stereo_Count	0
16950	Exact_Mass	290.12263431
479	Non-hydrogen_Atom_Count	18
159755	Hydrogen_Bond_Donor_Count	1
14805639	Total_Formal_Charge	0
11332416	Isotope_Atom_Count	5
11346	XLogP3	1.3
15559154	Covalent_Unit_Count	1
22580	Hydrogen_Bond_Donor_Count	3
53395259	Rotatable_Bond_Count	8
567118	Mono_Isotopic_Weight	99.043261792
129688356	Molecular_Weight	235.26
13285535	Total_Formal_Charge	0
54675854	Defined_Atom_Stereo_Count	0
71709	Defined_Atom_Stereo_Count	0
81332758	Hydrogen_Bond_Donor_Count	0
6431	Defined_Atom_Stereo_Count	0
34949	Molecular_Weight	304.6
10080906	Tautomer_Count	1
448281	Structure_Complexity	527
13757192	Undefined_Atom_Stereo_Count	1
10080379	Defined_Atom_Stereo_Count	0
6762	Molecular_Weight	446.0
56972736	Structure_Complexity	105
22125	Structure_Complexity	395
146159909	Total_Formal_Charge	0
65835	Rotatable_Bond_Count	2
3229	Mono_Isotopic_Weight	320.12846858
6702	Isotope_Atom_Count	0
16694	Hydrogen_Bond_Acceptor_Count	0
5280531	Undefined_Atom_Stereo_Count	0
5281162	Total_Formal_Charge	0
47316	Rotatable_Bond_Count	6
13291788	Non-hydrogen_Atom_Count	7
12819963	Hydrogen_Bond_Acceptor_Count	1
65840	Isotope_Atom_Count	0
89646	Rotatable_Bond_Count	1
25203153	Undefined_Atom_Stereo_Count	0
12576587	Structure_Complexity	78.1
65125	Mono_Isotopic_Weight	112.03851076
36218	TPSA	0
131751341	Hydrogen_Bond_Donor_Count	8
5147171	Hydrogen_Bond_Acceptor_Count	4
6438149	Hydrogen_Bond_Acceptor_Count	6
24864462	Undefined_Bond_Stereo_Count	0
13628993	Hydrogen_Bond_Acceptor_Count	2
102106219	Hydrogen_Bond_Acceptor_Count	4
12754	Molecular_Weight	191.45
23926	Defined_Bond_Stereo_Count	0
155804760	Covalent_Unit_Count	1
101534	Mono_Isotopic_Weight	240.14739250
557495	Covalent_Unit_Count	1
119093923	Defined_Bond_Stereo_Count	0
97105	Defined_Bond_Stereo_Count	0
135399235	XLogP3-AA	1.6
11210173	Structure_Complexity	449
3036656	Rotatable_Bond_Count	7
5207587	Structure_Complexity	6.1
6979027	Molecular_Weight	303.35
5311055	Hydrogen_Bond_Acceptor_Count	3
21673601	Hydrogen_Bond_Donor_Count	1
10903	Hydrogen_Bond_Acceptor_Count	1
68689	Molecular_Weight	185.31
21805409	Mono_Isotopic_Weight	104.094963011
24765417	Non-hydrogen_Atom_Count	19
541087	Undefined_Atom_Stereo_Count	3
42268	Rotatable_Bond_Count	2
67259738	Molecular_Weight	110.07
65752	Rotatable_Bond_Count	0
825229	Covalent_Unit_Count	1
28767	Mono_Isotopic_Weight	307.029747
49248	Structure_Complexity	327
53806072	Covalent_Unit_Count	1
135566433	Covalent_Unit_Count	1
78904	Non-hydrogen_Atom_Count	10
24646	Total_Formal_Charge	0
3625248	Rotatable_Bond_Count	0
3644	Rotatable_Bond_Count	3
27882	Tautomer_Count	1
67497	Exact_Mass	184.03467143
129606985	Structure_Complexity	756
10159630	Undefined_Bond_Stereo_Count	0
11531537	Exact_Mass	404.26750763
6828	Undefined_Atom_Stereo_Count	0
53143	Hydrogen_Bond_Donor_Count	2
25077993	Isotope_Atom_Count	0
79067	Undefined_Bond_Stereo_Count	0
243859	Isotope_Atom_Count	0
2762864	Undefined_Bond_Stereo_Count	0
1328	XLogP3	2.9
71541292	TPSA	45.4
69578	Exact_Mass	94.00303452
123630	Isotope_Atom_Count	0
439518	Hydrogen_Bond_Acceptor_Count	9
413538	Defined_Bond_Stereo_Count	0
11285792	Hydrogen_Bond_Acceptor_Count	7
8791	Undefined_Atom_Stereo_Count	0
449355	Defined_Bond_Stereo_Count	0
527559	Rotatable_Bond_Count	2
136703	Non-hydrogen_Atom_Count	8
20693488	Structure_Complexity	28.7
129508	Non-hydrogen_Atom_Count	26
25262965	Defined_Atom_Stereo_Count	2
9908927	Mono_Isotopic_Weight	396.77711
13157	Defined_Atom_Stereo_Count	0
57674785	Rotatable_Bond_Count	2
69102	Non-hydrogen_Atom_Count	12
10028615	Mono_Isotopic_Weight	492.24243570
868031	Covalent_Unit_Count	1
21339024	Undefined_Atom_Stereo_Count	3
154214	Defined_Bond_Stereo_Count	0
448051	Undefined_Bond_Stereo_Count	0
47035	Rotatable_Bond_Count	4
4250936	Rotatable_Bond_Count	0
8154	Exact_Mass	319.3005780
169016	Hydrogen_Bond_Acceptor_Count	5
131801471	Non-hydrogen_Atom_Count	457
14758064	Defined_Bond_Stereo_Count	0
201990	Molecular_Weight	110.16
62542	Undefined_Atom_Stereo_Count	0
9816	Undefined_Bond_Stereo_Count	0
27918	Hydrogen_Bond_Acceptor_Count	3
91496	Mono_Isotopic_Weight	152.120115130
162344793	Hydrogen_Bond_Acceptor_Count	9
142552	Defined_Atom_Stereo_Count	0
1416277	Non-hydrogen_Atom_Count	6
345088	Undefined_Atom_Stereo_Count	0
575278	Exact_Mass	115.099714038
33286	Non-hydrogen_Atom_Count	10
123292394	Rotatable_Bond_Count	0
45788576	Mono_Isotopic_Weight	111.068413911
647893	Exact_Mass	427.15657746
20054871	Rotatable_Bond_Count	7
59277756	Structure_Complexity	58.1
102286157	Structure_Complexity	333
10855	Non-hydrogen_Atom_Count	16
10346039	Defined_Atom_Stereo_Count	7
114946	Isotope_Atom_Count	0
23676755	Total_Formal_Charge	0
2804680	Rotatable_Bond_Count	2
56620695	Hydrogen_Bond_Acceptor_Count	3
15376	Covalent_Unit_Count	1
50045	XLogP3-AA	2.4
2724372	Molecular_Weight	294.4
64143	Mono_Isotopic_Weight	567.31307810
129681809	Defined_Atom_Stereo_Count	0
21864164	Hydrogen_Bond_Acceptor_Count	3
6326719	Structure_Complexity	1940
2745	Undefined_Atom_Stereo_Count	5
4714	Mono_Isotopic_Weight	496.39164552
64148	Molecular_Weight	240.3
24533	Non-hydrogen_Atom_Count	2
177708	Non-hydrogen_Atom_Count	1
11159305	Mono_Isotopic_Weight	110.073164938
138950	Hydrogen_Bond_Donor_Count	0
191468	Covalent_Unit_Count	1
73854	Rotatable_Bond_Count	13
148140	Molecular_Weight	161.20
15627	TPSA	0
6378649	Exact_Mass	156.115029749
24424	Undefined_Atom_Stereo_Count	0
13791578	Structure_Complexity	84.2
71306404	Structure_Complexity	14000
6077	Hydrogen_Bond_Donor_Count	0
46878493	XLogP3-AA	0.6
1070	Structure_Complexity	522
65667	XLogP3-AA	3.1
79059	TPSA	42.5
12872199	Exact_Mass	112.052429494
45267632	Non-hydrogen_Atom_Count	33
150841	Total_Formal_Charge	0
81166	Exact_Mass	199.06669983
21940933	Molecular_Weight	606.1
2345	TPSA	26.3
85627952	Isotope_Atom_Count	0
518966	Mono_Isotopic_Weight	80.062600255
117736498	Mono_Isotopic_Weight	106.041864811
135402045	Non-hydrogen_Atom_Count	17
11332430	Structure_Complexity	132
1064	Hydrogen_Bond_Acceptor_Count	6
56658436	Defined_Atom_Stereo_Count	0
15480	Total_Formal_Charge	0
14508	Covalent_Unit_Count	1
153	Hydrogen_Bond_Donor_Count	5
71462510	Defined_Atom_Stereo_Count	0
12966	Exact_Mass	202.12050905
57390867	Defined_Bond_Stereo_Count	0
10606713	Isotope_Atom_Count	0
105101	Structure_Complexity	255
23991	Rotatable_Bond_Count	0
13347992	Rotatable_Bond_Count	0
193581	Exact_Mass	108.05349212
6444037	Rotatable_Bond_Count	22
65723	Undefined_Atom_Stereo_Count	0
20055404	Defined_Bond_Stereo_Count	0
81047	XLogP3-AA	5.3
4090	Defined_Atom_Stereo_Count	0
8330	Rotatable_Bond_Count	0
5289613	Exact_Mass	234.05282342
21282995	Undefined_Bond_Stereo_Count	0
96458	Defined_Bond_Stereo_Count	0
15816	Isotope_Atom_Count	0
14707	Rotatable_Bond_Count	3
21948654	TPSA	51.6
56669107	Defined_Atom_Stereo_Count	0
70589	Undefined_Atom_Stereo_Count	0
140607	Hydrogen_Bond_Donor_Count	0
57397461	Molecular_Weight	409.9
73049652	Molecular_Weight	957.9
74141	TPSA	75.7
53477580	Total_Formal_Charge	0
3033673	Defined_Atom_Stereo_Count	0
21870	Total_Formal_Charge	0
16048558	Exact_Mass	230.094294304
534940	Mono_Isotopic_Weight	101.047678466
101998518	Hydrogen_Bond_Donor_Count	1
24752	Exact_Mass	190.15689456
232326	Structure_Complexity	441
57403867	Hydrogen_Bond_Donor_Count	3
72296	Non-hydrogen_Atom_Count	20
155903675	Total_Formal_Charge	0
2585	Hydrogen_Bond_Acceptor_Count	5
5249877	Defined_Atom_Stereo_Count	0
87468828	Hydrogen_Bond_Donor_Count	0
9589475	Molecular_Weight	522.6
95400	Defined_Atom_Stereo_Count	0
10094429	Rotatable_Bond_Count	6
4498	Mono_Isotopic_Weight	129.078978594
192160	Hydrogen_Bond_Acceptor_Count	3
3037131	Defined_Atom_Stereo_Count	0
116	Hydrogen_Bond_Donor_Count	3
87743	Molecular_Weight	378.25
51762	Exact_Mass	326.12263431
13520	Isotope_Atom_Count	0
87518	Hydrogen_Bond_Acceptor_Count	2
5283339	Isotope_Atom_Count	0
83952	Isotope_Atom_Count	0
15204529	XLogP3-AA	1.1
11073371	Undefined_Atom_Stereo_Count	0
1516505	Total_Formal_Charge	0
56841558	Molecular_Weight	1477.9
72160	Undefined_Atom_Stereo_Count	0
135412725	TPSA	129
162531	Hydrogen_Bond_Donor_Count	0
101136808	Undefined_Bond_Stereo_Count	0
118946372	Rotatable_Bond_Count	8
82528	Hydrogen_Bond_Donor_Count	0
69892	XLogP3-AA	2.2
469	Defined_Atom_Stereo_Count	0
91760	Rotatable_Bond_Count	3
5074	TPSA	61.2
9863303	Rotatable_Bond_Count	4
6763	Molecular_Weight	208.21
638793	Mono_Isotopic_Weight	1181.57302551
17131	Total_Formal_Charge	0
79178156	Molecular_Weight	100.12
8412	Defined_Bond_Stereo_Count	0
36832	Defined_Atom_Stereo_Count	0
12309464	Total_Formal_Charge	0
43261	Isotope_Atom_Count	0
21161643	Covalent_Unit_Count	1
154184678	Undefined_Atom_Stereo_Count	2
64953	Exact_Mass	365.00705
11030410	Hydrogen_Bond_Acceptor_Count	6
22158518	Total_Formal_Charge	0
4040	Isotope_Atom_Count	0
9073	Rotatable_Bond_Count	5
67240553	Defined_Atom_Stereo_Count	0
7067359	Isotope_Atom_Count	0
25050	Defined_Bond_Stereo_Count	0
1733	Rotatable_Bond_Count	0
131167766	Total_Formal_Charge	0
29728	Mono_Isotopic_Weight	269.88910
219023	Hydrogen_Bond_Donor_Count	1
18370	Rotatable_Bond_Count	1
23730858	Undefined_Bond_Stereo_Count	0
22832	Structure_Complexity	1640
1550846	Non-hydrogen_Atom_Count	10
1918	Mono_Isotopic_Weight	814.18368448
71460924	Exact_Mass	525.2030488
2058	Non-hydrogen_Atom_Count	24
44338784	Non-hydrogen_Atom_Count	34
133637885	Isotope_Atom_Count	0
22245467	TPSA	127
9904	Total_Formal_Charge	0
15066029	TPSA	18.5
50262	XLogP3-AA	1
25037407	Structure_Complexity	638
12675	Hydrogen_Bond_Donor_Count	0
6602103	TPSA	127
135435111	Defined_Atom_Stereo_Count	4
71695437	TPSA	33
71517699	Covalent_Unit_Count	1
6369389	Undefined_Atom_Stereo_Count	0
13348002	Mono_Isotopic_Weight	108.093900383
22571	Molecular_Weight	361.5
34636	Tautomer_Count	1
129628181	Structure_Complexity	2340
73437646	Exact_Mass	323.23675420
135332658	Total_Formal_Charge	0
5281042	Structure_Complexity	1550
61918	Defined_Atom_Stereo_Count	0
11519069	TPSA	29.5
21975	Hydrogen_Bond_Acceptor_Count	9
57394598	Undefined_Atom_Stereo_Count	0
137268	Structure_Complexity	109
91259187	Defined_Atom_Stereo_Count	0
75923	TPSA	0
27350	Defined_Bond_Stereo_Count	0
14251	TPSA	0
54120	Total_Formal_Charge	0
100516	Undefined_Atom_Stereo_Count	0
12513420	Mono_Isotopic_Weight	98.073164938
12732836	Hydrogen_Bond_Acceptor_Count	1
156358	Defined_Atom_Stereo_Count	0
3865	Undefined_Bond_Stereo_Count	0
73537	Defined_Atom_Stereo_Count	2
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5353761	TPSA	26.3
4740	Defined_Bond_Stereo_Count	0
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139080230	Molecular_Weight	446.4
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527	XLogP3	0.6
519418	Mono_Isotopic_Weight	157.0658271
6337	Undefined_Atom_Stereo_Count	0
2576	Structure_Complexity	281
44311916	Mono_Isotopic_Weight	1018.44048069
54095609	XLogP3-AA	0.9
208832	Undefined_Bond_Stereo_Count	0
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5329098	XLogP3-AA	2.5
74096	Rotatable_Bond_Count	5
140850	TPSA	60.7
98633	Molecular_Weight	211.26
31283	Isotope_Atom_Count	0
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143917	Molecular_Weight	92.14
119054	Undefined_Atom_Stereo_Count	0
24699	Molecular_Weight	358.6
439196	Mono_Isotopic_Weight	154.01222190
68604	TPSA	78.3
94280	Defined_Bond_Stereo_Count	0
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12011	Defined_Bond_Stereo_Count	0
67858481	XLogP3-AA	0
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216324	Mono_Isotopic_Weight	371.00508323
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633	TPSA	34.1
2487	Hydrogen_Bond_Acceptor_Count	3
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101576	XLogP3-AA	3.1
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23674	Defined_Bond_Stereo_Count	0
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33630	Defined_Bond_Stereo_Count	0
14397832	Exact_Mass	99.043261792
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637858	Defined_Bond_Stereo_Count	1
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20928	Undefined_Bond_Stereo_Count	0
57465	Total_Formal_Charge	1
47965	Covalent_Unit_Count	1
48807	XLogP3	2.6
20056682	Total_Formal_Charge	0
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70722	Defined_Bond_Stereo_Count	0
37865	Undefined_Bond_Stereo_Count	0
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7428	Covalent_Unit_Count	1
53249535	Non-hydrogen_Atom_Count	26
78759348	TPSA	95.6
2451	Isotope_Atom_Count	0
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72187	Tautomer_Count	3
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68870	Rotatable_Bond_Count	8
62403	Rotatable_Bond_Count	9
2742181	Defined_Atom_Stereo_Count	0
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3839223	Defined_Bond_Stereo_Count	0
60196435	Molecular_Weight	419.4
53639246	Hydrogen_Bond_Acceptor_Count	2
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2375	Defined_Atom_Stereo_Count	0
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12358851	Exact_Mass	243.08552052
58084	Tautomer_Count	1
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20100130	Non-hydrogen_Atom_Count	18
104804	Structure_Complexity	91.5
81129	Non-hydrogen_Atom_Count	9
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6827	XLogP3-AA	6
798232	Molecular_Weight	340.8
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71463896	Structure_Complexity	1060
129913833	Undefined_Bond_Stereo_Count	0
205708	Hydrogen_Bond_Donor_Count	2
11715	Defined_Atom_Stereo_Count	0
136216662	Total_Formal_Charge	0
21248212	Hydrogen_Bond_Donor_Count	0
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9269197	Mono_Isotopic_Weight	379.20082506
24041599	Structure_Complexity	642
656580	Non-hydrogen_Atom_Count	27
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26136	XLogP3-AA	1.7
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9543443	Exact_Mass	361.07661306
692135	Hydrogen_Bond_Donor_Count	1
106	Molecular_Weight	185.07
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247929	Tautomer_Count	9
5282138	Structure_Complexity	896
9839306	Non-hydrogen_Atom_Count	22
59464331	Molecular_Weight	438.5
61029	Structure_Complexity	366
74760	Hydrogen_Bond_Acceptor_Count	2
13415147	Defined_Atom_Stereo_Count	0
4319	Total_Formal_Charge	0
9930	Undefined_Atom_Stereo_Count	0
127757	Total_Formal_Charge	0
33038	Structure_Complexity	311
511	Rotatable_Bond_Count	10
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135436538	Defined_Bond_Stereo_Count	0
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3164136	Covalent_Unit_Count	1
17019	Hydrogen_Bond_Acceptor_Count	0
27236	Undefined_Bond_Stereo_Count	0
12262514	Hydrogen_Bond_Donor_Count	1
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82646	Defined_Atom_Stereo_Count	0
135402338	Undefined_Atom_Stereo_Count	0
20429663	Undefined_Bond_Stereo_Count	0
76079	Structure_Complexity	128
21677759	XLogP3	0.8
2440	Isotope_Atom_Count	0
56637807	Rotatable_Bond_Count	0
13619723	Hydrogen_Bond_Donor_Count	1
15456	Non-hydrogen_Atom_Count	18
93189	Exact_Mass	178.135765193
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96563	Defined_Bond_Stereo_Count	0
15983553	Molecular_Weight	455.5
443100	Isotope_Atom_Count	0
98627	Total_Formal_Charge	0
23163355	Defined_Atom_Stereo_Count	0
627923	Molecular_Weight	307.35
4282864	Exact_Mass	868.02333415
76	Structure_Complexity	508
8571	Defined_Atom_Stereo_Count	0
53870	Non-hydrogen_Atom_Count	18
56673690	TPSA	108
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604519	Covalent_Unit_Count	1
10553	Molecular_Weight	70.13
443100	Rotatable_Bond_Count	8
14470	Defined_Bond_Stereo_Count	0
82458	XLogP3-AA	5.9
4308	TPSA	75.6
214321	Non-hydrogen_Atom_Count	14
6996	Molecular_Weight	140.56
6564	Covalent_Unit_Count	1
36538	Isotope_Atom_Count	0
68976	Molecular_Weight	153.95
1369	Structure_Complexity	439
9410	Molecular_Weight	303.8
52943334	Defined_Atom_Stereo_Count	1
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49757967	Structure_Complexity	67.4
163276251	Hydrogen_Bond_Donor_Count	0
12953697	Covalent_Unit_Count	1
45157716	Hydrogen_Bond_Donor_Count	5
118437609	Mono_Isotopic_Weight	115.063328530
20782632	Mono_Isotopic_Weight	114.104465066
90927	Defined_Bond_Stereo_Count	0
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14768	Covalent_Unit_Count	1
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144189552	Molecular_Weight	113.11
92763	Molecular_Weight	547.5
11829354	XLogP3-AA	1.2
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14268486	Structure_Complexity	90.6
70480850	Structure_Complexity	68.9
6918558	Covalent_Unit_Count	1
157350	Rotatable_Bond_Count	0
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8219	Total_Formal_Charge	0
13382623	Covalent_Unit_Count	1
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11396600	Defined_Atom_Stereo_Count	5
91365800	Defined_Bond_Stereo_Count	0
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7817	Hydrogen_Bond_Donor_Count	2
7907	Defined_Atom_Stereo_Count	0
64992139	Isotope_Atom_Count	0
11449	Isotope_Atom_Count	0
20392	Mono_Isotopic_Weight	180.04225873
34457	Defined_Atom_Stereo_Count	7
3200	Structure_Complexity	239
24014	Isotope_Atom_Count	0
84002	Hydrogen_Bond_Donor_Count	3
14121451	XLogP3-AA	0
67126	Defined_Bond_Stereo_Count	0
3829279	Rotatable_Bond_Count	3
122081	Undefined_Bond_Stereo_Count	0
751826	Covalent_Unit_Count	1
10727124	Total_Formal_Charge	0
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52941509	Undefined_Bond_Stereo_Count	0
5351	XLogP3-AA	1.2
139060478	Undefined_Bond_Stereo_Count	0
23284	Non-hydrogen_Atom_Count	20
15295	Exact_Mass	158.01328108
5327065	Isotope_Atom_Count	0
71237	Mono_Isotopic_Weight	277.04802588
20255128	Hydrogen_Bond_Acceptor_Count	1
20262	Tautomer_Count	3
103563866	Undefined_Bond_Stereo_Count	0
15903	Exact_Mass	114.068079557
5459830	Rotatable_Bond_Count	3
641005	Tautomer_Count	1
87868	Undefined_Atom_Stereo_Count	0
10282517	Defined_Atom_Stereo_Count	0
53851	Structure_Complexity	342
447569	Exact_Mass	131.058243149
825	Rotatable_Bond_Count	1
83904778	Defined_Atom_Stereo_Count	0
63021	Exact_Mass	340.20384475
54014389	Defined_Atom_Stereo_Count	0
9934	Total_Formal_Charge	0
58781694	Exact_Mass	115.063328530
3437714	Non-hydrogen_Atom_Count	12
5284583	Covalent_Unit_Count	1
126083	Mono_Isotopic_Weight	314.16641387
84292	Isotope_Atom_Count	0
86181474	Defined_Bond_Stereo_Count	0
6852400	Molecular_Weight	398.0
9960569	Hydrogen_Bond_Acceptor_Count	10
9961434	Structure_Complexity	802
441140	XLogP3	2.2
46934730	Mono_Isotopic_Weight	265.09635999
12018	XLogP3-AA	0.8
14066	Hydrogen_Bond_Acceptor_Count	2
91468	Hydrogen_Bond_Donor_Count	0
12303662	Defined_Bond_Stereo_Count	0
3567233	TPSA	26
449462	Mono_Isotopic_Weight	179.07937252
19979685	Molecular_Weight	112.13
6918248	Tautomer_Count	2
68414798	Rotatable_Bond_Count	5
46783063	Exact_Mass	364.1376123
11051613	Exact_Mass	114.068079557
192706	Mono_Isotopic_Weight	337.17902698
69430	TPSA	40.9
17877642	Rotatable_Bond_Count	1
5084	Undefined_Bond_Stereo_Count	0
4369188	Structure_Complexity	1200
77332	TPSA	9.2
150	Exact_Mass	229.03513872
2236	Rotatable_Bond_Count	2
890718	Total_Formal_Charge	0
5223	Defined_Atom_Stereo_Count	0
107649	Total_Formal_Charge	2
7342	Structure_Complexity	76.6
56746	Hydrogen_Bond_Acceptor_Count	4
636396	Hydrogen_Bond_Donor_Count	13
925253	Hydrogen_Bond_Donor_Count	1
15436	XLogP3-AA	1.3
57993933	Hydrogen_Bond_Acceptor_Count	1
2451	Undefined_Bond_Stereo_Count	0
44792	Hydrogen_Bond_Donor_Count	2
57398166	Undefined_Bond_Stereo_Count	0
22082547	Hydrogen_Bond_Acceptor_Count	3
140784	TPSA	0
1551553	Hydrogen_Bond_Acceptor_Count	4
10799	Hydrogen_Bond_Acceptor_Count	6
6410758	Molecular_Weight	462.5
136323	Hydrogen_Bond_Acceptor_Count	0
61622	Total_Formal_Charge	0
14018	Undefined_Atom_Stereo_Count	0
10415	XLogP3-AA	2.8
23159180	Hydrogen_Bond_Donor_Count	1
76966485	Isotope_Atom_Count	0
4412	Mono_Isotopic_Weight	743.07545344
3015009	Exact_Mass	34.99554627
192627	Mono_Isotopic_Weight	289.13140809
97171	Hydrogen_Bond_Acceptor_Count	3
23092834	Defined_Atom_Stereo_Count	0
16123056	Mono_Isotopic_Weight	270.12290909
17352	Exact_Mass	71.073499291
65565	Defined_Atom_Stereo_Count	0
148123	Defined_Bond_Stereo_Count	0
57064571	Hydrogen_Bond_Donor_Count	0
58657603	Undefined_Atom_Stereo_Count	0
58606855	Hydrogen_Bond_Donor_Count	0
22505043	Defined_Atom_Stereo_Count	0
154016567	Defined_Bond_Stereo_Count	0
16079005	Isotope_Atom_Count	0
14340	Defined_Bond_Stereo_Count	0
146159250	Covalent_Unit_Count	1
142798	Total_Formal_Charge	0
5363858	Molecular_Weight	198.26
98042	Undefined_Bond_Stereo_Count	0
5038	Defined_Atom_Stereo_Count	0
123413	Mono_Isotopic_Weight	114.104465066
23642301	Total_Formal_Charge	0
9799518	Structure_Complexity	554
54151808	Mono_Isotopic_Weight	114.104465066
141010	Non-hydrogen_Atom_Count	14
233085	Hydrogen_Bond_Acceptor_Count	4
630882	Defined_Atom_Stereo_Count	0
77987229	Covalent_Unit_Count	1
51941	Rotatable_Bond_Count	2
55286731	Total_Formal_Charge	0
86200	Undefined_Bond_Stereo_Count	0
60904070	Hydrogen_Bond_Donor_Count	0
17155	Defined_Bond_Stereo_Count	0
5288799	Total_Formal_Charge	0
27982	Hydrogen_Bond_Acceptor_Count	3
37239	Total_Formal_Charge	1
9571109	Defined_Bond_Stereo_Count	1
14708733	Molecular_Weight	408.4
701083	Molecular_Weight	349.3
91	Non-hydrogen_Atom_Count	12
8407	Undefined_Bond_Stereo_Count	0
65513	TPSA	210
11386761	Covalent_Unit_Count	1
17887248	Hydrogen_Bond_Donor_Count	2
13367	Hydrogen_Bond_Acceptor_Count	1
74245	Defined_Atom_Stereo_Count	0
640308	Defined_Atom_Stereo_Count	0
20935	Structure_Complexity	50
13671	Molecular_Weight	181.15
89389546	Isotope_Atom_Count	0
2771013	TPSA	95.9
11556427	Undefined_Bond_Stereo_Count	0
418296	Covalent_Unit_Count	1
7897	Non-hydrogen_Atom_Count	6
20190619	Defined_Bond_Stereo_Count	0
60192	Rotatable_Bond_Count	11
61349	Undefined_Bond_Stereo_Count	0
7234	Structure_Complexity	255
13444041	TPSA	45
131204	TPSA	89.8
519112	Defined_Atom_Stereo_Count	0
11288	Hydrogen_Bond_Donor_Count	3
10219384	Non-hydrogen_Atom_Count	5
6993205	Non-hydrogen_Atom_Count	20
6327132	Total_Formal_Charge	0
6730	Undefined_Bond_Stereo_Count	0
918412	Defined_Bond_Stereo_Count	0
9727	Covalent_Unit_Count	1
13468167	TPSA	20.2
11483754	Defined_Atom_Stereo_Count	4
101630689	Rotatable_Bond_Count	6
6957647	Defined_Atom_Stereo_Count	0
125347	Mono_Isotopic_Weight	372.15460314
70447154	Total_Formal_Charge	0
61040	Hydrogen_Bond_Acceptor_Count	2
4068533	Covalent_Unit_Count	2
443879	Tautomer_Count	90
2724564	Hydrogen_Bond_Acceptor_Count	2
9918460	Hydrogen_Bond_Donor_Count	2
54682458	Undefined_Bond_Stereo_Count	0
9846588	Mono_Isotopic_Weight	450.23660143
11017510	TPSA	36.9
9128	Defined_Bond_Stereo_Count	0
53316386	Undefined_Bond_Stereo_Count	0
230351	Rotatable_Bond_Count	0
540327	Isotope_Atom_Count	0
68741938	Rotatable_Bond_Count	5
6602378	Defined_Bond_Stereo_Count	1
39031	Isotope_Atom_Count	0
132647840	Molecular_Weight	156.19
61057	Exact_Mass	184.182715385
82935	Structure_Complexity	2.8
23688461	Covalent_Unit_Count	2
16133838	Hydrogen_Bond_Acceptor_Count	54
9831783	Non-hydrogen_Atom_Count	52
684433	XLogP3-AA	3.2
99451	Structure_Complexity	182
9803788	Exact_Mass	448.03017
859122	Hydrogen_Bond_Donor_Count	0
131634493	Hydrogen_Bond_Acceptor_Count	35
6433695	Defined_Atom_Stereo_Count	0
14671580	Molecular_Weight	114.19
7163	XLogP3-AA	6.8
154106457	Hydrogen_Bond_Donor_Count	1
91711338	Mono_Isotopic_Weight	302.224580195
192857	Covalent_Unit_Count	2
119025724	Undefined_Bond_Stereo_Count	0
402037	Isotope_Atom_Count	0
3605	Molecular_Weight	865.7
9263	Structure_Complexity	26.5
37497	Non-hydrogen_Atom_Count	20
118984445	Hydrogen_Bond_Acceptor_Count	91
898	Molecular_Weight	301.19
8366	TPSA	79.1
72703790	Isotope_Atom_Count	0
6433513	Hydrogen_Bond_Acceptor_Count	4
67330085	Exact_Mass	526.14461000
10295970	Covalent_Unit_Count	1
5281120	Total_Formal_Charge	0
9548659	Isotope_Atom_Count	0
5311176	Total_Formal_Charge	0
81325	Isotope_Atom_Count	0
2864	TPSA	108
189031	Isotope_Atom_Count	0
398678	Isotope_Atom_Count	0
10875	Defined_Bond_Stereo_Count	0
3699841	Rotatable_Bond_Count	2
46174453	Mono_Isotopic_Weight	301.0782389
97469	Structure_Complexity	159
643981	Defined_Bond_Stereo_Count	0
20705517	Isotope_Atom_Count	0
23114997	XLogP3-AA	1.3
64107	TPSA	118
155920671	Hydrogen_Bond_Donor_Count	5
17860	Tautomer_Count	1
39929	Mono_Isotopic_Weight	303.901626
140956	Non-hydrogen_Atom_Count	13
35775	Undefined_Bond_Stereo_Count	0
12959090	Molecular_Weight	85.10
15148131	Defined_Bond_Stereo_Count	0
12302673	Hydrogen_Bond_Acceptor_Count	11
167807	Hydrogen_Bond_Acceptor_Count	4
81569	Tautomer_Count	1
134695314	Defined_Atom_Stereo_Count	9
10221	Molecular_Weight	188.18
62105	Tautomer_Count	1
5702160	Exact_Mass	337.04493627
52945780	Structure_Complexity	671
13570516	XLogP3-AA	1.4
75445	Exact_Mass	477.314398257
10419137	Hydrogen_Bond_Donor_Count	1
146158506	Covalent_Unit_Count	1
90730816	Defined_Atom_Stereo_Count	0
5779	Molecular_Weight	150.13
23724817	Rotatable_Bond_Count	12
6604189	Hydrogen_Bond_Donor_Count	0
71306720	Covalent_Unit_Count	1
65335	Non-hydrogen_Atom_Count	18
559799	Tautomer_Count	1
955	Undefined_Atom_Stereo_Count	0
76973294	Undefined_Atom_Stereo_Count	6
6828	Isotope_Atom_Count	0
12732	Molecular_Weight	82.14
56929	Undefined_Bond_Stereo_Count	0
61247	Molecular_Weight	102.17
28563239	Molecular_Weight	99.13
3939	Total_Formal_Charge	0
796857	Undefined_Bond_Stereo_Count	0
2159	Molecular_Weight	369.5
54880	Tautomer_Count	1
15940193	Non-hydrogen_Atom_Count	22
54569511	Undefined_Bond_Stereo_Count	0
10138260	TPSA	107
10492	Isotope_Atom_Count	0
719704	Hydrogen_Bond_Acceptor_Count	3
4180	Non-hydrogen_Atom_Count	17
61370	Undefined_Bond_Stereo_Count	1
4878	Molecular_Weight	301.77
164330	Exact_Mass	1397.576390
11199	Defined_Atom_Stereo_Count	0
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27423	Hydrogen_Bond_Donor_Count	0
199605	Defined_Atom_Stereo_Count	1
42863	Isotope_Atom_Count	0
159324	Tautomer_Count	1
448223	Undefined_Atom_Stereo_Count	0
521280	Defined_Bond_Stereo_Count	0
46889118	Molecular_Weight	281.31
76262	Covalent_Unit_Count	1
3080714	Undefined_Atom_Stereo_Count	0
45934498	Structure_Complexity	508
1282	Covalent_Unit_Count	1
359784	Undefined_Atom_Stereo_Count	0
135771852	Defined_Atom_Stereo_Count	4
34328	Covalent_Unit_Count	1
155346	Hydrogen_Bond_Acceptor_Count	4
5367564	Hydrogen_Bond_Donor_Count	0
25015695	Covalent_Unit_Count	1
72926	Structure_Complexity	215
45257	Undefined_Atom_Stereo_Count	1
8877	Structure_Complexity	228
3366298	Undefined_Atom_Stereo_Count	0
12007564	Structure_Complexity	149
101001097	Covalent_Unit_Count	1
6918427	Tautomer_Count	10
53918	Defined_Bond_Stereo_Count	0
34665	Hydrogen_Bond_Acceptor_Count	5
229126	Defined_Bond_Stereo_Count	0
14920524	Structure_Complexity	94.4
23080868	Mono_Isotopic_Weight	111.068413911
6453781	Covalent_Unit_Count	1
520769	Mono_Isotopic_Weight	112.01359920
86138	XLogP3	3.2
11705141	XLogP3-AA	4.5
5280460	Isotope_Atom_Count	0
12993143	Exact_Mass	100.100048391
67239	Hydrogen_Bond_Donor_Count	2
158524	Exact_Mass	280.240230259
1564	Molecular_Weight	265.71
9589	Rotatable_Bond_Count	1
51081	Molecular_Weight	333.36
9939594	TPSA	231
11830	Hydrogen_Bond_Acceptor_Count	3
735940	Hydrogen_Bond_Acceptor_Count	2
192706	Hydrogen_Bond_Donor_Count	1
20472042	Exact_Mass	140.047344113
40466858	Hydrogen_Bond_Donor_Count	1
91497	TPSA	9.2
11363176	Molecular_Weight	461.0
803776	TPSA	12.5
217634	Total_Formal_Charge	0
9963516	TPSA	60.7
94625	Hydrogen_Bond_Donor_Count	0
37264	Undefined_Atom_Stereo_Count	0
9908783	Undefined_Bond_Stereo_Count	0
13042808	Non-hydrogen_Atom_Count	7
10347	Molecular_Weight	200.10
24424	Isotope_Atom_Count	0
99915	Exact_Mass	210.115698455
66532	Rotatable_Bond_Count	1
19687	Undefined_Atom_Stereo_Count	0
16682839	Defined_Bond_Stereo_Count	0
9884817	Non-hydrogen_Atom_Count	25
45738	TPSA	9.2
443881	Isotope_Atom_Count	0
6224	TPSA	141
7303	Hydrogen_Bond_Donor_Count	0
5281801	Mono_Isotopic_Weight	286.04773803
7417	Structure_Complexity	133
85805628	Isotope_Atom_Count	0
7012	Structure_Complexity	148
11916	Rotatable_Bond_Count	1
123164	Exact_Mass	14.0156500638
726944	Undefined_Bond_Stereo_Count	0
71141	Non-hydrogen_Atom_Count	33
227541	TPSA	51.8
9872634	Covalent_Unit_Count	1
165074	TPSA	0
16220011	Hydrogen_Bond_Donor_Count	1
98488	Defined_Atom_Stereo_Count	0
13981	Defined_Atom_Stereo_Count	0
67254077	Undefined_Atom_Stereo_Count	0
443314	Molecular_Weight	522.7
24462	TPSA	88.6
82095	Rotatable_Bond_Count	0
5359853	Defined_Atom_Stereo_Count	0
20158038	Defined_Bond_Stereo_Count	0
95170	Defined_Bond_Stereo_Count	0
87390140	Hydrogen_Bond_Donor_Count	1
608	Exact_Mass	178.04773803
1234	Exact_Mass	484.29372238
2734687	Structure_Complexity	41.6
441245	Structure_Complexity	197
20688852	Hydrogen_Bond_Acceptor_Count	2
65798	Non-hydrogen_Atom_Count	33
12842606	Hydrogen_Bond_Acceptor_Count	2
12707110	Mono_Isotopic_Weight	85.052763847
63346	Molecular_Weight	350.4
71857	Exact_Mass	375.15426879
9908783	Molecular_Weight	397.4
490	Exact_Mass	123.99254563
7790	XLogP3-AA	2.4
126968498	Molecular_Weight	835.1
101883476	Mono_Isotopic_Weight	364.22497412
43082	TPSA	12.5
123751374	XLogP3-AA	7.5
9920369	Isotope_Atom_Count	0
117963	Structure_Complexity	321
165892084	Defined_Bond_Stereo_Count	0
96929	Exact_Mass	217.110278721
66577114	Molecular_Weight	852.8
77445309	Mono_Isotopic_Weight	114.104465066
66251	Molecular_Weight	465.0
6610292	Structure_Complexity	568
12927948	Total_Formal_Charge	0
134688323	Hydrogen_Bond_Acceptor_Count	5
23729666	Hydrogen_Bond_Acceptor_Count	2
6437071	Defined_Bond_Stereo_Count	1
413540	Hydrogen_Bond_Donor_Count	0
3242895	Exact_Mass	374.22055744
68527	Covalent_Unit_Count	1
5370481	TPSA	74.6
18730068	Undefined_Bond_Stereo_Count	0
43262	Undefined_Atom_Stereo_Count	1
22475863	TPSA	32.3
9795291	Molecular_Weight	265.33
71024610	Exact_Mass	342.11621151
11296583	Rotatable_Bond_Count	7
71312117	Molecular_Weight	393.5
2634	Exact_Mass	544.99158054
4009	Structure_Complexity	783
70693550	Covalent_Unit_Count	1
443366	Undefined_Atom_Stereo_Count	1
7619	Non-hydrogen_Atom_Count	16
573553	Hydrogen_Bond_Donor_Count	2
14020430	XLogP3-AA	0.4
398747	TPSA	182
54675840	Hydrogen_Bond_Donor_Count	2
57398253	Undefined_Atom_Stereo_Count	0
118437609	TPSA	41.6
6603697	Covalent_Unit_Count	1
12215992	Non-hydrogen_Atom_Count	8
6649	Structure_Complexity	516
2756808	Rotatable_Bond_Count	2
64139	Exact_Mass	315.0273907
5878	Molecular_Weight	306.4
7673	Undefined_Bond_Stereo_Count	0
60937	Total_Formal_Charge	0
75534859	Covalent_Unit_Count	1
23585071	Covalent_Unit_Count	1
57345537	XLogP3-AA	1.6
19165	Hydrogen_Bond_Donor_Count	0
23532160	Hydrogen_Bond_Donor_Count	1
136920818	Defined_Bond_Stereo_Count	0
141103237	Undefined_Atom_Stereo_Count	2
747268	Rotatable_Bond_Count	3
97535	Defined_Bond_Stereo_Count	0
122903	Isotope_Atom_Count	0
4607	Defined_Atom_Stereo_Count	0
86488	Hydrogen_Bond_Donor_Count	2
20198094	Undefined_Atom_Stereo_Count	2
23681559	TPSA	72.8
10176084	Isotope_Atom_Count	0
54136224	Molecular_Weight	108.10
5702236	Defined_Atom_Stereo_Count	0
28140	Defined_Atom_Stereo_Count	0
70807	TPSA	75.2
9574343	Covalent_Unit_Count	1
11560610	Isotope_Atom_Count	0
111206	XLogP3-AA	1.4
12355883	Hydrogen_Bond_Acceptor_Count	8
4042	Hydrogen_Bond_Donor_Count	0
61718	Hydrogen_Bond_Donor_Count	0
53	Total_Formal_Charge	0
12899069	Covalent_Unit_Count	1
66022	Mono_Isotopic_Weight	269.308250248
46257	Tautomer_Count	1
11675994	Covalent_Unit_Count	1
11081093	Isotope_Atom_Count	0
48783	Exact_Mass	210.10044231
433294	Undefined_Atom_Stereo_Count	0
1815	Molecular_Weight	417.28
11500273	Rotatable_Bond_Count	5
118176200	XLogP3-AA	0.1
123769339	Exact_Mass	100.100048391
1177	Non-hydrogen_Atom_Count	17
10307909	Non-hydrogen_Atom_Count	14
10255482	Undefined_Atom_Stereo_Count	0
6914821	Covalent_Unit_Count	1
9319	XLogP3-AA	6
57396149	Hydrogen_Bond_Donor_Count	2
13804	Exact_Mass	488.10733165
124886	Hydrogen_Bond_Donor_Count	6
10297065	Non-hydrogen_Atom_Count	30
23679632	Hydrogen_Bond_Donor_Count	1
154983	Tautomer_Count	1
118988145	Total_Formal_Charge	0
156592279	Defined_Bond_Stereo_Count	1
3092	Total_Formal_Charge	0
27808	Tautomer_Count	3
23662025	Tautomer_Count	9
95763	Mono_Isotopic_Weight	245.0065981
9862	Hydrogen_Bond_Acceptor_Count	1
13242839	Total_Formal_Charge	0
90643	Hydrogen_Bond_Acceptor_Count	0
60150204	Covalent_Unit_Count	1
77548	XLogP3	2.6
446845	Hydrogen_Bond_Acceptor_Count	5
20250	Non-hydrogen_Atom_Count	12
3696	Tautomer_Count	9
306	Mono_Isotopic_Weight	226.04773803
10405318	Undefined_Atom_Stereo_Count	0
5497174	Isotope_Atom_Count	0
12589	Non-hydrogen_Atom_Count	9
4520	XLogP3-AA	0.1
12304	Total_Formal_Charge	0
5284572	Structure_Complexity	1520
87490405	Non-hydrogen_Atom_Count	8
18923031	Total_Formal_Charge	0
255680	Exact_Mass	191.058243149
6420	Tautomer_Count	1
5702279	Non-hydrogen_Atom_Count	36
3032361	Hydrogen_Bond_Acceptor_Count	2
74802	Covalent_Unit_Count	1
24891699	TPSA	80.2
53264	Undefined_Atom_Stereo_Count	0
98790	Non-hydrogen_Atom_Count	14
143047391	Mono_Isotopic_Weight	87.068413911
66296	Defined_Bond_Stereo_Count	0
53077	TPSA	23.5
69161653	Mono_Isotopic_Weight	111.068413911
54679224	Mono_Isotopic_Weight	144.9930561
90192	Rotatable_Bond_Count	11
188141	Tautomer_Count	2
142959	Hydrogen_Bond_Acceptor_Count	4
11527661	Non-hydrogen_Atom_Count	37
19309	Tautomer_Count	7
9917968	Tautomer_Count	1
22081700	Hydrogen_Bond_Donor_Count	1
57642398	Non-hydrogen_Atom_Count	7
20387201	Exact_Mass	113.120449483
25422	Defined_Atom_Stereo_Count	0
55291451	Isotope_Atom_Count	0
76241	Undefined_Bond_Stereo_Count	0
18075	Exact_Mass	210.079312947
5490846	XLogP3-AA	2
13275542	XLogP3-AA	0.6
87017	Defined_Atom_Stereo_Count	0
92879	Exact_Mass	378.12494298
443111	Total_Formal_Charge	0
131714458	Mono_Isotopic_Weight	395.03581088
9563	Undefined_Atom_Stereo_Count	5
20798615	Total_Formal_Charge	0
72157	Exact_Mass	266.07251349
19160	Non-hydrogen_Atom_Count	7
32803	XLogP3-AA	0.6
6432434	Defined_Bond_Stereo_Count	1
5356392	Hydrogen_Bond_Acceptor_Count	16
24648	Isotope_Atom_Count	0
11526696	Hydrogen_Bond_Donor_Count	3
135402009	Defined_Atom_Stereo_Count	0
4144353	Hydrogen_Bond_Acceptor_Count	4
9874175	TPSA	123
9802542	Total_Formal_Charge	0
4162	TPSA	46.2
38089	Non-hydrogen_Atom_Count	21
15561101	TPSA	56
522731	Defined_Atom_Stereo_Count	0
14459508	Total_Formal_Charge	0
30053	Hydrogen_Bond_Donor_Count	1
533854	Hydrogen_Bond_Donor_Count	1
25262965	Hydrogen_Bond_Donor_Count	1
136437	Non-hydrogen_Atom_Count	4
6093	Undefined_Atom_Stereo_Count	0
688009	Defined_Atom_Stereo_Count	2
70696694	Mono_Isotopic_Weight	380.13069707
398741	Exact_Mass	237.08406
4113127	Hydrogen_Bond_Donor_Count	3
57560	Defined_Atom_Stereo_Count	0
20417	Non-hydrogen_Atom_Count	8
91129494	XLogP3-AA	1.1
5364328	Structure_Complexity	102
249332	TPSA	254
122232532	Rotatable_Bond_Count	26
5360487	Defined_Bond_Stereo_Count	0
70250408	Tautomer_Count	2
8259	Hydrogen_Bond_Acceptor_Count	1
75372	TPSA	9.2
90998196	Defined_Atom_Stereo_Count	0
44144	Structure_Complexity	619
31365	Undefined_Atom_Stereo_Count	2
21896651	Molecular_Weight	1526.5
31060	Exact_Mass	409.0847635
440966	Structure_Complexity	177
145454105	Defined_Atom_Stereo_Count	3
25127112	Defined_Bond_Stereo_Count	0
71449859	Covalent_Unit_Count	1
1245	Covalent_Unit_Count	1
13347991	Exact_Mass	108.093900383
3323161	Isotope_Atom_Count	0
16211948	Isotope_Atom_Count	0
2883813	Exact_Mass	299.11575802
72849	Molecular_Weight	307.2
11688573	Hydrogen_Bond_Acceptor_Count	4
2737403	Isotope_Atom_Count	0
72187569	Non-hydrogen_Atom_Count	23
179822	Tautomer_Count	1
56927690	Hydrogen_Bond_Donor_Count	6
9831659	Non-hydrogen_Atom_Count	52
60698	Undefined_Bond_Stereo_Count	0
44590515	Mono_Isotopic_Weight	500.19587943
10251906	XLogP3-AA	3.8
520540	Undefined_Bond_Stereo_Count	0
46073	XLogP3-AA	1
12316	Tautomer_Count	1
23675746	Molecular_Weight	352.4
24848360	Exact_Mass	297.14254485
131634423	Molecular_Weight	395.3
3035817	XLogP3-AA	2.8
66827369	Structure_Complexity	72.2
126977538	Mono_Isotopic_Weight	112.052429494
22061626	Covalent_Unit_Count	1
3151	Mono_Isotopic_Weight	425.1618527
443939	Isotope_Atom_Count	0
13562	Undefined_Bond_Stereo_Count	0
524270	Defined_Bond_Stereo_Count	0
140287425	Hydrogen_Bond_Acceptor_Count	1
11538455	TPSA	95.3
339079	Undefined_Atom_Stereo_Count	0
9143	Mono_Isotopic_Weight	202.078250319
54173839	Non-hydrogen_Atom_Count	7
8413	TPSA	52
5280450	Total_Formal_Charge	0
84693	XLogP3-AA	1.6
156614100	Defined_Atom_Stereo_Count	0
53325997	Structure_Complexity	695
46207586	Undefined_Bond_Stereo_Count	0
19957820	XLogP3-AA	0.8
24750	Tautomer_Count	1
71719268	XLogP3-AA	4.5
31200	Non-hydrogen_Atom_Count	17
65407	TPSA	185
11073371	Undefined_Bond_Stereo_Count	0
44338587	Covalent_Unit_Count	1
443003	Defined_Atom_Stereo_Count	2
4913243	Covalent_Unit_Count	1
85867	Molecular_Weight	308.42
74440	Defined_Bond_Stereo_Count	0
57174031	Exact_Mass	284.152477885
688044	Hydrogen_Bond_Acceptor_Count	2
22206	XLogP3	3.1
5275508	Total_Formal_Charge	0
49783923	Defined_Atom_Stereo_Count	2
6875624	TPSA	78.4
24832091	Non-hydrogen_Atom_Count	31
44112	Defined_Bond_Stereo_Count	0
24214097	Total_Formal_Charge	0
12659781	Exact_Mass	84.057514874
3035905	Hydrogen_Bond_Acceptor_Count	2
36584	Rotatable_Bond_Count	5
2778339	Hydrogen_Bond_Donor_Count	0
1095	Mono_Isotopic_Weight	254.01915430
5463911	Isotope_Atom_Count	0
28166	Total_Formal_Charge	0
15166013	Covalent_Unit_Count	1
4720	Defined_Bond_Stereo_Count	0
87187801	TPSA	9.2
11908450	Total_Formal_Charge	0
137207	Covalent_Unit_Count	1
51055169	Hydrogen_Bond_Donor_Count	3
5362119	Hydrogen_Bond_Acceptor_Count	7
20259182	Isotope_Atom_Count	0
62773515	Mono_Isotopic_Weight	114.068079557
30667	Hydrogen_Bond_Acceptor_Count	2
242436	Undefined_Atom_Stereo_Count	0
201749	Mono_Isotopic_Weight	266.16304257
8073	TPSA	26.3
57254473	Hydrogen_Bond_Donor_Count	0
276561	XLogP3-AA	0.9
20265292	TPSA	40.5
13651	Undefined_Bond_Stereo_Count	0
40466858	Rotatable_Bond_Count	5
13140652	Isotope_Atom_Count	0
78137800	Hydrogen_Bond_Acceptor_Count	2
444764	Exact_Mass	209.03242232
163962080	Covalent_Unit_Count	1
21679899	TPSA	9.2
146280151	Non-hydrogen_Atom_Count	8
6437065	Covalent_Unit_Count	2
51026956	Non-hydrogen_Atom_Count	22
16197727	Non-hydrogen_Atom_Count	118
76224463	Rotatable_Bond_Count	1
7471	Exact_Mass	135.104799419
101882533	XLogP3-AA	2.7
61908225	Undefined_Atom_Stereo_Count	1
7210	Total_Formal_Charge	0
633526	TPSA	27.7
73110	Mono_Isotopic_Weight	569.0756554
69262871	Undefined_Atom_Stereo_Count	0
87112	TPSA	43.4
90937445	Molecular_Weight	905.0
55397	Undefined_Atom_Stereo_Count	0
155288862	Structure_Complexity	401
65776	Hydrogen_Bond_Acceptor_Count	3
37427	Tautomer_Count	1
53481477	Hydrogen_Bond_Acceptor_Count	5
15174929	XLogP3	1.2
85769	Total_Formal_Charge	0
70452	Mono_Isotopic_Weight	87.104799419
96807	Hydrogen_Bond_Donor_Count	1
9942657	Defined_Atom_Stereo_Count	0
58460742	Defined_Bond_Stereo_Count	0
14200857	Hydrogen_Bond_Donor_Count	0
82129	Covalent_Unit_Count	1
13284157	Non-hydrogen_Atom_Count	8
10267	Structure_Complexity	428
44571147	TPSA	74.5
11636326	Structure_Complexity	606
84063996	Mono_Isotopic_Weight	116.083729621
10493	TPSA	132
57395178	Hydrogen_Bond_Donor_Count	0
73425700	Defined_Atom_Stereo_Count	0
44521017	Defined_Atom_Stereo_Count	0
12546246	Rotatable_Bond_Count	1
61141	Defined_Atom_Stereo_Count	0
16040270	Exact_Mass	194.134502709
12407	Rotatable_Bond_Count	23
33845	Defined_Bond_Stereo_Count	0
55560	Defined_Bond_Stereo_Count	0
59018485	Hydrogen_Bond_Acceptor_Count	1
69293	Defined_Bond_Stereo_Count	0
448812	Tautomer_Count	1000
12244	Undefined_Bond_Stereo_Count	0
9811	Hydrogen_Bond_Acceptor_Count	2
66840	Molecular_Weight	244.04
25227462	Undefined_Bond_Stereo_Count	0
17928	Mono_Isotopic_Weight	243.08954328
15565709	TPSA	50.8
54602908	Total_Formal_Charge	0
118161592	Covalent_Unit_Count	1
104865206	Molecular_Weight	117.15
20517177	Defined_Bond_Stereo_Count	0
73330464	Tautomer_Count	3
516	Structure_Complexity	388
62669683	Structure_Complexity	76.6
85653	Hydrogen_Bond_Donor_Count	0
56677275	Isotope_Atom_Count	0
82593565	Undefined_Atom_Stereo_Count	0
19829701	Defined_Bond_Stereo_Count	0
10934636	Exact_Mass	274.04773803
42609626	Exact_Mass	203.0713064
118451841	Non-hydrogen_Atom_Count	20
7472	Covalent_Unit_Count	1
136750	Defined_Atom_Stereo_Count	0
6553	Mono_Isotopic_Weight	199.88363
5280490	XLogP3	6.2
125134	Hydrogen_Bond_Acceptor_Count	4
23899	Hydrogen_Bond_Donor_Count	0
3017748	Isotope_Atom_Count	0
5282547	Undefined_Bond_Stereo_Count	0
137705128	Covalent_Unit_Count	1
89664	Defined_Bond_Stereo_Count	0
20542700	Structure_Complexity	112
12653319	Molecular_Weight	117.15
10898660	Rotatable_Bond_Count	1
89264894	Hydrogen_Bond_Acceptor_Count	2
6507255	Defined_Atom_Stereo_Count	1
42552662	Non-hydrogen_Atom_Count	23
10920441	Exact_Mass	72.021129366
22226235	Defined_Bond_Stereo_Count	0
163940165	Undefined_Bond_Stereo_Count	0
524640	Isotope_Atom_Count	0
5611	Non-hydrogen_Atom_Count	22
3033825	Rotatable_Bond_Count	3
54418364	Isotope_Atom_Count	0
2808977	Hydrogen_Bond_Donor_Count	1
31132	Total_Formal_Charge	0
14923	Hydrogen_Bond_Donor_Count	2
5155	Non-hydrogen_Atom_Count	16
96402	Hydrogen_Bond_Acceptor_Count	0
13925600	Hydrogen_Bond_Donor_Count	1
71180	Rotatable_Bond_Count	0
813505	TPSA	91.3
6748	Mono_Isotopic_Weight	159.068413911
5424	Hydrogen_Bond_Acceptor_Count	6
26721	Hydrogen_Bond_Acceptor_Count	5
21585056	Hydrogen_Bond_Acceptor_Count	2
44451124	Isotope_Atom_Count	0
527855	Total_Formal_Charge	0
118610865	Total_Formal_Charge	0
57398329	Hydrogen_Bond_Acceptor_Count	9
3533	Undefined_Bond_Stereo_Count	0
12502856	Hydrogen_Bond_Acceptor_Count	1
37901	Defined_Atom_Stereo_Count	0
136920818	Total_Formal_Charge	0
108059	Hydrogen_Bond_Acceptor_Count	4
104677	Mono_Isotopic_Weight	195.01024758
7808	Tautomer_Count	2
57394389	Covalent_Unit_Count	1
12409173	Covalent_Unit_Count	1
58801077	Rotatable_Bond_Count	0
3086618	Rotatable_Bond_Count	7
10231	Isotope_Atom_Count	0
77999	Structure_Complexity	469
51029604	Rotatable_Bond_Count	2
14029615	Defined_Atom_Stereo_Count	1
90766	Structure_Complexity	130
10509	Covalent_Unit_Count	1
25210	Total_Formal_Charge	0
4506	XLogP3	2.2
40818	Molecular_Weight	152.06
5271569	Covalent_Unit_Count	1
12462027	XLogP3-AA	1
55286482	Non-hydrogen_Atom_Count	8
11620055	Defined_Atom_Stereo_Count	0
18831	Molecular_Weight	145.55
91169276	Hydrogen_Bond_Acceptor_Count	3
47198	Hydrogen_Bond_Acceptor_Count	2
403648	Mono_Isotopic_Weight	382.98249
500	Undefined_Atom_Stereo_Count	0
56842796	Defined_Atom_Stereo_Count	5
360901	Structure_Complexity	988
8109	Molecular_Weight	104.15
60848	Total_Formal_Charge	0
1101	Molecular_Weight	180.16
78255	Total_Formal_Charge	0
8229	Isotope_Atom_Count	0
53846420	Defined_Atom_Stereo_Count	6
14679811	Undefined_Bond_Stereo_Count	0
10313118	Defined_Atom_Stereo_Count	0
9866696	Non-hydrogen_Atom_Count	30
152932	Exact_Mass	288.14380491
20695	Rotatable_Bond_Count	0
42317	Exact_Mass	307.15320616
11346811	Hydrogen_Bond_Acceptor_Count	7
535722	XLogP3-AA	0.9
10466809	Mono_Isotopic_Weight	240.11234441
72734332	Undefined_Bond_Stereo_Count	0
42525	Undefined_Bond_Stereo_Count	0
6643	Hydrogen_Bond_Donor_Count	1
10350317	Defined_Bond_Stereo_Count	2
59653	Undefined_Atom_Stereo_Count	3
497698	Hydrogen_Bond_Acceptor_Count	6
6957671	Covalent_Unit_Count	1
11972518	Mono_Isotopic_Weight	1110.57633051
191101	Undefined_Bond_Stereo_Count	0
71517699	Undefined_Atom_Stereo_Count	0
13246222	Tautomer_Count	1
1483	Isotope_Atom_Count	0
103015	Exact_Mass	302.17293854
7504	Covalent_Unit_Count	1
8670	Defined_Bond_Stereo_Count	0
54793	Covalent_Unit_Count	1
3708	Exact_Mass	342.03104260
103079114	Total_Formal_Charge	0
21884954	Isotope_Atom_Count	0
163677749	XLogP3-AA	0.7
5102882	Rotatable_Bond_Count	1
57144446	Total_Formal_Charge	0
129680036	Rotatable_Bond_Count	1
50989726	Mono_Isotopic_Weight	97.089149355
9799518	Hydrogen_Bond_Acceptor_Count	3
124504488	Structure_Complexity	382
77690	Defined_Bond_Stereo_Count	0
5748217	Non-hydrogen_Atom_Count	33
476	Non-hydrogen_Atom_Count	14
90227	Non-hydrogen_Atom_Count	27
107807	Structure_Complexity	524
5280343	Total_Formal_Charge	0
8084	Defined_Bond_Stereo_Count	0
449424	Mono_Isotopic_Weight	361.16108550
2226	Covalent_Unit_Count	1
53677316	Defined_Bond_Stereo_Count	0
84440	Isotope_Atom_Count	0
66545742	Undefined_Atom_Stereo_Count	0
12235161	Molecular_Weight	193.28
4495	TPSA	110
5284537	XLogP3-AA	3.1
10236	Undefined_Bond_Stereo_Count	0
154655788	Structure_Complexity	103
547676	Non-hydrogen_Atom_Count	7
5499	Defined_Atom_Stereo_Count	0
8998	Mono_Isotopic_Weight	122.05790880
39230	Undefined_Bond_Stereo_Count	0
57131886	Structure_Complexity	84.4
39468	Mono_Isotopic_Weight	291.18344366
91486	Mono_Isotopic_Weight	301.298079487
6475	Undefined_Bond_Stereo_Count	0
18730058	Covalent_Unit_Count	1
5364919	Hydrogen_Bond_Acceptor_Count	1
68094	Hydrogen_Bond_Acceptor_Count	3
6420130	Defined_Atom_Stereo_Count	2
52946209	Structure_Complexity	374
7647	Mono_Isotopic_Weight	182.109550447
6321432	Mono_Isotopic_Weight	645.23224432
107973	Rotatable_Bond_Count	5
135498233	Exact_Mass	165.02867436
9693	Rotatable_Bond_Count	4
6433101	XLogP3-AA	4.5
6920223	Exact_Mass	122.024203370
138062	Undefined_Bond_Stereo_Count	0
233208	Mono_Isotopic_Weight	85.052763847
2054	Isotope_Atom_Count	0
123690360	Defined_Atom_Stereo_Count	0
138076	Covalent_Unit_Count	1
403924	XLogP3-AA	4.2
12120	Structure_Complexity	95.3
57249823	Hydrogen_Bond_Donor_Count	0
69016240	Hydrogen_Bond_Donor_Count	3
3727	Total_Formal_Charge	0
57390796	Undefined_Bond_Stereo_Count	0
5103	Covalent_Unit_Count	1
60196352	Undefined_Bond_Stereo_Count	0
6481	Molecular_Weight	244.37
117186636	Covalent_Unit_Count	1
92249	Molecular_Weight	175.18
11850899	Covalent_Unit_Count	1
2797	Molecular_Weight	214.64
14366842	Mono_Isotopic_Weight	104.094963011
13969	Mono_Isotopic_Weight	324.16852187
84733	Total_Formal_Charge	0
146682056	Undefined_Bond_Stereo_Count	0
13889162	Defined_Atom_Stereo_Count	0
67541	Structure_Complexity	263
12229396	Isotope_Atom_Count	0
57784275	Total_Formal_Charge	0
4115	Molecular_Weight	345.6
91851108	Total_Formal_Charge	0
6469	Undefined_Bond_Stereo_Count	0
9953	Rotatable_Bond_Count	3
23675321	Total_Formal_Charge	0
89055	Isotope_Atom_Count	0
90173	Total_Formal_Charge	0
123208701	Mono_Isotopic_Weight	99.104799419
19778484	Molecular_Weight	112.13
76968505	Non-hydrogen_Atom_Count	23
3425	XLogP3-AA	2.2
74089	Non-hydrogen_Atom_Count	8
76497	Defined_Bond_Stereo_Count	0
13531445	Undefined_Bond_Stereo_Count	0
18357	Mono_Isotopic_Weight	195.068413911
5284579	Isotope_Atom_Count	0
688095	Total_Formal_Charge	0
162246	XLogP3-AA	4.7
551296	Mono_Isotopic_Weight	114.104465066
9985199	XLogP3-AA	4.1
9924495	Defined_Atom_Stereo_Count	0
444698	Mono_Isotopic_Weight	393.10347926
13619723	TPSA	12
72199381	Defined_Bond_Stereo_Count	0
503760	Isotope_Atom_Count	0
81864	Non-hydrogen_Atom_Count	8
6392641	Structure_Complexity	697
20081031	Hydrogen_Bond_Acceptor_Count	5
46304	Defined_Atom_Stereo_Count	0
12209629	Exact_Mass	127.099714038
977	Rotatable_Bond_Count	0
2781343	Isotope_Atom_Count	0
23670770	Tautomer_Count	2
45488113	TPSA	58.7
6186	Undefined_Bond_Stereo_Count	0
295763	Hydrogen_Bond_Acceptor_Count	3
4244	Rotatable_Bond_Count	9
24096961	Tautomer_Count	1
34755	Isotope_Atom_Count	0
26929	Hydrogen_Bond_Acceptor_Count	4
58028426	Exact_Mass	112.027277375
105427064	Mono_Isotopic_Weight	116.047344113
12732837	Structure_Complexity	162
78225435	Isotope_Atom_Count	0
123664524	Covalent_Unit_Count	1
65718	Total_Formal_Charge	0
123291798	Covalent_Unit_Count	1
4231972	Defined_Atom_Stereo_Count	0
53826440	Covalent_Unit_Count	1
83678852	Hydrogen_Bond_Acceptor_Count	4
9869877	Undefined_Atom_Stereo_Count	0
25201827	Structure_Complexity	329
24883735	Mono_Isotopic_Weight	408.28757437
49865495	Exact_Mass	305.116426730
70141017	Rotatable_Bond_Count	0
65105	XLogP3-AA	0.9
20790054	Defined_Atom_Stereo_Count	0
132575067	Non-hydrogen_Atom_Count	20
21943994	TPSA	185
5543	Non-hydrogen_Atom_Count	16
78408892	XLogP3-AA	0.1
12320138	Hydrogen_Bond_Acceptor_Count	2
57773	Rotatable_Bond_Count	5
22349965	Undefined_Bond_Stereo_Count	0
6119	Undefined_Atom_Stereo_Count	0
59859430	Non-hydrogen_Atom_Count	23
143745299	Non-hydrogen_Atom_Count	7
90921336	Tautomer_Count	2
34295	Molecular_Weight	112.19
130025741	Rotatable_Bond_Count	2
31425	Defined_Atom_Stereo_Count	0
5205	Exact_Mass	261.151749610
99010	Isotope_Atom_Count	0
129846269	Hydrogen_Bond_Donor_Count	1
91566861	Total_Formal_Charge	0
50990560	Hydrogen_Bond_Donor_Count	4
143342009	Hydrogen_Bond_Acceptor_Count	1
15475284	Total_Formal_Charge	0
153627081	Structure_Complexity	70.1
45238	Molecular_Weight	289.4
21953621	Mono_Isotopic_Weight	316.09468823
84068	Undefined_Atom_Stereo_Count	19
903738	Isotope_Atom_Count	0
23665874	Non-hydrogen_Atom_Count	17
79865794	Exact_Mass	112.088815002
65905	Structure_Complexity	333
66265	Mono_Isotopic_Weight	231.12348400
23615430	Hydrogen_Bond_Acceptor_Count	5
1240	Rotatable_Bond_Count	6
60199965	Rotatable_Bond_Count	6
62267	Non-hydrogen_Atom_Count	15
10044792	Molecular_Weight	372.4
65014	Defined_Atom_Stereo_Count	0
4913256	Rotatable_Bond_Count	2
172717	Undefined_Bond_Stereo_Count	0
135398501	Total_Formal_Charge	0
59122	Structure_Complexity	863
2777165	XLogP3-AA	0.5
19425	Mono_Isotopic_Weight	80.037448136
58195	Non-hydrogen_Atom_Count	26
7572	Rotatable_Bond_Count	4
23189	Structure_Complexity	257
13889162	Molecular_Weight	354.35
192925	Isotope_Atom_Count	0
19829703	Structure_Complexity	78.9
220272	Tautomer_Count	7
3162	Mono_Isotopic_Weight	270.173213330
42626680	Mono_Isotopic_Weight	180.06338810
28102	Non-hydrogen_Atom_Count	23
60752	Total_Formal_Charge	0
6723	Isotope_Atom_Count	0
638019	Mono_Isotopic_Weight	386.354866087
15830	Molecular_Weight	139.15
6492	Undefined_Atom_Stereo_Count	4
134160331	Rotatable_Bond_Count	12
3392711	Undefined_Atom_Stereo_Count	0
22932	Molecular_Weight	390.6
119097554	Hydrogen_Bond_Acceptor_Count	1
91746625	Mono_Isotopic_Weight	386.264106985
70032924	Covalent_Unit_Count	1
46783403	Molecular_Weight	785.9
54680692	Defined_Bond_Stereo_Count	0
21251781	Mono_Isotopic_Weight	113.047678466
97740	Non-hydrogen_Atom_Count	16
7691	Undefined_Atom_Stereo_Count	0
87171	Defined_Atom_Stereo_Count	0
5320547	Mono_Isotopic_Weight	296.307915895
25203400	Mono_Isotopic_Weight	136.112624451
30215	Defined_Atom_Stereo_Count	0
6477715	Rotatable_Bond_Count	7
435360	Covalent_Unit_Count	1
91465979	Hydrogen_Bond_Acceptor_Count	3
59281	Isotope_Atom_Count	0
68289	Rotatable_Bond_Count	0
99010	XLogP3-AA	2.5
135418373	Defined_Bond_Stereo_Count	0
14768	Structure_Complexity	26.3
26955	Exact_Mass	192.151415257
14045176	Undefined_Atom_Stereo_Count	0
61235	Molecular_Weight	142.24
4469994	Covalent_Unit_Count	1
5360696	Molecular_Weight	271.4
291	Molecular_Weight	489.33
123962351	TPSA	0
2320	Isotope_Atom_Count	0
51092	Total_Formal_Charge	0
5360487	Exact_Mass	420.09575085
1640	Hydrogen_Bond_Acceptor_Count	2
137849	TPSA	17.1
12289749	Defined_Atom_Stereo_Count	0
77290	Defined_Atom_Stereo_Count	0
76745	Hydrogen_Bond_Acceptor_Count	9
88929423	XLogP3-AA	1.5
23305305	Defined_Atom_Stereo_Count	14
46216796	XLogP3-AA	3.8
82593533	Covalent_Unit_Count	1
134797	Non-hydrogen_Atom_Count	10
132274874	Total_Formal_Charge	0
657251	Exact_Mass	388.0987820
595926	Hydrogen_Bond_Acceptor_Count	1
46916694	Mono_Isotopic_Weight	432.15460314
5838	Rotatable_Bond_Count	2
59704271	TPSA	279
6562	Undefined_Bond_Stereo_Count	0
12933279	TPSA	41.1
25199807	Mono_Isotopic_Weight	264.034001
21711104	Structure_Complexity	92.4
518964	Rotatable_Bond_Count	0
130611	Molecular_Weight	232.19
136892	Defined_Atom_Stereo_Count	0
6537505	Tautomer_Count	1
46936572	XLogP3-AA	2
101513786	TPSA	110
345367	Non-hydrogen_Atom_Count	8
148119	Covalent_Unit_Count	1
6433107	Isotope_Atom_Count	0
16161315	Tautomer_Count	1000
64685	Non-hydrogen_Atom_Count	11
5282550	Non-hydrogen_Atom_Count	27
1995	Hydrogen_Bond_Donor_Count	2
11664966	Defined_Bond_Stereo_Count	2
88169351	Exact_Mass	320.07820726
77763	Hydrogen_Bond_Donor_Count	1
46228852	Hydrogen_Bond_Acceptor_Count	7
12351158	Isotope_Atom_Count	0
447835	XLogP3	4.3
36572	Hydrogen_Bond_Acceptor_Count	4
10138980	Structure_Complexity	730
24776140	Undefined_Bond_Stereo_Count	0
15004	Hydrogen_Bond_Acceptor_Count	5
21618092	Exact_Mass	111.104799419
45830	Total_Formal_Charge	0
7436	Covalent_Unit_Count	1
141704	Defined_Bond_Stereo_Count	0
4206565	XLogP3	2.3
6376436	Rotatable_Bond_Count	11
296197	Molecular_Weight	292.33
124584674	Undefined_Atom_Stereo_Count	0
2995	TPSA	15.3
25323	Structure_Complexity	139
132781234	Undefined_Atom_Stereo_Count	0
3219	Hydrogen_Bond_Donor_Count	0
12644711	Non-hydrogen_Atom_Count	6
71583051	Non-hydrogen_Atom_Count	31
5943	Rotatable_Bond_Count	0
1268142	Molecular_Weight	218.33
452521	Rotatable_Bond_Count	10
13691769	Total_Formal_Charge	0
75184787	Exact_Mass	412.15691181
146027509	Hydrogen_Bond_Donor_Count	11
62878	Defined_Bond_Stereo_Count	0
13600041	XLogP3-AA	1.6
5619	TPSA	23.6
162955685	Hydrogen_Bond_Acceptor_Count	11
5329047	Non-hydrogen_Atom_Count	29
25243830	Covalent_Unit_Count	1
91861230	Molecular_Weight	342.30
57521	Defined_Atom_Stereo_Count	0
20821286	XLogP3-AA	0.8
14020433	Hydrogen_Bond_Acceptor_Count	2
102452877	Molecular_Weight	106.16
2539	Covalent_Unit_Count	1
38989055	Rotatable_Bond_Count	6
5231576	Defined_Atom_Stereo_Count	0
5795340	Mono_Isotopic_Weight	331.86837
70691388	Tautomer_Count	1001
231360	Structure_Complexity	81.8
46173802	Non-hydrogen_Atom_Count	36
87815038	Undefined_Atom_Stereo_Count	0
137332389	Mono_Isotopic_Weight	1354.567399
2168	Covalent_Unit_Count	1
12479241	XLogP3-AA	4.2
145562	Non-hydrogen_Atom_Count	4
114801	Mono_Isotopic_Weight	116.083729621
66503	Non-hydrogen_Atom_Count	32
40428945	Undefined_Atom_Stereo_Count	0
3957	Rotatable_Bond_Count	2
151726	Undefined_Bond_Stereo_Count	0
80369	Total_Formal_Charge	0
10645	Total_Formal_Charge	0
2766305	Defined_Bond_Stereo_Count	0
18369938	Total_Formal_Charge	0
16113206	Hydrogen_Bond_Donor_Count	1
10881	Mono_Isotopic_Weight	106.041864811
67962	Defined_Atom_Stereo_Count	0
7091	Structure_Complexity	140
6332110	Defined_Atom_Stereo_Count	0
584	Defined_Atom_Stereo_Count	0
65474	Mono_Isotopic_Weight	338.1583477
120081	TPSA	76.7
156599239	Hydrogen_Bond_Acceptor_Count	3
90485	Mono_Isotopic_Weight	206.094294304
12242815	Hydrogen_Bond_Acceptor_Count	1
16080117	Covalent_Unit_Count	1
130666299	Defined_Atom_Stereo_Count	0
22675	XLogP3-AA	4.1
31336	Mono_Isotopic_Weight	352.0713660
267	Isotope_Atom_Count	0
24732	Undefined_Bond_Stereo_Count	0
16722116	Covalent_Unit_Count	2
6603901	Defined_Atom_Stereo_Count	0
93083	Hydrogen_Bond_Acceptor_Count	2
136037280	Covalent_Unit_Count	1
19352068	Total_Formal_Charge	0
30175	Rotatable_Bond_Count	1
6997	Isotope_Atom_Count	0
5462951	XLogP3-AA	2.9
15024257	Isotope_Atom_Count	0
5462355	Total_Formal_Charge	0
23876	Total_Formal_Charge	0
12546243	Rotatable_Bond_Count	0
1629	Undefined_Bond_Stereo_Count	0
82191	Non-hydrogen_Atom_Count	8
12532405	Rotatable_Bond_Count	0
143051390	Rotatable_Bond_Count	2
15335183	Hydrogen_Bond_Acceptor_Count	2
11697676	XLogP3-AA	4.2
135546482	Covalent_Unit_Count	1
2724048	TPSA	49.4
439782	Structure_Complexity	216
124224929	Undefined_Atom_Stereo_Count	0
8154	Structure_Complexity	181
484651	Defined_Atom_Stereo_Count	0
93463	Covalent_Unit_Count	1
4983738	Defined_Atom_Stereo_Count	0
60155367	Exact_Mass	385.21138974
19212	Defined_Atom_Stereo_Count	10
1315	Defined_Bond_Stereo_Count	0
61124202	Undefined_Atom_Stereo_Count	1
79946	Isotope_Atom_Count	0
3694035	Covalent_Unit_Count	1
2734227	Isotope_Atom_Count	0
213145	XLogP3-AA	0.6
6115	Isotope_Atom_Count	0
71648	Undefined_Atom_Stereo_Count	0
656557	TPSA	236
14676	Hydrogen_Bond_Donor_Count	1
121207368	Hydrogen_Bond_Acceptor_Count	1
12921732	Hydrogen_Bond_Donor_Count	0
10196758	Covalent_Unit_Count	1
13573327	Hydrogen_Bond_Acceptor_Count	0
5461103	Molecular_Weight	273.28
10701796	Rotatable_Bond_Count	1
4103	Mono_Isotopic_Weight	380.10420754
14476155	Structure_Complexity	535
5323976	TPSA	41.9
13968540	Hydrogen_Bond_Donor_Count	0
12397138	Exact_Mass	98.073164938
2958	Tautomer_Count	54
20722796	Undefined_Atom_Stereo_Count	0
122214878	Isotope_Atom_Count	0
94242	Exact_Mass	152.0392780
363	Undefined_Bond_Stereo_Count	0
60975	Undefined_Atom_Stereo_Count	1
11218470	Hydrogen_Bond_Acceptor_Count	3
58095461	Non-hydrogen_Atom_Count	7
11374	Non-hydrogen_Atom_Count	11
436515	Covalent_Unit_Count	1
24849134	Undefined_Bond_Stereo_Count	0
88977	Non-hydrogen_Atom_Count	23
10784	Undefined_Bond_Stereo_Count	0
129815925	Exact_Mass	96.068748264
123659755	Undefined_Bond_Stereo_Count	0
9980241	Tautomer_Count	6
27123	Exact_Mass	444.25118886
50993881	Hydrogen_Bond_Donor_Count	3
578334	Undefined_Atom_Stereo_Count	0
12394645	Non-hydrogen_Atom_Count	8
31075	Non-hydrogen_Atom_Count	22
66487	Hydrogen_Bond_Acceptor_Count	5
9869929	Structure_Complexity	642
98615047	Hydrogen_Bond_Donor_Count	0
19704592	Rotatable_Bond_Count	0
7526	Undefined_Bond_Stereo_Count	0
141429324	XLogP3-AA	0.5
185915	Undefined_Bond_Stereo_Count	0
11586735	TPSA	54.7
101835694	Mono_Isotopic_Weight	94.078250319
78241	Defined_Bond_Stereo_Count	0
14223	Defined_Bond_Stereo_Count	0
9548889	Defined_Atom_Stereo_Count	0
54036153	Mono_Isotopic_Weight	111.068413911
4633677	Non-hydrogen_Atom_Count	17
185914	Isotope_Atom_Count	0
5281035	Mono_Isotopic_Weight	382.228322906
20827794	Defined_Bond_Stereo_Count	0
550922	Undefined_Bond_Stereo_Count	0
6066	Non-hydrogen_Atom_Count	24
625661	Structure_Complexity	384
132095682	Hydrogen_Bond_Acceptor_Count	3
541483	Hydrogen_Bond_Acceptor_Count	1
84141	Total_Formal_Charge	0
56659408	Undefined_Atom_Stereo_Count	0
153754883	Defined_Bond_Stereo_Count	0
13531445	Hydrogen_Bond_Acceptor_Count	2
11062312	Molecular_Weight	98.14
7375	Defined_Bond_Stereo_Count	0
121596237	Structure_Complexity	165
85608271	Non-hydrogen_Atom_Count	8
142106	Structure_Complexity	124
5318	Undefined_Atom_Stereo_Count	1
71777706	Structure_Complexity	620
6992028	Total_Formal_Charge	0
9808	Undefined_Atom_Stereo_Count	0
14815775	Defined_Bond_Stereo_Count	0
6852406	TPSA	62.3
100930731	Non-hydrogen_Atom_Count	7
32995	Total_Formal_Charge	0
53465849	Molecular_Weight	401.5
817383	Covalent_Unit_Count	1
5281080	Structure_Complexity	1550
57515833	Isotope_Atom_Count	0
11147687	Hydrogen_Bond_Donor_Count	1
91742	Hydrogen_Bond_Donor_Count	1
55105	Non-hydrogen_Atom_Count	17
18345891	Defined_Atom_Stereo_Count	1
20054967	Hydrogen_Bond_Donor_Count	1
56518	Total_Formal_Charge	0
118210311	Undefined_Bond_Stereo_Count	0
129711656	Undefined_Atom_Stereo_Count	0
135398631	Undefined_Bond_Stereo_Count	0
88784945	Defined_Atom_Stereo_Count	0
16401027	Non-hydrogen_Atom_Count	20
58512812	Undefined_Bond_Stereo_Count	0
86231890	Molecular_Weight	110.15
11405875	Defined_Bond_Stereo_Count	0
278	Covalent_Unit_Count	1
137704528	Molecular_Weight	843.1
6946	Hydrogen_Bond_Acceptor_Count	3
20588866	Undefined_Atom_Stereo_Count	0
197148	Undefined_Atom_Stereo_Count	0
71306834	Mono_Isotopic_Weight	744.79416
17700	Defined_Atom_Stereo_Count	0
3037261	Mono_Isotopic_Weight	233.05104977
62705	Structure_Complexity	31
163698895	XLogP3-AA	0
14434921	Total_Formal_Charge	0
128229	Mono_Isotopic_Weight	822.40378589
6196	Structure_Complexity	681
11769408	Rotatable_Bond_Count	4
57465453	XLogP3-AA	1
73238	Defined_Bond_Stereo_Count	0
638071	Molecular_Weight	82.14
970440	Undefined_Bond_Stereo_Count	0
79117667	Hydrogen_Bond_Acceptor_Count	3
13037933	Exact_Mass	1201.84136802
57445154	Rotatable_Bond_Count	2
25014075	Hydrogen_Bond_Acceptor_Count	1
25102937	Hydrogen_Bond_Acceptor_Count	12
11601	Structure_Complexity	29.3
6917715	TPSA	37.3
11116013	Isotope_Atom_Count	0
136585	Hydrogen_Bond_Acceptor_Count	0
6140	Covalent_Unit_Count	1
3263	Defined_Atom_Stereo_Count	0
11187581	Non-hydrogen_Atom_Count	25
7238	Hydrogen_Bond_Acceptor_Count	0
572852	Tautomer_Count	3
123268	Hydrogen_Bond_Acceptor_Count	2
6918026	Total_Formal_Charge	0
71655	Rotatable_Bond_Count	2
151707353	Molecular_Weight	112.13
19927	Hydrogen_Bond_Acceptor_Count	1
53323739	Hydrogen_Bond_Acceptor_Count	4
54011	Molecular_Weight	498.7
5311093	Covalent_Unit_Count	1
126514322	XLogP3-AA	0.2
12870232	Undefined_Atom_Stereo_Count	0
20739	Exact_Mass	142.135765193
83679654	Rotatable_Bond_Count	1
2762838	Tautomer_Count	1
2803	XLogP3	1.6
67451737	Defined_Atom_Stereo_Count	0
10008	Undefined_Bond_Stereo_Count	0
42808	Exact_Mass	155.930033
21864432	Mono_Isotopic_Weight	173.00861288
21792545	Non-hydrogen_Atom_Count	17
5364901	Defined_Bond_Stereo_Count	0
9500	Defined_Bond_Stereo_Count	0
550179	Exact_Mass	250.98639865
16683095	Non-hydrogen_Atom_Count	8
50925625	Defined_Atom_Stereo_Count	1
164075219	Rotatable_Bond_Count	0
76672	Undefined_Atom_Stereo_Count	0
3050432	XLogP3-AA	2.9
52918127	Hydrogen_Bond_Donor_Count	1
16219580	Mono_Isotopic_Weight	180.06338810
25263055	Mono_Isotopic_Weight	237.10010796
151348	Total_Formal_Charge	0
254598	Hydrogen_Bond_Donor_Count	0
139920	Defined_Bond_Stereo_Count	0
4618	Defined_Atom_Stereo_Count	0
88976	Defined_Atom_Stereo_Count	0
15979	XLogP3-AA	9.3
65979	Hydrogen_Bond_Donor_Count	2
60196304	TPSA	138
60335	Hydrogen_Bond_Acceptor_Count	2
969014	Defined_Bond_Stereo_Count	0
47824	Hydrogen_Bond_Acceptor_Count	4
101602	Isotope_Atom_Count	0
6398969	Hydrogen_Bond_Donor_Count	1
98051220	Defined_Atom_Stereo_Count	6
17198	TPSA	55.8
40466996	Undefined_Bond_Stereo_Count	0
11547499	Undefined_Bond_Stereo_Count	0
71310221	Rotatable_Bond_Count	16
6213	Exact_Mass	94.00885060
70647795	Exact_Mass	112.088815002
12872197	Structure_Complexity	96.3
11167602	TPSA	92.4
5288679	TPSA	58.6
49796490	Defined_Bond_Stereo_Count	1
11194	Mono_Isotopic_Weight	98.073164938
643918	Defined_Bond_Stereo_Count	1
67258371	Rotatable_Bond_Count	0
82362	Non-hydrogen_Atom_Count	46
3349	Total_Formal_Charge	0
119097769	XLogP3-AA	0.6
79003661	Non-hydrogen_Atom_Count	8
5352133	Undefined_Bond_Stereo_Count	0
98651	Mono_Isotopic_Weight	413.04128673
443310	Hydrogen_Bond_Donor_Count	4
851033	Undefined_Atom_Stereo_Count	0
9846339	Defined_Atom_Stereo_Count	0
56955933	Total_Formal_Charge	0
2122	Covalent_Unit_Count	1
43899	Undefined_Bond_Stereo_Count	0
8059	Isotope_Atom_Count	0
99049	Defined_Atom_Stereo_Count	0
5485201	Rotatable_Bond_Count	2
18711468	Non-hydrogen_Atom_Count	7
2590	Total_Formal_Charge	0
131460	Undefined_Bond_Stereo_Count	0
57390868	Non-hydrogen_Atom_Count	31
21067	TPSA	44.4
23724878	Mono_Isotopic_Weight	1814.6085580
29179	Structure_Complexity	50.3
11608786	Undefined_Atom_Stereo_Count	0
123963	Defined_Atom_Stereo_Count	0
16735405	TPSA	284
61028	Defined_Bond_Stereo_Count	0
1414	Undefined_Bond_Stereo_Count	3
14765771	Undefined_Atom_Stereo_Count	0
112042	TPSA	35.5
44404640	Covalent_Unit_Count	1
10313382	Undefined_Atom_Stereo_Count	0
81207	Covalent_Unit_Count	1
70991	Structure_Complexity	179
17174	Non-hydrogen_Atom_Count	8
25015694	Non-hydrogen_Atom_Count	36
61103	Hydrogen_Bond_Acceptor_Count	0
19658	Undefined_Bond_Stereo_Count	0
54106053	Total_Formal_Charge	0
62871	Isotope_Atom_Count	0
1730	Hydrogen_Bond_Acceptor_Count	2
372978	Undefined_Bond_Stereo_Count	0
5191	Covalent_Unit_Count	1
15927	Tautomer_Count	1
448002	Hydrogen_Bond_Donor_Count	2
60936	Hydrogen_Bond_Donor_Count	2
129010290	Total_Formal_Charge	0
9901946	TPSA	60.9
5311024	Defined_Bond_Stereo_Count	0
57441855	Structure_Complexity	578
14163	Molecular_Weight	270.37
43234	XLogP3	3.5
11510932	Non-hydrogen_Atom_Count	31
59283	TPSA	41
439501	Hydrogen_Bond_Donor_Count	8
11126230	Defined_Atom_Stereo_Count	0
14528850	Hydrogen_Bond_Donor_Count	1
72871	Non-hydrogen_Atom_Count	13
123178351	Hydrogen_Bond_Acceptor_Count	1
14058558	Hydrogen_Bond_Acceptor_Count	3
129689385	Total_Formal_Charge	0
21955784	Exact_Mass	158.048012819
736	Defined_Bond_Stereo_Count	0
91471800	Undefined_Atom_Stereo_Count	0
13356643	Defined_Bond_Stereo_Count	0
13444041	Non-hydrogen_Atom_Count	8
12096747	XLogP3-AA	3.9
2783	Non-hydrogen_Atom_Count	17
101444	Defined_Bond_Stereo_Count	0
441035	Molecular_Weight	180.16
6327657	Structure_Complexity	207
157365551	Molecular_Weight	284.35
74864	Molecular_Weight	184.21
10937610	Isotope_Atom_Count	0
48288	Covalent_Unit_Count	1
10058	Non-hydrogen_Atom_Count	41
10920542	Isotope_Atom_Count	0
21875354	XLogP3-AA	4.4
14251035	TPSA	35.5
447076	Molecular_Weight	395.5
11969465	Defined_Bond_Stereo_Count	0
91942	XLogP3-AA	1.6
16441	Undefined_Atom_Stereo_Count	1
11789162	Structure_Complexity	116
2170	Rotatable_Bond_Count	1
71783	TPSA	238
13538	Isotope_Atom_Count	0
132850502	Hydrogen_Bond_Donor_Count	2
16212088	Defined_Atom_Stereo_Count	0
44349928	TPSA	62.9
141037332	Molecular_Weight	93.13
3086674	Hydrogen_Bond_Acceptor_Count	4
34549	Covalent_Unit_Count	1
5899	Structure_Complexity	268
909750	Undefined_Atom_Stereo_Count	0
566455	Total_Formal_Charge	0
117683867	Hydrogen_Bond_Donor_Count	11
13032471	Defined_Bond_Stereo_Count	0
41649	Mono_Isotopic_Weight	373.1080858
520352	Isotope_Atom_Count	0
9650	Tautomer_Count	3
18368760	Rotatable_Bond_Count	2
9989226	Defined_Atom_Stereo_Count	0
71312086	Structure_Complexity	432
21859	Structure_Complexity	212
6603320	Total_Formal_Charge	0
221523	Undefined_Atom_Stereo_Count	0
619387	Defined_Bond_Stereo_Count	0
448457	Total_Formal_Charge	0
45116667	Undefined_Atom_Stereo_Count	0
59904077	Defined_Bond_Stereo_Count	0
20685	Non-hydrogen_Atom_Count	24
60155097	Undefined_Bond_Stereo_Count	0
59473233	XLogP3-AA	3.6
13594	Tautomer_Count	5
6046	Non-hydrogen_Atom_Count	8
18624859	Undefined_Atom_Stereo_Count	0
3528	Exact_Mass	670.42333957
91442807	Isotope_Atom_Count	0
16737690	Exact_Mass	646.18213833
10111264	Exact_Mass	394.0832680
11503827	Rotatable_Bond_Count	5
107794	Hydrogen_Bond_Donor_Count	5
5459361	Hydrogen_Bond_Acceptor_Count	11
68696	Defined_Atom_Stereo_Count	0
6518103	Undefined_Bond_Stereo_Count	0
16051	XLogP3-AA	4
9865421	Mono_Isotopic_Weight	394.20049070
60196440	Isotope_Atom_Count	0
4459	Isotope_Atom_Count	0
400182	Defined_Atom_Stereo_Count	0
9585	Hydrogen_Bond_Donor_Count	3
54231313	Rotatable_Bond_Count	0
135391180	Undefined_Atom_Stereo_Count	0
12171	Molecular_Weight	175.05
11286453	Total_Formal_Charge	0
12732836	Defined_Bond_Stereo_Count	0
162246	Structure_Complexity	585
3437714	Defined_Bond_Stereo_Count	0
74764517	Undefined_Bond_Stereo_Count	1
33637	Total_Formal_Charge	0
10784	Defined_Atom_Stereo_Count	0
129881709	Structure_Complexity	203
11161534	Covalent_Unit_Count	1
135529432	Hydrogen_Bond_Donor_Count	3
9823293	Isotope_Atom_Count	0
79314	TPSA	60.2
44119603	Hydrogen_Bond_Acceptor_Count	3
5780	Structure_Complexity	105
57385371	Molecular_Weight	432.9
122517441	Undefined_Bond_Stereo_Count	0
7856	Structure_Complexity	41.2
18620262	Defined_Bond_Stereo_Count	0
136400	Rotatable_Bond_Count	0
52112	Mono_Isotopic_Weight	383.01307
24654	Exact_Mass	50.048012819
99306	XLogP3-AA	6.1
70144	Hydrogen_Bond_Donor_Count	0
22508510	Non-hydrogen_Atom_Count	8
25007064	Defined_Bond_Stereo_Count	0
13427979	Undefined_Atom_Stereo_Count	0
9100	Covalent_Unit_Count	1
26388	Hydrogen_Bond_Acceptor_Count	6
14569053	Total_Formal_Charge	0
71562042	Hydrogen_Bond_Acceptor_Count	9
7526	Defined_Atom_Stereo_Count	0
20081031	TPSA	64.7
6061	TPSA	38
44521023	Molecular_Weight	398.5
5281070	Covalent_Unit_Count	2
15950518	XLogP3-AA	2.2
2265	Total_Formal_Charge	0
468076	Undefined_Bond_Stereo_Count	0
12389	XLogP3	7.2
12094059	Covalent_Unit_Count	1
1017	Defined_Bond_Stereo_Count	0
71296943	Undefined_Bond_Stereo_Count	1
75769	Covalent_Unit_Count	1
771852	Molecular_Weight	302.30
722799	Exact_Mass	306.09168915
54677674	Isotope_Atom_Count	0
3081561	Molecular_Weight	1680.5
23345862	Total_Formal_Charge	0
18962468	Isotope_Atom_Count	0
5527	Non-hydrogen_Atom_Count	24
6995013	Non-hydrogen_Atom_Count	11
6770	Exact_Mass	323.11575802
7067772	TPSA	152
9195	Undefined_Bond_Stereo_Count	0
12138	Molecular_Weight	212.29
16020006	Undefined_Bond_Stereo_Count	0
67656913	Isotope_Atom_Count	0
5280981	Covalent_Unit_Count	1
9301	Mono_Isotopic_Weight	235.02079
22505735	Exact_Mass	98.084398327
60196268	Undefined_Bond_Stereo_Count	0
71629	Defined_Atom_Stereo_Count	0
66792573	Rotatable_Bond_Count	1
57514051	Tautomer_Count	999
119093923	Hydrogen_Bond_Acceptor_Count	4
2167092	Covalent_Unit_Count	1
36660	Total_Formal_Charge	0
6436055	Undefined_Atom_Stereo_Count	0
516902	Covalent_Unit_Count	2
31237	Hydrogen_Bond_Donor_Count	0
44392096	Non-hydrogen_Atom_Count	37
45933886	Rotatable_Bond_Count	1
13204363	Non-hydrogen_Atom_Count	6
97035	Defined_Atom_Stereo_Count	0
3083540	Tautomer_Count	1
129654248	TPSA	15.4
636345	Covalent_Unit_Count	1
20209436	Non-hydrogen_Atom_Count	38
10103139	Undefined_Bond_Stereo_Count	0
97469	Hydrogen_Bond_Acceptor_Count	2
5281098	Defined_Bond_Stereo_Count	1
5284441	Undefined_Atom_Stereo_Count	1
447587	TPSA	21.2
143291	Hydrogen_Bond_Donor_Count	2
53735	Isotope_Atom_Count	0
24470	Isotope_Atom_Count	0
71449585	Defined_Atom_Stereo_Count	0
522769	Total_Formal_Charge	0
151173	Exact_Mass	213.07495584
11633167	Rotatable_Bond_Count	7
30380	Structure_Complexity	203
4847	Hydrogen_Bond_Donor_Count	0
7963	Isotope_Atom_Count	0
53276	Exact_Mass	304.13355396
6438129	Rotatable_Bond_Count	7
16395904	Total_Formal_Charge	0
11393	Undefined_Atom_Stereo_Count	0
53290	XLogP3-AA	4.1
24180873	Mono_Isotopic_Weight	666.70029
114789	Hydrogen_Bond_Acceptor_Count	0
68416156	Isotope_Atom_Count	0
125468	Defined_Bond_Stereo_Count	1
4344	Structure_Complexity	53.7
54258195	Molecular_Weight	105.14
136091	Exact_Mass	110.109550447
56991328	Defined_Atom_Stereo_Count	0
19604274	TPSA	67.4
61701	Hydrogen_Bond_Donor_Count	0
17242	Undefined_Bond_Stereo_Count	0
146367450	Mono_Isotopic_Weight	284.16237386
71584401	Rotatable_Bond_Count	8
59969	Hydrogen_Bond_Acceptor_Count	3
60209583	Hydrogen_Bond_Donor_Count	1
2741	Defined_Bond_Stereo_Count	0
6232	Isotope_Atom_Count	0
12077828	Structure_Complexity	454
44630251	Rotatable_Bond_Count	5
63179	Hydrogen_Bond_Acceptor_Count	5
4523964	Defined_Bond_Stereo_Count	0
19354670	Non-hydrogen_Atom_Count	6
4174	Undefined_Atom_Stereo_Count	0
66901	Isotope_Atom_Count	0
57547	TPSA	18.1
716121	Hydrogen_Bond_Donor_Count	0
6436661	Defined_Bond_Stereo_Count	2
639420	Defined_Atom_Stereo_Count	0
71415	Tautomer_Count	3
58375	Defined_Bond_Stereo_Count	0
284980	Exact_Mass	217.9901349
23677960	Rotatable_Bond_Count	1
102093221	Undefined_Atom_Stereo_Count	0
81890	Undefined_Atom_Stereo_Count	0
62871	Undefined_Bond_Stereo_Count	0
60810	Defined_Bond_Stereo_Count	0
57568	Molecular_Weight	211.30
219025	Total_Formal_Charge	0
37508	Defined_Atom_Stereo_Count	0
51504	Exact_Mass	356.2230560
198791	Undefined_Bond_Stereo_Count	0
565589	Undefined_Atom_Stereo_Count	2
24871744	Hydrogen_Bond_Donor_Count	1
82588	Tautomer_Count	2
11115032	Hydrogen_Bond_Donor_Count	14
5064267	Exact_Mass	405.99294301
140066067	Molecular_Weight	107.11
72573106	Hydrogen_Bond_Donor_Count	3
135539121	Total_Formal_Charge	0
208916	Mono_Isotopic_Weight	189.151749610
13003788	Molecular_Weight	110.15
53723270	Hydrogen_Bond_Donor_Count	0
10902277	Undefined_Bond_Stereo_Count	0
7945	Undefined_Atom_Stereo_Count	0
11715767	TPSA	57.8
12724623	Exact_Mass	98.073164938
1894	Total_Formal_Charge	0
441401	Molecular_Weight	337.35
57396607	Molecular_Weight	465.5
84647642	Defined_Atom_Stereo_Count	0
14336	Undefined_Atom_Stereo_Count	0
90877284	XLogP3-AA	2.8
94412	Defined_Atom_Stereo_Count	0
268488	Structure_Complexity	180
5610	XLogP3	1.1
47640	Non-hydrogen_Atom_Count	23
21680724	Undefined_Bond_Stereo_Count	0
91857355	Mono_Isotopic_Weight	342.11621151
3034023	XLogP3-AA	3.4
6918204	Rotatable_Bond_Count	29
11717831	Non-hydrogen_Atom_Count	27
15065	Undefined_Bond_Stereo_Count	0
6451477	Non-hydrogen_Atom_Count	7
55804	Defined_Bond_Stereo_Count	0
24884488	Undefined_Bond_Stereo_Count	0
5281065	Defined_Atom_Stereo_Count	0
23960	Non-hydrogen_Atom_Count	1
53724680	Defined_Atom_Stereo_Count	0
12024	XLogP3	2.3
12475877	Undefined_Bond_Stereo_Count	0
441073	Hydrogen_Bond_Acceptor_Count	4
87905888	Covalent_Unit_Count	1
71884	Rotatable_Bond_Count	20
126627233	Structure_Complexity	62.5
219145	Hydrogen_Bond_Donor_Count	0
3874	Defined_Atom_Stereo_Count	0
123788466	Mono_Isotopic_Weight	95.048347172
57756	Isotope_Atom_Count	0
44629600	Structure_Complexity	973
194383	Hydrogen_Bond_Donor_Count	6
10251	Total_Formal_Charge	0
637939	Molecular_Weight	98.14
52940810	Hydrogen_Bond_Acceptor_Count	5
45256107	Defined_Atom_Stereo_Count	0
56835784	Molecular_Weight	492.33
11801	Hydrogen_Bond_Donor_Count	0
1470839	Non-hydrogen_Atom_Count	20
16131215	Hydrogen_Bond_Donor_Count	13
68809	Defined_Bond_Stereo_Count	0
99025	XLogP3-AA	2.9
5284584	Exact_Mass	367.0934984
3067270	Non-hydrogen_Atom_Count	24
14494975	Structure_Complexity	138
20903	XLogP3-AA	1.3
448653	Tautomer_Count	1
68847	Defined_Bond_Stereo_Count	0
7979	Isotope_Atom_Count	0
53276	Undefined_Atom_Stereo_Count	0
39385	Molecular_Weight	293.75
6851740	Non-hydrogen_Atom_Count	37
12791421	Defined_Atom_Stereo_Count	0
197148	Isotope_Atom_Count	0
484651	Structure_Complexity	2070
136430	TPSA	24.1
13593982	Hydrogen_Bond_Donor_Count	1
153665501	Undefined_Atom_Stereo_Count	2
134085	Structure_Complexity	269
21862291	Rotatable_Bond_Count	4
10236037	Mono_Isotopic_Weight	173.141578849
447545	XLogP3-AA	2
550942	Exact_Mass	171.149738234
21864093	TPSA	69.4
125127453	Rotatable_Bond_Count	3
136316	Exact_Mass	110.109550447
123896575	Rotatable_Bond_Count	1
15982018	Isotope_Atom_Count	0
24853	Defined_Atom_Stereo_Count	0
44259	XLogP3-AA	3.2
101742	XLogP3-AA	4.3
73093	Undefined_Atom_Stereo_Count	0
3392711	Isotope_Atom_Count	0
193504	Hydrogen_Bond_Acceptor_Count	2
12074364	Isotope_Atom_Count	0
9567831	Hydrogen_Bond_Donor_Count	3
7487	Undefined_Bond_Stereo_Count	0
15098	Hydrogen_Bond_Acceptor_Count	0
121235530	Exact_Mass	3356.8220541
1706	Molecular_Weight	178.23
10722	Undefined_Atom_Stereo_Count	0
53904133	Hydrogen_Bond_Donor_Count	1
73619	Structure_Complexity	1140
57399651	Exact_Mass	320.0900848
5351387	Exact_Mass	396.09740462
34515	Molecular_Weight	332.4
446067	Defined_Atom_Stereo_Count	0
204109	Exact_Mass	381.08349271
31386	Defined_Atom_Stereo_Count	0
17461	Exact_Mass	904.04446352
22160828	Molecular_Weight	84.12
23667568	TPSA	85.8
522325	Isotope_Atom_Count	0
121494058	Defined_Atom_Stereo_Count	4
17921988	Undefined_Atom_Stereo_Count	1
139030973	Isotope_Atom_Count	0
9573395	Mono_Isotopic_Weight	645.23224432
19022508	Covalent_Unit_Count	1
45116623	Non-hydrogen_Atom_Count	7
72	Isotope_Atom_Count	0
136459	Undefined_Bond_Stereo_Count	0
6180	Rotatable_Bond_Count	5
93847	Structure_Complexity	264
41934	Defined_Bond_Stereo_Count	0
9552079	Isotope_Atom_Count	0
20287220	Isotope_Atom_Count	0
10898649	Mono_Isotopic_Weight	97.063997236
19648	Isotope_Atom_Count	0
396765	Hydrogen_Bond_Acceptor_Count	2
13203	Hydrogen_Bond_Donor_Count	0
135887824	Undefined_Atom_Stereo_Count	4
6438028	Tautomer_Count	1
2467	TPSA	48
164668700	Non-hydrogen_Atom_Count	8
146681950	Defined_Atom_Stereo_Count	18
693318	Undefined_Bond_Stereo_Count	0
123373475	Undefined_Bond_Stereo_Count	0
67656913	Undefined_Bond_Stereo_Count	0
16218742	Covalent_Unit_Count	2
2528	XLogP3-AA	1.9
6431771	Molecular_Weight	343.32
2825062	XLogP3-AA	3.5
24965990	Hydrogen_Bond_Donor_Count	0
22162	Defined_Atom_Stereo_Count	0
8520	Hydrogen_Bond_Acceptor_Count	3
49217	Hydrogen_Bond_Acceptor_Count	4
10130120	Defined_Bond_Stereo_Count	0
158785912	Hydrogen_Bond_Donor_Count	5
13029605	Covalent_Unit_Count	1
146110	Mono_Isotopic_Weight	442.18117893
8534	Hydrogen_Bond_Donor_Count	3
42539	Defined_Bond_Stereo_Count	0
85904477	Total_Formal_Charge	0
18950	Tautomer_Count	1
3045225	Molecular_Weight	243.30
138579	Covalent_Unit_Count	1
121493082	Structure_Complexity	18900
9574101	Undefined_Bond_Stereo_Count	0
544613	Hydrogen_Bond_Acceptor_Count	2
2336	Undefined_Bond_Stereo_Count	0
119097373	Covalent_Unit_Count	1
5382	Hydrogen_Bond_Acceptor_Count	4
140552347	Structure_Complexity	95.3
12948	Isotope_Atom_Count	0
23207045	Covalent_Unit_Count	1
12206947	Exact_Mass	111.068413911
3048339	Tautomer_Count	3
56679083	Mono_Isotopic_Weight	1421.74894144
63025	Hydrogen_Bond_Donor_Count	1
16212360	Defined_Bond_Stereo_Count	0
93532990	Undefined_Bond_Stereo_Count	0
18941761	Total_Formal_Charge	0
363121	Exact_Mass	236.07970687
65940	Total_Formal_Charge	0
54598522	Isotope_Atom_Count	0
87106053	Isotope_Atom_Count	0
78201192	Defined_Atom_Stereo_Count	0
101100163	Undefined_Bond_Stereo_Count	0
23675456	Rotatable_Bond_Count	16
19822625	Structure_Complexity	41.4
95173	Defined_Bond_Stereo_Count	0
5195	Molecular_Weight	187.28
44338510	Defined_Bond_Stereo_Count	0
83960	Rotatable_Bond_Count	8
105131	Rotatable_Bond_Count	1
76693	XLogP3-AA	4.5
32122	Rotatable_Bond_Count	8
125440	Mono_Isotopic_Weight	225.078978594
20770532	Covalent_Unit_Count	1
14868106	Rotatable_Bond_Count	1
6914282	Hydrogen_Bond_Donor_Count	3
33629	Tautomer_Count	1
31013	Defined_Atom_Stereo_Count	0
9912743	Total_Formal_Charge	0
69462	Hydrogen_Bond_Acceptor_Count	4
11194304	Structure_Complexity	72.9
25015412	XLogP3-AA	2.4
640	Defined_Atom_Stereo_Count	0
2090	Tautomer_Count	36
2193	Isotope_Atom_Count	0
87815038	Isotope_Atom_Count	0
57340467	Undefined_Atom_Stereo_Count	2
598777	Undefined_Bond_Stereo_Count	0
443944	Tautomer_Count	6
22160831	TPSA	33
44395161	Undefined_Bond_Stereo_Count	0
636374	Rotatable_Bond_Count	8
13314	Exact_Mass	334.0275830
71306354	Structure_Complexity	4380
17309	Hydrogen_Bond_Donor_Count	0
53346492	Undefined_Atom_Stereo_Count	0
66249	Isotope_Atom_Count	0
68289010	Mono_Isotopic_Weight	345.14504152
91185266	Mono_Isotopic_Weight	114.068079557
154809859	Hydrogen_Bond_Acceptor_Count	14
2853	Mono_Isotopic_Weight	515.27438392
70220	XLogP3-AA	1.8
21934982	Mono_Isotopic_Weight	141.115364102
11198850	Covalent_Unit_Count	1
13373005	Hydrogen_Bond_Acceptor_Count	11
8478	TPSA	18.5
157690	TPSA	143
296732	Non-hydrogen_Atom_Count	17
4436	Hydrogen_Bond_Donor_Count	1
61055	Molecular_Weight	144.21
87704774	Non-hydrogen_Atom_Count	14
8520	Non-hydrogen_Atom_Count	25
373735	Structure_Complexity	63.5
154825229	Molecular_Weight	218.33
797998	Molecular_Weight	344.7
151897	XLogP3	1.2
78377	Tautomer_Count	1
281478	Defined_Bond_Stereo_Count	0
21973769	Isotope_Atom_Count	0
85252	Mono_Isotopic_Weight	160.091956283
94508	XLogP3-AA	2.2
90987052	Hydrogen_Bond_Acceptor_Count	0
68805	Isotope_Atom_Count	0
53421140	Rotatable_Bond_Count	0
92386	Exact_Mass	248.14124450
59372	Molecular_Weight	376.4
83075	Undefined_Bond_Stereo_Count	0
164167667	Molecular_Weight	113.11
2724100	Undefined_Bond_Stereo_Count	0
23665760	Exact_Mass	73.9535366
138813	Tautomer_Count	1
23897	Structure_Complexity	354
22817455	Defined_Atom_Stereo_Count	4
54582799	Defined_Bond_Stereo_Count	0
543129	Covalent_Unit_Count	1
27774	Covalent_Unit_Count	1
1017	Total_Formal_Charge	0
43057	Total_Formal_Charge	0
154518370	Covalent_Unit_Count	1
96396	Structure_Complexity	205
90753995	Isotope_Atom_Count	0
1752	Molecular_Weight	220.35
154183660	Rotatable_Bond_Count	2
3795601	Non-hydrogen_Atom_Count	8
68862	Undefined_Atom_Stereo_Count	1
72200668	Molecular_Weight	317.36
5460185	Defined_Bond_Stereo_Count	0
14872976	Undefined_Bond_Stereo_Count	0
10180201	Isotope_Atom_Count	0
6917733	Tautomer_Count	1
90714454	TPSA	29.5
20393	Tautomer_Count	1
140152057	Defined_Atom_Stereo_Count	0
46227489	Molecular_Weight	460.5
69347980	Exact_Mass	476.1633482
9816483	XLogP3-AA	3
12933420	Covalent_Unit_Count	1
91399390	Covalent_Unit_Count	1
2216	TPSA	62.4
10493732	Mono_Isotopic_Weight	290.199428076
6847	Hydrogen_Bond_Acceptor_Count	2
9589475	Defined_Bond_Stereo_Count	1
572086	XLogP3-AA	0.7
444655	Exact_Mass	121.076573296
53435617	Molecular_Weight	290.3
28830	Non-hydrogen_Atom_Count	19
5454	TPSA	77.5
5866327	Defined_Atom_Stereo_Count	0
20695	TPSA	41.5
13570516	Defined_Atom_Stereo_Count	0
69216	Isotope_Atom_Count	0
46202743	Exact_Mass	439.18083850
13593923	Exact_Mass	110.073164938
3034285	Hydrogen_Bond_Donor_Count	0
118318030	Defined_Bond_Stereo_Count	0
17907809	Defined_Bond_Stereo_Count	0
25077405	Undefined_Atom_Stereo_Count	0
122222714	Rotatable_Bond_Count	7
6327580	Undefined_Atom_Stereo_Count	0
61631	TPSA	26.3
56974851	Hydrogen_Bond_Acceptor_Count	3
88294	Structure_Complexity	218
73538	Undefined_Atom_Stereo_Count	0
6450232	Structure_Complexity	332
155294764	Rotatable_Bond_Count	14
124019740	Undefined_Bond_Stereo_Count	0
134824657	Defined_Bond_Stereo_Count	0
22628836	Non-hydrogen_Atom_Count	8
565424	Isotope_Atom_Count	0
439739	Non-hydrogen_Atom_Count	25
10510831	Mono_Isotopic_Weight	112.100048391
147919783	Covalent_Unit_Count	1
21777	Molecular_Weight	211.73
22068766	Covalent_Unit_Count	1
11710986	Non-hydrogen_Atom_Count	30
9808	Isotope_Atom_Count	0
122980	Defined_Atom_Stereo_Count	0
11500493	Hydrogen_Bond_Donor_Count	2
2963764	Covalent_Unit_Count	1
35330	Total_Formal_Charge	0
7817	Structure_Complexity	116
856278	Undefined_Atom_Stereo_Count	0
78950	Undefined_Bond_Stereo_Count	0
103609	Molecular_Weight	167.25
90998196	Non-hydrogen_Atom_Count	7
82658	Undefined_Atom_Stereo_Count	1
3300	Isotope_Atom_Count	0
136738541	Non-hydrogen_Atom_Count	80
99295	Molecular_Weight	87.15
2386	Undefined_Atom_Stereo_Count	0
13247016	Undefined_Atom_Stereo_Count	1
107327	Isotope_Atom_Count	0
649230	Exact_Mass	424.16343649
10292887	Undefined_Atom_Stereo_Count	0
162918373	Total_Formal_Charge	0
445576	TPSA	54.4
11414	XLogP3	3.6
24214097	Rotatable_Bond_Count	4
71311204	Undefined_Bond_Stereo_Count	0
11955855	Non-hydrogen_Atom_Count	27
94865125	Defined_Atom_Stereo_Count	16
8667	Structure_Complexity	235
69	Undefined_Atom_Stereo_Count	0
71081	Structure_Complexity	60.5
9854489	Undefined_Bond_Stereo_Count	0
130285	TPSA	42
15758	Hydrogen_Bond_Donor_Count	2
497698	Covalent_Unit_Count	1
5484131	Defined_Atom_Stereo_Count	2
6077	Total_Formal_Charge	0
690	Hydrogen_Bond_Acceptor_Count	3
443753	Tautomer_Count	3
17819	Tautomer_Count	13
135487856	Hydrogen_Bond_Donor_Count	2
141545	Defined_Bond_Stereo_Count	0
23532160	Undefined_Atom_Stereo_Count	0
13076	Mono_Isotopic_Weight	206.109550447
84552	Non-hydrogen_Atom_Count	6
143035	Molecular_Weight	68.07
12066842	Molecular_Weight	98.15
95717	Rotatable_Bond_Count	0
136655	Exact_Mass	159.079647300
16290686	Covalent_Unit_Count	1
197160	Covalent_Unit_Count	1
22022770	Undefined_Atom_Stereo_Count	1
20472034	Structure_Complexity	156
22860	Tautomer_Count	1
71743826	Total_Formal_Charge	0
44570384	Total_Formal_Charge	0
137254	Hydrogen_Bond_Acceptor_Count	2
6746	Exact_Mass	412.370516150
453915	Undefined_Bond_Stereo_Count	0
13463260	Isotope_Atom_Count	0
702015	Undefined_Bond_Stereo_Count	0
42070	Isotope_Atom_Count	0
3045407	Tautomer_Count	1
11850983	Isotope_Atom_Count	0
6363	Covalent_Unit_Count	1
87157524	Hydrogen_Bond_Acceptor_Count	4
44563144	Total_Formal_Charge	0
14803	Molecular_Weight	77.978
91820142	Hydrogen_Bond_Acceptor_Count	13
193390	Total_Formal_Charge	0
5491295	Non-hydrogen_Atom_Count	32
72165188	Tautomer_Count	4
5256574	Isotope_Atom_Count	0
71245	Undefined_Atom_Stereo_Count	0
74231	Hydrogen_Bond_Donor_Count	0
2729	Isotope_Atom_Count	0
104556	Mono_Isotopic_Weight	219.15829154
317459	Hydrogen_Bond_Acceptor_Count	1
71743736	Undefined_Atom_Stereo_Count	1
11688573	Undefined_Atom_Stereo_Count	0
25069561	Hydrogen_Bond_Acceptor_Count	9
593379	Defined_Bond_Stereo_Count	0
154724068	Hydrogen_Bond_Acceptor_Count	6
5192	Undefined_Bond_Stereo_Count	0
10734	Isotope_Atom_Count	0
5284518	Mono_Isotopic_Weight	348.23727013
3744660	Undefined_Bond_Stereo_Count	0
2734217	Total_Formal_Charge	0
4571243	Structure_Complexity	296
19659	Defined_Atom_Stereo_Count	0
40428945	Undefined_Bond_Stereo_Count	0
62413	Tautomer_Count	1
347475	Exact_Mass	115.099714038
6918606	Undefined_Bond_Stereo_Count	0
63141	Hydrogen_Bond_Donor_Count	0
14989494	Defined_Bond_Stereo_Count	0
13438401	Exact_Mass	112.052429494
13327309	Structure_Complexity	72.9
87468828	Total_Formal_Charge	0
57054055	Isotope_Atom_Count	0
133550157	TPSA	195
82593534	TPSA	32.3
12705044	Hydrogen_Bond_Donor_Count	0
9828911	Isotope_Atom_Count	0
47936	Undefined_Bond_Stereo_Count	0
21131860	Molecular_Weight	99.17
21908889	Hydrogen_Bond_Donor_Count	3
20798667	Total_Formal_Charge	0
117188816	XLogP3-AA	0.3
51	Covalent_Unit_Count	1
46216142	Hydrogen_Bond_Acceptor_Count	8
134150175	TPSA	110
131750287	Hydrogen_Bond_Acceptor_Count	9
3033851	Covalent_Unit_Count	1
20393266	TPSA	24.6
37247	Non-hydrogen_Atom_Count	15
54307	Non-hydrogen_Atom_Count	18
124222418	Hydrogen_Bond_Acceptor_Count	11
3121	Rotatable_Bond_Count	5
8897	Mono_Isotopic_Weight	133.03750770
3853312	Undefined_Atom_Stereo_Count	0
83191	Covalent_Unit_Count	1
329061	Structure_Complexity	72.8
38016	XLogP3	7.1
439691	Exact_Mass	103.063328530
40945	Hydrogen_Bond_Donor_Count	0
137609	Covalent_Unit_Count	1
54479104	Exact_Mass	101.084063974
27781	TPSA	23.6
66214	Tautomer_Count	1
7365	Covalent_Unit_Count	1
20378083	Structure_Complexity	98.6
9154	Hydrogen_Bond_Acceptor_Count	0
4048	Covalent_Unit_Count	1
90393	Structure_Complexity	292
6444834	Defined_Bond_Stereo_Count	2
443945	Tautomer_Count	1
6424	Molecular_Weight	310.81
6595	Tautomer_Count	2
9964101	TPSA	80.4
9861124	Exact_Mass	299.0279976
3414	Rotatable_Bond_Count	0
24896135	Undefined_Bond_Stereo_Count	0
24439	Total_Formal_Charge	0
240	Tautomer_Count	2
21893333	Exact_Mass	109.052763847
2748718	Mono_Isotopic_Weight	218.04399007
78422661	Isotope_Atom_Count	0
7074810	TPSA	74.6
259329	Total_Formal_Charge	0
367985	Mono_Isotopic_Weight	257.07351655
88867195	Exact_Mass	113.120449483
160051	Tautomer_Count	1
124846	Tautomer_Count	6
86018330	Undefined_Atom_Stereo_Count	0
83966	Undefined_Atom_Stereo_Count	0
19239	Undefined_Bond_Stereo_Count	0
439271	Total_Formal_Charge	0
10753	Hydrogen_Bond_Acceptor_Count	6
3532561	Undefined_Bond_Stereo_Count	0
11829356	Structure_Complexity	67.9
117274708	Exact_Mass	111.032028402
81767	Undefined_Bond_Stereo_Count	0
2733779	Hydrogen_Bond_Acceptor_Count	8
108150	Total_Formal_Charge	0
164167667	Covalent_Unit_Count	1
54695720	TPSA	214
156599225	Rotatable_Bond_Count	10
81762	Hydrogen_Bond_Acceptor_Count	4
134669	Defined_Bond_Stereo_Count	0
29353	Total_Formal_Charge	0
193168	Undefined_Atom_Stereo_Count	0
91667979	Non-hydrogen_Atom_Count	21
7686	Total_Formal_Charge	0
274	Hydrogen_Bond_Acceptor_Count	10
78201192	Hydrogen_Bond_Acceptor_Count	2
25654	Exact_Mass	389.16991885
6999109	Undefined_Atom_Stereo_Count	0
71720685	Undefined_Bond_Stereo_Count	0
40550	Mono_Isotopic_Weight	267.05179866
7896	Tautomer_Count	1
34481	Structure_Complexity	426
162883454	Total_Formal_Charge	0
71300392	Hydrogen_Bond_Donor_Count	0
429819	Undefined_Atom_Stereo_Count	0
25142309	Hydrogen_Bond_Donor_Count	2
498459	Defined_Atom_Stereo_Count	0
86439	Defined_Bond_Stereo_Count	0
2108	Isotope_Atom_Count	0
155448	Structure_Complexity	263
318158	XLogP3-AA	1
14896	Mono_Isotopic_Weight	136.125200510
6455792	Non-hydrogen_Atom_Count	8
3489	Covalent_Unit_Count	1
75866	Hydrogen_Bond_Acceptor_Count	1
134587348	Undefined_Atom_Stereo_Count	0
134129158	Covalent_Unit_Count	1
91593552	Structure_Complexity	70.8
260859	Undefined_Bond_Stereo_Count	0
57335384	Undefined_Atom_Stereo_Count	0
475825	Isotope_Atom_Count	0
6108	Exact_Mass	167.02185764
12542086	Defined_Bond_Stereo_Count	0
53262012	Covalent_Unit_Count	1
95116	Exact_Mass	210.00205114
59317190	Defined_Atom_Stereo_Count	1
20728	Undefined_Atom_Stereo_Count	7
6916033	Tautomer_Count	1
4167	Hydrogen_Bond_Donor_Count	0
50299	Tautomer_Count	2
10773225	Rotatable_Bond_Count	1
63088	TPSA	0
12036651	Undefined_Atom_Stereo_Count	0
14717865	Undefined_Bond_Stereo_Count	0
6160	Tautomer_Count	2
1694	TPSA	41.6
124402108	Structure_Complexity	382
6545	Undefined_Bond_Stereo_Count	0
151115	Isotope_Atom_Count	0
4711	Undefined_Bond_Stereo_Count	0
316724	Undefined_Bond_Stereo_Count	0
630689	Mono_Isotopic_Weight	336.183778013
35687	Tautomer_Count	1
785	Hydrogen_Bond_Acceptor_Count	2
68529525	Defined_Atom_Stereo_Count	0
22160	Total_Formal_Charge	0
5311308	Undefined_Bond_Stereo_Count	0
1385	Mono_Isotopic_Weight	355.0645069
60196360	Defined_Bond_Stereo_Count	0
140945	Covalent_Unit_Count	1
11340940	Non-hydrogen_Atom_Count	34
44129647	Rotatable_Bond_Count	4
21766329	Non-hydrogen_Atom_Count	8
10351656	Hydrogen_Bond_Acceptor_Count	2
54133029	Defined_Atom_Stereo_Count	0
14106	Undefined_Bond_Stereo_Count	0
7204	Mono_Isotopic_Weight	200.0240218
70690618	XLogP3-AA	3.8
160602	Defined_Atom_Stereo_Count	0
64	Structure_Complexity	176
45055378	Non-hydrogen_Atom_Count	26
399235	Total_Formal_Charge	0
6777	Non-hydrogen_Atom_Count	24
52948154	Total_Formal_Charge	0
134825353	Defined_Bond_Stereo_Count	0
5368491	Hydrogen_Bond_Donor_Count	1
87847445	Non-hydrogen_Atom_Count	8
44129647	Structure_Complexity	585
55288198	Non-hydrogen_Atom_Count	8
2883813	Undefined_Bond_Stereo_Count	0
2734176	Non-hydrogen_Atom_Count	17
12240	Undefined_Atom_Stereo_Count	0
441451	Tautomer_Count	1
441073	Exact_Mass	324.183778013
79117672	Mono_Isotopic_Weight	111.068413911
15983550	Exact_Mass	467.21686904
11789136	XLogP3-AA	1
19735771	Exact_Mass	112.063662883
12088	Rotatable_Bond_Count	2
5	Hydrogen_Bond_Donor_Count	3
10239891	Covalent_Unit_Count	1
90488948	Undefined_Atom_Stereo_Count	0
3152	Exact_Mass	379.21474379
125183302	Undefined_Atom_Stereo_Count	0
94960	Hydrogen_Bond_Acceptor_Count	3
6791	Rotatable_Bond_Count	1
381117	Non-hydrogen_Atom_Count	19
10442928	Undefined_Bond_Stereo_Count	0
216295	Covalent_Unit_Count	1
10455790	Structure_Complexity	818
231360	Defined_Bond_Stereo_Count	0
51030896	Defined_Bond_Stereo_Count	0
517546	Defined_Bond_Stereo_Count	0
26560	Undefined_Bond_Stereo_Count	0
67936	Rotatable_Bond_Count	1
2138	Defined_Atom_Stereo_Count	0
54682536	Rotatable_Bond_Count	4
640308	XLogP3-AA	0.2
31279	Undefined_Atom_Stereo_Count	0
5257090	TPSA	80.5
70846	Undefined_Bond_Stereo_Count	0
616632	Non-hydrogen_Atom_Count	18
9952446	Exact_Mass	392.15699200
24762165	Covalent_Unit_Count	1
458420	Mono_Isotopic_Weight	86.02286070
8995	Structure_Complexity	174
18769664	Defined_Bond_Stereo_Count	0
59311377	TPSA	50.2
26423	Exact_Mass	319.925559
47510	Covalent_Unit_Count	1
10027816	Total_Formal_Charge	0
652876	Molecular_Weight	313.3
413728	Undefined_Bond_Stereo_Count	0
43184	Covalent_Unit_Count	2
10887834	Undefined_Atom_Stereo_Count	0
61917	Total_Formal_Charge	0
90469695	Undefined_Bond_Stereo_Count	0
1550213	Isotope_Atom_Count	0
69465	Tautomer_Count	1
3073200	Defined_Bond_Stereo_Count	0
11693521	Covalent_Unit_Count	1
544627	Undefined_Atom_Stereo_Count	0
162990684	Molecular_Weight	665.7
86811213	Tautomer_Count	1
3034022	Mono_Isotopic_Weight	770.26687344
91617	Molecular_Weight	534.5
56055	Undefined_Bond_Stereo_Count	1
2199	XLogP3-AA	0.9
6940	Defined_Atom_Stereo_Count	0
57507	Hydrogen_Bond_Donor_Count	1
102505711	Mono_Isotopic_Weight	384.0699267
47750	Hydrogen_Bond_Acceptor_Count	6
534471	Structure_Complexity	129
11027582	Exact_Mass	506.97095
140796896	Undefined_Bond_Stereo_Count	1
638081	Rotatable_Bond_Count	0
62334	Isotope_Atom_Count	0
160458	Undefined_Bond_Stereo_Count	0
135400916	Undefined_Bond_Stereo_Count	0
51029782	Total_Formal_Charge	0
82332	Rotatable_Bond_Count	2
24825264	Hydrogen_Bond_Acceptor_Count	7
12762328	Defined_Bond_Stereo_Count	0
546996	Tautomer_Count	1
66558858	Rotatable_Bond_Count	3
13189	Tautomer_Count	1
6380	Undefined_Bond_Stereo_Count	0
10578	Defined_Atom_Stereo_Count	0
129787717	Undefined_Atom_Stereo_Count	0
676399	Mono_Isotopic_Weight	284.11609238
143440	Hydrogen_Bond_Acceptor_Count	2
316542	Hydrogen_Bond_Donor_Count	2
10298	Hydrogen_Bond_Acceptor_Count	3
9952916	Hydrogen_Bond_Acceptor_Count	4
65043	Undefined_Atom_Stereo_Count	0
4720	TPSA	80.9
87074	Non-hydrogen_Atom_Count	8
520888	Undefined_Atom_Stereo_Count	0
7470	Tautomer_Count	6
25079425	Tautomer_Count	996
3151	Rotatable_Bond_Count	5
4175	Mono_Isotopic_Weight	388.26135963
83803459	Non-hydrogen_Atom_Count	8
162839	Non-hydrogen_Atom_Count	15
2202	Structure_Complexity	287
6098	Undefined_Bond_Stereo_Count	0
9811834	Mono_Isotopic_Weight	411.20457303
3086652	Undefined_Bond_Stereo_Count	0
54456063	Rotatable_Bond_Count	2
59050126	Covalent_Unit_Count	1
7233	Exact_Mass	350.329713967
22952912	Hydrogen_Bond_Acceptor_Count	2
136316	TPSA	0
94314	TPSA	50.6
11574877	Defined_Bond_Stereo_Count	0
14113	Non-hydrogen_Atom_Count	13
9387	Hydrogen_Bond_Acceptor_Count	18
12745213	Isotope_Atom_Count	0
12743036	Defined_Bond_Stereo_Count	0
3191	Mono_Isotopic_Weight	469.298079487
17904650	Total_Formal_Charge	0
1549026	Rotatable_Bond_Count	6
22386	Covalent_Unit_Count	1
51082	Undefined_Bond_Stereo_Count	0
556172	Defined_Bond_Stereo_Count	0
24986999	Defined_Atom_Stereo_Count	4
19013328	Molecular_Weight	110.11
3603687	XLogP3-AA	1.1
1621	Structure_Complexity	230
72492	Hydrogen_Bond_Acceptor_Count	17
5353831	Defined_Atom_Stereo_Count	0
10064061	Defined_Atom_Stereo_Count	2
54718618	Exact_Mass	460.07454252
2059	Non-hydrogen_Atom_Count	25
12178790	Hydrogen_Bond_Donor_Count	0
748	Mono_Isotopic_Weight	387.04062148
10129	Mono_Isotopic_Weight	138.140850574
101508194	Defined_Bond_Stereo_Count	0
57442010	Hydrogen_Bond_Acceptor_Count	9
10937607	Rotatable_Bond_Count	0
933147	Hydrogen_Bond_Acceptor_Count	5
58478000	Defined_Atom_Stereo_Count	0
62238	Total_Formal_Charge	0
5311211	Hydrogen_Bond_Acceptor_Count	3
384	Total_Formal_Charge	0
406167	Defined_Atom_Stereo_Count	0
50857	Exact_Mass	180.126263138
146487258	Exact_Mass	116.083729621
141691	Undefined_Bond_Stereo_Count	0
3191	Rotatable_Bond_Count	10
76852230	Undefined_Atom_Stereo_Count	1
20060494	Undefined_Bond_Stereo_Count	0
581676	Covalent_Unit_Count	1
135484549	Isotope_Atom_Count	0
13976498	TPSA	0
66575068	TPSA	276
10724	Rotatable_Bond_Count	0
124009720	Hydrogen_Bond_Donor_Count	1
518964	Structure_Complexity	37.4
2135	Mono_Isotopic_Weight	202.098037015
16070111	Exact_Mass	416.20597001
521207	Isotope_Atom_Count	0
60196333	Tautomer_Count	1
71957	Defined_Atom_Stereo_Count	2
10428273	Defined_Atom_Stereo_Count	0
79723	Hydrogen_Bond_Acceptor_Count	8
3081907	Non-hydrogen_Atom_Count	73
118585331	Defined_Bond_Stereo_Count	0
72075	TPSA	6.5
81102	Exact_Mass	236.14124450
113917	Non-hydrogen_Atom_Count	23
9950094	Mono_Isotopic_Weight	345.1244046
6189	Structure_Complexity	635
47576	Undefined_Bond_Stereo_Count	0
534610	Mono_Isotopic_Weight	114.104465066
3289	XLogP3	3.6
3033983	Isotope_Atom_Count	0
5365371	Mono_Isotopic_Weight	337.334464995
141169621	Rotatable_Bond_Count	0
72026	Molecular_Weight	326.4
213043	Rotatable_Bond_Count	5
85989631	Molecular_Weight	94.15
59736263	TPSA	63.8
12313523	Undefined_Bond_Stereo_Count	0
444360	Defined_Atom_Stereo_Count	1
20331520	Hydrogen_Bond_Donor_Count	1
66002	Defined_Bond_Stereo_Count	0
3763	Isotope_Atom_Count	0
23064530	Hydrogen_Bond_Donor_Count	1
44593340	Undefined_Bond_Stereo_Count	0
503327	Defined_Bond_Stereo_Count	0
12488467	Isotope_Atom_Count	0
56619338	TPSA	117
76958	Hydrogen_Bond_Donor_Count	1
16047027	Structure_Complexity	954
6918678	Exact_Mass	361.12738533
70690637	Isotope_Atom_Count	0
91895876	Undefined_Bond_Stereo_Count	0
54712709	Defined_Bond_Stereo_Count	0
4790	Molecular_Weight	260.4
126968951	Hydrogen_Bond_Donor_Count	4
81850	Undefined_Atom_Stereo_Count	0
622606	Undefined_Bond_Stereo_Count	0
1434	Covalent_Unit_Count	1
71457147	Hydrogen_Bond_Donor_Count	1
6441606	Undefined_Atom_Stereo_Count	0
134715513	Covalent_Unit_Count	2
54726192	Non-hydrogen_Atom_Count	40
71453559	Undefined_Atom_Stereo_Count	0
699683	Hydrogen_Bond_Donor_Count	0
20392754	Mono_Isotopic_Weight	97.052763847
159924	TPSA	92.1
71249967	Non-hydrogen_Atom_Count	36
49769064	Covalent_Unit_Count	1
745	Hydrogen_Bond_Acceptor_Count	8
15529	Hydrogen_Bond_Acceptor_Count	3
47304	Undefined_Atom_Stereo_Count	0
3246605	Structure_Complexity	398
42552697	Isotope_Atom_Count	0
90581	Non-hydrogen_Atom_Count	6
11957587	TPSA	170
12576155	Isotope_Atom_Count	0
4974205	Covalent_Unit_Count	1
6923	Mono_Isotopic_Weight	150.104465066
1549520	Mono_Isotopic_Weight	163.063328530
176265	Mono_Isotopic_Weight	263.17077098
292429	Structure_Complexity	590
153976605	Defined_Atom_Stereo_Count	0
101640759	Rotatable_Bond_Count	6
24901211	Mono_Isotopic_Weight	493.20352765
5464110	Covalent_Unit_Count	2
11711078	Non-hydrogen_Atom_Count	26
71597331	Non-hydrogen_Atom_Count	36
321054	Defined_Bond_Stereo_Count	0
56949966	Isotope_Atom_Count	0
85032	Undefined_Bond_Stereo_Count	0
78579	Defined_Atom_Stereo_Count	0
67246787	Non-hydrogen_Atom_Count	29
17241	Undefined_Bond_Stereo_Count	0
165363453	Isotope_Atom_Count	1
119835	Structure_Complexity	506
17617	Structure_Complexity	181
5281032	Structure_Complexity	548
59557415	Hydrogen_Bond_Donor_Count	2
71718453	Undefined_Bond_Stereo_Count	0
16051038	Non-hydrogen_Atom_Count	26
250074	Defined_Atom_Stereo_Count	0
123723	Defined_Atom_Stereo_Count	1
164543616	Mono_Isotopic_Weight	113.047678466
68023	XLogP3	1.6
16725726	Exact_Mass	425.21753775
13658	TPSA	46.5
123840	Defined_Atom_Stereo_Count	0
11137	Hydrogen_Bond_Acceptor_Count	3
11926	Total_Formal_Charge	0
99453	Tautomer_Count	1
18357	Undefined_Bond_Stereo_Count	0
15458	Molecular_Weight	128.17
10778228	Hydrogen_Bond_Acceptor_Count	3
687604	Hydrogen_Bond_Donor_Count	0
30981	Defined_Bond_Stereo_Count	0
13718	Mono_Isotopic_Weight	221.141578849
61503	Defined_Atom_Stereo_Count	1
141344	Undefined_Atom_Stereo_Count	1
9841596	Undefined_Bond_Stereo_Count	0
594781	Non-hydrogen_Atom_Count	12
6433090	Mono_Isotopic_Weight	319.168462302
65659	XLogP3-AA	1.8
154109449	Hydrogen_Bond_Donor_Count	1
51030898	Defined_Atom_Stereo_Count	1
119086019	TPSA	61.3
12746990	Rotatable_Bond_Count	0
66992840	Non-hydrogen_Atom_Count	19
21917690	TPSA	27.7
3237289	Hydrogen_Bond_Donor_Count	0
681701	Undefined_Bond_Stereo_Count	1
31877	Covalent_Unit_Count	1
24906273	Hydrogen_Bond_Acceptor_Count	5
8554	Exact_Mass	194.05790880
134129845	Exact_Mass	1039.43679229
4372	Undefined_Bond_Stereo_Count	2
10866290	Hydrogen_Bond_Donor_Count	0
3893	Molecular_Weight	200.32
3513	Molecular_Weight	387.7
101943115	Hydrogen_Bond_Donor_Count	0
11423563	Isotope_Atom_Count	0
87605	Defined_Atom_Stereo_Count	0
79919	Covalent_Unit_Count	1
20654321	Undefined_Atom_Stereo_Count	2
6918146	Defined_Bond_Stereo_Count	0
398	Undefined_Bond_Stereo_Count	0
23682190	Undefined_Bond_Stereo_Count	0
564184	Molecular_Weight	92.10
19966769	Covalent_Unit_Count	1
145188444	Structure_Complexity	107
5280450	Mono_Isotopic_Weight	280.240230259
9805430	XLogP3-AA	0.8
171257	Covalent_Unit_Count	2
87394	Hydrogen_Bond_Donor_Count	0
32413	Hydrogen_Bond_Acceptor_Count	3
22397445	Undefined_Atom_Stereo_Count	0
8386	Undefined_Bond_Stereo_Count	0
58783001	Mono_Isotopic_Weight	85.052763847
5460348	TPSA	60.4
85518914	XLogP3-AA	0.1
10176670	XLogP3-AA	2.2
68737	Defined_Bond_Stereo_Count	0
44565779	Molecular_Weight	302.37
138112	Undefined_Atom_Stereo_Count	0
12533146	Non-hydrogen_Atom_Count	6
69975	Defined_Bond_Stereo_Count	0
118388018	Molecular_Weight	114.06
15034633	Hydrogen_Bond_Donor_Count	0
854019	Isotope_Atom_Count	0
60753	Structure_Complexity	443
1549120	Mono_Isotopic_Weight	319.03368562
10775424	Defined_Atom_Stereo_Count	5
11712071	Molecular_Weight	450.0
12203051	Exact_Mass	195.94975
47319	Molecular_Weight	929.1
9864348	Defined_Bond_Stereo_Count	0
16960	Mono_Isotopic_Weight	318.07316
55362	Defined_Bond_Stereo_Count	0
9821945	Structure_Complexity	532
9961	Hydrogen_Bond_Donor_Count	0
96339	Exact_Mass	166.03784206
7118	Defined_Bond_Stereo_Count	0
124486	Hydrogen_Bond_Acceptor_Count	5
21131860	Defined_Atom_Stereo_Count	0
135398595	Defined_Atom_Stereo_Count	3
8063338	Tautomer_Count	1
174251	Non-hydrogen_Atom_Count	49
27436	Covalent_Unit_Count	1
13848132	Total_Formal_Charge	0
3033952	Tautomer_Count	2
5315	Hydrogen_Bond_Donor_Count	3
33344	Structure_Complexity	156
5636	Hydrogen_Bond_Acceptor_Count	5
6328144	Undefined_Atom_Stereo_Count	0
22603659	Undefined_Bond_Stereo_Count	0
123452974	Total_Formal_Charge	0
143399	Undefined_Atom_Stereo_Count	0
19607	Hydrogen_Bond_Acceptor_Count	5
15816	Molecular_Weight	216.27
62371	Non-hydrogen_Atom_Count	19
18680274	Structure_Complexity	519
15677	Mono_Isotopic_Weight	285.18008961
77311	Covalent_Unit_Count	2
22055193	Total_Formal_Charge	0
85695	Exact_Mass	211.06920175
843179	Hydrogen_Bond_Acceptor_Count	4
6102820	Rotatable_Bond_Count	3
10345790	Molecular_Weight	498.3
13743	Molecular_Weight	271.27
12956087	Rotatable_Bond_Count	0
36811	Total_Formal_Charge	0
143289	Hydrogen_Bond_Acceptor_Count	5
40701	Tautomer_Count	1
33255	Hydrogen_Bond_Donor_Count	2
20207	Defined_Atom_Stereo_Count	0
10966200	Molecular_Weight	226.27
137240373	Structure_Complexity	2470
46783795	Defined_Bond_Stereo_Count	0
23992	Undefined_Atom_Stereo_Count	0
53846425	Hydrogen_Bond_Donor_Count	3
2724372	Rotatable_Bond_Count	3
65947	Exact_Mass	461.10568470
4180	Mono_Isotopic_Weight	293.03675924
51170	Structure_Complexity	209
11769	Structure_Complexity	273
30924	TPSA	32.9
9821849	Tautomer_Count	1
21059	Mono_Isotopic_Weight	140.047344113
14119	Hydrogen_Bond_Donor_Count	1
19348571	Hydrogen_Bond_Acceptor_Count	2
12360	Undefined_Bond_Stereo_Count	0
19111	Tautomer_Count	2
123634	Defined_Atom_Stereo_Count	17
9797661	XLogP3-AA	3.7
65576188	Hydrogen_Bond_Acceptor_Count	2
61124202	Structure_Complexity	134
49831411	Molecular_Weight	660.7
78006	TPSA	0
12344722	Molecular_Weight	93.13
12682028	Hydrogen_Bond_Donor_Count	2
129681963	Rotatable_Bond_Count	4
3634	Structure_Complexity	443
85728	Hydrogen_Bond_Donor_Count	1
5954	Non-hydrogen_Atom_Count	18
6289	Structure_Complexity	516
22212137	Covalent_Unit_Count	1
18684901	Hydrogen_Bond_Acceptor_Count	3
6546	Isotope_Atom_Count	0
53762932	Undefined_Bond_Stereo_Count	0
637511	Molecular_Weight	132.16
72712745	Covalent_Unit_Count	1
19031522	Defined_Atom_Stereo_Count	0
129675901	Structure_Complexity	226
63686	Tautomer_Count	5
54071	Structure_Complexity	197
30318	Undefined_Bond_Stereo_Count	0
74574	Molecular_Weight	310.21
11789141	Total_Formal_Charge	0
254	Hydrogen_Bond_Acceptor_Count	2
6237	Molecular_Weight	518.08
129636908	Hydrogen_Bond_Acceptor_Count	21
156460742	Rotatable_Bond_Count	3
70696694	Isotope_Atom_Count	0
11235360	Total_Formal_Charge	0
5280435	Isotope_Atom_Count	0
67125	Undefined_Atom_Stereo_Count	0
21894213	TPSA	38.8
55289472	Defined_Bond_Stereo_Count	0
12449	Exact_Mass	482.22392874
98473	Rotatable_Bond_Count	5
96395	Exact_Mass	193.085126602
49771530	Molecular_Weight	88.06
838267	Isotope_Atom_Count	0
75530159	Undefined_Atom_Stereo_Count	0
751341	Hydrogen_Bond_Acceptor_Count	4
124744577	Isotope_Atom_Count	0
55253668	Undefined_Atom_Stereo_Count	0
10862733	Isotope_Atom_Count	3
144513	Rotatable_Bond_Count	0
36667	Hydrogen_Bond_Acceptor_Count	1
76223	Total_Formal_Charge	0
5386	Non-hydrogen_Atom_Count	14
8351	Defined_Bond_Stereo_Count	0
8783	Covalent_Unit_Count	1
70684819	Undefined_Bond_Stereo_Count	0
24182914	Undefined_Atom_Stereo_Count	0
11815296	TPSA	18.5
80	Mono_Isotopic_Weight	172.03717335
137530132	XLogP3-AA	4.5
688020	TPSA	20.3
84179	Exact_Mass	163.099714038
5648	Rotatable_Bond_Count	10
11573395	Mono_Isotopic_Weight	325.157897619
8107	Non-hydrogen_Atom_Count	7
5361090	Hydrogen_Bond_Acceptor_Count	3
6977135	Total_Formal_Charge	0
16687076	Exact_Mass	110.109550447
198008	Undefined_Atom_Stereo_Count	0
15541	Covalent_Unit_Count	1
66968933	TPSA	52.3
67246725	Defined_Atom_Stereo_Count	0
40684	Isotope_Atom_Count	0
83979	TPSA	206
251070	Molecular_Weight	188.22
11858154	Undefined_Atom_Stereo_Count	0
77763	Undefined_Atom_Stereo_Count	0
90614	Covalent_Unit_Count	1
7026090	Isotope_Atom_Count	0
9554	Isotope_Atom_Count	0
102201652	Rotatable_Bond_Count	19
673647	Non-hydrogen_Atom_Count	12
14069226	Molecular_Weight	104.11
9869929	Defined_Atom_Stereo_Count	1
94213	Defined_Atom_Stereo_Count	0
72098	Defined_Bond_Stereo_Count	0
440113	Isotope_Atom_Count	0
694634	Undefined_Atom_Stereo_Count	0
3086257	TPSA	152
57395978	Isotope_Atom_Count	0
129627537	Mono_Isotopic_Weight	1354.567399
22314	Covalent_Unit_Count	1
3052772	Covalent_Unit_Count	1
519963	Undefined_Bond_Stereo_Count	0
50943013	Isotope_Atom_Count	0
135436520	TPSA	393
61285	Mono_Isotopic_Weight	227.09799996
144793800	Mono_Isotopic_Weight	102.079312947
4140	Covalent_Unit_Count	1
16772299	Exact_Mass	99.104799419
9936	Undefined_Bond_Stereo_Count	0
13081	Structure_Complexity	263
54580844	Total_Formal_Charge	0
86007746	Hydrogen_Bond_Donor_Count	0
122669	Defined_Atom_Stereo_Count	0
71584056	Undefined_Bond_Stereo_Count	0
66829	Covalent_Unit_Count	1
444036	Non-hydrogen_Atom_Count	34
44607530	Molecular_Weight	495.0
4514	Tautomer_Count	2
3014827	Total_Formal_Charge	0
549278	XLogP3-AA	0.1
85916	Undefined_Bond_Stereo_Count	1
71721420	Structure_Complexity	95.3
12444299	Non-hydrogen_Atom_Count	35
60867	Molecular_Weight	280.28
5321950	Hydrogen_Bond_Donor_Count	0
5225092	Rotatable_Bond_Count	7
88024860	Total_Formal_Charge	0
411	Mono_Isotopic_Weight	353.13487601
14647552	Molecular_Weight	133.23
5003059	Undefined_Atom_Stereo_Count	0
19935266	Non-hydrogen_Atom_Count	7
135121972	Molecular_Weight	364.8
54586720	Defined_Bond_Stereo_Count	0
34213	Defined_Atom_Stereo_Count	0
699165	Undefined_Atom_Stereo_Count	0
135430945	Defined_Bond_Stereo_Count	0
4636051	Mono_Isotopic_Weight	385.94736
62816	Rotatable_Bond_Count	11
14464	Tautomer_Count	1
16622	XLogP3-AA	3.3
201874	TPSA	44.1
22218878	Exact_Mass	83.037113783
5497	Tautomer_Count	1
9936489	Molecular_Weight	520.0
5003096	Rotatable_Bond_Count	3
163735019	Isotope_Atom_Count	0
16659838	Undefined_Bond_Stereo_Count	0
47499	Isotope_Atom_Count	0
99474	Defined_Bond_Stereo_Count	0
51030056	Non-hydrogen_Atom_Count	30
46830487	Isotope_Atom_Count	0
101938021	Defined_Bond_Stereo_Count	0
69503325	Total_Formal_Charge	0
15004	Isotope_Atom_Count	0
5388879	Hydrogen_Bond_Acceptor_Count	2
88959440	Total_Formal_Charge	0
28892	Rotatable_Bond_Count	12
31200	Total_Formal_Charge	0
12769	Non-hydrogen_Atom_Count	10
1131	Hydrogen_Bond_Acceptor_Count	8
6096206	Mono_Isotopic_Weight	830.24537723
31218	Exact_Mass	426.37091007
21895931	Covalent_Unit_Count	1
62787	Isotope_Atom_Count	0
57681561	Undefined_Atom_Stereo_Count	0
75534860	Exact_Mass	665.30474055
12208570	Defined_Atom_Stereo_Count	0
7680	Isotope_Atom_Count	0
6475274	Isotope_Atom_Count	0
505	Rotatable_Bond_Count	5
221	Hydrogen_Bond_Acceptor_Count	8
12231381	Undefined_Bond_Stereo_Count	0
18517118	Defined_Atom_Stereo_Count	0
19768867	Total_Formal_Charge	0
69275	Undefined_Bond_Stereo_Count	0
4829	Undefined_Atom_Stereo_Count	1
68260574	Total_Formal_Charge	0
66071945	Exact_Mass	111.068413911
33960	Undefined_Bond_Stereo_Count	0
13530219	Mono_Isotopic_Weight	110.073164938
7469	Hydrogen_Bond_Donor_Count	1
12940550	Tautomer_Count	5
22779	Isotope_Atom_Count	0
9997	Structure_Complexity	67.1
12465459	XLogP3-AA	0.4
5311451	Molecular_Weight	685.9
54778	Undefined_Atom_Stereo_Count	0
16757820	TPSA	141
9228	Exact_Mass	119.037113783
5353422	Covalent_Unit_Count	1
23355	TPSA	72.7
39042	Non-hydrogen_Atom_Count	25
56955284	Hydrogen_Bond_Acceptor_Count	2
143713444	Hydrogen_Bond_Acceptor_Count	1
5330175	TPSA	68.7
16219471	Non-hydrogen_Atom_Count	22
3763	Exact_Mass	183.9714332
12085	Molecular_Weight	248.02
93131	Undefined_Atom_Stereo_Count	0
66599893	Tautomer_Count	15
6458	Hydrogen_Bond_Donor_Count	0
132471895	Covalent_Unit_Count	1
520352	XLogP3	1.3
411580	Covalent_Unit_Count	1
208922	Mono_Isotopic_Weight	292.193948774
72959169	Undefined_Bond_Stereo_Count	1
9845622	Hydrogen_Bond_Donor_Count	4
13464587	Molecular_Weight	107.11
74431	Exact_Mass	269.177964357
22188	Undefined_Bond_Stereo_Count	0
12209	Undefined_Atom_Stereo_Count	1
11974440	Undefined_Bond_Stereo_Count	0
20392120	Defined_Atom_Stereo_Count	0
29936	TPSA	0
15614042	Defined_Bond_Stereo_Count	0
117933223	Hydrogen_Bond_Donor_Count	0
96350	Defined_Atom_Stereo_Count	0
30387	Undefined_Bond_Stereo_Count	0
9823820	Undefined_Bond_Stereo_Count	0
45029742	Tautomer_Count	693
81902	Hydrogen_Bond_Acceptor_Count	1
2724032	Undefined_Atom_Stereo_Count	1
29878	Molecular_Weight	183.23
18372143	Undefined_Bond_Stereo_Count	0
76141	Mono_Isotopic_Weight	71.073499291
4117	XLogP3	2.6
442076	Defined_Bond_Stereo_Count	0
80865	Hydrogen_Bond_Donor_Count	0
54084075	Non-hydrogen_Atom_Count	23
2733244	Structure_Complexity	108
72604488	Total_Formal_Charge	0
1059	Isotope_Atom_Count	0
32675	Covalent_Unit_Count	2
5460299	Mono_Isotopic_Weight	146.04533274
12200	Tautomer_Count	1
13487238	Rotatable_Bond_Count	0
64505	Covalent_Unit_Count	1
10660	TPSA	81.8
26651	Molecular_Weight	425.4
129629387	Covalent_Unit_Count	1
16212081	TPSA	59.4
9776841	Isotope_Atom_Count	0
37927	Tautomer_Count	1
12472	Defined_Atom_Stereo_Count	0
42808	Rotatable_Bond_Count	1
10026007	Covalent_Unit_Count	2
16699	Mono_Isotopic_Weight	157.110278721
44318267	Rotatable_Bond_Count	6
58750499	TPSA	29.6
668081	Molecular_Weight	328.4
12695793	Defined_Atom_Stereo_Count	0
16760189	Defined_Bond_Stereo_Count	0
193516	Covalent_Unit_Count	1
230	Total_Formal_Charge	0
10196758	Hydrogen_Bond_Acceptor_Count	11
9299	Mono_Isotopic_Weight	312.9859922
24586	Defined_Bond_Stereo_Count	0
40391	Hydrogen_Bond_Acceptor_Count	2
8314	Defined_Atom_Stereo_Count	0
87282052	Covalent_Unit_Count	1
98650	Defined_Bond_Stereo_Count	0
106358	Undefined_Atom_Stereo_Count	0
44517	Defined_Bond_Stereo_Count	0
102967	Defined_Atom_Stereo_Count	0
3036261	Hydrogen_Bond_Donor_Count	4
798232	Undefined_Atom_Stereo_Count	0
6342	XLogP3-AA	0
8268	Defined_Atom_Stereo_Count	0
23661014	Molecular_Weight	434.9
134826477	Molecular_Weight	765.5
11243969	Hydrogen_Bond_Acceptor_Count	4
14690973	Tautomer_Count	1
66868	Defined_Atom_Stereo_Count	0
38970	Isotope_Atom_Count	0
22	Exact_Mass	132.04225873
23349319	Non-hydrogen_Atom_Count	8
12599701	Structure_Complexity	63.1
136097	Rotatable_Bond_Count	0
119489	TPSA	45.4
60196404	Hydrogen_Bond_Donor_Count	1
14890212	Undefined_Bond_Stereo_Count	0
17873276	TPSA	46.3
148466782	Mono_Isotopic_Weight	113.084063974
13165124	Covalent_Unit_Count	1
3061	Hydrogen_Bond_Acceptor_Count	13
23725095	Tautomer_Count	2
139087394	Defined_Bond_Stereo_Count	0
42648	Total_Formal_Charge	0
53862531	Covalent_Unit_Count	1
34725	Mono_Isotopic_Weight	174.125594432
649	Isotope_Atom_Count	0
6713972	Covalent_Unit_Count	1
34633	Exact_Mass	427.15657746
13578	Total_Formal_Charge	0
96299	Rotatable_Bond_Count	1
53322430	Hydrogen_Bond_Acceptor_Count	6
589863	Molecular_Weight	215.10
11349389	Isotope_Atom_Count	0
16950	Covalent_Unit_Count	1
78452	Tautomer_Count	1
9811611	XLogP3-AA	3.7
9798098	Undefined_Atom_Stereo_Count	0
13574952	TPSA	38.7
20708	Defined_Bond_Stereo_Count	0
446611	Molecular_Weight	180.16
49865703	Hydrogen_Bond_Donor_Count	2
90019869	Rotatable_Bond_Count	0
74040195	TPSA	20.1
22157549	XLogP3-AA	6.7
19083156	Total_Formal_Charge	0
24350	Molecular_Weight	190.45
643798	Covalent_Unit_Count	1
65495	Exact_Mass	458.997796
11174599	Undefined_Atom_Stereo_Count	0
231	Isotope_Atom_Count	0
223866	Hydrogen_Bond_Donor_Count	3
16051921	Non-hydrogen_Atom_Count	26
2206	Molecular_Weight	188.23
564751	Undefined_Atom_Stereo_Count	0
83907	Structure_Complexity	203
9026	Hydrogen_Bond_Donor_Count	1
9930048	Defined_Atom_Stereo_Count	3
12763	Hydrogen_Bond_Donor_Count	0
62881	Mono_Isotopic_Weight	656.34147767
518	Non-hydrogen_Atom_Count	64
137699054	Structure_Complexity	107
3015937	Structure_Complexity	104
129317	TPSA	77.8
19235	TPSA	271
6235	TPSA	43.2
39230	XLogP3	4.5
4329331	Non-hydrogen_Atom_Count	17
207286	XLogP3-AA	1.6
10191021	Isotope_Atom_Count	0
37524	Mono_Isotopic_Weight	156.162648646
1302	Total_Formal_Charge	0
9784	Hydrogen_Bond_Donor_Count	2
82479	Non-hydrogen_Atom_Count	14
22304	Rotatable_Bond_Count	11
91976487	Molecular_Weight	1917.0
92272	TPSA	63.6
34763	Defined_Bond_Stereo_Count	0
5281521	Structure_Complexity	307
6934	XLogP3-AA	0.9
89405665	Mono_Isotopic_Weight	102.079312947
10606708	Defined_Atom_Stereo_Count	0
11865437	Hydrogen_Bond_Donor_Count	8
24351	Rotatable_Bond_Count	6
1783	Structure_Complexity	529
158385	Mono_Isotopic_Weight	1148.43169
5353758	Defined_Atom_Stereo_Count	0
79878	Hydrogen_Bond_Acceptor_Count	5
22924371	Rotatable_Bond_Count	0
122087	TPSA	46.2
79497	Mono_Isotopic_Weight	176.120115130
54692950	Exact_Mass	514.20636393
138117	Rotatable_Bond_Count	5
77317	Mono_Isotopic_Weight	108.068748264
9883149	Hydrogen_Bond_Donor_Count	1
5364495	Hydrogen_Bond_Acceptor_Count	1
46843057	Hydrogen_Bond_Acceptor_Count	5
91754427	Exact_Mass	726.07603
8620	Isotope_Atom_Count	0
6849	Molecular_Weight	173.17
18430414	Hydrogen_Bond_Acceptor_Count	6
71306828	Hydrogen_Bond_Acceptor_Count	14
54685047	Defined_Atom_Stereo_Count	5
826479	Isotope_Atom_Count	0
49867325	Undefined_Atom_Stereo_Count	0
59059061	TPSA	38.7
7680	Undefined_Bond_Stereo_Count	0
849	Exact_Mass	129.078978594
3893	Structure_Complexity	132
4961971	Hydrogen_Bond_Donor_Count	2
46724	Rotatable_Bond_Count	4
10253143	Molecular_Weight	449.3
104181	Hydrogen_Bond_Donor_Count	1
71970	Covalent_Unit_Count	1
60803	XLogP3-AA	3.6
10329254	Exact_Mass	100.088815002
45073437	Hydrogen_Bond_Acceptor_Count	2
86	Rotatable_Bond_Count	1
5367706	XLogP3	4
8402	Covalent_Unit_Count	1
9821945	Hydrogen_Bond_Acceptor_Count	4
11788284	Hydrogen_Bond_Acceptor_Count	1
10378638	Covalent_Unit_Count	1
11954369	Mono_Isotopic_Weight	394.19556569
68873	Undefined_Atom_Stereo_Count	0
212	Molecular_Weight	358.28
20872204	Covalent_Unit_Count	1
11600642	Rotatable_Bond_Count	3
969108	Hydrogen_Bond_Acceptor_Count	3
9949821	Molecular_Weight	340.3
58189	Total_Formal_Charge	0
68321837	Exact_Mass	387.1149827
66073187	Hydrogen_Bond_Acceptor_Count	2
522609	XLogP3-AA	3.1
20542700	Defined_Atom_Stereo_Count	0
1246	Defined_Bond_Stereo_Count	0
9885626	Covalent_Unit_Count	1
22327	Mono_Isotopic_Weight	266.297351212
135505	XLogP3-AA	4.4
2344	Structure_Complexity	340
1072	Isotope_Atom_Count	0
3003791	Hydrogen_Bond_Acceptor_Count	2
13356643	XLogP3-AA	0.4
44341259	Defined_Bond_Stereo_Count	0
542372	Total_Formal_Charge	0
87402170	Isotope_Atom_Count	0
83860	Undefined_Atom_Stereo_Count	6
57403867	Undefined_Bond_Stereo_Count	0
68778068	Hydrogen_Bond_Donor_Count	2
667450	Rotatable_Bond_Count	0
3664740	Molecular_Weight	327.3
15110004	Exact_Mass	114.068079557
20141875	Non-hydrogen_Atom_Count	7
72666	Isotope_Atom_Count	0
37524	Tautomer_Count	1
18431843	Hydrogen_Bond_Donor_Count	0
21828691	Rotatable_Bond_Count	1
129704588	Hydrogen_Bond_Donor_Count	3
19211	Non-hydrogen_Atom_Count	12
65067	Structure_Complexity	197
2303651	XLogP3-AA	0.5
60196393	Defined_Bond_Stereo_Count	0
18369938	Hydrogen_Bond_Acceptor_Count	3
520277	Undefined_Atom_Stereo_Count	0
693241	Hydrogen_Bond_Donor_Count	0
107294	Exact_Mass	116.047344113
59939847	TPSA	49.3
12870	Covalent_Unit_Count	1
58863788	Defined_Bond_Stereo_Count	0
70684314	Undefined_Atom_Stereo_Count	0
53480934	Defined_Atom_Stereo_Count	1
135738851	Defined_Atom_Stereo_Count	14
96665	Covalent_Unit_Count	1
19073515	Undefined_Bond_Stereo_Count	0
70694228	Rotatable_Bond_Count	9
67548	Tautomer_Count	1
20277510	Undefined_Bond_Stereo_Count	0
152445	Rotatable_Bond_Count	1
101642132	Isotope_Atom_Count	0
91185	Defined_Atom_Stereo_Count	0
19549	Non-hydrogen_Atom_Count	13
6895	Non-hydrogen_Atom_Count	9
2412	Covalent_Unit_Count	1
102601697	Molecular_Weight	241.74
46926360	Hydrogen_Bond_Acceptor_Count	7
59481545	Undefined_Atom_Stereo_Count	0
1596	Covalent_Unit_Count	1
137224318	Exact_Mass	500.18484064
8383	Hydrogen_Bond_Donor_Count	0
448925	Rotatable_Bond_Count	4
51347104	Rotatable_Bond_Count	2
68576	Structure_Complexity	645
6214	Isotope_Atom_Count	0
10154017	Non-hydrogen_Atom_Count	7
16667743	Structure_Complexity	484
6866	Hydrogen_Bond_Acceptor_Count	1
45052197	Defined_Atom_Stereo_Count	0
69341308	Hydrogen_Bond_Acceptor_Count	2
4669250	Undefined_Bond_Stereo_Count	0
6918123	Hydrogen_Bond_Donor_Count	3
123609380	Exact_Mass	94.078250319
605283	Tautomer_Count	15
72070	Defined_Bond_Stereo_Count	0
2377	XLogP3-AA	4.1
16170	Covalent_Unit_Count	1
57114132	Total_Formal_Charge	0
131750204	Isotope_Atom_Count	0
75821	Covalent_Unit_Count	1
58091261	TPSA	20.1
165664742	Non-hydrogen_Atom_Count	7
7888	Molecular_Weight	172.26
9570093	Defined_Atom_Stereo_Count	0
13185	Mono_Isotopic_Weight	258.18310931
95837	Defined_Atom_Stereo_Count	0
520721	Isotope_Atom_Count	0
71300750	TPSA	224
134160331	TPSA	21.7
13450484	Non-hydrogen_Atom_Count	8
14353870	TPSA	33.4
80530	Non-hydrogen_Atom_Count	12
3541	Structure_Complexity	570
3083540	Undefined_Atom_Stereo_Count	1
10975450	Undefined_Atom_Stereo_Count	0
2394	Undefined_Atom_Stereo_Count	12
129786694	Covalent_Unit_Count	1
60196432	Mono_Isotopic_Weight	255.831566
56935	Defined_Atom_Stereo_Count	0
54177139	Undefined_Atom_Stereo_Count	0
139154214	Undefined_Bond_Stereo_Count	0
4630913	Defined_Bond_Stereo_Count	0
91511	Tautomer_Count	1
606512	Exact_Mass	369.17630742
71384614	TPSA	66.8
527511	TPSA	4.9
71459762	Isotope_Atom_Count	0
4241466	Mono_Isotopic_Weight	224.177630004
9815299	Undefined_Atom_Stereo_Count	0
87035	Mono_Isotopic_Weight	192.126263138
91378988	Covalent_Unit_Count	1
4212	Mono_Isotopic_Weight	444.20088463
54598431	Isotope_Atom_Count	0
65991760	Undefined_Atom_Stereo_Count	0
50925404	Mono_Isotopic_Weight	442.08644461
11240440	Isotope_Atom_Count	0
12602	Defined_Bond_Stereo_Count	0
13432441	Hydrogen_Bond_Donor_Count	2
22580	Defined_Atom_Stereo_Count	0
9793707	Molecular_Weight	102.09
4535	Defined_Atom_Stereo_Count	0
36027	Undefined_Bond_Stereo_Count	0
9577272	Isotope_Atom_Count	0
98675	Isotope_Atom_Count	0
110862	Structure_Complexity	66.9
5283739	Undefined_Atom_Stereo_Count	0
9006	Structure_Complexity	108
97341	TPSA	12.5
8920	Covalent_Unit_Count	1
10567	Defined_Atom_Stereo_Count	0
95197	Rotatable_Bond_Count	2
20632752	Defined_Bond_Stereo_Count	0
44555481	Defined_Atom_Stereo_Count	1
2733514	Covalent_Unit_Count	1
23690943	Hydrogen_Bond_Acceptor_Count	19
439217	Rotatable_Bond_Count	3
65370	Total_Formal_Charge	0
69862751	Exact_Mass	128.0545783
3276	Hydrogen_Bond_Acceptor_Count	5
2795	Covalent_Unit_Count	1
9855476	Undefined_Atom_Stereo_Count	0
13327309	Hydrogen_Bond_Acceptor_Count	2
24800211	Non-hydrogen_Atom_Count	25
51051629	Undefined_Bond_Stereo_Count	0
8333	Non-hydrogen_Atom_Count	16
755373	Hydrogen_Bond_Acceptor_Count	8
55293	Undefined_Atom_Stereo_Count	0
59508	Non-hydrogen_Atom_Count	28
721456	TPSA	67.4
44576048	Undefined_Atom_Stereo_Count	0
11423561	Hydrogen_Bond_Acceptor_Count	1
131673970	TPSA	85.4
3272	Mono_Isotopic_Weight	456.25118886
30185	Hydrogen_Bond_Acceptor_Count	16
13795008	XLogP3-AA	0.6
81226	Total_Formal_Charge	0
15179723	Covalent_Unit_Count	1
55212037	Mono_Isotopic_Weight	112.027277375
54582513	Total_Formal_Charge	0
2135	Defined_Atom_Stereo_Count	0
139061810	Rotatable_Bond_Count	9
13033	Undefined_Atom_Stereo_Count	0
5281609	Total_Formal_Charge	0
714937	Molecular_Weight	313.2
170286	Hydrogen_Bond_Acceptor_Count	9
60196372	Rotatable_Bond_Count	0
15659	Isotope_Atom_Count	0
527764	Covalent_Unit_Count	1
141395	XLogP3-AA	2.2
135443389	Hydrogen_Bond_Donor_Count	3
2747	Molecular_Weight	262.3
6434217	Covalent_Unit_Count	1
4736	Rotatable_Bond_Count	2
22041940	Hydrogen_Bond_Donor_Count	2
2578	Molecular_Weight	214.05
7083	Total_Formal_Charge	0
14958952	Isotope_Atom_Count	0
347476	XLogP3-AA	0.9
139024568	Defined_Bond_Stereo_Count	0
94834	Total_Formal_Charge	0
9843941	Mono_Isotopic_Weight	400.19982200
13359	TPSA	53.3
23034	Non-hydrogen_Atom_Count	32
20372730	Molecular_Weight	116.16
25273215	TPSA	52.8
135408964	Exact_Mass	452.2230560
132201306	Exact_Mass	1201.84136802
11727234	Rotatable_Bond_Count	1
643544	Exact_Mass	203.192862891
318911	Total_Formal_Charge	0
71357579	Undefined_Atom_Stereo_Count	0
87157524	Structure_Complexity	211
890070	Defined_Bond_Stereo_Count	1
91181590	Mono_Isotopic_Weight	303.14705815
632	Hydrogen_Bond_Donor_Count	2
194699	Defined_Bond_Stereo_Count	0
10693833	Covalent_Unit_Count	1
140560	Tautomer_Count	1
161272	Non-hydrogen_Atom_Count	38
5288075	XLogP3-AA	12.4
4092621	XLogP3-AA	2.2
11077530	Structure_Complexity	379
16541	Hydrogen_Bond_Donor_Count	0
7067772	Rotatable_Bond_Count	2
36272	Hydrogen_Bond_Donor_Count	0
49756	Total_Formal_Charge	0
27112	TPSA	89.7
67832	Hydrogen_Bond_Donor_Count	0
88490	Defined_Bond_Stereo_Count	0
44426760	Defined_Bond_Stereo_Count	0
65108	Defined_Atom_Stereo_Count	0
6608	Rotatable_Bond_Count	2
12305986	XLogP3-AA	1.1
11711595	Isotope_Atom_Count	0
69335004	Defined_Bond_Stereo_Count	0
129834519	Exact_Mass	500.93928053
25674	Defined_Atom_Stereo_Count	1
2724163	Defined_Atom_Stereo_Count	0
23689036	Rotatable_Bond_Count	0
54192233	Total_Formal_Charge	0
13120	Non-hydrogen_Atom_Count	24
92866	Undefined_Atom_Stereo_Count	1
17292	TPSA	75.3
60196261	Non-hydrogen_Atom_Count	24
57298123	Undefined_Atom_Stereo_Count	0
3082052	Covalent_Unit_Count	1
87476740	Undefined_Atom_Stereo_Count	0
6057875	Total_Formal_Charge	0
28430	Isotope_Atom_Count	0
5289547	Defined_Atom_Stereo_Count	6
644109	Defined_Atom_Stereo_Count	5
14803	Defined_Bond_Stereo_Count	0
135532293	Defined_Atom_Stereo_Count	0
2224	Defined_Bond_Stereo_Count	0
123373137	Undefined_Bond_Stereo_Count	0
97375	Undefined_Atom_Stereo_Count	0
53643991	Undefined_Bond_Stereo_Count	0
53754520	Covalent_Unit_Count	1
66707439	Exact_Mass	166.01268994
5280567	Undefined_Bond_Stereo_Count	0
589692	Defined_Bond_Stereo_Count	0
5142487	Rotatable_Bond_Count	2
87168	Tautomer_Count	1
18335911	Total_Formal_Charge	0
8201	Covalent_Unit_Count	1
19972	Defined_Atom_Stereo_Count	4
123783729	Isotope_Atom_Count	0
12186	Structure_Complexity	50.3
10639	Rotatable_Bond_Count	1
289847	Defined_Atom_Stereo_Count	0
8748	Covalent_Unit_Count	1
6015423	Structure_Complexity	570
68739127	Total_Formal_Charge	0
67105	Molecular_Weight	116.20
68149181	Hydrogen_Bond_Donor_Count	1
12436	Structure_Complexity	79.3
12309466	TPSA	54.7
53384442	Molecular_Weight	416.4
9953205	XLogP3-AA	3.4
123875320	Non-hydrogen_Atom_Count	8
206527	Total_Formal_Charge	0
447339	Exact_Mass	369.08303586
92979	Defined_Atom_Stereo_Count	5
15062870	TPSA	41.1
3335	Total_Formal_Charge	0
23579326	Structure_Complexity	481
715	Undefined_Bond_Stereo_Count	0
57328385	Exact_Mass	407.08816112
139088888	Molecular_Weight	921.0
14962	Mono_Isotopic_Weight	623.21150888
156592279	TPSA	145
89767	Structure_Complexity	754
28566812	Defined_Bond_Stereo_Count	0
5057599	Hydrogen_Bond_Donor_Count	2
66970	Covalent_Unit_Count	1
77470	Hydrogen_Bond_Donor_Count	1
23116322	Molecular_Weight	574.7
147630	Defined_Bond_Stereo_Count	0
17178037	Total_Formal_Charge	0
8843	TPSA	17.1
17673	Defined_Atom_Stereo_Count	0
91585	Covalent_Unit_Count	1
135424953	Non-hydrogen_Atom_Count	18
10184937	Rotatable_Bond_Count	8
3001322	Hydrogen_Bond_Donor_Count	3
409409	Hydrogen_Bond_Acceptor_Count	2
54519	Hydrogen_Bond_Donor_Count	2
15234	TPSA	43.4
268	Mono_Isotopic_Weight	1149.35159721
2864	Exact_Mass	584.33491849
93521	Structure_Complexity	326
73797127	Undefined_Bond_Stereo_Count	0
75332	Mono_Isotopic_Weight	142.0297759
13155261	Structure_Complexity	80.2
6435463	Covalent_Unit_Count	1
13192	Structure_Complexity	169
651751	Total_Formal_Charge	0
135403648	Covalent_Unit_Count	1
20387216	Hydrogen_Bond_Donor_Count	0
64992731	TPSA	52.9
46173707	Covalent_Unit_Count	1
20479971	Defined_Atom_Stereo_Count	0
9690	Exact_Mass	277.07144843
29228	Structure_Complexity	172
123670820	Non-hydrogen_Atom_Count	23
600809	TPSA	26
88063521	TPSA	20.2
5288525	Covalent_Unit_Count	1
14852098	Hydrogen_Bond_Acceptor_Count	2
18980	XLogP3-AA	0.5
88153938	Rotatable_Bond_Count	1
3033053	Tautomer_Count	3
153031243	XLogP3-AA	2.2
216326	Undefined_Bond_Stereo_Count	0
2992	Exact_Mass	212.10485899
166775	Hydrogen_Bond_Donor_Count	14
154416437	Rotatable_Bond_Count	0
71094775	Hydrogen_Bond_Donor_Count	8
14885960	Tautomer_Count	3
44561	Rotatable_Bond_Count	0
6805	Mono_Isotopic_Weight	237.935512
933147	Undefined_Atom_Stereo_Count	0
11597868	Undefined_Bond_Stereo_Count	0
19662	Mono_Isotopic_Weight	242.9756919
14911569	Total_Formal_Charge	0
213021	TPSA	52.3
20220682	Rotatable_Bond_Count	4
67005	TPSA	91.6
11332503	Tautomer_Count	1
5287554	Tautomer_Count	27
410865	Structure_Complexity	370
9568637	Rotatable_Bond_Count	6
203329	Non-hydrogen_Atom_Count	38
5373493	Covalent_Unit_Count	1
75783	TPSA	574
5668	Covalent_Unit_Count	1
522002	Undefined_Bond_Stereo_Count	0
74370	Defined_Atom_Stereo_Count	0
19431	Molecular_Weight	273.12
12695	Defined_Bond_Stereo_Count	0
23635314	Hydrogen_Bond_Acceptor_Count	5
22842095	Isotope_Atom_Count	0
14895	Hydrogen_Bond_Acceptor_Count	10
6398969	Isotope_Atom_Count	0
176448	XLogP3-AA	0.6
439215	Defined_Atom_Stereo_Count	4
4342	Defined_Bond_Stereo_Count	0
16219944	Hydrogen_Bond_Donor_Count	5
23677992	Hydrogen_Bond_Acceptor_Count	6
52941462	Defined_Atom_Stereo_Count	2
17754089	Structure_Complexity	148
216294	Exact_Mass	452.21720340
11310242	Covalent_Unit_Count	1
81151	Tautomer_Count	2
214350	Non-hydrogen_Atom_Count	24
123924	TPSA	36
91003779	Hydrogen_Bond_Acceptor_Count	1
12136798	Rotatable_Bond_Count	6
72165228	Hydrogen_Bond_Acceptor_Count	8
518760	Total_Formal_Charge	0
460392	XLogP3-AA	4.1
138148	Mono_Isotopic_Weight	100.088815002
167604	Hydrogen_Bond_Donor_Count	0
3500	Isotope_Atom_Count	0
6450478	Isotope_Atom_Count	0
72685	Hydrogen_Bond_Donor_Count	6
77763	Isotope_Atom_Count	0
5311092	Undefined_Bond_Stereo_Count	0
10498042	Rotatable_Bond_Count	5
24762228	Total_Formal_Charge	0
70882	Defined_Bond_Stereo_Count	0
5254	Isotope_Atom_Count	0
9973981	XLogP3-AA	3.6
67473	Covalent_Unit_Count	1
85673900	TPSA	38
446727	Structure_Complexity	450
369373	Exact_Mass	348.25118886
9812772	Hydrogen_Bond_Donor_Count	2
5363527	Total_Formal_Charge	0
13245088	Molecular_Weight	114.14
520998	Exact_Mass	99.104799419
5385314	Exact_Mass	170.05790880
52654	Hydrogen_Bond_Donor_Count	0
125702	Undefined_Bond_Stereo_Count	0
91495606	Hydrogen_Bond_Donor_Count	0
87517	XLogP3-AA	3
49862460	Isotope_Atom_Count	0
97536	Defined_Atom_Stereo_Count	2
98735	Undefined_Atom_Stereo_Count	0
23925	TPSA	0
97994	XLogP3-AA	2.9
36633	Hydrogen_Bond_Acceptor_Count	5
57452	TPSA	32.3
11908490	Undefined_Atom_Stereo_Count	0
122706285	Hydrogen_Bond_Donor_Count	4
10445549	Isotope_Atom_Count	0
44577611	Hydrogen_Bond_Donor_Count	0
6015	Defined_Atom_Stereo_Count	0
439263	Molecular_Weight	156.26
73351	TPSA	167
71727581	Isotope_Atom_Count	0
98648	Tautomer_Count	1
10920474	Hydrogen_Bond_Donor_Count	1
44629681	TPSA	107
65573725	Non-hydrogen_Atom_Count	7
9572720	Undefined_Atom_Stereo_Count	0
123597800	Covalent_Unit_Count	1
2374	Structure_Complexity	208
91486118	Exact_Mass	113.058911855
139336513	Molecular_Weight	112.17
7914	Structure_Complexity	33.4
57057991	Covalent_Unit_Count	1
635	Covalent_Unit_Count	1
1712	Covalent_Unit_Count	1
444863	TPSA	90.2
81184	Rotatable_Bond_Count	0
11281011	Undefined_Bond_Stereo_Count	0
10341154	Rotatable_Bond_Count	4
18368760	Exact_Mass	116.083729621
101271814	Isotope_Atom_Count	0
11405	Defined_Bond_Stereo_Count	0
22833295	Exact_Mass	766.30363561
76049	Undefined_Bond_Stereo_Count	1
68057	Non-hydrogen_Atom_Count	13
202519	XLogP3	5.4
57370509	XLogP3-AA	18.3
21417010	Structure_Complexity	146
44443938	Mono_Isotopic_Weight	510.16609434
65484	Defined_Atom_Stereo_Count	0
19782039	Isotope_Atom_Count	0
92270	Defined_Bond_Stereo_Count	0
86278352	Tautomer_Count	12
15731	Structure_Complexity	161
512984	Defined_Atom_Stereo_Count	0
54236977	Hydrogen_Bond_Acceptor_Count	1
67643	Molecular_Weight	410.06
45120480	Isotope_Atom_Count	0
13485108	Mono_Isotopic_Weight	112.088815002
449575	Defined_Atom_Stereo_Count	5
9867605	Hydrogen_Bond_Donor_Count	2
43834223	TPSA	97.6
82234717	Exact_Mass	100.063662883
13297684	Covalent_Unit_Count	1
6956367	Isotope_Atom_Count	0
118177912	XLogP3-AA	1.4
16197725	Defined_Bond_Stereo_Count	0
77353	Undefined_Atom_Stereo_Count	0
135398593	Non-hydrogen_Atom_Count	18
71727581	Molecular_Weight	440.9
56910	Undefined_Bond_Stereo_Count	0
5702132	Non-hydrogen_Atom_Count	18
445969	Defined_Bond_Stereo_Count	0
12298	Covalent_Unit_Count	1
22948535	Hydrogen_Bond_Donor_Count	0
9870	TPSA	51.8
86118188	Rotatable_Bond_Count	3
6328594	Undefined_Atom_Stereo_Count	0
10005402	Hydrogen_Bond_Acceptor_Count	9
7274	Defined_Atom_Stereo_Count	0
9948	Mono_Isotopic_Weight	196.088815002
93131	Isotope_Atom_Count	0
625469	Defined_Bond_Stereo_Count	0
31234	Exact_Mass	136.088815002
11658860	Molecular_Weight	195.69
24999143	Exact_Mass	469.28282334
23279315	Structure_Complexity	78.9
91686	Total_Formal_Charge	0
86398	Rotatable_Bond_Count	1
179822	TPSA	60.2
228131	Non-hydrogen_Atom_Count	12
56649463	Isotope_Atom_Count	0
122174048	Mono_Isotopic_Weight	627.8438521
56955067	Hydrogen_Bond_Acceptor_Count	2
161765303	Isotope_Atom_Count	0
2773	Molecular_Weight	159.21
91555191	Undefined_Atom_Stereo_Count	2
5786	XLogP3	3.4
16132443	Rotatable_Bond_Count	41
17381	Hydrogen_Bond_Donor_Count	0
3641960	Rotatable_Bond_Count	1
19843	XLogP3-AA	0.7
66751347	Isotope_Atom_Count	0
95258	Structure_Complexity	174
11630874	Mono_Isotopic_Weight	305.01580707
69826668	Undefined_Atom_Stereo_Count	0
149836	Total_Formal_Charge	0
6919055	Hydrogen_Bond_Acceptor_Count	3
86711	Non-hydrogen_Atom_Count	29
59295969	TPSA	145
71681318	TPSA	69.7
72165	Defined_Atom_Stereo_Count	2
24643	Defined_Atom_Stereo_Count	0
28761	XLogP3-AA	2.2
85989631	Isotope_Atom_Count	0
13398	Defined_Atom_Stereo_Count	0
9284	TPSA	34.6
114853	Non-hydrogen_Atom_Count	1
11040652	Exact_Mass	111.068413911
78224604	Defined_Atom_Stereo_Count	2
55067	Tautomer_Count	1
24807614	Total_Formal_Charge	0
97959	Molecular_Weight	128.21
5778	Molecular_Weight	166.21
22266611	Defined_Bond_Stereo_Count	0
439524	Hydrogen_Bond_Donor_Count	2
39941	Molecular_Weight	301.72
637927	Covalent_Unit_Count	1
18387331	Non-hydrogen_Atom_Count	7
86132	Mono_Isotopic_Weight	291.1138399
36332	Non-hydrogen_Atom_Count	12
8006	Hydrogen_Bond_Acceptor_Count	0
98613	Tautomer_Count	2
643209	Covalent_Unit_Count	1
85570	Rotatable_Bond_Count	0
11698194	Undefined_Bond_Stereo_Count	0
16736529	Defined_Bond_Stereo_Count	0
545093	Hydrogen_Bond_Acceptor_Count	1
40839	Covalent_Unit_Count	1
15513	Rotatable_Bond_Count	3
153767626	TPSA	29.6
73351	Exact_Mass	278.96496419
16687470	Structure_Complexity	936
214321	Isotope_Atom_Count	0
170234	Undefined_Atom_Stereo_Count	0
71389631	Molecular_Weight	108.14
9849425	Hydrogen_Bond_Donor_Count	6
731747	Rotatable_Bond_Count	3
96796	Covalent_Unit_Count	1
64107	Isotope_Atom_Count	0
146681110	Non-hydrogen_Atom_Count	73
5282411	TPSA	87
226205	Isotope_Atom_Count	0
5282438	Structure_Complexity	1060
57750364	XLogP3-AA	1.3
97815	Molecular_Weight	96.13
11779028	Structure_Complexity	472
16412	Structure_Complexity	202
10693	Isotope_Atom_Count	0
8215	XLogP3	9.6
824	Isotope_Atom_Count	0
44576048	Isotope_Atom_Count	0
74777	Isotope_Atom_Count	0
95299	Hydrogen_Bond_Donor_Count	2
11463807	Molecular_Weight	403.3
3885	Exact_Mass	242.094294304
72210	XLogP3-AA	1.4
59050128	Isotope_Atom_Count	0
141096113	Exact_Mass	116.083729621
10972	Covalent_Unit_Count	1
6	Isotope_Atom_Count	0
13438401	Covalent_Unit_Count	1
19892314	Hydrogen_Bond_Acceptor_Count	5
12434155	Rotatable_Bond_Count	1
79704	Hydrogen_Bond_Acceptor_Count	5
13908	Rotatable_Bond_Count	0
19	Molecular_Weight	154.12
24181320	Defined_Bond_Stereo_Count	0
14494974	Hydrogen_Bond_Acceptor_Count	2
118360945	Hydrogen_Bond_Donor_Count	0
9840857	Hydrogen_Bond_Acceptor_Count	3
24529	Molecular_Weight	47.014
3467	Molecular_Weight	477.6
9821383	Mono_Isotopic_Weight	383.20563565
10026007	Hydrogen_Bond_Acceptor_Count	8
752163	Rotatable_Bond_Count	7
49862517	Rotatable_Bond_Count	6
6096207	Structure_Complexity	2540
77328	Undefined_Bond_Stereo_Count	0
54586719	Undefined_Bond_Stereo_Count	0
24502	Tautomer_Count	1
142123799	Covalent_Unit_Count	1
6851	TPSA	152
5367369	Exact_Mass	332.271530387
6672	Mono_Isotopic_Weight	151.063328530
2194	Tautomer_Count	1
53701	Undefined_Bond_Stereo_Count	0
97783	XLogP3-AA	4.2
37384	Total_Formal_Charge	0
7971	TPSA	33.1
3586	TPSA	70.1
14160348	Undefined_Atom_Stereo_Count	0
65836	Defined_Bond_Stereo_Count	0
14862984	Undefined_Bond_Stereo_Count	0
10158453	Hydrogen_Bond_Donor_Count	1
75066	Non-hydrogen_Atom_Count	27
54265	Covalent_Unit_Count	1
12774278	Undefined_Atom_Stereo_Count	0
45933886	Defined_Bond_Stereo_Count	0
48978	Defined_Atom_Stereo_Count	0
22010122	Rotatable_Bond_Count	1
20514195	Exact_Mass	103.063328530
15801221	Undefined_Bond_Stereo_Count	0
146156670	Total_Formal_Charge	0
4369524	Non-hydrogen_Atom_Count	21
22174643	Structure_Complexity	57.1
10039361	Exact_Mass	281.116426730
13727	Mono_Isotopic_Weight	279.1753775
10964417	Defined_Atom_Stereo_Count	0
24841	Defined_Atom_Stereo_Count	0
27234	Isotope_Atom_Count	0
5484735	Tautomer_Count	14
80972	Defined_Bond_Stereo_Count	0
14794988	Undefined_Atom_Stereo_Count	0
236212	Undefined_Bond_Stereo_Count	0
46944253	Hydrogen_Bond_Donor_Count	1
5460588	Defined_Bond_Stereo_Count	0
61585	Undefined_Atom_Stereo_Count	0
13317841	Molecular_Weight	112.13
18000118	Isotope_Atom_Count	0
60050	Hydrogen_Bond_Acceptor_Count	4
656598	Isotope_Atom_Count	0
12074440	Total_Formal_Charge	0
12372797	Defined_Atom_Stereo_Count	0
55297293	Molecular_Weight	98.14
1123	Tautomer_Count	1
1711973	Covalent_Unit_Count	1
76783	Mono_Isotopic_Weight	626.53078201
23519621	Tautomer_Count	1
6274	Total_Formal_Charge	0
11908488	Defined_Bond_Stereo_Count	0
87689	Non-hydrogen_Atom_Count	12
9820008	Defined_Atom_Stereo_Count	0
129236	TPSA	93.5
149164152	Mono_Isotopic_Weight	112.052429494
9861147	Hydrogen_Bond_Donor_Count	1
16683012	Isotope_Atom_Count	0
5315244	Hydrogen_Bond_Acceptor_Count	12
12387212	Isotope_Atom_Count	0
75987092	Rotatable_Bond_Count	3
11396600	Covalent_Unit_Count	1
64934	TPSA	221
5287792	Total_Formal_Charge	0
46931204	Non-hydrogen_Atom_Count	29
136506065	Hydrogen_Bond_Donor_Count	2
536111	Undefined_Bond_Stereo_Count	0
62932	Defined_Bond_Stereo_Count	0
5625	Covalent_Unit_Count	1
6672	Isotope_Atom_Count	0
52230	Molecular_Weight	290.31
40634	TPSA	66.8
122389028	Mono_Isotopic_Weight	376.15220310
76974809	Defined_Atom_Stereo_Count	0
60246	Molecular_Weight	373.9
5282450	Rotatable_Bond_Count	8
83859	Molecular_Weight	439.0
18867	Molecular_Weight	224.26
68402550	Defined_Atom_Stereo_Count	0
12096	Covalent_Unit_Count	1
55287853	Structure_Complexity	89.5
10499446	Isotope_Atom_Count	0
71887	Exact_Mass	248.12732577
74735	Defined_Bond_Stereo_Count	0
67329	Hydrogen_Bond_Acceptor_Count	6
73234850	Hydrogen_Bond_Acceptor_Count	6
19382908	Isotope_Atom_Count	0
5275508	Structure_Complexity	342
10493936	Non-hydrogen_Atom_Count	22
3034368	TPSA	181
2063927	Covalent_Unit_Count	1
53569	Isotope_Atom_Count	0
8765	Hydrogen_Bond_Donor_Count	2
644241	Undefined_Atom_Stereo_Count	0
102590130	Rotatable_Bond_Count	96
20226581	Non-hydrogen_Atom_Count	8
5460029	Hydrogen_Bond_Donor_Count	4
134693315	XLogP3	1.4
11345	Defined_Bond_Stereo_Count	0
70702000	Isotope_Atom_Count	0
443958	Defined_Atom_Stereo_Count	8
550030	Exact_Mass	138.104465066
158524	Hydrogen_Bond_Donor_Count	0
72163100	Covalent_Unit_Count	1
3572	Covalent_Unit_Count	1
22594387	Mono_Isotopic_Weight	96.057514874
6173	Tautomer_Count	1
63093	TPSA	0
53947	Rotatable_Bond_Count	9
66359	Undefined_Atom_Stereo_Count	0
12508473	Hydrogen_Bond_Donor_Count	3
51017507	TPSA	279
6918331	Covalent_Unit_Count	1
18368760	XLogP3-AA	0.4
13035120	Total_Formal_Charge	0
10284	Exact_Mass	145.052763847
20179	Defined_Bond_Stereo_Count	0
55582	Defined_Atom_Stereo_Count	0
11409972	Mono_Isotopic_Weight	529.24130771
20984	XLogP3-AA	0.4
3760	Mono_Isotopic_Weight	413.986024
70684821	TPSA	100
16212610	Undefined_Bond_Stereo_Count	0
12921228	Structure_Complexity	101
42602351	Covalent_Unit_Count	1
2184	Rotatable_Bond_Count	17
9541	Rotatable_Bond_Count	8
3135	Isotope_Atom_Count	0
71713793	Rotatable_Bond_Count	3
6436732	Molecular_Weight	240.34
154557922	Structure_Complexity	90.1
3271820	Defined_Bond_Stereo_Count	0
31191	Defined_Bond_Stereo_Count	0
122077	Total_Formal_Charge	0
24767757	Undefined_Atom_Stereo_Count	0
16078	Rotatable_Bond_Count	4
23029	Mono_Isotopic_Weight	217.94979
92389	Covalent_Unit_Count	1
10975462	Structure_Complexity	70.1
571	Defined_Atom_Stereo_Count	0
587322	Hydrogen_Bond_Donor_Count	0
39056	Mono_Isotopic_Weight	295.157228913
439373	Mono_Isotopic_Weight	178.04773803
162955	Molecular_Weight	378.5
88740	Undefined_Atom_Stereo_Count	0
133121364	Undefined_Atom_Stereo_Count	3
133119158	Undefined_Atom_Stereo_Count	0
137207	TPSA	0
774	Hydrogen_Bond_Acceptor_Count	2
7247	XLogP3-AA	3
1810216	Defined_Bond_Stereo_Count	0
74995	Mono_Isotopic_Weight	210.079312947
71396956	Covalent_Unit_Count	1
5748846	Hydrogen_Bond_Donor_Count	5
10308	TPSA	12
90487295	Defined_Atom_Stereo_Count	0
447458	Rotatable_Bond_Count	9
19428628	Total_Formal_Charge	0
83008	Molecular_Weight	482.6
7600	Non-hydrogen_Atom_Count	15
12691392	Undefined_Atom_Stereo_Count	0
10299410	TPSA	70.2
15239355	TPSA	46.2
14022509	Molecular_Weight	233.30
21691039	Total_Formal_Charge	0
20495	Defined_Bond_Stereo_Count	0
23283113	TPSA	0
24199	Mono_Isotopic_Weight	317.259288680
5150303	Covalent_Unit_Count	2
3000469	Exact_Mass	312.19367399
13248942	Molecular_Weight	114.17
11013485	Tautomer_Count	1
5311501	Rotatable_Bond_Count	4
57249823	XLogP3-AA	1.1
60196372	Mono_Isotopic_Weight	217.977562
72111	Isotope_Atom_Count	0
470202	XLogP3	2.8
21887872	Covalent_Unit_Count	2
5460037	Defined_Atom_Stereo_Count	14
44031	TPSA	16.6
5464265	Tautomer_Count	1
4471892	Covalent_Unit_Count	1
3754	Hydrogen_Bond_Acceptor_Count	5
146921	Defined_Atom_Stereo_Count	0
54726192	Defined_Bond_Stereo_Count	0
135541258	Tautomer_Count	3
975767	Non-hydrogen_Atom_Count	17
162883448	Covalent_Unit_Count	1
77463	XLogP3-AA	1.1
82755	Tautomer_Count	18
12470257	Hydrogen_Bond_Acceptor_Count	2
60196353	Isotope_Atom_Count	0
17769889	Hydrogen_Bond_Donor_Count	1
11101	Rotatable_Bond_Count	1
9886	Undefined_Bond_Stereo_Count	0
6337677	Hydrogen_Bond_Donor_Count	3
23378923	Hydrogen_Bond_Acceptor_Count	1
8377	Defined_Bond_Stereo_Count	0
3086514	Structure_Complexity	379
143500	Hydrogen_Bond_Acceptor_Count	1
6435801	Undefined_Bond_Stereo_Count	0
88398	Covalent_Unit_Count	1
798232	Undefined_Bond_Stereo_Count	0
71695437	Non-hydrogen_Atom_Count	6
5283078	Defined_Atom_Stereo_Count	5
801164	Non-hydrogen_Atom_Count	22
131709225	Mono_Isotopic_Weight	908.38775915
15766	Rotatable_Bond_Count	1
19633	Defined_Bond_Stereo_Count	0
51577	Mono_Isotopic_Weight	207.11067264
8197	Defined_Atom_Stereo_Count	0
4597	Isotope_Atom_Count	0
156580481	Defined_Bond_Stereo_Count	0
61922	Non-hydrogen_Atom_Count	7
514067	Isotope_Atom_Count	0
140123	Hydrogen_Bond_Donor_Count	0
9806615	TPSA	205
543882	TPSA	9.2
19838	Mono_Isotopic_Weight	130.099379685
25271781	Rotatable_Bond_Count	4
6478	XLogP3	5
56988963	Exact_Mass	102.079312947
5288173	Structure_Complexity	598
11477180	Mono_Isotopic_Weight	480.1483669
81476	Total_Formal_Charge	0
57399910	Defined_Atom_Stereo_Count	0
5280954	Total_Formal_Charge	0
5319879	Mono_Isotopic_Weight	356.29265975
14815775	Rotatable_Bond_Count	0
6186	Hydrogen_Bond_Donor_Count	1
11521066	Exact_Mass	88.052429494
16158208	Total_Formal_Charge	0
80618	Isotope_Atom_Count	0
38035	Hydrogen_Bond_Acceptor_Count	0
638105	Molecular_Weight	80.08
131320	Covalent_Unit_Count	1
70523	Total_Formal_Charge	0
23349	Hydrogen_Bond_Acceptor_Count	1
5758	TPSA	37.3
969472	Mono_Isotopic_Weight	388.1050661
55284122	Defined_Atom_Stereo_Count	0
101000161	Tautomer_Count	106
58498	Defined_Atom_Stereo_Count	0
94377	Hydrogen_Bond_Donor_Count	0
6161490	Isotope_Atom_Count	0
101707094	Undefined_Bond_Stereo_Count	0
9901946	Covalent_Unit_Count	1
57454999	Undefined_Atom_Stereo_Count	2
63935844	Undefined_Bond_Stereo_Count	0
76980	Undefined_Bond_Stereo_Count	0
4858	Rotatable_Bond_Count	3
43594	Molecular_Weight	542.6
145994868	TPSA	1390
45933578	Covalent_Unit_Count	1
11198850	Exact_Mass	348.115029749
12358497	TPSA	12.5
23427989	XLogP3-AA	9.1
35329	Defined_Bond_Stereo_Count	0
70789202	Defined_Atom_Stereo_Count	0
441409	Molecular_Weight	484.4
71555	Rotatable_Bond_Count	4
175586	Hydrogen_Bond_Acceptor_Count	10
737769	Molecular_Weight	324.4
45270539	Undefined_Atom_Stereo_Count	0
23617235	Total_Formal_Charge	1
67532	Mono_Isotopic_Weight	336.89492
11527774	Covalent_Unit_Count	1
69532978	Exact_Mass	115.063328530
7618	Covalent_Unit_Count	1
2170	Total_Formal_Charge	0
89886	Rotatable_Bond_Count	8
3005839	Defined_Atom_Stereo_Count	1
3340152	Defined_Atom_Stereo_Count	0
12636246	Structure_Complexity	72.5
100933147	TPSA	277
117479	Defined_Bond_Stereo_Count	0
20562996	Undefined_Bond_Stereo_Count	0
131705759	Exact_Mass	303.14705815
18445434	Isotope_Atom_Count	0
54467044	Total_Formal_Charge	0
58208	Total_Formal_Charge	0
118216	Hydrogen_Bond_Acceptor_Count	1
9549180	Defined_Atom_Stereo_Count	3
90408860	Undefined_Atom_Stereo_Count	0
125520	Molecular_Weight	168.19
7068	TPSA	117
691409	Molecular_Weight	319.34
18175	Defined_Atom_Stereo_Count	0
13806	Undefined_Bond_Stereo_Count	0
5311101	Non-hydrogen_Atom_Count	30
13033	Isotope_Atom_Count	0
77222	Molecular_Weight	564.09
54706667	Exact_Mass	203.03443370
26798	Non-hydrogen_Atom_Count	22
77753	Exact_Mass	212.07452486
6579	TPSA	43.1
5352428	Non-hydrogen_Atom_Count	14
53999929	Isotope_Atom_Count	0
70695705	Covalent_Unit_Count	1
57547	Covalent_Unit_Count	1
12387212	Undefined_Bond_Stereo_Count	0
34364440	Undefined_Atom_Stereo_Count	0
6433164	Tautomer_Count	1
98051216	Hydrogen_Bond_Donor_Count	0
62724	Molecular_Weight	412.3
61007	Undefined_Atom_Stereo_Count	0
18719616	Defined_Atom_Stereo_Count	0
83967	Exact_Mass	312.07799279
22491624	Structure_Complexity	72.5
7465	Undefined_Atom_Stereo_Count	0
12242918	Mono_Isotopic_Weight	24.064197125
164006	Undefined_Atom_Stereo_Count	1
84647647	Defined_Atom_Stereo_Count	0
162302	TPSA	41.5
528143	Undefined_Atom_Stereo_Count	0
45029742	Exact_Mass	302.07903816
232592	Hydrogen_Bond_Acceptor_Count	3
71541098	Molecular_Weight	256.17
6587	Rotatable_Bond_Count	0
53151	Undefined_Atom_Stereo_Count	0
18398	Covalent_Unit_Count	1
23668195	Rotatable_Bond_Count	0
71587637	Isotope_Atom_Count	1
46968	Undefined_Atom_Stereo_Count	0
44595707	Covalent_Unit_Count	1
79693	Undefined_Bond_Stereo_Count	0
53413800	XLogP3-AA	0.4
24848322	Hydrogen_Bond_Acceptor_Count	1
7022	Molecular_Weight	239.25
27124	Undefined_Bond_Stereo_Count	1
25142312	Structure_Complexity	760
5245	Exact_Mass	283.00107569
135403802	Undefined_Atom_Stereo_Count	1
97991	Non-hydrogen_Atom_Count	13
444234	TPSA	29.9
20320770	Hydrogen_Bond_Donor_Count	0
184830	Hydrogen_Bond_Acceptor_Count	2
3754	Covalent_Unit_Count	1
752646	TPSA	110
147336409	Hydrogen_Bond_Acceptor_Count	0
237546	XLogP3-AA	0.1
129195194	Covalent_Unit_Count	1
14815780	Defined_Bond_Stereo_Count	0
153519852	Rotatable_Bond_Count	2
49997	Non-hydrogen_Atom_Count	26
3659	Molecular_Weight	527.5
129866430	Structure_Complexity	208
721938	Undefined_Bond_Stereo_Count	0
91820194	TPSA	121
12512801	Rotatable_Bond_Count	0
12343986	Isotope_Atom_Count	0
20624744	Total_Formal_Charge	0
14444485	Exact_Mass	245.08993720
501640	Hydrogen_Bond_Acceptor_Count	5
8378	Hydrogen_Bond_Acceptor_Count	19
84063996	XLogP3-AA	0.2
101049151	Undefined_Bond_Stereo_Count	0
43231	Defined_Bond_Stereo_Count	0
66588767	Molecular_Weight	582.6
23286	Isotope_Atom_Count	0
65970	Total_Formal_Charge	0
20054868	TPSA	380
454	XLogP3-AA	2.7
53953608	Mono_Isotopic_Weight	114.104465066
97815	Structure_Complexity	117
92938	Rotatable_Bond_Count	8
84849	XLogP3-AA	3.4
16756754	XLogP3-AA	6.3
24533	Structure_Complexity	2
69070	Covalent_Unit_Count	1
61810	Molecular_Weight	188.27
2413	Exact_Mass	281.08743528
6917983	Molecular_Weight	822.9
20526784	Molecular_Weight	111.10
9547919	Structure_Complexity	748
13082452	XLogP3-AA	1
44392161	Non-hydrogen_Atom_Count	34
8581	Tautomer_Count	414
22859	Isotope_Atom_Count	0
118578546	Isotope_Atom_Count	0
21236	Non-hydrogen_Atom_Count	9
54675785	Hydrogen_Bond_Donor_Count	6
1810216	Mono_Isotopic_Weight	84.032362755
68790	TPSA	30.2
12465459	Non-hydrogen_Atom_Count	8
49866022	Covalent_Unit_Count	1
520362	Structure_Complexity	101
4345	Total_Formal_Charge	0
3603	Molecular_Weight	349.6
48041	Total_Formal_Charge	0
64218	Covalent_Unit_Count	1
83466	TPSA	18.5
9689	Tautomer_Count	1
521939	Mono_Isotopic_Weight	268.125200510
72373	TPSA	86.9
9678	Isotope_Atom_Count	0
14786268	Undefined_Atom_Stereo_Count	0
6148	Mono_Isotopic_Weight	275.188529040
4196	Covalent_Unit_Count	1
11612642	Mono_Isotopic_Weight	477.21761793
31193	Molecular_Weight	112.41
5284549	Mono_Isotopic_Weight	324.02722052
4056	Undefined_Atom_Stereo_Count	0
6918524	Defined_Bond_Stereo_Count	0
62556	Defined_Bond_Stereo_Count	0
17178037	XLogP3-AA	0.1
165946121	Non-hydrogen_Atom_Count	8
5154	Covalent_Unit_Count	1
387179	Isotope_Atom_Count	0
214038	Exact_Mass	496.2623340
3855171	XLogP3	0.4
7624	Structure_Complexity	322
6080476	Structure_Complexity	528
6884	Tautomer_Count	1
3532561	Mono_Isotopic_Weight	86.084398327
4744	Undefined_Bond_Stereo_Count	0
9535	Exact_Mass	148.08995782
23663400	Rotatable_Bond_Count	3
35935	Covalent_Unit_Count	1
31721	TPSA	35.2
12577	Exact_Mass	157.00112220
5710148	Total_Formal_Charge	0
9859365	Undefined_Bond_Stereo_Count	0
77372	Covalent_Unit_Count	1
140639440	TPSA	61.2
3084667	Defined_Bond_Stereo_Count	0
687818	Hydrogen_Bond_Donor_Count	2
23064530	Undefined_Atom_Stereo_Count	0
8191	Undefined_Bond_Stereo_Count	0
54291205	Rotatable_Bond_Count	0
5377791	Tautomer_Count	1
146158781	Covalent_Unit_Count	2
131664136	Structure_Complexity	2660
18004024	Isotope_Atom_Count	0
885959	Defined_Atom_Stereo_Count	0
58937356	Structure_Complexity	134
19966769	Isotope_Atom_Count	0
5473310	Mono_Isotopic_Weight	286.04773803
21668201	Hydrogen_Bond_Donor_Count	2
5702065	Hydrogen_Bond_Donor_Count	1
65477	Mono_Isotopic_Weight	219.0581549
154083	Rotatable_Bond_Count	2
54688683	Undefined_Atom_Stereo_Count	0
71360	Defined_Bond_Stereo_Count	0
87870846	Defined_Bond_Stereo_Count	0
18671478	Rotatable_Bond_Count	1
1752534	Rotatable_Bond_Count	3
257950	Defined_Bond_Stereo_Count	0
176453	Structure_Complexity	219
10742787	Hydrogen_Bond_Donor_Count	4
66051	Undefined_Bond_Stereo_Count	0
12971800	Defined_Atom_Stereo_Count	1
118142807	Mono_Isotopic_Weight	126.042927438
71137	Undefined_Bond_Stereo_Count	0
295764	Isotope_Atom_Count	0
57734486	Defined_Bond_Stereo_Count	1
23667630	Non-hydrogen_Atom_Count	30
62485	TPSA	50.9
70693263	Undefined_Atom_Stereo_Count	0
18502	TPSA	29.4
22737404	Undefined_Bond_Stereo_Count	0
36294	Total_Formal_Charge	0
61040	Exact_Mass	182.130679813
285118	Hydrogen_Bond_Acceptor_Count	4
54186	Hydrogen_Bond_Acceptor_Count	4
5371993	Defined_Bond_Stereo_Count	2
3068840	Undefined_Bond_Stereo_Count	0
32767	Total_Formal_Charge	0
124870718	XLogP3-AA	4.1
375	Covalent_Unit_Count	1
88268487	Hydrogen_Bond_Donor_Count	1
10964334	Exact_Mass	1388.93119660
705145	Rotatable_Bond_Count	6
20784557	Undefined_Atom_Stereo_Count	0
3585	Rotatable_Bond_Count	3
527111	Covalent_Unit_Count	1
7714	Hydrogen_Bond_Donor_Count	0
45358158	Covalent_Unit_Count	1
71517867	Defined_Atom_Stereo_Count	1
10476254	TPSA	137
55287417	TPSA	42.2
8733	Tautomer_Count	1
10176082	Defined_Bond_Stereo_Count	0
715568	Total_Formal_Charge	0
70151	Rotatable_Bond_Count	2
24458	Defined_Atom_Stereo_Count	0
23422064	Non-hydrogen_Atom_Count	12
47535	Defined_Bond_Stereo_Count	0
44410959	Structure_Complexity	617
46861540	Hydrogen_Bond_Acceptor_Count	8
321937	Defined_Atom_Stereo_Count	0
9794056	Hydrogen_Bond_Donor_Count	5
405298	Covalent_Unit_Count	1
73339	Exact_Mass	229.05211239
3378440	TPSA	166
120393	Defined_Bond_Stereo_Count	0
101955	Exact_Mass	102.0086696
8008	Hydrogen_Bond_Acceptor_Count	1
22096	Exact_Mass	242.04265265
9161	Undefined_Atom_Stereo_Count	0
11378474	Undefined_Atom_Stereo_Count	0
9282	Defined_Atom_Stereo_Count	0
3033226	Exact_Mass	289.07726451
20692458	Covalent_Unit_Count	1
10108830	TPSA	91.4
49865963	Isotope_Atom_Count	0
156651923	Undefined_Bond_Stereo_Count	0
66602	Defined_Atom_Stereo_Count	0
2735078	Covalent_Unit_Count	1
151114	Rotatable_Bond_Count	1
65092	Exact_Mass	90.01393598
5702238	Hydrogen_Bond_Acceptor_Count	3
5458769	Structure_Complexity	1830
56842208	Hydrogen_Bond_Acceptor_Count	4
23079483	XLogP3-AA	1.9
58528	Total_Formal_Charge	0
115212	Non-hydrogen_Atom_Count	38
23663973	Structure_Complexity	452
208898	XLogP3-AA	7.2
140291701	Defined_Bond_Stereo_Count	0
3333	Exact_Mass	383.0691135
72734319	Undefined_Atom_Stereo_Count	0
11093	TPSA	0
638081	Mono_Isotopic_Weight	162.140850574
96509	Isotope_Atom_Count	0
11513733	Exact_Mass	82.016712692
45085022	Non-hydrogen_Atom_Count	8
123767	Undefined_Bond_Stereo_Count	0
57330419	Defined_Bond_Stereo_Count	0
70695756	Defined_Bond_Stereo_Count	0
366731	Total_Formal_Charge	0
44284481	Hydrogen_Bond_Donor_Count	32
81183	Non-hydrogen_Atom_Count	15
10299876	Structure_Complexity	492
963389	Defined_Atom_Stereo_Count	0
6436158	Exact_Mass	813.45107043
9963057	Tautomer_Count	3
3852430	Hydrogen_Bond_Acceptor_Count	3
16073659	Hydrogen_Bond_Donor_Count	0
71718453	Non-hydrogen_Atom_Count	23
71387	Hydrogen_Bond_Donor_Count	1
9878679	Defined_Bond_Stereo_Count	0
155292829	Hydrogen_Bond_Donor_Count	6
1731	TPSA	40.5
23662264	Hydrogen_Bond_Acceptor_Count	1
57159129	Hydrogen_Bond_Acceptor_Count	3
60196431	Molecular_Weight	361.3
72304	Total_Formal_Charge	0
5362460	XLogP3	2.7
16224	Isotope_Atom_Count	0
7321	Undefined_Bond_Stereo_Count	0
115763542	Rotatable_Bond_Count	1
69733	Undefined_Bond_Stereo_Count	0
156580481	Total_Formal_Charge	0
88598	Tautomer_Count	1
53845104	Undefined_Atom_Stereo_Count	0
12275055	Defined_Atom_Stereo_Count	0
8710	Total_Formal_Charge	0
13348970	Undefined_Atom_Stereo_Count	0
381525	Hydrogen_Bond_Donor_Count	2
3664740	Structure_Complexity	509
36246	Undefined_Bond_Stereo_Count	0
46878363	Exact_Mass	276.1371335
135566069	Non-hydrogen_Atom_Count	108
19768189	Exact_Mass	115.063328530
15130827	Hydrogen_Bond_Acceptor_Count	2
21426352	Total_Formal_Charge	0
66591148	Total_Formal_Charge	0
11404337	Rotatable_Bond_Count	2
456255	Undefined_Atom_Stereo_Count	0
17238	Non-hydrogen_Atom_Count	7
122403016	Hydrogen_Bond_Acceptor_Count	97
131708911	Hydrogen_Bond_Donor_Count	1
15482356	Non-hydrogen_Atom_Count	8
705467	Total_Formal_Charge	0
135942119	TPSA	297
135544142	Structure_Complexity	748
101543	Structure_Complexity	517
41575	Defined_Atom_Stereo_Count	0
9955951	Molecular_Weight	461.5
5353635	Defined_Bond_Stereo_Count	1
25022340	Molecular_Weight	561.7
23187765	Rotatable_Bond_Count	2
3180466	Defined_Atom_Stereo_Count	0
90066559	Undefined_Atom_Stereo_Count	2
129861481	Rotatable_Bond_Count	0
115107	XLogP3	2
71773445	TPSA	297
165339	Tautomer_Count	1
17825297	Total_Formal_Charge	0
8818	Molecular_Weight	142.20
524671	Non-hydrogen_Atom_Count	8
138891	Undefined_Atom_Stereo_Count	1
51556	Mono_Isotopic_Weight	437.9900194
67108207	Non-hydrogen_Atom_Count	21
82111162	Exact_Mass	115.099714038
89159	Covalent_Unit_Count	1
2724640	Defined_Bond_Stereo_Count	0
472946	Hydrogen_Bond_Donor_Count	1
23702	Total_Formal_Charge	0
11717001	Total_Formal_Charge	0
123525	Tautomer_Count	1
19077486	Undefined_Bond_Stereo_Count	0
86836	Molecular_Weight	217.22
71309028	Undefined_Atom_Stereo_Count	0
6254	Mono_Isotopic_Weight	395.97220756
8543	Non-hydrogen_Atom_Count	19
24871329	Mono_Isotopic_Weight	639.8696636
57442010	TPSA	116
83904778	TPSA	26.3
522621	Structure_Complexity	143
12040	Hydrogen_Bond_Donor_Count	1
5281417	Non-hydrogen_Atom_Count	24
124226574	Undefined_Bond_Stereo_Count	0
21650627	Undefined_Atom_Stereo_Count	1
7808	Hydrogen_Bond_Donor_Count	1
46936900	TPSA	169
10091748	Defined_Atom_Stereo_Count	0
10654175	Covalent_Unit_Count	1
522105	Structure_Complexity	70.8
202519	Exact_Mass	346.21440943
12582	Isotope_Atom_Count	0
2318	Undefined_Bond_Stereo_Count	0
6058	Structure_Complexity	10
1712094	Rotatable_Bond_Count	3
12995	Defined_Atom_Stereo_Count	0
197712	Structure_Complexity	475
9001	Total_Formal_Charge	0
9942133	Structure_Complexity	101
16718576	Covalent_Unit_Count	1
1957	Defined_Atom_Stereo_Count	0
2787	Covalent_Unit_Count	1
122362413	TPSA	202
11106352	Undefined_Bond_Stereo_Count	0
18303	XLogP3-AA	0.3
6024	Covalent_Unit_Count	1
15826366	Defined_Atom_Stereo_Count	0
44419235	Defined_Bond_Stereo_Count	0
68007244	Total_Formal_Charge	0
55284589	Undefined_Bond_Stereo_Count	0
4615423	Non-hydrogen_Atom_Count	12
143670559	Isotope_Atom_Count	0
142559332	Undefined_Atom_Stereo_Count	0
64628	Structure_Complexity	813
3696	Non-hydrogen_Atom_Count	21
18407200	Undefined_Atom_Stereo_Count	0
21680	Tautomer_Count	1
141093	Non-hydrogen_Atom_Count	6
74120	Defined_Bond_Stereo_Count	0
15093812	Undefined_Bond_Stereo_Count	0
67629	Hydrogen_Bond_Acceptor_Count	1
70943	TPSA	25.8
20190406	Undefined_Bond_Stereo_Count	0
9552077	Rotatable_Bond_Count	0
136231689	Defined_Bond_Stereo_Count	0
9548602	Hydrogen_Bond_Acceptor_Count	6
153088	Hydrogen_Bond_Acceptor_Count	5
14113	Defined_Bond_Stereo_Count	0
75987156	Hydrogen_Bond_Donor_Count	2
47104	Structure_Complexity	350
94233	Tautomer_Count	41
13551	Undefined_Bond_Stereo_Count	0
77323	XLogP3	1.1
90408860	Isotope_Atom_Count	0
14581	Non-hydrogen_Atom_Count	15
23689390	TPSA	81.6
41211	Non-hydrogen_Atom_Count	23
87820	Structure_Complexity	206
16218636	Exact_Mass	307.26401645
21168	Undefined_Atom_Stereo_Count	0
2581	Tautomer_Count	1
134129858	Undefined_Atom_Stereo_Count	0
104865206	Rotatable_Bond_Count	2
9723	Mono_Isotopic_Weight	278.17427596
91667835	Rotatable_Bond_Count	4
23566493	Rotatable_Bond_Count	0
24180709	Hydrogen_Bond_Donor_Count	4
15356533	TPSA	46.2
12185	Rotatable_Bond_Count	3
9892539	Hydrogen_Bond_Acceptor_Count	7
22602670	Defined_Atom_Stereo_Count	0
5122	Hydrogen_Bond_Acceptor_Count	3
69578	Undefined_Bond_Stereo_Count	0
11593431	Hydrogen_Bond_Acceptor_Count	2
20936	Undefined_Bond_Stereo_Count	0
129812487	Structure_Complexity	83.6
14844402	Mono_Isotopic_Weight	526.2023205
55289386	Total_Formal_Charge	0
13853	Molecular_Weight	86.13
90471068	Mono_Isotopic_Weight	376.20250208
66456	Undefined_Atom_Stereo_Count	0
54438	Defined_Bond_Stereo_Count	0
12004418	Exact_Mass	293.12766012
68846936	Total_Formal_Charge	0
7617	Tautomer_Count	1
135398604	Hydrogen_Bond_Acceptor_Count	10
12579106	Structure_Complexity	77.4
61053	TPSA	55.4
3676	TPSA	32.3
73072210	Mono_Isotopic_Weight	412.370516150
5289501	Defined_Atom_Stereo_Count	0
53299334	Structure_Complexity	520
36976	TPSA	108
133611834	Defined_Bond_Stereo_Count	1
68013637	Hydrogen_Bond_Donor_Count	8
123406207	Undefined_Bond_Stereo_Count	0
126624267	Defined_Bond_Stereo_Count	0
121891	Undefined_Atom_Stereo_Count	0
408714	Structure_Complexity	352
28459	Rotatable_Bond_Count	7
3328	Defined_Bond_Stereo_Count	0
11829373	Total_Formal_Charge	0
136582	Exact_Mass	100.088815002
984454	Structure_Complexity	738
74652199	Structure_Complexity	215
122670	Molecular_Weight	159.19
60196380	Molecular_Weight	270.16
14298876	Hydrogen_Bond_Acceptor_Count	2
16832	Covalent_Unit_Count	1
4439	Molecular_Weight	751.0
97727	Molecular_Weight	271.8
11417567	TPSA	68
1549521	Rotatable_Bond_Count	2
61524	Defined_Bond_Stereo_Count	0
16212959	Defined_Atom_Stereo_Count	4
16180	Structure_Complexity	189
446210	Exact_Mass	493.99916019
91612119	Covalent_Unit_Count	1
7122	Isotope_Atom_Count	0
54726193	Tautomer_Count	1000
15090448	Isotope_Atom_Count	0
35378	Exact_Mass	347.0924357
12561666	Hydrogen_Bond_Acceptor_Count	1
15559221	Defined_Bond_Stereo_Count	0
24760653	Rotatable_Bond_Count	5
30251	Defined_Atom_Stereo_Count	0
4110	Defined_Atom_Stereo_Count	0
643221	Defined_Bond_Stereo_Count	0
135410875	Hydrogen_Bond_Acceptor_Count	7
57123750	Non-hydrogen_Atom_Count	85
118318030	Covalent_Unit_Count	1
118701745	XLogP3-AA	4.2
17455	Exact_Mass	394.19556569
10181898	Covalent_Unit_Count	1
156599239	Total_Formal_Charge	0
3855171	Structure_Complexity	375
1087331	Defined_Bond_Stereo_Count	0
4012	Molecular_Weight	790.8
4712728	Hydrogen_Bond_Donor_Count	1
31779	TPSA	101
2579	Total_Formal_Charge	0
135451156	Hydrogen_Bond_Acceptor_Count	3
211	XLogP3-AA	0.6
94684	Hydrogen_Bond_Acceptor_Count	1
13786729	Exact_Mass	111.068413911
55423	Defined_Bond_Stereo_Count	0
16721	Non-hydrogen_Atom_Count	19
12285877	Tautomer_Count	1
3636092	Structure_Complexity	205
5320621	Isotope_Atom_Count	0
51629	Hydrogen_Bond_Acceptor_Count	3
60196271	Hydrogen_Bond_Acceptor_Count	16
141329202	Hydrogen_Bond_Donor_Count	0
11416	Structure_Complexity	56.4
11621437	Covalent_Unit_Count	1
13546	Rotatable_Bond_Count	2
53701416	Covalent_Unit_Count	1
9234	Rotatable_Bond_Count	0
260917	Exact_Mass	110.073164938
84682	Molecular_Weight	74.12
129709636	Covalent_Unit_Count	1
117488	Structure_Complexity	330
45528	Hydrogen_Bond_Acceptor_Count	3
146962972	Exact_Mass	97.089149355
71337442	Undefined_Bond_Stereo_Count	0
8573	XLogP3-AA	2.5
126737575	Hydrogen_Bond_Donor_Count	1
14897389	Mono_Isotopic_Weight	114.031694049
9854073	Hydrogen_Bond_Donor_Count	3
11206059	Rotatable_Bond_Count	4
23667546	Covalent_Unit_Count	2
15748	Undefined_Atom_Stereo_Count	1
23114997	Exact_Mass	100.088815002
61124202	Molecular_Weight	113.12
4055	Undefined_Bond_Stereo_Count	0
3034394	Exact_Mass	290.260965704
12754519	Isotope_Atom_Count	0
18510	Isotope_Atom_Count	0
20583864	Non-hydrogen_Atom_Count	8
3527810	Hydrogen_Bond_Acceptor_Count	2
44442065	Defined_Bond_Stereo_Count	0
6273649	Undefined_Atom_Stereo_Count	0
60287	Exact_Mass	263.188529040
9265	Mono_Isotopic_Weight	98.109550447
2729005	Isotope_Atom_Count	0
69631	TPSA	70.1
10907686	Exact_Mass	110.073164938
295965	Defined_Atom_Stereo_Count	0
252499	TPSA	38.7
11546620	Structure_Complexity	680
123870	TPSA	26
7636	Molecular_Weight	184.27
71681009	Total_Formal_Charge	0
16066663	Covalent_Unit_Count	1
12563346	Mono_Isotopic_Weight	142.00885060
8433	TPSA	34.1
9847494	Isotope_Atom_Count	0
163284980	Total_Formal_Charge	0
6477182	Structure_Complexity	596
2321	Structure_Complexity	805
6610318	XLogP3-AA	1.2
39176	Exact_Mass	114.104465066
12487262	Hydrogen_Bond_Donor_Count	1
3037234	Defined_Atom_Stereo_Count	0
118654527	XLogP3-AA	2.5
70120	Defined_Atom_Stereo_Count	0
637776	TPSA	18.5
9793714	Defined_Bond_Stereo_Count	0
23630065	Undefined_Atom_Stereo_Count	0
13285795	Total_Formal_Charge	0
77245	Structure_Complexity	218
10839	Defined_Bond_Stereo_Count	0
71312335	Rotatable_Bond_Count	11
24977223	Structure_Complexity	124
115011062	Molecular_Weight	114.14
104556	Non-hydrogen_Atom_Count	15
17310	Molecular_Weight	122.19
6943	Undefined_Atom_Stereo_Count	0
13200	Exact_Mass	108.057514874
81099	Undefined_Atom_Stereo_Count	0
941361	Non-hydrogen_Atom_Count	30
14236864	Hydrogen_Bond_Donor_Count	2
10034581	XLogP3-AA	0.9
53486170	Covalent_Unit_Count	2
25244355	Undefined_Bond_Stereo_Count	0
58143010	Undefined_Atom_Stereo_Count	0
5284468	Undefined_Bond_Stereo_Count	0
73896891	Defined_Atom_Stereo_Count	12
45484851	XLogP3-AA	5.1
8289	Rotatable_Bond_Count	6
22857281	Exact_Mass	157.104085577
87424384	Defined_Bond_Stereo_Count	0
65709	Rotatable_Bond_Count	8
6443047	Isotope_Atom_Count	0
9795547	Non-hydrogen_Atom_Count	20
55264361	Mono_Isotopic_Weight	99.068413911
58233	Rotatable_Bond_Count	5
73566	Defined_Bond_Stereo_Count	0
71306404	Covalent_Unit_Count	1
21037713	Isotope_Atom_Count	0
11062312	Hydrogen_Bond_Acceptor_Count	1
10898638	Hydrogen_Bond_Acceptor_Count	1
2762	TPSA	88.4
149433	Rotatable_Bond_Count	1
6424	Covalent_Unit_Count	1
11986122	Hydrogen_Bond_Acceptor_Count	8
544	Hydrogen_Bond_Donor_Count	0
140554	Molecular_Weight	112.17
265776	Defined_Bond_Stereo_Count	0
8766	Undefined_Atom_Stereo_Count	0
129317940	Hydrogen_Bond_Acceptor_Count	7
1305	Exact_Mass	466.33077660
118176200	Defined_Bond_Stereo_Count	0
15450	Total_Formal_Charge	0
74978	Non-hydrogen_Atom_Count	18
138669688	Exact_Mass	764.3738198
69391	XLogP3-AA	0.4
131664126	Defined_Atom_Stereo_Count	0
6450830	Undefined_Bond_Stereo_Count	0
11742	Isotope_Atom_Count	0
75240	Total_Formal_Charge	0
7174	Molecular_Weight	179.22
21893333	Defined_Bond_Stereo_Count	0
7616	Molecular_Weight	143.27
5311096	Total_Formal_Charge	0
129734884	Structure_Complexity	736
2200	Hydrogen_Bond_Acceptor_Count	2
2795115	Hydrogen_Bond_Acceptor_Count	2
73415816	Exact_Mass	482.0563357
7266	Total_Formal_Charge	0
91563	Isotope_Atom_Count	0
22022636	Defined_Bond_Stereo_Count	0
68976065	Covalent_Unit_Count	1
18795105	Isotope_Atom_Count	0
8360	Defined_Bond_Stereo_Count	0
163853278	XLogP3-AA	0.7
9253	Structure_Complexity	11.6
34526	Hydrogen_Bond_Donor_Count	0
126480242	Non-hydrogen_Atom_Count	28
24729360	Exact_Mass	358.1547017
6436730	Molecular_Weight	871.0
129803162	Total_Formal_Charge	0
136809	Defined_Bond_Stereo_Count	0
42665	Covalent_Unit_Count	1
90473211	Total_Formal_Charge	0
13245702	Rotatable_Bond_Count	0
11993	Exact_Mass	237.90463
57394706	Structure_Complexity	648
20387208	Hydrogen_Bond_Acceptor_Count	1
62731702	Total_Formal_Charge	0
2759	XLogP3-AA	1.5
27879	Exact_Mass	303.14705815
11693521	Hydrogen_Bond_Acceptor_Count	13
151592	Defined_Atom_Stereo_Count	0
18726540	Undefined_Atom_Stereo_Count	2
261555	Mono_Isotopic_Weight	444.36034539
46884664	Hydrogen_Bond_Acceptor_Count	7
6437875	Undefined_Bond_Stereo_Count	0
6335986	Hydrogen_Bond_Acceptor_Count	11
9064	XLogP3	0.4
2471	Hydrogen_Bond_Donor_Count	3
10238746	Exact_Mass	435.28857743
572516	Defined_Bond_Stereo_Count	0
11271640	Non-hydrogen_Atom_Count	28
16133793	Isotope_Atom_Count	0
14385	Covalent_Unit_Count	1
57249823	Structure_Complexity	148
11717074	Isotope_Atom_Count	0
12936730	Isotope_Atom_Count	0
185457	Covalent_Unit_Count	1
429571	Hydrogen_Bond_Acceptor_Count	4
15122	Exact_Mass	123.9846556
151994	Undefined_Atom_Stereo_Count	0
165157	Hydrogen_Bond_Donor_Count	16
11154496	Defined_Atom_Stereo_Count	0
11947765	Structure_Complexity	161
133083079	Undefined_Atom_Stereo_Count	0
11040632	Defined_Atom_Stereo_Count	0
8411	Covalent_Unit_Count	1
19354	Tautomer_Count	1
443100	Exact_Mass	453.1700346
44205240	Defined_Bond_Stereo_Count	0
90997437	Covalent_Unit_Count	1
12634653	Exact_Mass	80.062600255
61523	Exact_Mass	164.120115130
25273215	Exact_Mass	470.2322780
26033	Tautomer_Count	1
15559706	Hydrogen_Bond_Donor_Count	0
5246202	Molecular_Weight	290.23
11962143	Undefined_Atom_Stereo_Count	0
28876	Structure_Complexity	363
108043	Undefined_Bond_Stereo_Count	0
57397776	Covalent_Unit_Count	1
3918	Molecular_Weight	257.37
726050	Hydrogen_Bond_Acceptor_Count	2
5460389	Hydrogen_Bond_Donor_Count	2
7923	Undefined_Atom_Stereo_Count	0
5369162	Total_Formal_Charge	0
397	Rotatable_Bond_Count	2
5287971	Rotatable_Bond_Count	40
13198341	Hydrogen_Bond_Donor_Count	3
126437	XLogP3-AA	2.2
21778241	Covalent_Unit_Count	1
18406186	Rotatable_Bond_Count	5
14866	XLogP3	2.1
47750	Undefined_Atom_Stereo_Count	0
6422124	XLogP3-AA	2.5
136835	Structure_Complexity	84.2
25203188	Hydrogen_Bond_Acceptor_Count	12
15569631	Isotope_Atom_Count	0
591683	Defined_Atom_Stereo_Count	0
21124737	Undefined_Bond_Stereo_Count	0
134129158	Molecular_Weight	338.22
44578537	Molecular_Weight	336.4
520362	XLogP3-AA	2.6
6918457	Hydrogen_Bond_Acceptor_Count	7
49750	Hydrogen_Bond_Donor_Count	1
8271	Undefined_Bond_Stereo_Count	0
73847	Hydrogen_Bond_Donor_Count	0
95890	Hydrogen_Bond_Acceptor_Count	1
438424	Structure_Complexity	571
44392103	Covalent_Unit_Count	1
16135	Total_Formal_Charge	0
2730	Undefined_Bond_Stereo_Count	0
11162	Defined_Atom_Stereo_Count	0
739	Structure_Complexity	155
161830	Defined_Bond_Stereo_Count	0
13632	Rotatable_Bond_Count	0
57704514	Defined_Bond_Stereo_Count	0
3710	Defined_Bond_Stereo_Count	0
65522	Hydrogen_Bond_Acceptor_Count	3
134693315	Covalent_Unit_Count	1
18918215	Defined_Bond_Stereo_Count	0
31343	Hydrogen_Bond_Acceptor_Count	5
20349001	Covalent_Unit_Count	1
136703	Covalent_Unit_Count	1
12513438	Undefined_Atom_Stereo_Count	0
20605239	Exact_Mass	85.052763847
58877	XLogP3-AA	3.4
11582651	XLogP3-AA	3.7
139113917	Exact_Mass	576.15109601
150067	Defined_Atom_Stereo_Count	0
235738	Hydrogen_Bond_Acceptor_Count	3
4739262	Structure_Complexity	475
3792939	Exact_Mass	101.904340
61199	Total_Formal_Charge	0
13165569	Structure_Complexity	103
73292	Isotope_Atom_Count	0
150067	Rotatable_Bond_Count	2
12313776	Undefined_Atom_Stereo_Count	0
12873460	Isotope_Atom_Count	0
100030	XLogP3-AA	0.2
1032	Defined_Atom_Stereo_Count	0
444732	Defined_Bond_Stereo_Count	2
237031	Mono_Isotopic_Weight	112.063662883
56965681	Undefined_Bond_Stereo_Count	0
734215	Hydrogen_Bond_Donor_Count	1
12807	Isotope_Atom_Count	0
25142310	Defined_Bond_Stereo_Count	0
538774	Defined_Atom_Stereo_Count	0
20392	Defined_Atom_Stereo_Count	0
44516953	TPSA	128
14481877	Covalent_Unit_Count	1
1219	Exact_Mass	247.193614421
5359423	Total_Formal_Charge	0
16123056	Total_Formal_Charge	0
156599213	Defined_Atom_Stereo_Count	6
17549	Mono_Isotopic_Weight	224.04332136
133082588	Covalent_Unit_Count	2
36084	Undefined_Atom_Stereo_Count	0
890070	Rotatable_Bond_Count	3
19801	Mono_Isotopic_Weight	154.135765193
16738693	Defined_Atom_Stereo_Count	2
6618895	Undefined_Atom_Stereo_Count	0
3796816	Total_Formal_Charge	0
5481173	Non-hydrogen_Atom_Count	37
5284585	Hydrogen_Bond_Acceptor_Count	5
13396323	Molecular_Weight	103.16
70476156	Hydrogen_Bond_Donor_Count	3
6323264	Total_Formal_Charge	0
23934560	XLogP3-AA	2.6
15001198	Exact_Mass	235.84260
5461103	Defined_Bond_Stereo_Count	0
133562630	Mono_Isotopic_Weight	815.44559113
126569786	Hydrogen_Bond_Acceptor_Count	12
15493441	Hydrogen_Bond_Donor_Count	0
5479052	Rotatable_Bond_Count	9
9863	Covalent_Unit_Count	1
71624469	Hydrogen_Bond_Acceptor_Count	4
720561	Structure_Complexity	183
195432	Tautomer_Count	1
8418	Mono_Isotopic_Weight	178.078250319
1548968	Undefined_Bond_Stereo_Count	0
18618629	Isotope_Atom_Count	0
69571381	Defined_Atom_Stereo_Count	0
219357	Undefined_Bond_Stereo_Count	0
274080	Non-hydrogen_Atom_Count	29
24014	Undefined_Atom_Stereo_Count	0
70848	Rotatable_Bond_Count	2
16131191	Undefined_Bond_Stereo_Count	0
2115	Isotope_Atom_Count	0
29831	Total_Formal_Charge	0
53993017	Undefined_Bond_Stereo_Count	0
626607	Defined_Bond_Stereo_Count	0
6410734	Non-hydrogen_Atom_Count	24
702695	Undefined_Atom_Stereo_Count	0
1071	Undefined_Bond_Stereo_Count	4
161664	Undefined_Bond_Stereo_Count	0
82740	TPSA	317
34624	XLogP3-AA	3.1
1331	Exact_Mass	282.09728894
42108	Rotatable_Bond_Count	4
454202	Rotatable_Bond_Count	7
66041	Molecular_Weight	130.19
28610	Defined_Bond_Stereo_Count	0
9601	Total_Formal_Charge	0
655960	Molecular_Weight	426.5
14517	Non-hydrogen_Atom_Count	9
135409384	Undefined_Atom_Stereo_Count	2
53555	Rotatable_Bond_Count	5
118008485	Isotope_Atom_Count	0
12149091	Mono_Isotopic_Weight	556.381749540
68604	Covalent_Unit_Count	1
10041070	Defined_Bond_Stereo_Count	0
7301	Hydrogen_Bond_Donor_Count	0
854418	Total_Formal_Charge	0
123304022	Defined_Bond_Stereo_Count	0
13601742	Non-hydrogen_Atom_Count	8
3033865	Defined_Bond_Stereo_Count	0
55752	Covalent_Unit_Count	1
45008	Non-hydrogen_Atom_Count	19
5284631	Undefined_Bond_Stereo_Count	0
15980798	Defined_Bond_Stereo_Count	0
97289	Undefined_Atom_Stereo_Count	0
60753	XLogP3-AA	4
5169496	Non-hydrogen_Atom_Count	11
75646	TPSA	26
44452442	Undefined_Atom_Stereo_Count	1
398579	Exact_Mass	493.16262
25608	Tautomer_Count	1
5281951	Undefined_Atom_Stereo_Count	0
15061530	Undefined_Atom_Stereo_Count	0
11788284	Defined_Bond_Stereo_Count	0
14800	Undefined_Atom_Stereo_Count	0
14268486	Total_Formal_Charge	0
5323974	Covalent_Unit_Count	1
163781	Rotatable_Bond_Count	39
76590	Mono_Isotopic_Weight	239.82440
137268	Exact_Mass	103.042199164
106824195	Hydrogen_Bond_Donor_Count	0
12241264	Isotope_Atom_Count	0
5289295	Total_Formal_Charge	0
57519510	Exact_Mass	490.22295748
21889836	Defined_Bond_Stereo_Count	0
11167	TPSA	44.4
130394	Molecular_Weight	409.4
101742	Tautomer_Count	2
3034424	Exact_Mass	196.146329876
145720674	Hydrogen_Bond_Acceptor_Count	20
13804	Molecular_Weight	488.32
58604354	Undefined_Atom_Stereo_Count	2
5281613	Defined_Atom_Stereo_Count	10
86017	Hydrogen_Bond_Acceptor_Count	4
13794997	Defined_Atom_Stereo_Count	0
59072033	Mono_Isotopic_Weight	416.32904526
11407412	Hydrogen_Bond_Donor_Count	1
123298786	Covalent_Unit_Count	1
638759	Defined_Atom_Stereo_Count	0
129456	Undefined_Atom_Stereo_Count	2
176873	Exact_Mass	588.30199564
95559	Undefined_Atom_Stereo_Count	1
12395	Total_Formal_Charge	0
476	Isotope_Atom_Count	0
21574	Undefined_Bond_Stereo_Count	0
54581630	Isotope_Atom_Count	0
60510	Hydrogen_Bond_Acceptor_Count	2
90628	Exact_Mass	332.152604
135473834	Non-hydrogen_Atom_Count	33
5463858	Exact_Mass	303.14705815
115358	Covalent_Unit_Count	1
46780152	XLogP3-AA	5.1
121922	Covalent_Unit_Count	1
69631	Total_Formal_Charge	0
67825	Defined_Bond_Stereo_Count	0
18606	TPSA	60.7
991	TPSA	106
6276645	Total_Formal_Charge	0
137347968	Undefined_Bond_Stereo_Count	0
1376	Total_Formal_Charge	0
40500	Tautomer_Count	1
17899	Exact_Mass	226.266051085
87844	Undefined_Bond_Stereo_Count	0
90864	Covalent_Unit_Count	1
9548696	Molecular_Weight	52.07
16639	Mono_Isotopic_Weight	232.121177757
424	Covalent_Unit_Count	1
57053600	Isotope_Atom_Count	0
135565884	Undefined_Bond_Stereo_Count	0
68260833	Isotope_Atom_Count	0
440466	Structure_Complexity	711
90258	Covalent_Unit_Count	1
69033681	Covalent_Unit_Count	1
134767951	Hydrogen_Bond_Donor_Count	1
25008	Covalent_Unit_Count	1
5382104	Rotatable_Bond_Count	8
67452149	Rotatable_Bond_Count	0
519642	Hydrogen_Bond_Donor_Count	0
141545	Non-hydrogen_Atom_Count	8
36980	Molecular_Weight	223.09
129652160	TPSA	132
7667	Rotatable_Bond_Count	1
92131818	Undefined_Bond_Stereo_Count	0
78468	TPSA	52.6
11673085	Hydrogen_Bond_Donor_Count	2
36547	Mono_Isotopic_Weight	270.08920892
135398698	Hydrogen_Bond_Acceptor_Count	5
54684461	Exact_Mass	462.16383041
39765	Tautomer_Count	1
10820479	Hydrogen_Bond_Donor_Count	1
53387026	Undefined_Bond_Stereo_Count	0
25093485	TPSA	79.4
139055434	Hydrogen_Bond_Acceptor_Count	13
115071571	Exact_Mass	114.068079557
163156	Total_Formal_Charge	0
89559	Molecular_Weight	154.21
6022	Molecular_Weight	427.20
9975824	Molecular_Weight	361.16
15889752	Undefined_Atom_Stereo_Count	2
169794	Molecular_Weight	630.9
65422334	Isotope_Atom_Count	0
133587580	Hydrogen_Bond_Acceptor_Count	14
117715670	Total_Formal_Charge	0
67938	Rotatable_Bond_Count	0
5858	Defined_Atom_Stereo_Count	6
63245	Defined_Bond_Stereo_Count	0
94398	Defined_Atom_Stereo_Count	0
57358782	Undefined_Atom_Stereo_Count	0
102004933	Defined_Bond_Stereo_Count	0
3158	Rotatable_Bond_Count	3
702695	Defined_Bond_Stereo_Count	1
556209	Non-hydrogen_Atom_Count	7
5458769	XLogP3-AA	4
86231890	TPSA	9.2
121249	Defined_Bond_Stereo_Count	0
23338788	Molecular_Weight	100.12
21169	TPSA	55.4
87714	Structure_Complexity	39.2
27596	Undefined_Bond_Stereo_Count	0
22611874	Total_Formal_Charge	0
6992027	Isotope_Atom_Count	0
19665	Defined_Bond_Stereo_Count	0
60196374	Non-hydrogen_Atom_Count	10
71309028	Undefined_Bond_Stereo_Count	0
74362	XLogP3-AA	0.7
4141	Hydrogen_Bond_Donor_Count	0
146158182	Rotatable_Bond_Count	4
14121451	Covalent_Unit_Count	1
11556711	Rotatable_Bond_Count	20
6433513	Covalent_Unit_Count	3
56643420	Hydrogen_Bond_Acceptor_Count	4
154342062	Undefined_Atom_Stereo_Count	2
665263	Rotatable_Bond_Count	5
4025	Undefined_Atom_Stereo_Count	2
13330488	Molecular_Weight	84.12
78160	Defined_Atom_Stereo_Count	0
13878	Undefined_Atom_Stereo_Count	0
916113	Hydrogen_Bond_Acceptor_Count	4
525424	Mono_Isotopic_Weight	86.01902136
53427	Defined_Atom_Stereo_Count	0
139079484	Mono_Isotopic_Weight	617.991897
62140646	Rotatable_Bond_Count	2
8730	Structure_Complexity	420
18195	Undefined_Bond_Stereo_Count	0
1473603	TPSA	43.6
21321822	Total_Formal_Charge	0
20188397	Rotatable_Bond_Count	0
26445	Tautomer_Count	1
5280493	TPSA	242
48279	Tautomer_Count	1
154132	Molecular_Weight	355.3
22983309	Molecular_Weight	110.20
33838	Undefined_Bond_Stereo_Count	0
81850	Mono_Isotopic_Weight	198.0083718
9002	Hydrogen_Bond_Donor_Count	4
13348970	Isotope_Atom_Count	0
10909617	Molecular_Weight	134.22
19846	Structure_Complexity	52.5
9925	Non-hydrogen_Atom_Count	22
6539027	Molecular_Weight	437.5
535479	Isotope_Atom_Count	0
4004	Exact_Mass	330.03606767
158553	Tautomer_Count	32
5282241	Hydrogen_Bond_Donor_Count	6
5656	Undefined_Bond_Stereo_Count	0
14190	Hydrogen_Bond_Acceptor_Count	8
45791180	Defined_Atom_Stereo_Count	0
135458645	Hydrogen_Bond_Donor_Count	5
87187801	Rotatable_Bond_Count	2
148335	Molecular_Weight	259.10
19070	Hydrogen_Bond_Donor_Count	3
77574	Isotope_Atom_Count	0
64617	Isotope_Atom_Count	0
15205080	Undefined_Atom_Stereo_Count	1
584807	TPSA	47.6
64061	Covalent_Unit_Count	3
97816	Undefined_Bond_Stereo_Count	0
23335676	Isotope_Atom_Count	0
28026	Total_Formal_Charge	0
930	Exact_Mass	745.09110351
6437850	Undefined_Atom_Stereo_Count	0
66503	Mono_Isotopic_Weight	418.168127949
65452	Defined_Atom_Stereo_Count	19
994360	Total_Formal_Charge	0
91778	Structure_Complexity	448
71456995	Undefined_Atom_Stereo_Count	0
437721	Isotope_Atom_Count	0
7075	Undefined_Atom_Stereo_Count	0
13728409	Total_Formal_Charge	0
39836	Rotatable_Bond_Count	7
146356470	Total_Formal_Charge	0
21942786	TPSA	46.3
11210173	Isotope_Atom_Count	0
152119	XLogP3-AA	0.6
184900	Total_Formal_Charge	0
70683717	Non-hydrogen_Atom_Count	33
10486	Total_Formal_Charge	0
23804	Total_Formal_Charge	0
11240515	Non-hydrogen_Atom_Count	7
49865859	Rotatable_Bond_Count	5
11100989	Hydrogen_Bond_Donor_Count	0
6323236	Structure_Complexity	1530
140342802	Hydrogen_Bond_Acceptor_Count	2
69860	Isotope_Atom_Count	0
839	Exact_Mass	163.04807239
134167153	Non-hydrogen_Atom_Count	47
16664362	Defined_Bond_Stereo_Count	0
704	Undefined_Atom_Stereo_Count	7
90973	Defined_Atom_Stereo_Count	0
145822437	Undefined_Atom_Stereo_Count	0
53848219	Molecular_Weight	100.08
6539297	Exact_Mass	368.10554495
9855445	Rotatable_Bond_Count	1
157857	Mono_Isotopic_Weight	280.92511883
61100	TPSA	121
8266	Molecular_Weight	388.8
76539	Molecular_Weight	403.6
129631047	Mono_Isotopic_Weight	657.83124
9871	Non-hydrogen_Atom_Count	7
567743	Hydrogen_Bond_Acceptor_Count	3
57952	Rotatable_Bond_Count	6
12556661	Hydrogen_Bond_Acceptor_Count	0
25094630	Structure_Complexity	522
12639	Rotatable_Bond_Count	2
5505	Total_Formal_Charge	0
71672	Covalent_Unit_Count	2
179344	Undefined_Bond_Stereo_Count	0
11977753	Defined_Atom_Stereo_Count	0
59347	Exact_Mass	241.0869564
703128	Mono_Isotopic_Weight	287.15214353
17750388	Structure_Complexity	69.7
44629484	Undefined_Atom_Stereo_Count	0
4932	Non-hydrogen_Atom_Count	25
12896	XLogP3	3.2
8635	Defined_Atom_Stereo_Count	0
37249	Non-hydrogen_Atom_Count	18
1803	Mono_Isotopic_Weight	243.08552052
146680	Exact_Mass	374.07903816
589209	Covalent_Unit_Count	1
2763078	Rotatable_Bond_Count	1
146159711	Undefined_Bond_Stereo_Count	5
147097491	Hydrogen_Bond_Donor_Count	0
554	Structure_Complexity	148
5109	Rotatable_Bond_Count	5
135983	Isotope_Atom_Count	0
14517197	Molecular_Weight	107.11
503	Molecular_Weight	117.11
143562	Molecular_Weight	115.13
22879	TPSA	157
54751657	Structure_Complexity	971
71311382	Exact_Mass	246.198365449
398743	Hydrogen_Bond_Donor_Count	1
9330	XLogP3	2.6
39650	Total_Formal_Charge	0
192435	Isotope_Atom_Count	0
91773	Covalent_Unit_Count	1
2325	XLogP3-AA	3.4
5311217	Covalent_Unit_Count	1
18626415	Structure_Complexity	63.1
139595131	Structure_Complexity	756
36879	Exact_Mass	190.07759887
23082568	Covalent_Unit_Count	2
53466062	TPSA	85.1
80376	Non-hydrogen_Atom_Count	6
37767	TPSA	104
888374	Hydrogen_Bond_Donor_Count	0
16052039	Isotope_Atom_Count	0
153774065	Defined_Bond_Stereo_Count	0
963	Isotope_Atom_Count	0
282529	Rotatable_Bond_Count	0
24744154	Exact_Mass	421.08833875
139058077	Covalent_Unit_Count	4
132980	Structure_Complexity	748
10231705	Exact_Mass	536.23180809
27522	Molecular_Weight	576.3
7674	Tautomer_Count	1
25011	TPSA	18.5
158221895	Mono_Isotopic_Weight	95.037113783
971023	Hydrogen_Bond_Acceptor_Count	2
65174	TPSA	221
5360886	TPSA	62.1
449331	Rotatable_Bond_Count	31
56670458	Molecular_Weight	477.9
22749	Exact_Mass	116.120115130
2774693	TPSA	58.2
31492	Tautomer_Count	1
13283	Non-hydrogen_Atom_Count	17
8481	Covalent_Unit_Count	1
2132	Molecular_Weight	378.10
95182	Non-hydrogen_Atom_Count	33
117064644	Undefined_Atom_Stereo_Count	1
13757192	Rotatable_Bond_Count	2
53465849	Undefined_Bond_Stereo_Count	0
19083150	Non-hydrogen_Atom_Count	11
139064747	Undefined_Atom_Stereo_Count	0
91447	Undefined_Bond_Stereo_Count	0
83805	Molecular_Weight	383.23
8432	Defined_Bond_Stereo_Count	0
23392960	Undefined_Bond_Stereo_Count	0
24798	Hydrogen_Bond_Donor_Count	0
130000966	Exact_Mass	101.084063974
50009	Mono_Isotopic_Weight	334.00659
19013934	Isotope_Atom_Count	0
67948733	Defined_Atom_Stereo_Count	0
33309	XLogP3	2.9
92822	Hydrogen_Bond_Acceptor_Count	3
90385783	Structure_Complexity	131
14282994	TPSA	32.8
7066	Non-hydrogen_Atom_Count	18
12219387	Rotatable_Bond_Count	1
46783800	Total_Formal_Charge	0
5367805	Hydrogen_Bond_Donor_Count	2
129638019	Molecular_Weight	296.36
4604180	Molecular_Weight	630.5
22160831	Undefined_Atom_Stereo_Count	1
163326	Defined_Bond_Stereo_Count	0
20516966	Defined_Bond_Stereo_Count	0
24502	Molecular_Weight	294.18
91895934	Hydrogen_Bond_Donor_Count	5
58911	Undefined_Bond_Stereo_Count	0
28094582	Isotope_Atom_Count	0
941102	Exact_Mass	332.0927701
141315890	TPSA	30.8
76538	Hydrogen_Bond_Donor_Count	0
92843	Defined_Atom_Stereo_Count	1
517232	Non-hydrogen_Atom_Count	5
139062015	Non-hydrogen_Atom_Count	21
65773	Defined_Bond_Stereo_Count	0
101707	Non-hydrogen_Atom_Count	18
19956	Defined_Bond_Stereo_Count	0
815404	Undefined_Atom_Stereo_Count	0
422052	Undefined_Bond_Stereo_Count	0
163429552	Exact_Mass	112.052429494
30251	Molecular_Weight	284.2
24763119	Undefined_Atom_Stereo_Count	0
2733526	Molecular_Weight	371.5
6051	Defined_Atom_Stereo_Count	0
9141	Undefined_Atom_Stereo_Count	0
12302694	Hydrogen_Bond_Donor_Count	8
3107	TPSA	113
7785	Hydrogen_Bond_Donor_Count	0
519415	Exact_Mass	146.130679813
418247	Total_Formal_Charge	0
91151945	Exact_Mass	342.11621151
12252708	Hydrogen_Bond_Donor_Count	2
50614	Hydrogen_Bond_Donor_Count	4
135300	Structure_Complexity	0
24946980	Molecular_Weight	419.6
45852	Total_Formal_Charge	0
154776153	Rotatable_Bond_Count	0
97469	XLogP3-AA	0.9
96373	Rotatable_Bond_Count	2
182585	Hydrogen_Bond_Acceptor_Count	5
431668	Hydrogen_Bond_Donor_Count	2
91042	Defined_Atom_Stereo_Count	0
20798667	Hydrogen_Bond_Donor_Count	0
156651923	Mono_Isotopic_Weight	114.068079557
7811	Molecular_Weight	124.21
6918248	Undefined_Atom_Stereo_Count	0
28280	Structure_Complexity	246
21258259	Undefined_Atom_Stereo_Count	0
12720	TPSA	0
20448997	Hydrogen_Bond_Acceptor_Count	3
5460024	Isotope_Atom_Count	0
2723755	Rotatable_Bond_Count	1
50543	Covalent_Unit_Count	1
6116	Exact_Mass	157.9891995
14051	Hydrogen_Bond_Donor_Count	6
6815	XLogP3-AA	8.6
165337	Hydrogen_Bond_Donor_Count	0
21655019	Structure_Complexity	48.1
101063142	Undefined_Atom_Stereo_Count	0
11949689	Defined_Bond_Stereo_Count	0
5360515	Total_Formal_Charge	0
4226	Hydrogen_Bond_Acceptor_Count	5
47640	Defined_Atom_Stereo_Count	0
444837	Undefined_Bond_Stereo_Count	0
20697439	Total_Formal_Charge	0
6984	Hydrogen_Bond_Acceptor_Count	1
40146	Hydrogen_Bond_Donor_Count	1
10630456	Mono_Isotopic_Weight	112.063662883
73951857	Non-hydrogen_Atom_Count	20
10102486	Structure_Complexity	1640
34521	Rotatable_Bond_Count	2
122214397	Non-hydrogen_Atom_Count	33
9895	Isotope_Atom_Count	0
18628727	TPSA	66.4
82161	Isotope_Atom_Count	0
68552	Undefined_Bond_Stereo_Count	0
9863776	TPSA	113
5372683	Hydrogen_Bond_Donor_Count	1
50516	Hydrogen_Bond_Donor_Count	1
104741	Hydrogen_Bond_Acceptor_Count	9
59503407	Hydrogen_Bond_Acceptor_Count	6
8698	Mono_Isotopic_Weight	178.099379685
16757521	Defined_Atom_Stereo_Count	5
52912189	Structure_Complexity	665
59856471	Mono_Isotopic_Weight	757.37204952
23366185	Rotatable_Bond_Count	2
64617	Undefined_Bond_Stereo_Count	0
170018	Undefined_Bond_Stereo_Count	0
123561814	Defined_Bond_Stereo_Count	0
23708	Structure_Complexity	1770
83465	Molecular_Weight	221.17
10292887	Hydrogen_Bond_Acceptor_Count	6
5282192	Hydrogen_Bond_Donor_Count	4
11370864	Mono_Isotopic_Weight	327.1156697
123839315	XLogP3-AA	1.3
231010	Non-hydrogen_Atom_Count	19
3076	Structure_Complexity	565
11137427	Defined_Atom_Stereo_Count	0
24766296	Defined_Atom_Stereo_Count	0
162955681	Non-hydrogen_Atom_Count	23
400769	TPSA	84.2
7854	Hydrogen_Bond_Acceptor_Count	1
68363	Defined_Atom_Stereo_Count	0
92434	Total_Formal_Charge	0
14	Isotope_Atom_Count	0
3035842	Structure_Complexity	132
13019052	Rotatable_Bond_Count	6
15983549	Mono_Isotopic_Weight	454.22162007
164930	TPSA	17.1
10489	Total_Formal_Charge	0
12447	TPSA	75.9
59603622	Structure_Complexity	481
85960	Undefined_Bond_Stereo_Count	0
49968	Total_Formal_Charge	0
66708587	Hydrogen_Bond_Acceptor_Count	3
6473876	Molecular_Weight	1202.6
59743	TPSA	84.9
53420035	Undefined_Atom_Stereo_Count	2
5284551	Undefined_Bond_Stereo_Count	0
4382	Non-hydrogen_Atom_Count	12
122198135	Structure_Complexity	987
60172	Structure_Complexity	327
416960	Undefined_Atom_Stereo_Count	1
13908	Defined_Atom_Stereo_Count	0
70693263	Mono_Isotopic_Weight	501.1680007
12994	Mono_Isotopic_Weight	78.021798072
87689	Defined_Bond_Stereo_Count	0
20395	XLogP3-AA	4.3
10243	Rotatable_Bond_Count	1
980806	Exact_Mass	426.0917247
7873	Rotatable_Bond_Count	10
72809410	Covalent_Unit_Count	1
137572	Defined_Atom_Stereo_Count	0
734999	Undefined_Bond_Stereo_Count	0
63055	Undefined_Atom_Stereo_Count	0
12363	Defined_Atom_Stereo_Count	0
1637	Rotatable_Bond_Count	8
68948183	Hydrogen_Bond_Donor_Count	1
330395	Mono_Isotopic_Weight	113.084063974
11000	Total_Formal_Charge	0
4437320	Hydrogen_Bond_Acceptor_Count	4
133687113	TPSA	62.3
14930392	Rotatable_Bond_Count	2
129846869	Isotope_Atom_Count	0
10898660	Exact_Mass	101.084063974
758	Non-hydrogen_Atom_Count	80
637520	Undefined_Bond_Stereo_Count	0
344644	Isotope_Atom_Count	0
6440013	Non-hydrogen_Atom_Count	59
7157007	Covalent_Unit_Count	1
102334657	Non-hydrogen_Atom_Count	33
13968540	Rotatable_Bond_Count	3
124224930	TPSA	195
16681432	Structure_Complexity	1850
17756737	Hydrogen_Bond_Acceptor_Count	4
2583694	Undefined_Bond_Stereo_Count	0
20793238	Undefined_Atom_Stereo_Count	0
70482	TPSA	29.1
15720326	Rotatable_Bond_Count	3
73	Non-hydrogen_Atom_Count	27
36054	Molecular_Weight	184.28
24901210	Mono_Isotopic_Weight	497.1539906
16052015	Undefined_Atom_Stereo_Count	2
101778159	Covalent_Unit_Count	1
14816327	Mono_Isotopic_Weight	113.084063974
107561	Tautomer_Count	8
135860757	Hydrogen_Bond_Acceptor_Count	5
61249	Total_Formal_Charge	0
142559332	Undefined_Bond_Stereo_Count	0
53464	XLogP3	3.7
11527661	Defined_Atom_Stereo_Count	1
16280	Structure_Complexity	212
6989253	Total_Formal_Charge	0
93074	Covalent_Unit_Count	1
19425	Covalent_Unit_Count	1
46861612	Non-hydrogen_Atom_Count	30
177976	Molecular_Weight	375.4
23672568	Exact_Mass	484.05995429
44560807	Defined_Bond_Stereo_Count	0
16224058	Covalent_Unit_Count	1
73755062	Undefined_Bond_Stereo_Count	0
573419	Isotope_Atom_Count	0
11583971	Undefined_Atom_Stereo_Count	0
887824	Structure_Complexity	377
100927764	Structure_Complexity	438
90477400	Non-hydrogen_Atom_Count	18
46174453	Undefined_Atom_Stereo_Count	0
98070685	Tautomer_Count	1
72163100	Isotope_Atom_Count	0
64085466	Isotope_Atom_Count	0
68323	Undefined_Bond_Stereo_Count	0
11033	Defined_Atom_Stereo_Count	0
253	TPSA	104
2843	Rotatable_Bond_Count	11
87190	Covalent_Unit_Count	1
59174488	Exact_Mass	423.17066774
154	Structure_Complexity	413
65776	Molecular_Weight	350.5
14800	Total_Formal_Charge	1
91556	TPSA	63.6
12387212	Structure_Complexity	54.9
62382	Defined_Bond_Stereo_Count	0
129631779	Rotatable_Bond_Count	8
53906657	Exact_Mass	100.052429494
12674802	XLogP3-AA	4.2
76373	Non-hydrogen_Atom_Count	8
155353470	Hydrogen_Bond_Acceptor_Count	3
135431094	Defined_Bond_Stereo_Count	3
66509091	Covalent_Unit_Count	1
56678999	Isotope_Atom_Count	0
1482928	Total_Formal_Charge	0
81364	Isotope_Atom_Count	0
1149	Defined_Atom_Stereo_Count	0
6669	Rotatable_Bond_Count	2
5364598	Hydrogen_Bond_Donor_Count	0
91670	Undefined_Bond_Stereo_Count	0
15208	Undefined_Bond_Stereo_Count	0
68009	TPSA	17.1
21262	XLogP3	2.6
124009720	Hydrogen_Bond_Acceptor_Count	2
2484	Exact_Mass	317.214349865
10195	Defined_Atom_Stereo_Count	0
24838347	Exact_Mass	196.0138511
17360	Isotope_Atom_Count	0
53380818	Covalent_Unit_Count	1
16847	Structure_Complexity	496
56463	Covalent_Unit_Count	1
11116015	Undefined_Atom_Stereo_Count	2
21184953	Undefined_Bond_Stereo_Count	0
144416139	Isotope_Atom_Count	0
1093	Covalent_Unit_Count	1
6436158	Covalent_Unit_Count	1
61719	Rotatable_Bond_Count	4
582251	Defined_Bond_Stereo_Count	0
65920	Undefined_Bond_Stereo_Count	0
75622	Undefined_Atom_Stereo_Count	0
87671146	Covalent_Unit_Count	1
11509	XLogP3-AA	1.2
54038601	Covalent_Unit_Count	1
5351154	Tautomer_Count	108
60196346	Molecular_Weight	432.5
136013897	Hydrogen_Bond_Acceptor_Count	3
156614059	Hydrogen_Bond_Acceptor_Count	5
121599	Defined_Atom_Stereo_Count	0
70700401	Non-hydrogen_Atom_Count	20
3575	Covalent_Unit_Count	1
10243599	Hydrogen_Bond_Acceptor_Count	4
61080	Defined_Bond_Stereo_Count	0
134687906	Hydrogen_Bond_Acceptor_Count	16
65410	Undefined_Atom_Stereo_Count	2
248333	Undefined_Bond_Stereo_Count	0
6602154	Total_Formal_Charge	0
23709629	Total_Formal_Charge	0
9886	Molecular_Weight	144.9641810
2402	Non-hydrogen_Atom_Count	34
10176229	Total_Formal_Charge	0
19352068	Structure_Complexity	45.8
65013	Mono_Isotopic_Weight	302.16304257
398747	Covalent_Unit_Count	1
4692287	Structure_Complexity	650
13702293	XLogP3-AA	0.2
665063	Non-hydrogen_Atom_Count	25
13223	XLogP3-AA	0.7
5029	Mono_Isotopic_Weight	359.13036271
11040661	Exact_Mass	114.068079557
210739	Exact_Mass	251.13438547
122361733	TPSA	198
13860601	Mono_Isotopic_Weight	114.104465066
11067463	Structure_Complexity	421
55062	Defined_Bond_Stereo_Count	0
119098214	Molecular_Weight	98.14
14643175	Total_Formal_Charge	0
12486	Non-hydrogen_Atom_Count	10
9952193	Rotatable_Bond_Count	6
12836334	Non-hydrogen_Atom_Count	8
12561970	Hydrogen_Bond_Donor_Count	0
17354	Defined_Bond_Stereo_Count	0
17150	Total_Formal_Charge	0
52940883	Exact_Mass	355.11323305
11527774	Non-hydrogen_Atom_Count	38
15272297	Undefined_Atom_Stereo_Count	0
69204	Undefined_Atom_Stereo_Count	0
124018515	Defined_Bond_Stereo_Count	0
853863	Total_Formal_Charge	0
138991760	Covalent_Unit_Count	1
18016	Isotope_Atom_Count	0
12313776	Isotope_Atom_Count	0
317677	Exact_Mass	114.068079557
24107	Isotope_Atom_Count	0
137685	Molecular_Weight	112.17
4632	Structure_Complexity	258
4369	TPSA	110
23657874	Defined_Bond_Stereo_Count	0
12232989	Undefined_Bond_Stereo_Count	0
10141893	Defined_Atom_Stereo_Count	0
941385	Defined_Atom_Stereo_Count	2
85760873	Defined_Atom_Stereo_Count	0
13625	Structure_Complexity	160
24883439	Defined_Atom_Stereo_Count	0
15706803	Mono_Isotopic_Weight	116.120115130
13620760	Structure_Complexity	108
68539	Isotope_Atom_Count	0
3297	Covalent_Unit_Count	1
1808	Defined_Bond_Stereo_Count	0
11993	Total_Formal_Charge	0
3090044	Non-hydrogen_Atom_Count	14
673664	XLogP3-AA	0.6
23675341	Structure_Complexity	839
8470	Structure_Complexity	31.7
591200	Total_Formal_Charge	0
33643	Isotope_Atom_Count	0
9883104	Structure_Complexity	270
60196365	Undefined_Atom_Stereo_Count	1
133124921	Undefined_Bond_Stereo_Count	0
10675	Total_Formal_Charge	0
96299	Mono_Isotopic_Weight	238.110613074
99027	Isotope_Atom_Count	0
22450938	Non-hydrogen_Atom_Count	12
612743	Hydrogen_Bond_Donor_Count	1
86350	Undefined_Bond_Stereo_Count	0
4273	Undefined_Atom_Stereo_Count	0
44455014	Rotatable_Bond_Count	6
54187438	Non-hydrogen_Atom_Count	7
35331	Rotatable_Bond_Count	0
13814	XLogP3-AA	3.1
21553255	Hydrogen_Bond_Acceptor_Count	1
11625340	Undefined_Atom_Stereo_Count	0
10582477	Molecular_Weight	223.23
21778241	Undefined_Atom_Stereo_Count	0
141282030	Undefined_Bond_Stereo_Count	0
54580767	Defined_Bond_Stereo_Count	0
2734230	TPSA	8.8
24472	XLogP3-AA	0.6
5257090	Undefined_Bond_Stereo_Count	0
69392	Undefined_Atom_Stereo_Count	0
62705686	Defined_Bond_Stereo_Count	0
642781	Structure_Complexity	165
44249711	Isotope_Atom_Count	0
146681110	Structure_Complexity	2010
129815740	Undefined_Bond_Stereo_Count	0
101821020	Covalent_Unit_Count	2
20055423	Defined_Atom_Stereo_Count	8
626732	Hydrogen_Bond_Acceptor_Count	3
15291	Undefined_Bond_Stereo_Count	0
60154330	Covalent_Unit_Count	1
75502	Exact_Mass	342.27700969
13506	Tautomer_Count	3
57358267	Defined_Bond_Stereo_Count	0
10269854	Covalent_Unit_Count	1
54581775	Molecular_Weight	372.3
6028462	Structure_Complexity	72
12676	Rotatable_Bond_Count	2
2734687	Hydrogen_Bond_Donor_Count	4
68868	Defined_Atom_Stereo_Count	7
10909502	XLogP3	1.7
8566	Molecular_Weight	809.1
71356554	Defined_Atom_Stereo_Count	1
19810797	Undefined_Atom_Stereo_Count	1
40701	TPSA	9.2
135846130	Hydrogen_Bond_Acceptor_Count	19
98044763	Hydrogen_Bond_Acceptor_Count	5
13734208	Tautomer_Count	1
156071492	Structure_Complexity	131
151173	Molecular_Weight	213.19
98055	Isotope_Atom_Count	0
11612	Total_Formal_Charge	0
1756	Mono_Isotopic_Weight	187.038176411
46244454	XLogP3-AA	2.1
3881	Defined_Bond_Stereo_Count	0
261501	Covalent_Unit_Count	2
11593	Defined_Atom_Stereo_Count	0
9806190	Molecular_Weight	505.6
84461	Tautomer_Count	2
30251	Mono_Isotopic_Weight	283.0894550
76871762	Covalent_Unit_Count	2
87524	TPSA	87
11594328	TPSA	58.7
132306	Defined_Bond_Stereo_Count	0
70333	Molecular_Weight	170.25
74041114	Undefined_Bond_Stereo_Count	0
5232201	Molecular_Weight	110.14
19761154	Total_Formal_Charge	0
9613	Isotope_Atom_Count	0
12029691	Undefined_Bond_Stereo_Count	0
6919170	XLogP3	4.7
40780	Rotatable_Bond_Count	12
1497794	XLogP3-AA	2
23713799	Total_Formal_Charge	0
45878	Tautomer_Count	1
147983909	Covalent_Unit_Count	1
7192	Rotatable_Bond_Count	2
12346769	Structure_Complexity	171
12394845	Mono_Isotopic_Weight	108.093900383
5284632	XLogP3-AA	4.4
31068	Undefined_Atom_Stereo_Count	1
16229	Mono_Isotopic_Weight	385.21138974
91069096	Structure_Complexity	129
87401	Total_Formal_Charge	0
57823090	Undefined_Atom_Stereo_Count	0
8060	Tautomer_Count	1
5362051	Mono_Isotopic_Weight	636.15196282
6432744	Molecular_Weight	414.7
38260	TPSA	192
55	Total_Formal_Charge	0
22645860	Molecular_Weight	98.10
5281032	Undefined_Bond_Stereo_Count	0
3842125	Hydrogen_Bond_Donor_Count	2
445258	XLogP3	2.3
34192	Undefined_Atom_Stereo_Count	0
39764	Hydrogen_Bond_Acceptor_Count	6
8081	Mono_Isotopic_Weight	90.031694049
9938056	Molecular_Weight	574.8
91807240	TPSA	29
3955	Isotope_Atom_Count	0
71541188	Defined_Bond_Stereo_Count	0
123357638	Hydrogen_Bond_Acceptor_Count	2
10967532	Rotatable_Bond_Count	1
31018	Rotatable_Bond_Count	1
12885796	Defined_Atom_Stereo_Count	0
98651	Non-hydrogen_Atom_Count	29
12285892	Undefined_Bond_Stereo_Count	0
97113	Hydrogen_Bond_Acceptor_Count	3
154516221	Hydrogen_Bond_Acceptor_Count	0
19710	Molecular_Weight	118.13
131700219	Isotope_Atom_Count	10
72551	Tautomer_Count	2
153005	Exact_Mass	217.04087901
7212	Structure_Complexity	105
16220111	Undefined_Atom_Stereo_Count	0
14911944	TPSA	29.5
95198	Structure_Complexity	212
44755146	TPSA	117
75994	Undefined_Atom_Stereo_Count	0
17171354	TPSA	41.1
5467	Rotatable_Bond_Count	8
14812	Exact_Mass	283.84419418
119525	Hydrogen_Bond_Acceptor_Count	10
52944532	Molecular_Weight	415.4
14256301	XLogP3-AA	0.9
20470206	Molecular_Weight	108.18
15981450	Hydrogen_Bond_Donor_Count	2
91490	Defined_Bond_Stereo_Count	0
9886286	Rotatable_Bond_Count	6
158698	Undefined_Bond_Stereo_Count	0
53943526	Hydrogen_Bond_Donor_Count	1
56205	Defined_Bond_Stereo_Count	0
24742076	Structure_Complexity	642
57057991	Molecular_Weight	116.11
92210	Undefined_Atom_Stereo_Count	2
26117	Molecular_Weight	176.17
2832	Isotope_Atom_Count	0
1549103	Structure_Complexity	156
153100734	Covalent_Unit_Count	1
721436	Defined_Bond_Stereo_Count	0
91618104	Total_Formal_Charge	0
14236	Non-hydrogen_Atom_Count	8
54515893	Non-hydrogen_Atom_Count	8
3047786	Hydrogen_Bond_Donor_Count	0
347477	Non-hydrogen_Atom_Count	8
447518	Total_Formal_Charge	0
9568700	Molecular_Weight	206.27
6429	Defined_Atom_Stereo_Count	0
140808	TPSA	38.7
129744665	XLogP3-AA	0.1
93055	Rotatable_Bond_Count	6
44809	Total_Formal_Charge	0
329	Hydrogen_Bond_Acceptor_Count	8
11073371	Isotope_Atom_Count	0
67511	Hydrogen_Bond_Donor_Count	0
139081225	Covalent_Unit_Count	1
56670034	TPSA	74.7
62865	Covalent_Unit_Count	1
58002108	Undefined_Bond_Stereo_Count	0
141352213	Hydrogen_Bond_Donor_Count	0
64883	Undefined_Bond_Stereo_Count	0
19603047	Molecular_Weight	114.19
67621	Structure_Complexity	209
25298	Molecular_Weight	104.15
443867	Non-hydrogen_Atom_Count	25
7212	XLogP3	3.8
5367805	Structure_Complexity	106
15090448	Mono_Isotopic_Weight	114.068079557
447715	Defined_Atom_Stereo_Count	11
12452048	Exact_Mass	112.088815002
6435	Undefined_Atom_Stereo_Count	0
131110184	Rotatable_Bond_Count	2
5142	Tautomer_Count	1
10298	Total_Formal_Charge	0
6096946	Exact_Mass	147.99763447
12193680	Undefined_Bond_Stereo_Count	0
5363355	Mono_Isotopic_Weight	333.0548008
88578918	Molecular_Weight	101.15
73949	Rotatable_Bond_Count	0
69497	Exact_Mass	232.05580079
72199429	Covalent_Unit_Count	1
85626	Hydrogen_Bond_Donor_Count	0
5284623	Hydrogen_Bond_Acceptor_Count	14
92722	Molecular_Weight	508.6
131170	Defined_Bond_Stereo_Count	0
84598	Exact_Mass	815.4704
12386877	Non-hydrogen_Atom_Count	6
21585056	Undefined_Bond_Stereo_Count	0
7160	TPSA	35.5
5368784	Mono_Isotopic_Weight	204.187800766
25429	Tautomer_Count	3
6937	Exact_Mass	164.120115130
86510	Rotatable_Bond_Count	0
12162479	Non-hydrogen_Atom_Count	11
92	Undefined_Atom_Stereo_Count	4
11505444	Structure_Complexity	996
67387401	Defined_Atom_Stereo_Count	0
11446304	Isotope_Atom_Count	0
14	Rotatable_Bond_Count	13
147570519	TPSA	3.2
69065	Exact_Mass	216.04225873
449107	Defined_Atom_Stereo_Count	2
5805243	Undefined_Atom_Stereo_Count	0
53432	Molecular_Weight	250.34
418587	Mono_Isotopic_Weight	677.30474055
1483	Non-hydrogen_Atom_Count	10
2733335	Defined_Bond_Stereo_Count	0
373137	Defined_Atom_Stereo_Count	0
5362440	XLogP3-AA	2.8
6445786	Isotope_Atom_Count	0
33643	Undefined_Bond_Stereo_Count	0
3392711	TPSA	18.5
5353970	Non-hydrogen_Atom_Count	37
60144418	XLogP3-AA	2.5
12478167	Defined_Bond_Stereo_Count	0
7561	Rotatable_Bond_Count	3
90643	Rotatable_Bond_Count	0
5287792	Hydrogen_Bond_Acceptor_Count	3
3773593	Defined_Atom_Stereo_Count	0
80466	Defined_Atom_Stereo_Count	0
34481	Non-hydrogen_Atom_Count	22
23354329	Undefined_Atom_Stereo_Count	0
440175	Defined_Bond_Stereo_Count	0
4322479	TPSA	62.7
77580	Hydrogen_Bond_Donor_Count	1
159325	Undefined_Atom_Stereo_Count	0
129980649	Exact_Mass	100.052429494
135398599	Tautomer_Count	6
59270	Hydrogen_Bond_Donor_Count	1
54680695	Isotope_Atom_Count	0
21915946	Total_Formal_Charge	0
1549026	Undefined_Bond_Stereo_Count	0
13342	Non-hydrogen_Atom_Count	59
709430	XLogP3-AA	2.4
53801928	Total_Formal_Charge	0
70620	Hydrogen_Bond_Donor_Count	0
78014	Total_Formal_Charge	0
20339874	Undefined_Bond_Stereo_Count	0
20054848	Isotope_Atom_Count	0
135513268	Undefined_Bond_Stereo_Count	0
90988075	Covalent_Unit_Count	1
2732	Structure_Complexity	564
74353448	XLogP3-AA	2.9
5464186	Undefined_Atom_Stereo_Count	0
80009	Rotatable_Bond_Count	0
688267	Tautomer_Count	1
9890250	TPSA	83.1
20648808	Exact_Mass	97.052763847
11320921	Isotope_Atom_Count	0
15020	Non-hydrogen_Atom_Count	22
9803119	Isotope_Atom_Count	0
66751	Molecular_Weight	234.33
148539	TPSA	12.5
42642648	Hydrogen_Bond_Acceptor_Count	8
66102	Exact_Mass	246.08920892
91667752	TPSA	290
23676736	Non-hydrogen_Atom_Count	30
408964	Defined_Bond_Stereo_Count	0
21340555	XLogP3-AA	3.2
9318	TPSA	80.3
656652	Molecular_Weight	283.33
517165	Defined_Atom_Stereo_Count	0
11741	TPSA	94.6
11696668	Defined_Bond_Stereo_Count	0
162268	Hydrogen_Bond_Donor_Count	0
2770166	Non-hydrogen_Atom_Count	8
9615347	Rotatable_Bond_Count	10
173411	Defined_Atom_Stereo_Count	0
139692455	Mono_Isotopic_Weight	73.052763847
24906119	XLogP3-AA	2.8
12276	Non-hydrogen_Atom_Count	10
19962896	Mono_Isotopic_Weight	96.068748264
53393558	Non-hydrogen_Atom_Count	16
148821664	Structure_Complexity	127
71623221	Undefined_Bond_Stereo_Count	0
6603	Structure_Complexity	131
71248	TPSA	91.9
179547	Isotope_Atom_Count	0
12428018	Covalent_Unit_Count	1
148013616	Defined_Bond_Stereo_Count	0
65662	Exact_Mass	267.125928785
90942134	Hydrogen_Bond_Acceptor_Count	3
10592	TPSA	94.8
5326971	Undefined_Bond_Stereo_Count	0
145068	Hydrogen_Bond_Donor_Count	0
67564795	Rotatable_Bond_Count	1
45167	Rotatable_Bond_Count	4
439524	Rotatable_Bond_Count	3
119693	Defined_Bond_Stereo_Count	0
6061	Undefined_Bond_Stereo_Count	0
101574147	Undefined_Atom_Stereo_Count	0
5282402	Non-hydrogen_Atom_Count	26
5497186	Defined_Bond_Stereo_Count	0
6538991	Hydrogen_Bond_Acceptor_Count	7
134688323	Covalent_Unit_Count	1
129010364	Molecular_Weight	665.7
132305	Exact_Mass	375.16818752
65646	Structure_Complexity	868
23677992	Undefined_Atom_Stereo_Count	0
4279	Mono_Isotopic_Weight	344.352854710
42602097	XLogP3-AA	2.8
57864687	Total_Formal_Charge	0
3946663	Non-hydrogen_Atom_Count	29
199229	Hydrogen_Bond_Donor_Count	0
13611195	TPSA	0
26898	XLogP3-AA	3.4
6184667	Tautomer_Count	1
21720742	Undefined_Bond_Stereo_Count	0
14815775	Exact_Mass	111.068413911
14453671	Covalent_Unit_Count	1
104775	Defined_Bond_Stereo_Count	0
43371	Total_Formal_Charge	0
14397832	Rotatable_Bond_Count	2
24843	Isotope_Atom_Count	0
60169	Rotatable_Bond_Count	29
22010122	Defined_Bond_Stereo_Count	0
520660	Undefined_Bond_Stereo_Count	0
73094	Covalent_Unit_Count	1
60196440	Hydrogen_Bond_Donor_Count	2
98177686	Non-hydrogen_Atom_Count	20
51906	Mono_Isotopic_Weight	223.12084340
77922	Exact_Mass	117.078978594
5361467	Non-hydrogen_Atom_Count	35
10229498	Hydrogen_Bond_Acceptor_Count	5
8809	Defined_Bond_Stereo_Count	0
11560414	Total_Formal_Charge	0
91824766	Isotope_Atom_Count	0
3989307	Undefined_Atom_Stereo_Count	2
13302066	Rotatable_Bond_Count	3
20782671	Undefined_Atom_Stereo_Count	0
544553	TPSA	43.4
6473	Covalent_Unit_Count	1
90941377	Molecular_Weight	425.4
5311	Tautomer_Count	12
12401	Tautomer_Count	1
135418174	XLogP3-AA	1.4
141225356	Exact_Mass	408.12969158
8168	Non-hydrogen_Atom_Count	15
15982533	Undefined_Bond_Stereo_Count	0
137118	Total_Formal_Charge	0
154515463	Undefined_Atom_Stereo_Count	1
23158703	Isotope_Atom_Count	0
71795	Exact_Mass	324.183778013
3020	Non-hydrogen_Atom_Count	70
7579	Molecular_Weight	200.24
83996	Hydrogen_Bond_Donor_Count	5
129664186	Hydrogen_Bond_Donor_Count	0
5367692	TPSA	26.3
19601937	TPSA	49.7
8936	Rotatable_Bond_Count	10
410906	Defined_Bond_Stereo_Count	0
10814237	Undefined_Atom_Stereo_Count	0
18542107	Undefined_Atom_Stereo_Count	0
92626	TPSA	20.2
57972066	TPSA	190
5113032	Undefined_Atom_Stereo_Count	1
5083	Defined_Bond_Stereo_Count	0
65359	Covalent_Unit_Count	1
1548943	Mono_Isotopic_Weight	305.19909372
72921	Exact_Mass	123.068413911
10778228	Total_Formal_Charge	0
3869	Defined_Atom_Stereo_Count	0
11634725	Tautomer_Count	44
2199	Non-hydrogen_Atom_Count	19
3037565	Exact_Mass	322.25079494
12231	Exact_Mass	61.016378338
8627	Isotope_Atom_Count	0
14770	TPSA	0
6914131	Undefined_Bond_Stereo_Count	0
1854	Isotope_Atom_Count	0
45789647	Undefined_Atom_Stereo_Count	1
8037	Molecular_Weight	116.20
12749	Tautomer_Count	2
21962760	Total_Formal_Charge	0
1519	Undefined_Bond_Stereo_Count	0
12845046	Structure_Complexity	76.8
55290327	Mono_Isotopic_Weight	87.068413911
111089	Defined_Bond_Stereo_Count	0
2014	Exact_Mass	288.0777887
51380890	Mono_Isotopic_Weight	275.0257161
12463	Hydrogen_Bond_Acceptor_Count	0
9818479	Total_Formal_Charge	0
135402338	Isotope_Atom_Count	0
5365585	Molecular_Weight	248.4
12697736	Mono_Isotopic_Weight	102.068079557
4302960	Hydrogen_Bond_Acceptor_Count	5
107876	Hydrogen_Bond_Acceptor_Count	13
870718	Exact_Mass	250.09535693
54581335	Structure_Complexity	514
595999	Isotope_Atom_Count	0
41170	Isotope_Atom_Count	0
71583274	Non-hydrogen_Atom_Count	33
45116623	Defined_Atom_Stereo_Count	0
992	Rotatable_Bond_Count	0
673	Hydrogen_Bond_Donor_Count	1
129428745	Molecular_Weight	480.7
5354004	Non-hydrogen_Atom_Count	22
53464	Non-hydrogen_Atom_Count	19
142914812	Structure_Complexity	70.5
45380694	Isotope_Atom_Count	0
19502	Exact_Mass	112.125200510
1473603	Isotope_Atom_Count	0
72207931	Defined_Atom_Stereo_Count	0
277767	Defined_Bond_Stereo_Count	0
11228026	Hydrogen_Bond_Acceptor_Count	6
54580845	TPSA	34.2
75987474	Rotatable_Bond_Count	3
13570060	Undefined_Bond_Stereo_Count	0
9281	Exact_Mass	816.1726841
11622593	Structure_Complexity	280
14985	Structure_Complexity	503
129673373	Undefined_Bond_Stereo_Count	0
56843375	Covalent_Unit_Count	1
114523	Total_Formal_Charge	0
5351560	XLogP3-AA	2.3
102089288	Non-hydrogen_Atom_Count	12
18340	Rotatable_Bond_Count	6
86380	Molecular_Weight	197.23
44571868	Mono_Isotopic_Weight	403.18959167
551191	Hydrogen_Bond_Acceptor_Count	1
62963	Undefined_Bond_Stereo_Count	0
22220113	Hydrogen_Bond_Donor_Count	1
199758	TPSA	33.1
10201497	Undefined_Atom_Stereo_Count	0
70949	Non-hydrogen_Atom_Count	10
162681560	Defined_Bond_Stereo_Count	0
24917002	Undefined_Atom_Stereo_Count	0
16536	Total_Formal_Charge	0
123608	Rotatable_Bond_Count	4
117736498	Total_Formal_Charge	0
71568	Rotatable_Bond_Count	0
87963836	Undefined_Bond_Stereo_Count	0
954673	Isotope_Atom_Count	0
13265823	Structure_Complexity	185
637520	Hydrogen_Bond_Acceptor_Count	2
65764	Structure_Complexity	511
84398	Tautomer_Count	1
3037161	Rotatable_Bond_Count	5
130545	Tautomer_Count	1
229932	Rotatable_Bond_Count	1
3965	Undefined_Atom_Stereo_Count	2
17841655	Defined_Bond_Stereo_Count	0
23667634	Defined_Atom_Stereo_Count	4
4739928	Hydrogen_Bond_Donor_Count	0
68869	Total_Formal_Charge	0
281660	Isotope_Atom_Count	0
139062656	Total_Formal_Charge	0
11670	XLogP3-AA	1.5
82650946	Defined_Atom_Stereo_Count	0
107758	TPSA	308
67285	Mono_Isotopic_Weight	171.104799419
99516	Mono_Isotopic_Weight	416.32904526
88323	Covalent_Unit_Count	1
22137184	XLogP3-AA	1
23662369	Mono_Isotopic_Weight	304.08238656
16564	XLogP3-AA	0.2
77262	Covalent_Unit_Count	1
519946	Undefined_Atom_Stereo_Count	0
131885396	Molecular_Weight	309.38
54368808	Mono_Isotopic_Weight	109.052763847
9571080	Defined_Bond_Stereo_Count	1
24838	Exact_Mass	186.161979940
21180574	Defined_Bond_Stereo_Count	0
9936727	Non-hydrogen_Atom_Count	37
16048558	Hydrogen_Bond_Acceptor_Count	3
49607	Non-hydrogen_Atom_Count	15
75332	Defined_Atom_Stereo_Count	0
12561739	Non-hydrogen_Atom_Count	10
211202	Defined_Atom_Stereo_Count	0
55285315	Defined_Bond_Stereo_Count	0
15291	TPSA	39.2
12201383	Molecular_Weight	107.11
40470	XLogP3	6.7
5507	Covalent_Unit_Count	1
45040472	Defined_Bond_Stereo_Count	0
129711560	Hydrogen_Bond_Donor_Count	2
49869173	Covalent_Unit_Count	1
19350299	Rotatable_Bond_Count	3
137349890	Hydrogen_Bond_Acceptor_Count	4
11482181	Defined_Bond_Stereo_Count	0
6999987	Non-hydrogen_Atom_Count	7
1381	TPSA	74.2
53765848	Hydrogen_Bond_Donor_Count	0
8216	Tautomer_Count	1
146199	Defined_Bond_Stereo_Count	0
5227	Defined_Bond_Stereo_Count	0
3011721	Hydrogen_Bond_Acceptor_Count	6
188206	Defined_Bond_Stereo_Count	0
400769	Hydrogen_Bond_Donor_Count	0
54388248	Undefined_Atom_Stereo_Count	1
30997	Total_Formal_Charge	0
7874	Defined_Atom_Stereo_Count	0
574495	Structure_Complexity	682
127441	TPSA	52.5
5284349	Defined_Bond_Stereo_Count	0
4678317	Undefined_Bond_Stereo_Count	0
11956149	TPSA	43.1
142101289	Hydrogen_Bond_Acceptor_Count	3
71117	Rotatable_Bond_Count	5
23260879	Non-hydrogen_Atom_Count	8
4456	TPSA	29.5
12940550	Rotatable_Bond_Count	2
9841233	Hydrogen_Bond_Acceptor_Count	4
71397	Mono_Isotopic_Weight	285.151749610
72266	Exact_Mass	295.12805404
139	Isotope_Atom_Count	0
5045	Defined_Bond_Stereo_Count	0
5149	Total_Formal_Charge	0
10564696	Tautomer_Count	1
14379827	Hydrogen_Bond_Donor_Count	1
13445118	Molecular_Weight	116.16
91240511	Structure_Complexity	138
3085416	Undefined_Bond_Stereo_Count	3
638051	Covalent_Unit_Count	1
12086784	Defined_Bond_Stereo_Count	2
13559281	Hydrogen_Bond_Acceptor_Count	4
6434217	Undefined_Atom_Stereo_Count	2
10401972	Undefined_Atom_Stereo_Count	0
11194307	Undefined_Atom_Stereo_Count	1
53806232	Undefined_Bond_Stereo_Count	1
66144	TPSA	43.4
75691	Hydrogen_Bond_Donor_Count	0
53309	Hydrogen_Bond_Acceptor_Count	3
5342002	Molecular_Weight	285.8
566685	Defined_Bond_Stereo_Count	0
4183	Covalent_Unit_Count	1
44571224	Hydrogen_Bond_Acceptor_Count	8
13432443	Isotope_Atom_Count	0
546957	Mono_Isotopic_Weight	171.173547683
69393	Molecular_Weight	70.09
57384040	TPSA	98.4
11572	Undefined_Bond_Stereo_Count	0
11282394	Exact_Mass	452.13186158
57163928	Defined_Atom_Stereo_Count	0
23669	Structure_Complexity	260
40473182	Defined_Bond_Stereo_Count	0
134828	Exact_Mass	298.09535693
53323370	Non-hydrogen_Atom_Count	34
4936	Isotope_Atom_Count	0
89742272	Isotope_Atom_Count	0
58817179	XLogP3-AA	2.9
292	Mono_Isotopic_Weight	565.07100571
16821	Rotatable_Bond_Count	7
12339043	Total_Formal_Charge	0
5357258	Hydrogen_Bond_Acceptor_Count	0
71726	XLogP3-AA	1.2
5672	Exact_Mass	778.39416469
16124208	Total_Formal_Charge	0
4136526	Covalent_Unit_Count	1
198576	Mono_Isotopic_Weight	313.240564612
336423	Covalent_Unit_Count	1
135403804	Undefined_Bond_Stereo_Count	0
5354280	XLogP3-AA	2.9
19727	Isotope_Atom_Count	0
65332	Rotatable_Bond_Count	6
5282203	Defined_Atom_Stereo_Count	0
14344952	Defined_Bond_Stereo_Count	0
11337	Undefined_Atom_Stereo_Count	4
56634286	Exact_Mass	113.095297364
16219444	TPSA	159
5648	Undefined_Atom_Stereo_Count	2
138394156	Hydrogen_Bond_Acceptor_Count	8
54385745	Undefined_Atom_Stereo_Count	0
4065	Molecular_Weight	235.32
54585737	Total_Formal_Charge	0
483998	Undefined_Atom_Stereo_Count	1
19347790	Molecular_Weight	116.08
21356	Molecular_Weight	204.01
258383	Defined_Bond_Stereo_Count	0
4373502	Molecular_Weight	236.25
86398	Total_Formal_Charge	0
3021	Undefined_Atom_Stereo_Count	13
73851	Non-hydrogen_Atom_Count	16
5324278	Molecular_Weight	87.12
29858	Isotope_Atom_Count	0
72200166	Undefined_Atom_Stereo_Count	0
57887199	Defined_Atom_Stereo_Count	0
66342	Defined_Atom_Stereo_Count	0
95259	Defined_Bond_Stereo_Count	0
26929	Hydrogen_Bond_Donor_Count	1
21668201	Mono_Isotopic_Weight	299.07700353
11083833	Structure_Complexity	102
156970	Hydrogen_Bond_Donor_Count	0
6713	Tautomer_Count	1
45266540	Structure_Complexity	1470
1261	Mono_Isotopic_Weight	327.1278028
117214253	Defined_Bond_Stereo_Count	0
11786594	Mono_Isotopic_Weight	583.23522170
80660	TPSA	9.2
76335	Hydrogen_Bond_Acceptor_Count	1
12296	Undefined_Bond_Stereo_Count	0
75819	Total_Formal_Charge	0
12359612	Undefined_Bond_Stereo_Count	0
639643	Total_Formal_Charge	0
91129494	TPSA	192
27775	Covalent_Unit_Count	1
206245	Exact_Mass	129.06122053
66296	Tautomer_Count	6
10197668	Rotatable_Bond_Count	3
13362585	Defined_Atom_Stereo_Count	0
6328657	Hydrogen_Bond_Acceptor_Count	13
104904	Total_Formal_Charge	0
3081411	TPSA	340
158980	Structure_Complexity	148
440266	Tautomer_Count	2
11149862	Rotatable_Bond_Count	3
10920474	Undefined_Bond_Stereo_Count	0
62351	Exact_Mass	147.01764164
7060	Exact_Mass	143.073499291
139670117	XLogP3-AA	0.9
11236560	Structure_Complexity	675
129851046	TPSA	37.3
131801066	Exact_Mass	774.17565762
67214459	Isotope_Atom_Count	0
8052	Molecular_Weight	116.16
5495	Exact_Mass	320.11946368
123919	Rotatable_Bond_Count	0
24351	Isotope_Atom_Count	0
7852	TPSA	26
14079	Mono_Isotopic_Weight	109.052763847
19380118	TPSA	13.1
30107	Covalent_Unit_Count	1
611887	Undefined_Bond_Stereo_Count	0
71573986	XLogP3-AA	1.3
26295	Structure_Complexity	175
63650	Hydrogen_Bond_Acceptor_Count	4
70686471	Isotope_Atom_Count	0
64427	Defined_Atom_Stereo_Count	0
552549	Covalent_Unit_Count	1
9885850	Exact_Mass	371.9538468
22227703	Tautomer_Count	3
5361092	Hydrogen_Bond_Donor_Count	2
88889699	Rotatable_Bond_Count	0
500460	Molecular_Weight	208.25
9875401	Isotope_Atom_Count	0
44560080	Defined_Atom_Stereo_Count	9
79345	Defined_Atom_Stereo_Count	0
67515	XLogP3-AA	1
43536	Non-hydrogen_Atom_Count	26
18622372	Hydrogen_Bond_Donor_Count	0
12213229	TPSA	75.3
24848260	TPSA	54.1
9366	Undefined_Bond_Stereo_Count	0
75227	Rotatable_Bond_Count	1
2396	Exact_Mass	412.18992602
53723365	Rotatable_Bond_Count	2
6392641	Exact_Mass	824.368622
3292	Undefined_Atom_Stereo_Count	1
85538176	Undefined_Atom_Stereo_Count	0
58265608	Mono_Isotopic_Weight	100.100048391
84141	Defined_Bond_Stereo_Count	0
5384876	Exact_Mass	653.21084017
23278030	Defined_Atom_Stereo_Count	0
7078557	Defined_Bond_Stereo_Count	0
46944253	Molecular_Weight	468.2
5462328	Exact_Mass	369.15762283
524670	Hydrogen_Bond_Acceptor_Count	0
126011	Defined_Atom_Stereo_Count	0
68365444	Covalent_Unit_Count	1
10931	Non-hydrogen_Atom_Count	7
681	Structure_Complexity	119
108068	XLogP3-AA	2.3
78398	Molecular_Weight	198.72
718	Isotope_Atom_Count	0
6539985	Defined_Atom_Stereo_Count	0
9648	Defined_Atom_Stereo_Count	0
49853507	Covalent_Unit_Count	2
501640	Molecular_Weight	289.41
84647611	Non-hydrogen_Atom_Count	7
13205839	TPSA	29
20275	Undefined_Bond_Stereo_Count	0
612687	Mono_Isotopic_Weight	218.03275668
90470	Exact_Mass	112.052429494
6973628	Isotope_Atom_Count	0
1519	Defined_Atom_Stereo_Count	0
68764493	Hydrogen_Bond_Donor_Count	1
7791	Total_Formal_Charge	0
264090	Hydrogen_Bond_Donor_Count	0
16732168	Total_Formal_Charge	0
11446375	Total_Formal_Charge	0
107871	Total_Formal_Charge	0
373077	Hydrogen_Bond_Acceptor_Count	2
54311720	Undefined_Bond_Stereo_Count	0
10322586	Molecular_Weight	472.6
673845	Rotatable_Bond_Count	3
90829771	Non-hydrogen_Atom_Count	7
16211288	Tautomer_Count	2
88209	Non-hydrogen_Atom_Count	12
91089723	Total_Formal_Charge	0
89582531	Hydrogen_Bond_Donor_Count	1
41092	Molecular_Weight	138.21
109022	Covalent_Unit_Count	1
11399764	Covalent_Unit_Count	1
111026	Undefined_Atom_Stereo_Count	1
10597	Rotatable_Bond_Count	0
24967621	Exact_Mass	481.23654186
5156	Total_Formal_Charge	0
443939	TPSA	206
461279	Defined_Bond_Stereo_Count	0
400189	Molecular_Weight	439.5
2784	Non-hydrogen_Atom_Count	26
6944	Undefined_Bond_Stereo_Count	0
24900942	XLogP3-AA	3.3
87363	Non-hydrogen_Atom_Count	7
6166	XLogP3	2.9
78031	Hydrogen_Bond_Donor_Count	1
11829372	Non-hydrogen_Atom_Count	7
542338	Non-hydrogen_Atom_Count	7
22627013	Rotatable_Bond_Count	1
2761494	Tautomer_Count	5
8916	Hydrogen_Bond_Acceptor_Count	1
10867	XLogP3-AA	3.9
23568550	Rotatable_Bond_Count	1
23757	Covalent_Unit_Count	1
159190124	TPSA	279
61986	Covalent_Unit_Count	2
561376	Isotope_Atom_Count	0
84878	Defined_Bond_Stereo_Count	0
91981561	Hydrogen_Bond_Donor_Count	3
91061	Total_Formal_Charge	0
542606	Undefined_Atom_Stereo_Count	3
3489	Hydrogen_Bond_Acceptor_Count	6
6992032	Hydrogen_Bond_Donor_Count	2
7026	Hydrogen_Bond_Acceptor_Count	4
19802062	TPSA	64.2
36933	Isotope_Atom_Count	0
12563	Non-hydrogen_Atom_Count	13
57402653	Non-hydrogen_Atom_Count	26
10470475	Hydrogen_Bond_Donor_Count	1
3694570	Defined_Atom_Stereo_Count	0
13826	Mono_Isotopic_Weight	118.04907545
74087	Non-hydrogen_Atom_Count	6
12353957	Undefined_Atom_Stereo_Count	2
5281034	Isotope_Atom_Count	0
76478	Mono_Isotopic_Weight	206.13382109
5748846	Molecular_Weight	523.6
67950444	Defined_Atom_Stereo_Count	2
14505	Exact_Mass	110.036779430
78514	Undefined_Bond_Stereo_Count	0
123608	Hydrogen_Bond_Acceptor_Count	4
6474320	Total_Formal_Charge	0
897473	Hydrogen_Bond_Donor_Count	2
9825070	Total_Formal_Charge	0
6186	Molecular_Weight	397.4
62871	Undefined_Atom_Stereo_Count	0
135754	Structure_Complexity	563
134436906	Defined_Bond_Stereo_Count	0
59867303	Non-hydrogen_Atom_Count	8
19873782	Hydrogen_Bond_Acceptor_Count	4
10980	Exact_Mass	255.931856
129821327	Total_Formal_Charge	0
53881088	Non-hydrogen_Atom_Count	8
115157	Isotope_Atom_Count	0
44160137	Non-hydrogen_Atom_Count	27
970341	Non-hydrogen_Atom_Count	23
133119249	Non-hydrogen_Atom_Count	12
861	Structure_Complexity	402
398513	Hydrogen_Bond_Acceptor_Count	10
133698931	Hydrogen_Bond_Acceptor_Count	23
208921	Tautomer_Count	1
91585	Molecular_Weight	244.25
25142043	Mono_Isotopic_Weight	408.19615422
7241	Rotatable_Bond_Count	0
153856780	Undefined_Atom_Stereo_Count	0
409347	Non-hydrogen_Atom_Count	20
5184	Tautomer_Count	1
58364265	Covalent_Unit_Count	1
160458	Rotatable_Bond_Count	0
651720	Total_Formal_Charge	0
89707354	Isotope_Atom_Count	0
136394	Covalent_Unit_Count	1
688303	Structure_Complexity	388
131057	Total_Formal_Charge	0
14517	Mono_Isotopic_Weight	121.032777294
21030991	TPSA	56
54582823	XLogP3-AA	1.5
62859	Covalent_Unit_Count	3
56677003	Structure_Complexity	742
10158453	Undefined_Bond_Stereo_Count	0
70696332	Hydrogen_Bond_Donor_Count	1
522606	Mono_Isotopic_Weight	121.9382805
24946103	Hydrogen_Bond_Donor_Count	2
5213	Covalent_Unit_Count	1
516356	Undefined_Atom_Stereo_Count	0
78596	Defined_Bond_Stereo_Count	0
53297414	Isotope_Atom_Count	0
3164136	Non-hydrogen_Atom_Count	10
98086793	Undefined_Atom_Stereo_Count	0
44310721	Mono_Isotopic_Weight	415.1429471
16722120	Isotope_Atom_Count	0
760021	Exact_Mass	229.110278721
21868057	Mono_Isotopic_Weight	96.093900383
56520	Hydrogen_Bond_Acceptor_Count	3
817470	Covalent_Unit_Count	1
4616	Non-hydrogen_Atom_Count	20
66545764	Structure_Complexity	880
54682930	Undefined_Atom_Stereo_Count	0
14436067	Molecular_Weight	103.12
2724	Total_Formal_Charge	0
12303662	Mono_Isotopic_Weight	414.386166214
148022	Structure_Complexity	119
12344	Mono_Isotopic_Weight	130.099379685
3081276	Defined_Atom_Stereo_Count	7
66081	Tautomer_Count	1
12383043	Defined_Atom_Stereo_Count	0
21584147	Molecular_Weight	100.12
27655	Mono_Isotopic_Weight	151.9876363
534543	TPSA	43.4
15103	Structure_Complexity	97
9873570	XLogP3-AA	3.7
636371	Molecular_Weight	372.24
115236	Undefined_Atom_Stereo_Count	0
88836	Non-hydrogen_Atom_Count	17
21874242	Hydrogen_Bond_Donor_Count	2
535623	Exact_Mass	86.073164938
154655788	Mono_Isotopic_Weight	112.088815002
85874	Exact_Mass	245.1182566
16126898	Mono_Isotopic_Weight	524.2765481
69333956	Non-hydrogen_Atom_Count	8
14297145	Non-hydrogen_Atom_Count	16
3420996	Isotope_Atom_Count	0
10498206	Isotope_Atom_Count	0
25162932	Mono_Isotopic_Weight	239.0951158
12303424	Non-hydrogen_Atom_Count	19
59281403	XLogP3-AA	2.9
6316	TPSA	78.1
85032	XLogP3-AA	1.4
163872485	Structure_Complexity	2330
70685495	Defined_Atom_Stereo_Count	3
72734520	Isotope_Atom_Count	0
65015	Non-hydrogen_Atom_Count	36
15660	Non-hydrogen_Atom_Count	15
17860889	Hydrogen_Bond_Acceptor_Count	2
49750	Undefined_Atom_Stereo_Count	0
9962644	Mono_Isotopic_Weight	842.51400504
12385939	Structure_Complexity	111
5318386	Hydrogen_Bond_Donor_Count	1
1201445	Undefined_Bond_Stereo_Count	0
40807	Undefined_Atom_Stereo_Count	0
243575	Exact_Mass	119.058243149
75675	Defined_Bond_Stereo_Count	0
5487496	Exact_Mass	509.28897135
38911	Molecular_Weight	268.35
533840	Covalent_Unit_Count	1
13244490	Undefined_Atom_Stereo_Count	0
134695356	Non-hydrogen_Atom_Count	52
668390	XLogP3-AA	2
63333521	Undefined_Atom_Stereo_Count	1
96221	Hydrogen_Bond_Donor_Count	3
10498206	Mono_Isotopic_Weight	352.215078140
58489260	Undefined_Atom_Stereo_Count	2
12025	Undefined_Atom_Stereo_Count	0
5288390	Defined_Bond_Stereo_Count	0
348256	Rotatable_Bond_Count	1
122174240	Hydrogen_Bond_Donor_Count	2
9921	Total_Formal_Charge	0
439278	Tautomer_Count	1
442504	Non-hydrogen_Atom_Count	11
5124249	Molecular_Weight	220.27
11062312	Defined_Bond_Stereo_Count	0
19883274	Total_Formal_Charge	0
18432427	Undefined_Atom_Stereo_Count	0
21185399	Structure_Complexity	72.5
521714	Molecular_Weight	112.17
15661697	Molecular_Weight	114.10
13507601	Hydrogen_Bond_Donor_Count	1
14066	Non-hydrogen_Atom_Count	7
102318232	Covalent_Unit_Count	1
2209	Defined_Bond_Stereo_Count	0
9548637	Structure_Complexity	496
72002	XLogP3-AA	4.7
3957	Defined_Atom_Stereo_Count	0
46485	Molecular_Weight	377.4
12513422	Mono_Isotopic_Weight	96.057514874
3951	Exact_Mass	408.19367399
75657	Exact_Mass	127.099714038
75828	Hydrogen_Bond_Acceptor_Count	1
24839546	Total_Formal_Charge	0
657275	Exact_Mass	271.1451400
129317940	Mono_Isotopic_Weight	412.16814520
67619	Defined_Bond_Stereo_Count	0
10683	Hydrogen_Bond_Acceptor_Count	3
57404062	Isotope_Atom_Count	0
21658180	Total_Formal_Charge	0
58492	Isotope_Atom_Count	0
123597	Undefined_Atom_Stereo_Count	1
9957766	TPSA	105
2777982	Tautomer_Count	3
5460769	Covalent_Unit_Count	1
39223	Exact_Mass	313.0416773
13874664	Covalent_Unit_Count	1
16064	Non-hydrogen_Atom_Count	17
141289	Molecular_Weight	94.15
544591	Hydrogen_Bond_Acceptor_Count	0
44446780	XLogP3	4.5
60196332	Defined_Atom_Stereo_Count	1
11764	Rotatable_Bond_Count	0
12563179	Structure_Complexity	156
18506429	Covalent_Unit_Count	1
71443	Non-hydrogen_Atom_Count	13
6602154	Structure_Complexity	457
135564773	Undefined_Atom_Stereo_Count	0
7243	Structure_Complexity	62.9
14338	Mono_Isotopic_Weight	184.100048391
10767	TPSA	29.5
151093	Defined_Atom_Stereo_Count	4
68740500	Undefined_Bond_Stereo_Count	0
441358	Molecular_Weight	299.8
53757199	Molecular_Weight	100.12
101675604	Mono_Isotopic_Weight	663.36079323
12553931	TPSA	26.3
59519119	Undefined_Atom_Stereo_Count	1
87869859	Covalent_Unit_Count	1
5805243	Isotope_Atom_Count	0
72200357	Defined_Bond_Stereo_Count	0
69004	Covalent_Unit_Count	1
53763274	Mono_Isotopic_Weight	94.078250319
2315	Exact_Mass	421.03778277
5790	Undefined_Atom_Stereo_Count	0
65853	XLogP3-AA	1.1
71358911	Isotope_Atom_Count	0
4435	Undefined_Atom_Stereo_Count	6
38012	Non-hydrogen_Atom_Count	17
154202106	TPSA	62.7
239071	Exact_Mass	252.08585488
124201453	Isotope_Atom_Count	0
159283	Isotope_Atom_Count	0
53896476	Exact_Mass	135.104799419
56934415	Non-hydrogen_Atom_Count	47
185588	Undefined_Atom_Stereo_Count	0
14717795	Molecular_Weight	1265.4
226831	Molecular_Weight	89.14
11503827	Mono_Isotopic_Weight	474.1710204
25256832	TPSA	100
11189	Undefined_Atom_Stereo_Count	0
2816105	Total_Formal_Charge	0
4317	Undefined_Bond_Stereo_Count	0
12727651	Non-hydrogen_Atom_Count	7
90047364	TPSA	62.7
8406	Hydrogen_Bond_Donor_Count	1
129728843	Hydrogen_Bond_Acceptor_Count	2
78609	Rotatable_Bond_Count	10
94973	Hydrogen_Bond_Acceptor_Count	2
5284585	Isotope_Atom_Count	0
100930731	Molecular_Weight	96.13
123611214	Covalent_Unit_Count	1
166033	Tautomer_Count	1
6918651	Undefined_Atom_Stereo_Count	0
23694217	Defined_Atom_Stereo_Count	6
46225290	Covalent_Unit_Count	1
118253852	Isotope_Atom_Count	0
7826	Total_Formal_Charge	0
9571109	TPSA	107
23681223	Isotope_Atom_Count	0
3283	Hydrogen_Bond_Donor_Count	0
18382	Hydrogen_Bond_Acceptor_Count	2
130802	Hydrogen_Bond_Donor_Count	1
71608540	Mono_Isotopic_Weight	598.35592871
20836217	Hydrogen_Bond_Donor_Count	0
9797657	Exact_Mass	295.11839862
44251605	Molecular_Weight	320.4
21720414	Undefined_Bond_Stereo_Count	0
134338399	Undefined_Bond_Stereo_Count	0
57484773	TPSA	0
52950127	Mono_Isotopic_Weight	397.16018325
656954	Defined_Bond_Stereo_Count	0
58902739	Undefined_Atom_Stereo_Count	1
5311036	Undefined_Bond_Stereo_Count	0
14404	TPSA	28
277694	Exact_Mass	500.016289
5426	Structure_Complexity	449
34697	Non-hydrogen_Atom_Count	27
54033586	Undefined_Atom_Stereo_Count	2
57475673	Molecular_Weight	125.4
58463204	Molecular_Weight	108.18
15239355	Structure_Complexity	69.2
23664980	Undefined_Bond_Stereo_Count	0
25150856	Isotope_Atom_Count	0
6413	Hydrogen_Bond_Donor_Count	0
9793733	Defined_Bond_Stereo_Count	0
91649	Undefined_Bond_Stereo_Count	0
2678	Undefined_Bond_Stereo_Count	0
12715	Isotope_Atom_Count	0
3312	Undefined_Bond_Stereo_Count	4
14371531	Total_Formal_Charge	0
157690	Exact_Mass	540.13779329
3831	Undefined_Atom_Stereo_Count	5
25255	XLogP3-AA	2.9
71509158	Molecular_Weight	717.6
65955	Tautomer_Count	6
12240030	Isotope_Atom_Count	0
222073	Molecular_Weight	134.56
87481019	Total_Formal_Charge	0
142403638	Defined_Atom_Stereo_Count	0
10102	Molecular_Weight	204.35
22906680	Exact_Mass	109.052763847
87480477	Rotatable_Bond_Count	3
55276371	Hydrogen_Bond_Donor_Count	0
118705487	Hydrogen_Bond_Donor_Count	4
13384041	Molecular_Weight	332.31
46907787	Total_Formal_Charge	0
70693519	Hydrogen_Bond_Acceptor_Count	8
279451	Defined_Bond_Stereo_Count	0
102161032	Defined_Bond_Stereo_Count	0
23692128	Total_Formal_Charge	0
72075	Rotatable_Bond_Count	4
44345559	TPSA	46.9
74886	Total_Formal_Charge	0
15054176	TPSA	58.7
70465919	Covalent_Unit_Count	1
72743	Total_Formal_Charge	0
3045335	Defined_Bond_Stereo_Count	0
130271321	XLogP3-AA	0.8
2734180	Defined_Bond_Stereo_Count	0
46795	Molecular_Weight	302.21
985126	Covalent_Unit_Count	1
123870	Non-hydrogen_Atom_Count	11
130026605	Exact_Mass	94.041864811
67233382	Exact_Mass	367.12560926
1550887	Undefined_Bond_Stereo_Count	0
67329	Isotope_Atom_Count	0
71517531	XLogP3-AA	3.1
102446	Defined_Bond_Stereo_Count	0
657237	Mono_Isotopic_Weight	285.08733204
13454	Mono_Isotopic_Weight	261.06709375
5702096	Defined_Atom_Stereo_Count	3
96354	Rotatable_Bond_Count	7
13884	Total_Formal_Charge	0
69341756	Molecular_Weight	113.11
60196318	Molecular_Weight	358.9
67292089	Non-hydrogen_Atom_Count	35
10500527	Mono_Isotopic_Weight	389.05447821
98733	Total_Formal_Charge	0
13327304	Defined_Atom_Stereo_Count	0
8101	Defined_Bond_Stereo_Count	0
123920	Hydrogen_Bond_Donor_Count	1
11258980	TPSA	92.3
134692058	Exact_Mass	448.17333247
456190	Isotope_Atom_Count	0
30773	Hydrogen_Bond_Acceptor_Count	6
112029	Hydrogen_Bond_Donor_Count	1
11366954	Molecular_Weight	97.12
6300	Undefined_Bond_Stereo_Count	0
18542107	Isotope_Atom_Count	0
139323923	Hydrogen_Bond_Donor_Count	5
139087298	Exact_Mass	255.10414797
27197	Covalent_Unit_Count	1
11457	Non-hydrogen_Atom_Count	10
355	Molecular_Weight	166.13
3034319	TPSA	47.4
31640	Tautomer_Count	2
13922	Hydrogen_Bond_Acceptor_Count	8
6436924	Defined_Atom_Stereo_Count	0
42955	XLogP3	3.7
46174141	Defined_Bond_Stereo_Count	1
8051	Structure_Complexity	66.8
19935381	Defined_Bond_Stereo_Count	0
65752	Exact_Mass	287.105862047
5357253	XLogP3-AA	3.6
5709	Hydrogen_Bond_Acceptor_Count	1
25295	Defined_Bond_Stereo_Count	0
121494085	Hydrogen_Bond_Acceptor_Count	55
12502855	Rotatable_Bond_Count	0
11513721	Defined_Bond_Stereo_Count	1
71679	TPSA	83.2
12694	Mono_Isotopic_Weight	126.9591691
98497	Covalent_Unit_Count	1
534471	Hydrogen_Bond_Acceptor_Count	2
623849	Exact_Mass	290.130679813
52945260	Undefined_Bond_Stereo_Count	0
542556	Defined_Bond_Stereo_Count	0
10267	Mono_Isotopic_Weight	339.99604987
115374	Hydrogen_Bond_Donor_Count	1
18393	Structure_Complexity	51.9
550642	XLogP3-AA	1.1
57396887	Non-hydrogen_Atom_Count	24
135445165	Mono_Isotopic_Weight	411.14705815
38350	Hydrogen_Bond_Donor_Count	0
24848343	Mono_Isotopic_Weight	254.0267192
168924	Isotope_Atom_Count	0
91114160	Undefined_Bond_Stereo_Count	0
5281771	TPSA	324
6435	Defined_Atom_Stereo_Count	0
4162	Covalent_Unit_Count	1
3083758	Molecular_Weight	145.55
57458936	Hydrogen_Bond_Acceptor_Count	28
42884	Undefined_Bond_Stereo_Count	0
21087	Molecular_Weight	294.4
6604200	Hydrogen_Bond_Donor_Count	1
13050985	Undefined_Atom_Stereo_Count	1
15773	Rotatable_Bond_Count	9
9805635	Mono_Isotopic_Weight	491.23212518
86278362	Undefined_Atom_Stereo_Count	0
643587	Hydrogen_Bond_Acceptor_Count	0
9960569	Undefined_Atom_Stereo_Count	0
96570	Exact_Mass	272.01188512
6321411	Undefined_Bond_Stereo_Count	0
51346127	Exact_Mass	602.43351033
162290	Non-hydrogen_Atom_Count	46
20674252	Non-hydrogen_Atom_Count	7
61285	Hydrogen_Bond_Donor_Count	1
1241420	Isotope_Atom_Count	0
21670825	Defined_Atom_Stereo_Count	5
10197619	Rotatable_Bond_Count	1
5211	Non-hydrogen_Atom_Count	26
271	Total_Formal_Charge	2
6132	Rotatable_Bond_Count	6
14976610	Undefined_Bond_Stereo_Count	0
59336	Exact_Mass	366.19434270
126505488	Hydrogen_Bond_Acceptor_Count	5
852452	Defined_Atom_Stereo_Count	0
19788587	Total_Formal_Charge	0
556306	Non-hydrogen_Atom_Count	8
16213460	Defined_Atom_Stereo_Count	0
578771	Total_Formal_Charge	0
6436043	Rotatable_Bond_Count	5
196330	Undefined_Bond_Stereo_Count	0
40146	Molecular_Weight	240.30
34230	Structure_Complexity	1230
43966	Rotatable_Bond_Count	4
852452	Rotatable_Bond_Count	2
12933763	Hydrogen_Bond_Donor_Count	1
79691	Isotope_Atom_Count	0
9897412	Rotatable_Bond_Count	11
104150	XLogP3-AA	1.2
1792	Undefined_Atom_Stereo_Count	0
324	Isotope_Atom_Count	0
12309464	Hydrogen_Bond_Acceptor_Count	4
66882078	Hydrogen_Bond_Donor_Count	1
141344	Exact_Mass	84.057514874
97754	Rotatable_Bond_Count	1
333942	TPSA	91.8
10441670	Structure_Complexity	77.7
77544	Rotatable_Bond_Count	4
11137094	Exact_Mass	94.078250319
47932	Total_Formal_Charge	0
13624042	Molecular_Weight	95.10
56680336	Hydrogen_Bond_Acceptor_Count	8
935707	Covalent_Unit_Count	1
131839562	Hydrogen_Bond_Acceptor_Count	13
129016768	Hydrogen_Bond_Acceptor_Count	2
82291	Mono_Isotopic_Weight	93.0345270
44120020	Defined_Bond_Stereo_Count	0
69341027	Hydrogen_Bond_Acceptor_Count	2
3082718	Covalent_Unit_Count	1
6454737	Isotope_Atom_Count	0
472946	Isotope_Atom_Count	0
162171	XLogP3	2.5
67247971	Isotope_Atom_Count	0
98458	Total_Formal_Charge	0
5624	Mono_Isotopic_Weight	520.35257467
160458	TPSA	40.5
24785538	Mono_Isotopic_Weight	461.20878459
15774823	Structure_Complexity	106
76997051	Covalent_Unit_Count	1
20553	Structure_Complexity	70.9
45116605	Mono_Isotopic_Weight	100.100048391
8272	Undefined_Atom_Stereo_Count	0
6971042	Hydrogen_Bond_Donor_Count	4
86240135	Undefined_Bond_Stereo_Count	0
71651624	Molecular_Weight	97.12
3544	Undefined_Bond_Stereo_Count	0
12211348	Defined_Bond_Stereo_Count	0
23565353	Isotope_Atom_Count	0
7549	Isotope_Atom_Count	0
3533588	Hydrogen_Bond_Donor_Count	2
53260965	Isotope_Atom_Count	0
234475	Defined_Bond_Stereo_Count	0
6171	TPSA	70.4
78609	Molecular_Weight	434.5
9940690	Mono_Isotopic_Weight	814.32592949
16487	Hydrogen_Bond_Donor_Count	4
24759089	Exact_Mass	432.17975526
78723	Structure_Complexity	403
71070	Hydrogen_Bond_Acceptor_Count	4
11426929	Defined_Atom_Stereo_Count	0
54063593	Total_Formal_Charge	0
38040	Hydrogen_Bond_Acceptor_Count	0
57916384	Defined_Bond_Stereo_Count	0
6971017	Structure_Complexity	89.6
19016	Tautomer_Count	1
2734956	Mono_Isotopic_Weight	159.0450916
135457302	Isotope_Atom_Count	0
5080759	Structure_Complexity	164
12213229	Hydrogen_Bond_Acceptor_Count	4
22720	Non-hydrogen_Atom_Count	7
145755	Tautomer_Count	9
54276448	Defined_Atom_Stereo_Count	0
445375	Undefined_Bond_Stereo_Count	0
557134	Mono_Isotopic_Weight	112.052429494
261075	Rotatable_Bond_Count	4
69663	TPSA	26
9956119	Undefined_Bond_Stereo_Count	0
74195	Molecular_Weight	266.4
8408	Covalent_Unit_Count	1
230	Molecular_Weight	230.11
22932	Undefined_Bond_Stereo_Count	0
9481	Defined_Bond_Stereo_Count	0
67434749	TPSA	52
161729	Undefined_Bond_Stereo_Count	0
129735833	Defined_Atom_Stereo_Count	0
135673987	Undefined_Atom_Stereo_Count	0
501	Undefined_Atom_Stereo_Count	1
21058179	Defined_Bond_Stereo_Count	0
6996	Covalent_Unit_Count	1
315411	Undefined_Bond_Stereo_Count	0
6640	XLogP3	1.9
21786	Hydrogen_Bond_Donor_Count	1
125110	Undefined_Bond_Stereo_Count	0
91384976	Mono_Isotopic_Weight	665.30474055
3480590	Exact_Mass	252.06338810
1024	TPSA	175
23670844	Total_Formal_Charge	0
7022	Mono_Isotopic_Weight	239.02522894
5365369	Rotatable_Bond_Count	19
12787246	Defined_Bond_Stereo_Count	0
57400037	Mono_Isotopic_Weight	434.05538
148816436	Defined_Atom_Stereo_Count	0
58528	Exact_Mass	256.121177757
71586806	Undefined_Atom_Stereo_Count	0
447213	Undefined_Atom_Stereo_Count	0
15778463	Covalent_Unit_Count	1
54587656	Covalent_Unit_Count	1
8310	Isotope_Atom_Count	0
20298629	Non-hydrogen_Atom_Count	13
148931547	Mono_Isotopic_Weight	1201.84136802
12556661	Molecular_Weight	124.22
65708	Hydrogen_Bond_Donor_Count	2
94715	Molecular_Weight	194.14
70695616	TPSA	3080
12720844	Structure_Complexity	112
81832	Hydrogen_Bond_Donor_Count	3
28340	Exact_Mass	282.15795719
16994	Exact_Mass	208.12283153
441364	Undefined_Bond_Stereo_Count	0
20090050	Hydrogen_Bond_Donor_Count	1
45052197	Hydrogen_Bond_Acceptor_Count	0
59712821	Defined_Atom_Stereo_Count	0
8341	Covalent_Unit_Count	1
22052176	Hydrogen_Bond_Donor_Count	1
62333	Undefined_Atom_Stereo_Count	2
25185057	Exact_Mass	507.30184471
57768583	Isotope_Atom_Count	0
137031	Total_Formal_Charge	0
74561	TPSA	54.7
95456	Mono_Isotopic_Weight	117.078978594
91089431	Total_Formal_Charge	0
59966641	Mono_Isotopic_Weight	416.32904526
7058	Defined_Atom_Stereo_Count	0
3498	Hydrogen_Bond_Acceptor_Count	4
10454	XLogP3-AA	1.3
88332	Hydrogen_Bond_Donor_Count	0
3702	Covalent_Unit_Count	1
4112	Mono_Isotopic_Weight	454.17131583
166592	Defined_Bond_Stereo_Count	0
69341756	Covalent_Unit_Count	1
11481426	Structure_Complexity	254
16050550	XLogP3-AA	3.2
69333875	Undefined_Atom_Stereo_Count	0
135392883	Covalent_Unit_Count	1
98282	Isotope_Atom_Count	0
562	Hydrogen_Bond_Acceptor_Count	4
12498	Molecular_Weight	290.19
76973133	Structure_Complexity	418
5401	Covalent_Unit_Count	1
550922	Defined_Atom_Stereo_Count	0
60796	Structure_Complexity	402
162127	Defined_Bond_Stereo_Count	0
6331075	Hydrogen_Bond_Donor_Count	2
53857340	Defined_Atom_Stereo_Count	10
431097	XLogP3-AA	0.8
448537	Mono_Isotopic_Weight	268.146329876
76735	Structure_Complexity	296
16760328	Rotatable_Bond_Count	13
8107	Defined_Atom_Stereo_Count	0
5460094	Total_Formal_Charge	0
45488113	Defined_Bond_Stereo_Count	0
131675085	Defined_Bond_Stereo_Count	0
10290728	Total_Formal_Charge	0
5460348	Covalent_Unit_Count	1
351917	Mono_Isotopic_Weight	198.0018471
81233	Non-hydrogen_Atom_Count	14
441345	Mono_Isotopic_Weight	427.1550360
11655069	Mono_Isotopic_Weight	438.1016207
6917972	Isotope_Atom_Count	0
5384136	Covalent_Unit_Count	2
53839028	Non-hydrogen_Atom_Count	7
67383967	Defined_Bond_Stereo_Count	0
13699300	Mono_Isotopic_Weight	116.047344113
198231	Rotatable_Bond_Count	3
4580	Hydrogen_Bond_Donor_Count	3
58018940	Non-hydrogen_Atom_Count	8
9576891	Hydrogen_Bond_Acceptor_Count	5
5358907	Structure_Complexity	391
90997437	Exact_Mass	416.32904526
68583	Structure_Complexity	901
40933	TPSA	42.2
5299	Defined_Bond_Stereo_Count	0
511	Undefined_Atom_Stereo_Count	0
266052	Defined_Atom_Stereo_Count	0
44195571	Mono_Isotopic_Weight	521.22498894
95197	Hydrogen_Bond_Acceptor_Count	0
49867936	TPSA	168
5128450	Defined_Atom_Stereo_Count	0
15805	Exact_Mass	461.2121570
91248258	Defined_Bond_Stereo_Count	0
112039	Isotope_Atom_Count	0
21117215	Undefined_Atom_Stereo_Count	2
92043424	Undefined_Atom_Stereo_Count	21
4302960	Undefined_Atom_Stereo_Count	0
45073437	Exact_Mass	310.936458
3035440	Mono_Isotopic_Weight	308.16574516
153791162	Defined_Atom_Stereo_Count	0
361753	Isotope_Atom_Count	0
6681	Undefined_Atom_Stereo_Count	0
70697365	Undefined_Atom_Stereo_Count	0
17825268	Rotatable_Bond_Count	3
67444	Isotope_Atom_Count	0
70060	Molecular_Weight	320.16
565424	Non-hydrogen_Atom_Count	10
68198	Defined_Bond_Stereo_Count	0
53145	Isotope_Atom_Count	0
39752	TPSA	66.1
3983	Rotatable_Bond_Count	24
101671175	Defined_Atom_Stereo_Count	6
15885752	Rotatable_Bond_Count	2
9547700	Hydrogen_Bond_Acceptor_Count	1
559009	Molecular_Weight	100.16
5362118	TPSA	135
108147	Hydrogen_Bond_Donor_Count	8
6914821	TPSA	67.4
146089	Molecular_Weight	256.33
194777	Total_Formal_Charge	0
3342768	Hydrogen_Bond_Acceptor_Count	13
11977	XLogP3-AA	0.6
298	Isotope_Atom_Count	0
90109	Defined_Bond_Stereo_Count	0
628949	Tautomer_Count	3
60167543	Mono_Isotopic_Weight	500.18442974
145900	XLogP3	2.2
14912114	Molecular_Weight	106.16
76335	Rotatable_Bond_Count	2
6998296	Exact_Mass	146.08171824
20483595	Mono_Isotopic_Weight	106.053098200
34789	TPSA	12.5
14813	Mono_Isotopic_Weight	321.78220
9827529	Defined_Atom_Stereo_Count	0
246219	TPSA	64.4
23160050	Hydrogen_Bond_Donor_Count	0
12695798	TPSA	3
16683028	Isotope_Atom_Count	0
15408	Total_Formal_Charge	0
88709052	Exact_Mass	103.063328530
5352846	Defined_Atom_Stereo_Count	0
222516	Hydrogen_Bond_Donor_Count	2
40652	Covalent_Unit_Count	1
11379626	Mono_Isotopic_Weight	247.099714038
55191	Molecular_Weight	359.5
4469994	Hydrogen_Bond_Donor_Count	2
441406	Defined_Atom_Stereo_Count	7
9590	Undefined_Atom_Stereo_Count	0
9955951	Hydrogen_Bond_Donor_Count	3
17982942	TPSA	48.9
53484290	Total_Formal_Charge	0
135495951	Exact_Mass	88.027277375
56149	Mono_Isotopic_Weight	431.87194
98633	Hydrogen_Bond_Acceptor_Count	2
7102	Total_Formal_Charge	0
115118	Hydrogen_Bond_Acceptor_Count	5
64	Hydrogen_Bond_Donor_Count	2
73333	Non-hydrogen_Atom_Count	29
67511	Exact_Mass	86.036779430
117715670	Hydrogen_Bond_Acceptor_Count	5
682529	Exact_Mass	273.08234989
5280795	Defined_Bond_Stereo_Count	2
547995	Non-hydrogen_Atom_Count	7
90708518	Hydrogen_Bond_Donor_Count	1
17078	TPSA	20.2
11582982	TPSA	125
6438560	Rotatable_Bond_Count	8
44320150	Tautomer_Count	16
10946	Defined_Atom_Stereo_Count	0
21789	XLogP3-AA	1.2
65731	Non-hydrogen_Atom_Count	20
722163	Defined_Bond_Stereo_Count	0
77541	Structure_Complexity	164
22172	Non-hydrogen_Atom_Count	6
46244173	Hydrogen_Bond_Donor_Count	1
114869	TPSA	90.4
458426	Non-hydrogen_Atom_Count	14
7778	Undefined_Bond_Stereo_Count	0
10624	Molecular_Weight	284.25
30541	TPSA	29.5
101417707	Molecular_Weight	262.4
49853507	Hydrogen_Bond_Acceptor_Count	8
9215	XLogP3	3.4
56673689	Covalent_Unit_Count	1
10390369	Total_Formal_Charge	0
14195	Hydrogen_Bond_Acceptor_Count	2
8289	Undefined_Atom_Stereo_Count	0
68740	Molecular_Weight	272.09
22574	Exact_Mass	232.99940812
61812	Hydrogen_Bond_Donor_Count	0
4369414	Hydrogen_Bond_Donor_Count	1
99080	Tautomer_Count	1
123809	Undefined_Atom_Stereo_Count	1
10949861	Undefined_Bond_Stereo_Count	0
14897383	Defined_Atom_Stereo_Count	0
70848	Molecular_Weight	233.27
71586929	Structure_Complexity	212
821	Defined_Atom_Stereo_Count	0
273032	Undefined_Bond_Stereo_Count	0
11263727	Rotatable_Bond_Count	0
124655	XLogP3-AA	1.6
30619	Hydrogen_Bond_Donor_Count	1
24646	Molecular_Weight	86.90
145025	Molecular_Weight	100.16
53817503	Undefined_Bond_Stereo_Count	0
135415867	XLogP3-AA	4.4
5281771	Structure_Complexity	1230
540987	Defined_Bond_Stereo_Count	0
23669619	Defined_Bond_Stereo_Count	0
10630	Hydrogen_Bond_Acceptor_Count	3
69657541	XLogP3-AA	1.1
207	Undefined_Bond_Stereo_Count	0
9746	XLogP3	0.8
24968	Hydrogen_Bond_Donor_Count	0
22976356	Non-hydrogen_Atom_Count	10
56626	Hydrogen_Bond_Donor_Count	1
21145	Structure_Complexity	257
66646	Molecular_Weight	171.58
33721	Exact_Mass	99.068413911
6433396	Hydrogen_Bond_Acceptor_Count	4
6473876	Defined_Atom_Stereo_Count	13
19428628	Molecular_Weight	110.11
70916	Hydrogen_Bond_Donor_Count	0
664419	Mono_Isotopic_Weight	340.1090889
12313	Defined_Atom_Stereo_Count	0
75674	Hydrogen_Bond_Donor_Count	0
85495	Undefined_Bond_Stereo_Count	0
73278	Hydrogen_Bond_Acceptor_Count	3
12544003	Covalent_Unit_Count	1
3165	Molecular_Weight	319.14
55289602	Total_Formal_Charge	0
398596	Non-hydrogen_Atom_Count	17
57235	Defined_Atom_Stereo_Count	0
6917663	Rotatable_Bond_Count	3
6994776	Defined_Atom_Stereo_Count	0
11060054	Undefined_Atom_Stereo_Count	0
2762887	Defined_Bond_Stereo_Count	0
533876	Isotope_Atom_Count	0
9827982	Molecular_Weight	518.9
91514136	Structure_Complexity	86.1
44429	Defined_Bond_Stereo_Count	0
444302	Molecular_Weight	299.43
50922675	Total_Formal_Charge	0
49652	Undefined_Atom_Stereo_Count	0
6433198	Molecular_Weight	830.3
15505	Defined_Atom_Stereo_Count	0
8882	Structure_Complexity	38
12777	Non-hydrogen_Atom_Count	10
91505	Isotope_Atom_Count	0
135297777	Structure_Complexity	733
135425186	TPSA	106
124524515	Undefined_Bond_Stereo_Count	0
106195	Hydrogen_Bond_Donor_Count	1
57156265	Mono_Isotopic_Weight	108.057514874
54765302	Total_Formal_Charge	0
5534	Hydrogen_Bond_Donor_Count	0
1382042	Isotope_Atom_Count	0
7768	Total_Formal_Charge	0
2308	Molecular_Weight	408.9
10348973	Defined_Atom_Stereo_Count	0
160212	Molecular_Weight	211.64
3916406	Mono_Isotopic_Weight	196.04840674
3049771	Hydrogen_Bond_Acceptor_Count	4
12367599	Isotope_Atom_Count	0
12359612	XLogP3-AA	1.7
20442	Rotatable_Bond_Count	11
11338033	Defined_Atom_Stereo_Count	0
12830097	Isotope_Atom_Count	0
53856389	XLogP3-AA	1.1
11137142	Isotope_Atom_Count	0
3327	Mono_Isotopic_Weight	222.198365449
66137	Tautomer_Count	1
13037933	Total_Formal_Charge	0
13049377	Exact_Mass	114.068079557
70144	Mono_Isotopic_Weight	164.047344113
6917795	Mono_Isotopic_Weight	406.27192431
79964	Hydrogen_Bond_Donor_Count	1
154169739	XLogP3-AA	2.3
2455	XLogP3-AA	3.8
16219464	Mono_Isotopic_Weight	527.23263824
68841	Exact_Mass	185.00892397
5368053	Hydrogen_Bond_Acceptor_Count	5
12951488	Isotope_Atom_Count	0
13363033	Defined_Bond_Stereo_Count	0
137184495	Non-hydrogen_Atom_Count	31
5279171	XLogP3-AA	3.3
154518019	Exact_Mass	82.053098200
5311070	Total_Formal_Charge	0
12623293	Tautomer_Count	1
15474	Covalent_Unit_Count	2
37888437	Isotope_Atom_Count	0
138757296	Exact_Mass	105.032697108
9928016	Hydrogen_Bond_Acceptor_Count	4
57461868	Defined_Bond_Stereo_Count	0
5043	Molecular_Weight	570.4
128832	Undefined_Atom_Stereo_Count	0
134572252	Structure_Complexity	98.6
66678	Total_Formal_Charge	0
44421047	Mono_Isotopic_Weight	923.48784986
70233	Isotope_Atom_Count	0
427860	Isotope_Atom_Count	0
21987892	Isotope_Atom_Count	0
61315	Total_Formal_Charge	0
74096	Isotope_Atom_Count	0
219093	Exact_Mass	353.0367680
56662035	Non-hydrogen_Atom_Count	37
408714	XLogP3-AA	0.3
44571098	Non-hydrogen_Atom_Count	32
90479276	Structure_Complexity	1410
23675320	TPSA	141
25008941	Total_Formal_Charge	0
20852	Defined_Bond_Stereo_Count	0
23465004	Defined_Atom_Stereo_Count	0
18616052	Hydrogen_Bond_Donor_Count	2
78836	Defined_Bond_Stereo_Count	0
19049960	Undefined_Bond_Stereo_Count	0
159199	Undefined_Atom_Stereo_Count	0
57394195	Total_Formal_Charge	0
13270940	Hydrogen_Bond_Acceptor_Count	1
123458	TPSA	35.2
931	Defined_Bond_Stereo_Count	0
6437827	Non-hydrogen_Atom_Count	24
5242420	Structure_Complexity	297
129851390	Isotope_Atom_Count	0
119391	Isotope_Atom_Count	0
668620	Exact_Mass	310.13511374
13570	Structure_Complexity	39.2
2351	Structure_Complexity	382
163050684	Total_Formal_Charge	0
10975417	Molecular_Weight	99.17
50938	Mono_Isotopic_Weight	257.177964357
53469448	TPSA	77
19143	Rotatable_Bond_Count	2
49750	Isotope_Atom_Count	0
51763	Non-hydrogen_Atom_Count	16
54686183	Exact_Mass	1024.3123164
54046888	Undefined_Atom_Stereo_Count	1
34327	Hydrogen_Bond_Acceptor_Count	0
13262524	TPSA	25.8
66412	Rotatable_Bond_Count	1
74406	Undefined_Atom_Stereo_Count	0
5477380	Hydrogen_Bond_Acceptor_Count	7
12529	Structure_Complexity	52.5
9914412	Defined_Atom_Stereo_Count	0
10382	Undefined_Atom_Stereo_Count	0
12495	Hydrogen_Bond_Donor_Count	0
74070	Total_Formal_Charge	0
5259916	Structure_Complexity	134
3878	Defined_Atom_Stereo_Count	0
20055397	Covalent_Unit_Count	1
76080	Total_Formal_Charge	0
12964	Structure_Complexity	84.2
19674	Total_Formal_Charge	0
16665100	Rotatable_Bond_Count	11
12920383	Defined_Atom_Stereo_Count	0
50925625	Defined_Bond_Stereo_Count	0
62760	Undefined_Atom_Stereo_Count	0
65427	Isotope_Atom_Count	0
5289382	Hydrogen_Bond_Donor_Count	7
5483847	Defined_Atom_Stereo_Count	1
47466	XLogP3-AA	4.3
31355	Structure_Complexity	201
82259	Isotope_Atom_Count	0
17652	Non-hydrogen_Atom_Count	11
6114	Non-hydrogen_Atom_Count	12
9547	Mono_Isotopic_Weight	174.141993387
9796440	Structure_Complexity	34.6
101016656	Covalent_Unit_Count	5
11654876	Rotatable_Bond_Count	7
23551	Mono_Isotopic_Weight	290.199428076
59350891	Undefined_Bond_Stereo_Count	0
7096	TPSA	15.3
5756	Isotope_Atom_Count	0
222786	XLogP3	1.5
6063	Molecular_Weight	479.0
6184	Covalent_Unit_Count	1
12606301	Defined_Atom_Stereo_Count	0
255	Undefined_Bond_Stereo_Count	0
13346655	XLogP3-AA	1.2
89811	Undefined_Bond_Stereo_Count	0
26421	TPSA	20.3
5625	Structure_Complexity	749
167495	Isotope_Atom_Count	0
12271349	Exact_Mass	110.073164938
92921	Exact_Mass	390.18425212
5497123	Structure_Complexity	345
6227	XLogP3	0.4
9856149	XLogP3-AA	5.2
10882	Total_Formal_Charge	0
93738	Isotope_Atom_Count	0
8446	Tautomer_Count	1
252499	XLogP3-AA	2.5
22866	Covalent_Unit_Count	3
78202	Structure_Complexity	129
24866358	Structure_Complexity	635
2442	Total_Formal_Charge	0
3497	Hydrogen_Bond_Acceptor_Count	4
16749605	Hydrogen_Bond_Acceptor_Count	1
12724622	TPSA	20.2
72941505	Tautomer_Count	1
17572160	Rotatable_Bond_Count	31
21124335	Tautomer_Count	3
145961	Defined_Atom_Stereo_Count	0
13462	Defined_Bond_Stereo_Count	0
304265	Exact_Mass	108.068748264
7559	Defined_Atom_Stereo_Count	0
442504	Hydrogen_Bond_Donor_Count	0
359231	Structure_Complexity	96.6
8901	XLogP3-AA	1.2
146682529	Undefined_Atom_Stereo_Count	0
11669987	Total_Formal_Charge	0
8497	Hydrogen_Bond_Acceptor_Count	4
19352565	Defined_Bond_Stereo_Count	0
138440	Undefined_Bond_Stereo_Count	0
107802	Covalent_Unit_Count	1
58655	Hydrogen_Bond_Donor_Count	4
449355	TPSA	102
115268	Total_Formal_Charge	0
4536	XLogP3	3
9841972	XLogP3-AA	0.9
3642	Rotatable_Bond_Count	6
21630	Tautomer_Count	1
70310	Undefined_Atom_Stereo_Count	0
61325	Defined_Bond_Stereo_Count	0
441328	Non-hydrogen_Atom_Count	18
69957602	Exact_Mass	113.084063974
20654321	Undefined_Bond_Stereo_Count	0
3641725	Undefined_Bond_Stereo_Count	0
121733	Rotatable_Bond_Count	3
62525	Isotope_Atom_Count	0
408	Isotope_Atom_Count	0
71560661	Non-hydrogen_Atom_Count	18
5281899	Total_Formal_Charge	0
52920469	Mono_Isotopic_Weight	441.1138572
2394	Exact_Mass	1156.40524244
5282350	Covalent_Unit_Count	1
10130270	Defined_Bond_Stereo_Count	0
138397	Undefined_Atom_Stereo_Count	0
521020	Tautomer_Count	1
12634655	Structure_Complexity	109
154183660	Defined_Atom_Stereo_Count	0
16687131	Mono_Isotopic_Weight	110.109550447
10725321	Rotatable_Bond_Count	2
14925	Structure_Complexity	192
139062656	Molecular_Weight	2357.2
139085816	Non-hydrogen_Atom_Count	19
12287	Defined_Atom_Stereo_Count	0
76013	Defined_Bond_Stereo_Count	0
7850	Tautomer_Count	1
4609	TPSA	76.6
62995	Hydrogen_Bond_Acceptor_Count	7
11954316	Rotatable_Bond_Count	6
52361	Rotatable_Bond_Count	7
22561495	Molecular_Weight	223.31
129010338	Mono_Isotopic_Weight	416.32904526
7551	Covalent_Unit_Count	1
21852125	Non-hydrogen_Atom_Count	14
21441185	Isotope_Atom_Count	0
10975416	Defined_Atom_Stereo_Count	0
66783827	Undefined_Atom_Stereo_Count	2
25184541	Covalent_Unit_Count	1
22906680	Hydrogen_Bond_Acceptor_Count	1
14041489	Isotope_Atom_Count	0
71743842	Undefined_Atom_Stereo_Count	1
82993	Hydrogen_Bond_Donor_Count	0
2747993	Total_Formal_Charge	0
44258	Defined_Atom_Stereo_Count	0
133561657	Structure_Complexity	1040
21622656	Defined_Atom_Stereo_Count	0
222548	Hydrogen_Bond_Acceptor_Count	0
11208	Mono_Isotopic_Weight	72.057514874
28871	TPSA	78.4
118975693	Rotatable_Bond_Count	1
433956	Undefined_Atom_Stereo_Count	2
73216	Isotope_Atom_Count	0
12566815	Non-hydrogen_Atom_Count	16
79608	Defined_Bond_Stereo_Count	0
146474222	Exact_Mass	114.068079557
74219	Total_Formal_Charge	0
3082654	Total_Formal_Charge	0
21354474	Total_Formal_Charge	0
92729	Mono_Isotopic_Weight	416.365430770
91063960	Undefined_Atom_Stereo_Count	0
123168	Structure_Complexity	51.3
3722461	Undefined_Bond_Stereo_Count	0
110964	Rotatable_Bond_Count	0
3187	Mono_Isotopic_Weight	359.21686904
13168503	Exact_Mass	123.99254563
5497195	Defined_Atom_Stereo_Count	2
77991	Structure_Complexity	269
149790	Hydrogen_Bond_Donor_Count	2
123209	Molecular_Weight	140.14
14260	Rotatable_Bond_Count	11
2745687	Hydrogen_Bond_Acceptor_Count	7
25023836	Rotatable_Bond_Count	7
45784923	Covalent_Unit_Count	1
7543	Exact_Mass	266.0377538
15065	Defined_Atom_Stereo_Count	0
15617	XLogP3-AA	0.4
58877	Tautomer_Count	1
27756	Tautomer_Count	1
123891134	Undefined_Atom_Stereo_Count	4
107805	Exact_Mass	293.152812238
95542	Total_Formal_Charge	0
6973640	Non-hydrogen_Atom_Count	11
9219	Molecular_Weight	118.14
59693921	Mono_Isotopic_Weight	111.043261792
52942291	Defined_Atom_Stereo_Count	1
72521	Hydrogen_Bond_Donor_Count	3
5327006	Defined_Atom_Stereo_Count	1
5323977	Molecular_Weight	114.10
19360868	Defined_Atom_Stereo_Count	0
5281718	Structure_Complexity	506
16679	Defined_Bond_Stereo_Count	0
20385080	Non-hydrogen_Atom_Count	8
6991	Structure_Complexity	153
65702	Isotope_Atom_Count	0
17090	Undefined_Bond_Stereo_Count	0
122173994	Undefined_Atom_Stereo_Count	0
444183	Hydrogen_Bond_Donor_Count	4
133568445	Structure_Complexity	1370
16693	Defined_Bond_Stereo_Count	0
48870	Rotatable_Bond_Count	6
77287	Hydrogen_Bond_Acceptor_Count	1
440728	Defined_Bond_Stereo_Count	0
87074	TPSA	20.2
24386	Covalent_Unit_Count	1
90916291	Hydrogen_Bond_Acceptor_Count	1
443933	XLogP3-AA	4.9
25229	Exact_Mass	1253.5549
2129427	Exact_Mass	309.07495584
129800133	Non-hydrogen_Atom_Count	7
60196265	Undefined_Bond_Stereo_Count	0
12413939	Undefined_Bond_Stereo_Count	0
122877	Structure_Complexity	1110
16161850	Non-hydrogen_Atom_Count	93
130026605	Undefined_Bond_Stereo_Count	0
2020	Defined_Bond_Stereo_Count	0
906815	Mono_Isotopic_Weight	345.11471265
20058737	Total_Formal_Charge	0
3001662	Non-hydrogen_Atom_Count	30
67970	Hydrogen_Bond_Acceptor_Count	2
22673292	Exact_Mass	106.062994177
19702729	TPSA	61.1
642	Total_Formal_Charge	0
57473011	Hydrogen_Bond_Donor_Count	0
25146	Rotatable_Bond_Count	8
67495	Molecular_Weight	198.29
5324108	Undefined_Atom_Stereo_Count	0
97617	Defined_Bond_Stereo_Count	0
67413	Structure_Complexity	467
16305	Structure_Complexity	162
15981894	Isotope_Atom_Count	0
11214	Molecular_Weight	548.7
40807	TPSA	177
400185	Defined_Atom_Stereo_Count	0
447994	Undefined_Atom_Stereo_Count	0
73277	Hydrogen_Bond_Donor_Count	0
24742076	Defined_Bond_Stereo_Count	0
94412	XLogP3-AA	5.6
135398687	Covalent_Unit_Count	1
10567	Molecular_Weight	126.97
60165806	Defined_Atom_Stereo_Count	1
27642	Covalent_Unit_Count	1
139080230	Defined_Bond_Stereo_Count	2
12228201	Non-hydrogen_Atom_Count	6
101977	Defined_Bond_Stereo_Count	0
89206022	Hydrogen_Bond_Donor_Count	4
44456859	Covalent_Unit_Count	1
82259	Undefined_Bond_Stereo_Count	0
70301	Undefined_Bond_Stereo_Count	0
92100	Rotatable_Bond_Count	3
445318	Hydrogen_Bond_Acceptor_Count	6
45073433	Non-hydrogen_Atom_Count	43
3073200	Exact_Mass	246.05282342
89399042	Covalent_Unit_Count	1
147285	Defined_Bond_Stereo_Count	0
34001	Mono_Isotopic_Weight	341.1393859
16134410	Covalent_Unit_Count	1
9870652	Defined_Atom_Stereo_Count	0
2779183	Non-hydrogen_Atom_Count	11
234818	Total_Formal_Charge	0
124510	TPSA	55.5
45357148	Structure_Complexity	3220
69215	Undefined_Bond_Stereo_Count	0
199855	TPSA	44
31201	Defined_Bond_Stereo_Count	0
20205172	Total_Formal_Charge	0
69677	Non-hydrogen_Atom_Count	9
18530	Non-hydrogen_Atom_Count	7
8660	Structure_Complexity	229
444440	Hydrogen_Bond_Acceptor_Count	9
3035240	Structure_Complexity	409
41990	Undefined_Bond_Stereo_Count	0
23725051	Molecular_Weight	291.8
135546259	Hydrogen_Bond_Donor_Count	7
146158299	Rotatable_Bond_Count	4
5362123	Molecular_Weight	460.9
7348	Non-hydrogen_Atom_Count	19
6875	Non-hydrogen_Atom_Count	18
15018	Undefined_Atom_Stereo_Count	0
46926350	Undefined_Atom_Stereo_Count	0
135459971	Non-hydrogen_Atom_Count	19
84715998	Molecular_Weight	112.13
131676399	Rotatable_Bond_Count	1
53763274	XLogP3-AA	2.4
638380	TPSA	23.8
66261	Structure_Complexity	257
6444037	Undefined_Atom_Stereo_Count	0
62328	Defined_Atom_Stereo_Count	0
17187	Mono_Isotopic_Weight	492.280464
53879576	Mono_Isotopic_Weight	101.084063974
13785328	Rotatable_Bond_Count	7
23581796	XLogP3	2.7
67707	Isotope_Atom_Count	0
12303047	Total_Formal_Charge	0
16324	Molecular_Weight	128.17
83403	Total_Formal_Charge	0
21180574	Tautomer_Count	5
134574427	Molecular_Weight	102.14
135437285	Defined_Atom_Stereo_Count	0
490	Rotatable_Bond_Count	2
129694674	Undefined_Atom_Stereo_Count	0
21282995	XLogP3-AA	0.2
9804743	XLogP3-AA	3
10715582	Total_Formal_Charge	0
24309	Hydrogen_Bond_Donor_Count	1
58055	Total_Formal_Charge	0
89484493	Undefined_Bond_Stereo_Count	0
25271787	XLogP3-AA	0.3
1361	Covalent_Unit_Count	1
9885442	Covalent_Unit_Count	1
154986845	Exact_Mass	112.063662883
6776	Undefined_Bond_Stereo_Count	0
5328791	TPSA	81.3
139078440	Defined_Bond_Stereo_Count	0
14798	Defined_Atom_Stereo_Count	0
441404	Molecular_Weight	412.6
11643846	Structure_Complexity	2330
73162904	Non-hydrogen_Atom_Count	21
16132269	Undefined_Atom_Stereo_Count	0
143291	Total_Formal_Charge	0
636402	Exact_Mass	614.31954243
11341	Tautomer_Count	1
718862	Non-hydrogen_Atom_Count	20
444474	Exact_Mass	239.13822480
15568242	Molecular_Weight	118.20
261000	Hydrogen_Bond_Donor_Count	1
45120389	Tautomer_Count	1
25142176	Undefined_Bond_Stereo_Count	0
27058	Rotatable_Bond_Count	14
497803	Structure_Complexity	572
11116690	Exact_Mass	182.05831813
1849	Non-hydrogen_Atom_Count	31
7303	XLogP3-AA	0.3
9903853	Undefined_Atom_Stereo_Count	0
53803	Covalent_Unit_Count	2
19375004	TPSA	35.3
117045394	Total_Formal_Charge	0
85773920	Undefined_Atom_Stereo_Count	2
30819	Covalent_Unit_Count	1
168	Undefined_Atom_Stereo_Count	10
24512	Hydrogen_Bond_Donor_Count	0
195	Total_Formal_Charge	0
75184787	Total_Formal_Charge	0
315165	Hydrogen_Bond_Donor_Count	1
114812	Total_Formal_Charge	0
59751	Exact_Mass	408.15862589
416	Exact_Mass	368.12196560
119716	XLogP3	3.4
58230405	TPSA	151
2127	Defined_Atom_Stereo_Count	0
65595	Undefined_Bond_Stereo_Count	0
87940821	Non-hydrogen_Atom_Count	8
31629	Undefined_Bond_Stereo_Count	0
79956	Mono_Isotopic_Weight	401.05039832
53313171	Undefined_Bond_Stereo_Count	0
169110	Undefined_Bond_Stereo_Count	0
3393	Undefined_Atom_Stereo_Count	0
638228	Hydrogen_Bond_Donor_Count	0
10403	Structure_Complexity	86.7
5352435	Non-hydrogen_Atom_Count	14
48955	Rotatable_Bond_Count	10
11655511	Structure_Complexity	732
99010	Rotatable_Bond_Count	3
3058839	XLogP3-AA	3
6436158	Structure_Complexity	1360
135761165	TPSA	215
20232381	XLogP3-AA	1
20607223	Non-hydrogen_Atom_Count	8
72137	Isotope_Atom_Count	0
59630	Undefined_Atom_Stereo_Count	2
6096206	Molecular_Weight	830.7
5779	Exact_Mass	150.05282342
10282517	Exact_Mass	615.18616351
5357258	Structure_Complexity	44
36671	Defined_Bond_Stereo_Count	0
12274	Total_Formal_Charge	0
54132691	Mono_Isotopic_Weight	108.093900383
9460	Tautomer_Count	1
10793	Defined_Bond_Stereo_Count	0
22022770	Undefined_Bond_Stereo_Count	0
138440	Rotatable_Bond_Count	2
2895	Undefined_Bond_Stereo_Count	0
17754438	Undefined_Bond_Stereo_Count	0
6669	Exact_Mass	294.12157168
62305	Hydrogen_Bond_Acceptor_Count	9
60196293	Rotatable_Bond_Count	3
135430970	Defined_Bond_Stereo_Count	0
97823	Molecular_Weight	99.13
5951	Molecular_Weight	105.09
20449	Undefined_Bond_Stereo_Count	0
49865495	XLogP3-AA	1.8
5315659	Hydrogen_Bond_Acceptor_Count	2
17672	Undefined_Bond_Stereo_Count	0
22383	Rotatable_Bond_Count	6
2666	Undefined_Bond_Stereo_Count	0
14045178	Covalent_Unit_Count	1
5360970	Hydrogen_Bond_Acceptor_Count	4
19385647	Total_Formal_Charge	0
643789	Undefined_Bond_Stereo_Count	0
51003123	Structure_Complexity	740
135398654	Defined_Atom_Stereo_Count	3
20821286	Hydrogen_Bond_Donor_Count	0
6815	Defined_Bond_Stereo_Count	0
364704	Hydrogen_Bond_Acceptor_Count	6
18999713	Mono_Isotopic_Weight	114.104465066
95295	Defined_Atom_Stereo_Count	0
9085	Hydrogen_Bond_Donor_Count	4
12085802	Defined_Atom_Stereo_Count	5
3083702	Rotatable_Bond_Count	15
11628328	Structure_Complexity	962
16019977	Defined_Atom_Stereo_Count	0
6435415	Total_Formal_Charge	0
6580	Covalent_Unit_Count	1
92321	Total_Formal_Charge	0
20553	XLogP3-AA	0.3
12632903	Defined_Atom_Stereo_Count	0
46174110	Covalent_Unit_Count	2
14030006	Molecular_Weight	933.4
40998	Mono_Isotopic_Weight	409.1422784
11737	Total_Formal_Charge	0
66683200	Rotatable_Bond_Count	1
54584708	Molecular_Weight	430.4
73415790	Exact_Mass	663.10912256
10402	Defined_Bond_Stereo_Count	0
300765	Non-hydrogen_Atom_Count	18
16211115	Rotatable_Bond_Count	1
101744	Non-hydrogen_Atom_Count	22
9009	Defined_Bond_Stereo_Count	0
143588	TPSA	0
123790252	Undefined_Bond_Stereo_Count	0
11247	Covalent_Unit_Count	2
6433266	Structure_Complexity	343
69109362	Mono_Isotopic_Weight	101.047678466
5464097	Hydrogen_Bond_Donor_Count	3
5639	Hydrogen_Bond_Donor_Count	1
139595999	Undefined_Atom_Stereo_Count	3
14940	Total_Formal_Charge	0
12962854	Rotatable_Bond_Count	4
442972	Defined_Atom_Stereo_Count	10
5743568	Tautomer_Count	40
138527	Exact_Mass	278.18819469
15007	Exact_Mass	250.15689456
36576	Defined_Atom_Stereo_Count	0
66377	Mono_Isotopic_Weight	256.10592162
12088	Defined_Atom_Stereo_Count	0
141516912	Hydrogen_Bond_Donor_Count	0
131720661	Mono_Isotopic_Weight	228.06338810
131003005	Non-hydrogen_Atom_Count	8
3527278	Undefined_Atom_Stereo_Count	0
97105	Covalent_Unit_Count	1
9231	Rotatable_Bond_Count	0
90038	Structure_Complexity	167
4432690	Structure_Complexity	962
10975416	Hydrogen_Bond_Acceptor_Count	2
85026	Total_Formal_Charge	1
6918446	Undefined_Bond_Stereo_Count	0
89217	Isotope_Atom_Count	0
11344000	XLogP3-AA	0.7
175915	Exact_Mass	250.07537038
108059	Undefined_Atom_Stereo_Count	0
31276	Isotope_Atom_Count	0
11638	Tautomer_Count	1
74041115	Molecular_Weight	96.17
68675439	Undefined_Atom_Stereo_Count	2
87905888	Hydrogen_Bond_Donor_Count	2
9938326	Isotope_Atom_Count	0
52598	XLogP3-AA	3.7
4911	TPSA	83.1
68511084	Total_Formal_Charge	0
403016	Non-hydrogen_Atom_Count	32
9846078	Defined_Atom_Stereo_Count	1
4248	Total_Formal_Charge	0
9855453	Rotatable_Bond_Count	3
482604	Covalent_Unit_Count	1
136501	Tautomer_Count	1
10325129	Defined_Bond_Stereo_Count	0
154108049	Structure_Complexity	156
129845	Defined_Bond_Stereo_Count	0
99404	Isotope_Atom_Count	0
9811837	Hydrogen_Bond_Acceptor_Count	11
2762894	Non-hydrogen_Atom_Count	8
20497	Hydrogen_Bond_Donor_Count	3
33013	Covalent_Unit_Count	2
39605	Non-hydrogen_Atom_Count	6
808817	Undefined_Bond_Stereo_Count	0
10096344	Isotope_Atom_Count	0
92094	Defined_Bond_Stereo_Count	0
15207340	Undefined_Atom_Stereo_Count	1
12497562	Defined_Bond_Stereo_Count	0
9843941	Tautomer_Count	1
36192	Hydrogen_Bond_Acceptor_Count	2
9964081	Covalent_Unit_Count	1
22645860	Undefined_Atom_Stereo_Count	0
565674	Mono_Isotopic_Weight	180.151415257
912	Tautomer_Count	2
101567485	Non-hydrogen_Atom_Count	27
65844	Isotope_Atom_Count	0
3246941	Structure_Complexity	354
68078	Isotope_Atom_Count	0
135473834	Hydrogen_Bond_Acceptor_Count	10
92810	Rotatable_Bond_Count	1
9917	Undefined_Atom_Stereo_Count	0
782	Undefined_Atom_Stereo_Count	1
3865578	Rotatable_Bond_Count	2
77314383	TPSA	9.2
25195496	Total_Formal_Charge	0
48920	Mono_Isotopic_Weight	283.157228913
524766	Mono_Isotopic_Weight	95.073499291
11600	Structure_Complexity	48.4
5249538	Exact_Mass	138.091889006
5591	Hydrogen_Bond_Donor_Count	2
56626310	Isotope_Atom_Count	0
443831	Exact_Mass	513.16349606
17754007	Mono_Isotopic_Weight	200.04962974
117968974	Undefined_Bond_Stereo_Count	0
19621	Tautomer_Count	2
96135	Tautomer_Count	12
3086401	Defined_Atom_Stereo_Count	3
25137678	TPSA	18.5
587	Mono_Isotopic_Weight	211.03580743
67112	Non-hydrogen_Atom_Count	15
11508058	Hydrogen_Bond_Donor_Count	0
102552746	Molecular_Weight	416.6
4144353	Undefined_Atom_Stereo_Count	0
71462389	Total_Formal_Charge	0
135409438	Mono_Isotopic_Weight	289.05760550
247771	Exact_Mass	99.104799419
28429	Total_Formal_Charge	0
22932	XLogP3	7.4
19108211	Hydrogen_Bond_Donor_Count	1
9375	Exact_Mass	206.141913202
23664361	Hydrogen_Bond_Donor_Count	3
9970626	Molecular_Weight	275.3
15940185	TPSA	199
51346964	Covalent_Unit_Count	1
176171	Undefined_Atom_Stereo_Count	2
6350580	Hydrogen_Bond_Acceptor_Count	3
11503692	Undefined_Bond_Stereo_Count	0
16	Isotope_Atom_Count	0
117781134	Molecular_Weight	196.29
12713	Undefined_Atom_Stereo_Count	1
24214097	Hydrogen_Bond_Acceptor_Count	4
941650	Structure_Complexity	711
13685820	Total_Formal_Charge	0
321	Defined_Bond_Stereo_Count	0
3769881	Rotatable_Bond_Count	3
71264	Hydrogen_Bond_Donor_Count	1
6437841	Molecular_Weight	326.4
24808640	Exact_Mass	94.041864811
71720675	Rotatable_Bond_Count	4
17017	Rotatable_Bond_Count	3
22349965	Mono_Isotopic_Weight	100.027277375
66540	Exact_Mass	334.21440943
11196237	Mono_Isotopic_Weight	260.08960285
5779	Hydrogen_Bond_Acceptor_Count	5
558502	Non-hydrogen_Atom_Count	8
979919	Hydrogen_Bond_Donor_Count	2
2778	Undefined_Bond_Stereo_Count	0
23083539	Defined_Atom_Stereo_Count	0
22137869	Isotope_Atom_Count	0
90725416	Exact_Mass	904.44565070
70543261	Defined_Bond_Stereo_Count	0
46485	Rotatable_Bond_Count	9
49132	Rotatable_Bond_Count	5
702015	Defined_Atom_Stereo_Count	0
26644345	Covalent_Unit_Count	1
6206	Molecular_Weight	197.15
6361	Hydrogen_Bond_Acceptor_Count	0
17925	Structure_Complexity	413
75947	Isotope_Atom_Count	0
143196	Rotatable_Bond_Count	0
16211214	Hydrogen_Bond_Acceptor_Count	17
21673601	Defined_Atom_Stereo_Count	0
3686	Undefined_Bond_Stereo_Count	0
148546849	Defined_Bond_Stereo_Count	0
9844194	Isotope_Atom_Count	0
10038849	TPSA	23.5
59907918	Molecular_Weight	342.30
91895934	Hydrogen_Bond_Acceptor_Count	9
1584822	Molecular_Weight	319.4
119307	Exact_Mass	622.44446893
131664136	Defined_Atom_Stereo_Count	0
11358077	Total_Formal_Charge	0
21661222	Molecular_Weight	117.10
219105	XLogP3	1.4
68535	Undefined_Bond_Stereo_Count	0
102592515	Hydrogen_Bond_Acceptor_Count	2
6145	XLogP3	0.8
65432	Defined_Bond_Stereo_Count	0
88670	Non-hydrogen_Atom_Count	13
4103	Hydrogen_Bond_Acceptor_Count	7
29805	Total_Formal_Charge	0
14010989	Rotatable_Bond_Count	10
16547	Mono_Isotopic_Weight	210.05282342
9547215	Defined_Atom_Stereo_Count	8
450503	Covalent_Unit_Count	1
2032	Mono_Isotopic_Weight	334.262028332
11789162	Non-hydrogen_Atom_Count	8
6918186	Structure_Complexity	522
34005	Total_Formal_Charge	0
162817	XLogP3-AA	3
101743775	Hydrogen_Bond_Donor_Count	2
23649427	Isotope_Atom_Count	0
720213	Rotatable_Bond_Count	6
19787449	Structure_Complexity	115
14028213	Structure_Complexity	141
28048	TPSA	18.5
15178985	Covalent_Unit_Count	1
96865	TPSA	29.1
25181577	Covalent_Unit_Count	1
102242605	Undefined_Atom_Stereo_Count	0
15982151	Mono_Isotopic_Weight	467.21686904
89164217	Hydrogen_Bond_Acceptor_Count	2
73698	Mono_Isotopic_Weight	236.083729621
91365800	Covalent_Unit_Count	1
11243457	Defined_Bond_Stereo_Count	0
16274	Defined_Atom_Stereo_Count	0
4913256	Non-hydrogen_Atom_Count	7
565610	Rotatable_Bond_Count	15
2724290	Defined_Bond_Stereo_Count	0
65037	Hydrogen_Bond_Donor_Count	1
8714	Hydrogen_Bond_Donor_Count	6
21187532	Non-hydrogen_Atom_Count	8
31811	Non-hydrogen_Atom_Count	16
20992	Covalent_Unit_Count	1
3389	Defined_Atom_Stereo_Count	0
460621	Defined_Atom_Stereo_Count	8
11232	Isotope_Atom_Count	0
1530	TPSA	56.7
3022	TPSA	87.7
4186	Rotatable_Bond_Count	6
93205	Molecular_Weight	385.4
5122	Total_Formal_Charge	0
3459	Molecular_Weight	400.6
46164	Isotope_Atom_Count	0
11957547	Defined_Bond_Stereo_Count	0
76319	TPSA	26
9322	Exact_Mass	57.97514518
10329304	Hydrogen_Bond_Acceptor_Count	2
22137184	Total_Formal_Charge	0
5433	Undefined_Atom_Stereo_Count	2
25138203	Molecular_Weight	354.4
198135	Undefined_Bond_Stereo_Count	0
219990	Total_Formal_Charge	0
129319344	XLogP3-AA	12.1
81767	Defined_Atom_Stereo_Count	0
21312677	Defined_Bond_Stereo_Count	0
591	Mono_Isotopic_Weight	893.20709926
9653	TPSA	48.5
444742	Mono_Isotopic_Weight	1379.2204766
9886249	Total_Formal_Charge	0
1548968	Hydrogen_Bond_Donor_Count	1
23896	Tautomer_Count	1
66374	Hydrogen_Bond_Donor_Count	0
153067665	Non-hydrogen_Atom_Count	8
30220	Non-hydrogen_Atom_Count	9
114644	Isotope_Atom_Count	0
16211656	Mono_Isotopic_Weight	235.9804853
10754	Non-hydrogen_Atom_Count	16
89859387	Defined_Bond_Stereo_Count	0
73172	Exact_Mass	105.032697108
60196296	Defined_Atom_Stereo_Count	0
30020	Isotope_Atom_Count	0
18171	Isotope_Atom_Count	0
55288974	Defined_Atom_Stereo_Count	0
115227	Rotatable_Bond_Count	1
46907953	Undefined_Atom_Stereo_Count	0
5271566	Defined_Atom_Stereo_Count	0
59772	Undefined_Atom_Stereo_Count	0
16051495	Defined_Bond_Stereo_Count	0
77013	Undefined_Bond_Stereo_Count	0
11282394	Hydrogen_Bond_Acceptor_Count	11
306211	Non-hydrogen_Atom_Count	20
19938019	Undefined_Atom_Stereo_Count	0
22138511	Tautomer_Count	1
16413917	Molecular_Weight	713.1
69672	Isotope_Atom_Count	0
13212923	Exact_Mass	99.104799419
139078440	Total_Formal_Charge	0
72221005	Exact_Mass	95.048347172
88336	Rotatable_Bond_Count	0
22082547	Structure_Complexity	77.7
68321730	Hydrogen_Bond_Acceptor_Count	4
129815925	Hydrogen_Bond_Acceptor_Count	2
155346	Isotope_Atom_Count	0
3750	Defined_Bond_Stereo_Count	0
95438	Rotatable_Bond_Count	3
23672325	Covalent_Unit_Count	2
40467053	Rotatable_Bond_Count	2
158525	Defined_Atom_Stereo_Count	0
18506396	Undefined_Atom_Stereo_Count	3
4441	Covalent_Unit_Count	1
22424	Non-hydrogen_Atom_Count	29
50856	Exact_Mass	216.1029409
105427022	Undefined_Atom_Stereo_Count	0
731207	Structure_Complexity	376
494123	Hydrogen_Bond_Acceptor_Count	1
98053103	XLogP3-AA	2.8
12375	Covalent_Unit_Count	1
58883	Undefined_Bond_Stereo_Count	0
9994296	Undefined_Bond_Stereo_Count	0
6545	Defined_Atom_Stereo_Count	0
98047376	Hydrogen_Bond_Donor_Count	1
14992	Rotatable_Bond_Count	3
23667627	Total_Formal_Charge	0
11126188	Isotope_Atom_Count	0
9048	Hydrogen_Bond_Donor_Count	3
44430376	Exact_Mass	273.04373590
15081	Rotatable_Bond_Count	0
10197675	Non-hydrogen_Atom_Count	8
632332	Exact_Mass	361.1345753
20650455	Non-hydrogen_Atom_Count	6
70986	Mono_Isotopic_Weight	228.01498
24827	Non-hydrogen_Atom_Count	9
86764	Hydrogen_Bond_Acceptor_Count	4
3014138	Mono_Isotopic_Weight	123.068413911
35803	Defined_Atom_Stereo_Count	0
72200166	Mono_Isotopic_Weight	621.32523719
67301	Isotope_Atom_Count	0
11947765	Covalent_Unit_Count	1
44310763	Defined_Bond_Stereo_Count	0
73102147	Rotatable_Bond_Count	2
487	Defined_Atom_Stereo_Count	0
71019	Isotope_Atom_Count	0
17516	Defined_Atom_Stereo_Count	0
446916	XLogP3-AA	2.9
5301	Rotatable_Bond_Count	4
45437	Non-hydrogen_Atom_Count	17
12305763	Exact_Mass	418.12638228
441364	Exact_Mass	503.2802365
3083714	Structure_Complexity	2010
62779	Undefined_Atom_Stereo_Count	0
5271565	Exact_Mass	144.04225873
444025	Structure_Complexity	882
2174	Covalent_Unit_Count	1
5360232	Hydrogen_Bond_Donor_Count	1
102089288	Total_Formal_Charge	0
68135832	Covalent_Unit_Count	1
40772	Defined_Atom_Stereo_Count	0
89578867	Exact_Mass	310.204513457
24458	Rotatable_Bond_Count	0
3659	Undefined_Atom_Stereo_Count	16
81981	Structure_Complexity	227
5595	TPSA	45.3
29215	Structure_Complexity	316
7793	Isotope_Atom_Count	0
53394675	Isotope_Atom_Count	0
142044455	Undefined_Bond_Stereo_Count	0
54520	Exact_Mass	306.19434270
58985	Isotope_Atom_Count	0
20325315	XLogP3-AA	0.8
15633846	Covalent_Unit_Count	1
10442	Undefined_Bond_Stereo_Count	0
19606581	Mono_Isotopic_Weight	208.07355886
43471	Rotatable_Bond_Count	1
6015	Non-hydrogen_Atom_Count	27
84003	Tautomer_Count	4
23663979	Molecular_Weight	371.4
24595	Tautomer_Count	1
18521191	Molecular_Weight	97.16
524643	Non-hydrogen_Atom_Count	7
93480	Isotope_Atom_Count	0
68557	Rotatable_Bond_Count	10
133662562	Non-hydrogen_Atom_Count	12
89374433	Structure_Complexity	118
14842863	Mono_Isotopic_Weight	351.15426879
12548640	Isotope_Atom_Count	0
227541	Total_Formal_Charge	0
6058	Rotatable_Bond_Count	1
136378	Mono_Isotopic_Weight	68.062600255
24410	Undefined_Bond_Stereo_Count	0
183559	Undefined_Atom_Stereo_Count	0
10654193	Hydrogen_Bond_Acceptor_Count	2
49784002	Hydrogen_Bond_Acceptor_Count	5
7568	Molecular_Weight	260.20
71296943	Mono_Isotopic_Weight	391.23587315
5280346	Undefined_Atom_Stereo_Count	0
57159129	Total_Formal_Charge	0
5288706	Exact_Mass	485.27536898
28204	Structure_Complexity	578
32742	Molecular_Weight	114.14
185588	XLogP3	3.1
153903	XLogP3-AA	1.1
22386229	Defined_Bond_Stereo_Count	0
87329230	Rotatable_Bond_Count	2
5497171	TPSA	151
65996	Mono_Isotopic_Weight	330.267113712
87322	Hydrogen_Bond_Acceptor_Count	6
1203	Defined_Atom_Stereo_Count	0
83003418	Undefined_Atom_Stereo_Count	0
4953	Isotope_Atom_Count	0
12316	Rotatable_Bond_Count	2
3882	Molecular_Weight	440.7
11062802	Molecular_Weight	168.28
5355751	Isotope_Atom_Count	0
21924868	Undefined_Atom_Stereo_Count	7
479503	Non-hydrogen_Atom_Count	21
9895194	Isotope_Atom_Count	0
84720	Total_Formal_Charge	0
6574	Exact_Mass	131.930033
4727	Defined_Bond_Stereo_Count	0
220001	Covalent_Unit_Count	1
4952	Molecular_Weight	336.5
56672297	Defined_Atom_Stereo_Count	0
69982	Defined_Atom_Stereo_Count	0
67112	Hydrogen_Bond_Donor_Count	1
4674	Structure_Complexity	243
86063	Exact_Mass	183.06439116
135564847	Rotatable_Bond_Count	24
3833001	Structure_Complexity	240
6860	Hydrogen_Bond_Acceptor_Count	0
5460183	Mono_Isotopic_Weight	1328.564325
59792626	Undefined_Bond_Stereo_Count	0
15077409	Defined_Bond_Stereo_Count	0
16322	Defined_Atom_Stereo_Count	0
5288700	Mono_Isotopic_Weight	258.01406892
22625312	Rotatable_Bond_Count	0
9699	Defined_Atom_Stereo_Count	0
5362440	Defined_Bond_Stereo_Count	0
15273920	Isotope_Atom_Count	0
819109	Undefined_Bond_Stereo_Count	0
104806	Hydrogen_Bond_Acceptor_Count	4
87532690	Structure_Complexity	83.4
12561970	Total_Formal_Charge	0
21696199	Undefined_Bond_Stereo_Count	0
65938	TPSA	229
36218	Total_Formal_Charge	0
20253	Defined_Bond_Stereo_Count	0
67636	Undefined_Atom_Stereo_Count	0
96147	Hydrogen_Bond_Acceptor_Count	6
4932	Defined_Bond_Stereo_Count	0
6359	Hydrogen_Bond_Donor_Count	0
2656	Non-hydrogen_Atom_Count	36
12313849	TPSA	57.2
817150	Undefined_Atom_Stereo_Count	0
72187569	Covalent_Unit_Count	1
20980871	Tautomer_Count	1
13693091	Structure_Complexity	107
4903	Undefined_Bond_Stereo_Count	0
28003	Undefined_Bond_Stereo_Count	0
21579142	Covalent_Unit_Count	1
71253	Defined_Bond_Stereo_Count	0
71560537	Non-hydrogen_Atom_Count	18
13809010	Rotatable_Bond_Count	1
86042	Undefined_Atom_Stereo_Count	1
43961	Total_Formal_Charge	0
63119	Total_Formal_Charge	0
310360	TPSA	110
94355	Isotope_Atom_Count	0
9576647	Covalent_Unit_Count	1
37983	Total_Formal_Charge	0
123400613	TPSA	9.2
14764322	Defined_Bond_Stereo_Count	0
66321	Molecular_Weight	133.9
121271792	Molecular_Weight	386.4
123891134	Rotatable_Bond_Count	1
95343	Isotope_Atom_Count	0
5077	Non-hydrogen_Atom_Count	18
15148131	Covalent_Unit_Count	1
71684354	Exact_Mass	298.12050905
4217966	Undefined_Atom_Stereo_Count	1
4557	Rotatable_Bond_Count	9
11587584	Hydrogen_Bond_Donor_Count	1
39421	Structure_Complexity	569
58691	Defined_Bond_Stereo_Count	0
28397	Structure_Complexity	311
30131	Total_Formal_Charge	0
146646427	Non-hydrogen_Atom_Count	8
44455083	XLogP3-AA	2.4
33874	Defined_Bond_Stereo_Count	0
127394	Defined_Atom_Stereo_Count	0
91726	Molecular_Weight	232.23
7610	Mono_Isotopic_Weight	137.084063974
68343	Mono_Isotopic_Weight	200.0174972
9935073	Exact_Mass	484.1419441
89976630	Molecular_Weight	107.11
593369	Molecular_Weight	305.4
23447037	TPSA	145
134393564	Rotatable_Bond_Count	2
120095	Hydrogen_Bond_Acceptor_Count	1
85518914	Exact_Mass	112.052429494
72388	TPSA	40.5
6496	Hydrogen_Bond_Donor_Count	0
73241	Defined_Bond_Stereo_Count	0
16324	Total_Formal_Charge	0
95431	Covalent_Unit_Count	1
118459248	Molecular_Weight	342.30
94011387	Structure_Complexity	382
35898	Hydrogen_Bond_Acceptor_Count	3
9969177	TPSA	106
6700	Structure_Complexity	783
9265	TPSA	0
15951509	Total_Formal_Charge	0
400769	Exact_Mass	505.31920885
87985965	Non-hydrogen_Atom_Count	8
77572	Exact_Mass	104.029356028
286157	Total_Formal_Charge	0
5270576	Undefined_Bond_Stereo_Count	0
5287703	Covalent_Unit_Count	1
22645860	Isotope_Atom_Count	0
25015677	Undefined_Atom_Stereo_Count	0
64646	Covalent_Unit_Count	5
12609613	TPSA	20.2
1549103	Undefined_Bond_Stereo_Count	0
53993480	Covalent_Unit_Count	1
74695	Rotatable_Bond_Count	0
101610369	Total_Formal_Charge	0
93502	Rotatable_Bond_Count	4
23160059	Structure_Complexity	327
10071747	XLogP3-AA	3
2280	TPSA	178
29138	Structure_Complexity	409
62546	Defined_Bond_Stereo_Count	0
46937142	Tautomer_Count	1
58642	TPSA	84.9
444346	Undefined_Bond_Stereo_Count	0
28281	Tautomer_Count	5
196445	Undefined_Atom_Stereo_Count	0
11716665	Hydrogen_Bond_Donor_Count	1
2649	Hydrogen_Bond_Donor_Count	4
15122661	Isotope_Atom_Count	0
207363	Tautomer_Count	1
202225	Molecular_Weight	814.0
274427	Structure_Complexity	105
3180466	Exact_Mass	468.21614077
13017912	Isotope_Atom_Count	0
123611214	Isotope_Atom_Count	0
10658	Non-hydrogen_Atom_Count	14
713762	Undefined_Atom_Stereo_Count	0
102551	Non-hydrogen_Atom_Count	11
86422	Hydrogen_Bond_Donor_Count	1
123208701	Defined_Atom_Stereo_Count	0
92761	TPSA	51.2
145515817	Undefined_Bond_Stereo_Count	0
55300514	Covalent_Unit_Count	1
243	Hydrogen_Bond_Acceptor_Count	2
20342	Isotope_Atom_Count	0
66855878	Undefined_Atom_Stereo_Count	1
15778	Non-hydrogen_Atom_Count	8
656641	Molecular_Weight	582.8
23691029	Non-hydrogen_Atom_Count	16
177	Exact_Mass	44.026214747
26428	Isotope_Atom_Count	0
97724	Non-hydrogen_Atom_Count	11
76956848	Exact_Mass	249.1284273
12576851	Mono_Isotopic_Weight	112.074896272
12375523	XLogP3-AA	0.3
55285230	Non-hydrogen_Atom_Count	8
825	Molecular_Weight	131.13
13256	Hydrogen_Bond_Donor_Count	0
642623	Covalent_Unit_Count	1
16106473	Isotope_Atom_Count	0
74825	TPSA	18.5
54126052	Structure_Complexity	65.1
96395	Total_Formal_Charge	0
135398733	Defined_Atom_Stereo_Count	0
9874875	XLogP3-AA	8.1
17865372	TPSA	77.6
14300	Defined_Bond_Stereo_Count	0
636345	Mono_Isotopic_Weight	880.1479789
71112644	Covalent_Unit_Count	1
12302651	Total_Formal_Charge	0
10430619	XLogP3	1.9
15266968	Defined_Atom_Stereo_Count	0
15055958	Hydrogen_Bond_Acceptor_Count	2
14970970	Isotope_Atom_Count	0
535813	Covalent_Unit_Count	1
12561969	XLogP3-AA	1.4
79016	Undefined_Atom_Stereo_Count	1
88554936	Exact_Mass	112.088815002
5483631	Undefined_Atom_Stereo_Count	0
3000667	Mono_Isotopic_Weight	319.14197277
657237	Non-hydrogen_Atom_Count	20
86585	Undefined_Bond_Stereo_Count	1
24083	Defined_Bond_Stereo_Count	0
666673	Structure_Complexity	729
58247512	XLogP3-AA	1.3
10251906	Mono_Isotopic_Weight	427.06444
3296738	Undefined_Bond_Stereo_Count	0
71935	Mono_Isotopic_Weight	291.162314293
12779729	Undefined_Bond_Stereo_Count	0
22563	Undefined_Bond_Stereo_Count	0
714	Undefined_Atom_Stereo_Count	5
78220	Non-hydrogen_Atom_Count	12
134688015	Defined_Atom_Stereo_Count	0
5284580	Undefined_Atom_Stereo_Count	1
71458869	Defined_Atom_Stereo_Count	0
260716	Hydrogen_Bond_Acceptor_Count	0
65726	Covalent_Unit_Count	1
3884	Isotope_Atom_Count	0
25008765	Undefined_Atom_Stereo_Count	0
63079	Undefined_Atom_Stereo_Count	0
2203	Defined_Atom_Stereo_Count	0
443732	Mono_Isotopic_Weight	71.073499291
97886	Structure_Complexity	238
123804812	Hydrogen_Bond_Donor_Count	0
98097	Mono_Isotopic_Weight	226.099379685
20670051	Hydrogen_Bond_Donor_Count	2
91362186	Undefined_Bond_Stereo_Count	0
556485	Mono_Isotopic_Weight	112.088815002
71583603	Molecular_Weight	397.5
92139	Hydrogen_Bond_Donor_Count	0
501254	XLogP3	0.7
572717	Hydrogen_Bond_Acceptor_Count	0
23663539	Exact_Mass	287.825997
23642275	Rotatable_Bond_Count	2
20146588	Undefined_Atom_Stereo_Count	0
11826859	Covalent_Unit_Count	1
41264	Isotope_Atom_Count	0
54230	Covalent_Unit_Count	1
3249988	Covalent_Unit_Count	1
98051220	Isotope_Atom_Count	0
23681107	Rotatable_Bond_Count	5
102201652	Non-hydrogen_Atom_Count	34
45267632	Covalent_Unit_Count	1
81531	Hydrogen_Bond_Acceptor_Count	1
1103	Exact_Mass	202.21574685
8764	TPSA	35.2
99646540	Undefined_Atom_Stereo_Count	0
40537360	Total_Formal_Charge	0
11040	Mono_Isotopic_Weight	104.047344113
27689	Isotope_Atom_Count	0
470375	Mono_Isotopic_Weight	428.00886708
219608	Undefined_Bond_Stereo_Count	0
853561	Hydrogen_Bond_Donor_Count	0
73441	Covalent_Unit_Count	1
5484444	Defined_Bond_Stereo_Count	0
123969077	Structure_Complexity	90.6
83064	TPSA	114
7355	XLogP3-AA	1.9
3322	Hydrogen_Bond_Donor_Count	1
129830140	Total_Formal_Charge	0
5442	Undefined_Bond_Stereo_Count	0
5366149	Undefined_Bond_Stereo_Count	0
55004	Structure_Complexity	63.3
67518639	Defined_Bond_Stereo_Count	0
53631822	XLogP3-AA	0.3
60867	XLogP3-AA	2.3
29215	XLogP3-AA	2.9
9727	Rotatable_Bond_Count	3
57029485	Covalent_Unit_Count	1
91820610	Hydrogen_Bond_Acceptor_Count	3
48	Molecular_Weight	145.11
12333	Defined_Atom_Stereo_Count	0
21823262	Covalent_Unit_Count	1
638026	Covalent_Unit_Count	1
125702	XLogP3-AA	2.3
138113391	Defined_Atom_Stereo_Count	7
11598	Defined_Atom_Stereo_Count	0
9378	Mono_Isotopic_Weight	182.05790880
15567528	Undefined_Bond_Stereo_Count	0
44123754	Hydrogen_Bond_Donor_Count	2
23725095	Undefined_Atom_Stereo_Count	0
67296	Undefined_Atom_Stereo_Count	0
14214	Undefined_Atom_Stereo_Count	0
515	Covalent_Unit_Count	1
240586	Covalent_Unit_Count	1
9889867	Mono_Isotopic_Weight	448.21105539
5367417	Undefined_Atom_Stereo_Count	0
90753032	Isotope_Atom_Count	0
16668	Exact_Mass	158.073164938
10214	Tautomer_Count	3
59339316	Hydrogen_Bond_Acceptor_Count	2
2734248	Isotope_Atom_Count	0
85624637	Defined_Bond_Stereo_Count	0
76225552	Total_Formal_Charge	0
5459765	Isotope_Atom_Count	0
905	Covalent_Unit_Count	1
146468	Mono_Isotopic_Weight	182.084398327
6734	TPSA	0
5266	Rotatable_Bond_Count	11
122850	Undefined_Atom_Stereo_Count	0
29681	Undefined_Bond_Stereo_Count	0
24752885	Molecular_Weight	270.36
7701	Mono_Isotopic_Weight	261.245649993
115140	Covalent_Unit_Count	2
15325996	Covalent_Unit_Count	1
123678021	Total_Formal_Charge	0
592645	Covalent_Unit_Count	1
4906	Hydrogen_Bond_Donor_Count	2
40470	Defined_Atom_Stereo_Count	0
643544	Structure_Complexity	80.2
221881	Isotope_Atom_Count	0
141096113	Undefined_Atom_Stereo_Count	2
528612	Non-hydrogen_Atom_Count	8
62098	Rotatable_Bond_Count	3
14532111	Non-hydrogen_Atom_Count	7
71433133	Defined_Bond_Stereo_Count	0
10462	Hydrogen_Bond_Donor_Count	2
136411580	Hydrogen_Bond_Donor_Count	5
39953	Rotatable_Bond_Count	3
57391320	TPSA	78.2
53364498	Molecular_Weight	519.6
705485	XLogP3-AA	4
693315	Rotatable_Bond_Count	5
2082	Structure_Complexity	291
146487258	Structure_Complexity	92.5
8501	Undefined_Atom_Stereo_Count	0
59772685	Molecular_Weight	432.4
1234	Molecular_Weight	484.6
65115	Molecular_Weight	301.25
13733	Hydrogen_Bond_Donor_Count	1
56037	Rotatable_Bond_Count	10
60285	Exact_Mass	310.18925731
57586998	TPSA	48.9
101574147	Mono_Isotopic_Weight	813.32364278
21519587	Structure_Complexity	99
90818	Tautomer_Count	1
25191018	Molecular_Weight	436.5
24802149	Mono_Isotopic_Weight	180.06338810
12664700	Undefined_Atom_Stereo_Count	1
2771919	Defined_Atom_Stereo_Count	0
12885790	Structure_Complexity	101
47897	Total_Formal_Charge	0
67060	Hydrogen_Bond_Acceptor_Count	5
529315	TPSA	9.2
71450704	Exact_Mass	486.16853912
19810797	Molecular_Weight	116.16
22238533	Hydrogen_Bond_Donor_Count	1
74236	Mono_Isotopic_Weight	321.20311
116225458	Covalent_Unit_Count	1
118529	Isotope_Atom_Count	0
28183	Structure_Complexity	340
9804991	Hydrogen_Bond_Acceptor_Count	6
118208260	Exact_Mass	109.016378338
12268623	Mono_Isotopic_Weight	106.053098200
4577573	Hydrogen_Bond_Acceptor_Count	5
39356	Isotope_Atom_Count	0
34864	Isotope_Atom_Count	0
83123	Non-hydrogen_Atom_Count	14
161500	Hydrogen_Bond_Acceptor_Count	9
16760063	XLogP3-AA	5.9
38881	Total_Formal_Charge	0
23332	Hydrogen_Bond_Acceptor_Count	5
60149	Mono_Isotopic_Weight	440.1779173
984396	Structure_Complexity	598
71459117	Defined_Atom_Stereo_Count	0
271792	Covalent_Unit_Count	1
9578243	Total_Formal_Charge	0
44445387	TPSA	79
4812	Undefined_Bond_Stereo_Count	1
83270	Exact_Mass	191.094628657
70687387	XLogP3-AA	3.3
5909	Exact_Mass	244.0978555
13379	Total_Formal_Charge	0
165675	Covalent_Unit_Count	1
90451	Molecular_Weight	115.13
3054609	TPSA	159
549253	Isotope_Atom_Count	0
317681	Defined_Bond_Stereo_Count	0
30318	Defined_Atom_Stereo_Count	0
707	Non-hydrogen_Atom_Count	41
15939272	Total_Formal_Charge	0
51921896	Exact_Mass	342.11621151
46216142	Rotatable_Bond_Count	3
57928403	Molecular_Weight	326.4
26690	Defined_Bond_Stereo_Count	0
91071011	Non-hydrogen_Atom_Count	29
91599597	Undefined_Bond_Stereo_Count	0
2724159	Mono_Isotopic_Weight	150.104465066
9863672	Rotatable_Bond_Count	2
122174042	Non-hydrogen_Atom_Count	58
27648	Tautomer_Count	1
45238	Undefined_Bond_Stereo_Count	0
96517	Structure_Complexity	436
93843	Covalent_Unit_Count	1
2224	Mono_Isotopic_Weight	356.23270009
22168583	Total_Formal_Charge	0
62779	Isotope_Atom_Count	0
130443288	Mono_Isotopic_Weight	1201.84136802
10264356	Total_Formal_Charge	0
23663954	Hydrogen_Bond_Donor_Count	0
12711096	Exact_Mass	110.084398327
9094	Molecular_Weight	158.26
72487	Exact_Mass	177.090211983
18696583	Tautomer_Count	1
20388	Mono_Isotopic_Weight	531.85339
48870	TPSA	73.1
659840	TPSA	23.5
12358803	Hydrogen_Bond_Acceptor_Count	2
44458766	TPSA	157
2733335	TPSA	152
11527	Hydrogen_Bond_Donor_Count	1
12097423	Molecular_Weight	110.11
23723057	Undefined_Bond_Stereo_Count	0
10975462	Mono_Isotopic_Weight	116.047344113
2697	Non-hydrogen_Atom_Count	37
65093	Exact_Mass	220.01289061
2529	Undefined_Atom_Stereo_Count	2
7663	Hydrogen_Bond_Acceptor_Count	2
618566	Molecular_Weight	430.2
14968895	Hydrogen_Bond_Acceptor_Count	1
70684819	Defined_Atom_Stereo_Count	0
3042	Undefined_Atom_Stereo_Count	0
68890784	Isotope_Atom_Count	0
25213	Defined_Atom_Stereo_Count	0
23151396	Rotatable_Bond_Count	0
521440	Total_Formal_Charge	0
7841	Undefined_Bond_Stereo_Count	0
54608508	Defined_Bond_Stereo_Count	2
14454	Mono_Isotopic_Weight	102.104465066
3086428	Undefined_Atom_Stereo_Count	1
49837968	Rotatable_Bond_Count	3
236666	Rotatable_Bond_Count	0
57395267	Undefined_Bond_Stereo_Count	0
23688359	Total_Formal_Charge	0
12741	Isotope_Atom_Count	0
70333	Hydrogen_Bond_Donor_Count	0
24183437	Hydrogen_Bond_Donor_Count	4
38883	Exact_Mass	116.083729621
6538	Molecular_Weight	430.9
71778	Covalent_Unit_Count	1
61278	Covalent_Unit_Count	1
27195	Rotatable_Bond_Count	2
57406720	TPSA	71.6
85538	Rotatable_Bond_Count	5
5956	Structure_Complexity	1920
391	TPSA	113
68057	Covalent_Unit_Count	1
129694674	Molecular_Weight	166.2
12510709	Rotatable_Bond_Count	4
70390	TPSA	41.1
80518	Undefined_Atom_Stereo_Count	0
87964902	Isotope_Atom_Count	0
11115995	TPSA	43.4
154518370	Undefined_Atom_Stereo_Count	0
3001376	Rotatable_Bond_Count	13
80510	Undefined_Bond_Stereo_Count	0
158550	Mono_Isotopic_Weight	802.35712773
557796	Rotatable_Bond_Count	0
6950337	Defined_Bond_Stereo_Count	0
10061651	Hydrogen_Bond_Acceptor_Count	2
460129	Mono_Isotopic_Weight	173.04365571
16950	Non-hydrogen_Atom_Count	20
6604910	Hydrogen_Bond_Acceptor_Count	3
18614	Total_Formal_Charge	0
448133	Rotatable_Bond_Count	19
53689385	Hydrogen_Bond_Donor_Count	0
15446403	Hydrogen_Bond_Acceptor_Count	1
130027214	Molecular_Weight	109.13
14783	Hydrogen_Bond_Acceptor_Count	1
97234	Mono_Isotopic_Weight	163.038176411
66192	Defined_Atom_Stereo_Count	0
4573	Non-hydrogen_Atom_Count	14
3047798	Covalent_Unit_Count	1
463365	Exact_Mass	522.28824308
3047795	Structure_Complexity	234
66764350	Rotatable_Bond_Count	0
4875	Hydrogen_Bond_Acceptor_Count	1
229126	Covalent_Unit_Count	1
16212436	Mono_Isotopic_Weight	566.04954
57448758	Isotope_Atom_Count	0
18759	Rotatable_Bond_Count	0
566	TPSA	37.3
3579812	Structure_Complexity	1140
5877292	TPSA	26.3
131747	Undefined_Atom_Stereo_Count	0
77455	Molecular_Weight	323.4
12207545	Undefined_Atom_Stereo_Count	0
70685495	Total_Formal_Charge	0
69578	Rotatable_Bond_Count	0
6837	Isotope_Atom_Count	0
289149	Undefined_Bond_Stereo_Count	0
57568	Exact_Mass	211.157228913
54687772	Undefined_Bond_Stereo_Count	0
11440492	Structure_Complexity	441
253878	Non-hydrogen_Atom_Count	7
13029	Mono_Isotopic_Weight	170.0318546
12933341	Covalent_Unit_Count	1
13023558	XLogP3-AA	0.6
84658	TPSA	28.7
84815	Rotatable_Bond_Count	4
101603711	Rotatable_Bond_Count	10
14866914	Hydrogen_Bond_Acceptor_Count	3
92840	Mono_Isotopic_Weight	164.083729621
20607721	Hydrogen_Bond_Acceptor_Count	0
88261	Defined_Bond_Stereo_Count	0
6059187	Isotope_Atom_Count	0
124246	Total_Formal_Charge	0
15715748	XLogP3-AA	2
1491	Isotope_Atom_Count	0
13316167	Undefined_Bond_Stereo_Count	0
565903	Undefined_Bond_Stereo_Count	0
97725	TPSA	83.6
24465	Mono_Isotopic_Weight	247.930592
11227182	Molecular_Weight	597.7
24229456	Total_Formal_Charge	0
71429293	Hydrogen_Bond_Donor_Count	1
65728	Defined_Bond_Stereo_Count	0
4889	Defined_Atom_Stereo_Count	0
12231381	Defined_Atom_Stereo_Count	0
98888	Covalent_Unit_Count	1
88631	TPSA	37.3
2724248	Molecular_Weight	260.29
14379827	Isotope_Atom_Count	0
145520	Total_Formal_Charge	0
5282452	Hydrogen_Bond_Donor_Count	3
7170	Rotatable_Bond_Count	5
92775	Structure_Complexity	371
10486803	Defined_Bond_Stereo_Count	0
80084	Undefined_Bond_Stereo_Count	0
93884	Structure_Complexity	270
84336	Covalent_Unit_Count	1
78422631	Non-hydrogen_Atom_Count	14
48188	Total_Formal_Charge	0
68405	Covalent_Unit_Count	3
533854	Undefined_Bond_Stereo_Count	0
15983988	Non-hydrogen_Atom_Count	26
86751	Exact_Mass	158.167065321
5184540	Structure_Complexity	114
20662	Hydrogen_Bond_Acceptor_Count	2
1018	Total_Formal_Charge	0
12735590	Exact_Mass	110.036779430
12660241	Isotope_Atom_Count	0
23666110	Exact_Mass	672.7720
29228	Undefined_Atom_Stereo_Count	0
71455485	Molecular_Weight	498.0
62445	TPSA	26.3
56842207	Defined_Bond_Stereo_Count	0
3141	Undefined_Bond_Stereo_Count	0
129849	Structure_Complexity	730
63825	Non-hydrogen_Atom_Count	24
60569	Non-hydrogen_Atom_Count	18
43471	Non-hydrogen_Atom_Count	12
10888022	Tautomer_Count	1
23695542	Structure_Complexity	302
49866023	Undefined_Atom_Stereo_Count	0
2803172	TPSA	67.4
9520	Non-hydrogen_Atom_Count	10
81821	Undefined_Bond_Stereo_Count	0
11837140	Hydrogen_Bond_Donor_Count	1
24181458	Hydrogen_Bond_Acceptor_Count	8
6124212	Undefined_Atom_Stereo_Count	4
12634652	Undefined_Bond_Stereo_Count	0
12540922	Total_Formal_Charge	0
72732196	Total_Formal_Charge	0
4989	Structure_Complexity	248
50938	Covalent_Unit_Count	1
51948	Exact_Mass	297.18143228
129865974	Isotope_Atom_Count	0
2775641	Covalent_Unit_Count	1
5289613	Total_Formal_Charge	0
6328234	Hydrogen_Bond_Donor_Count	0
84759	Molecular_Weight	145.16
90475888	Tautomer_Count	3
13739752	Undefined_Bond_Stereo_Count	0
4454	Defined_Bond_Stereo_Count	0
9153	Undefined_Bond_Stereo_Count	0
88464430	Molecular_Weight	117.15
124823816	Structure_Complexity	634
12504793	TPSA	20.2
15551468	Hydrogen_Bond_Acceptor_Count	2
146158340	TPSA	157
69536	Hydrogen_Bond_Acceptor_Count	16
24721276	Hydrogen_Bond_Donor_Count	1
441244	Defined_Atom_Stereo_Count	0
751	TPSA	57.5
9874248	Covalent_Unit_Count	1
71359012	Hydrogen_Bond_Acceptor_Count	1
70634430	Hydrogen_Bond_Acceptor_Count	2
153986581	XLogP3-AA	0.1
82326	Covalent_Unit_Count	2
349902	Covalent_Unit_Count	1
45806	Structure_Complexity	259
9826520	Undefined_Atom_Stereo_Count	0
20485906	Undefined_Bond_Stereo_Count	0
4932	TPSA	58.6
110835	Non-hydrogen_Atom_Count	46
11666	Defined_Atom_Stereo_Count	0
774262	Mono_Isotopic_Weight	267.06439116
31097	Hydrogen_Bond_Donor_Count	1
441542	Mono_Isotopic_Weight	788.31632555
9802865	Hydrogen_Bond_Acceptor_Count	6
535504	XLogP3-AA	0.2
71533242	Structure_Complexity	753
98850	Isotope_Atom_Count	0
3083943	Tautomer_Count	1
71698	Undefined_Bond_Stereo_Count	0
19830380	TPSA	60.7
18459757	Defined_Bond_Stereo_Count	0
17747460	Molecular_Weight	641.3
96335	Isotope_Atom_Count	0
408793	Undefined_Atom_Stereo_Count	0
67938294	Molecular_Weight	95.10
145391309	Covalent_Unit_Count	1
6603759	Undefined_Bond_Stereo_Count	0
23000221	Undefined_Atom_Stereo_Count	0
15188270	Defined_Bond_Stereo_Count	0
9425	Isotope_Atom_Count	0
2237	Covalent_Unit_Count	1
61539	Covalent_Unit_Count	1
76398	Non-hydrogen_Atom_Count	7
17852315	Hydrogen_Bond_Donor_Count	1
107760	Isotope_Atom_Count	0
125462113	Total_Formal_Charge	0
91740	Defined_Atom_Stereo_Count	0
102601816	Defined_Bond_Stereo_Count	0
11241863	Total_Formal_Charge	0
164106781	Non-hydrogen_Atom_Count	8
1176	Tautomer_Count	2
13019077	Exact_Mass	416.32904526
123885601	TPSA	46.2
77342	Defined_Bond_Stereo_Count	0
61048	Rotatable_Bond_Count	4
20448997	Total_Formal_Charge	0
10638446	Undefined_Atom_Stereo_Count	0
9860424	Exact_Mass	277.10759338
63181514	Non-hydrogen_Atom_Count	7
18353888	Total_Formal_Charge	0
16732167	Rotatable_Bond_Count	2
87565291	Undefined_Bond_Stereo_Count	0
46203139	Defined_Atom_Stereo_Count	9
14660779	Isotope_Atom_Count	0
8775	Isotope_Atom_Count	0
131982921	Hydrogen_Bond_Acceptor_Count	2
89216	Total_Formal_Charge	0
104977	Mono_Isotopic_Weight	232.088815002
25138049	Rotatable_Bond_Count	5
261790	Exact_Mass	867.49802062
66703	Undefined_Atom_Stereo_Count	0
16161315	Rotatable_Bond_Count	26
13586830	Covalent_Unit_Count	1
237546	Total_Formal_Charge	0
5423	Hydrogen_Bond_Donor_Count	2
5447130	Hydrogen_Bond_Acceptor_Count	5
91143491	Exact_Mass	99.068413911
63409	Covalent_Unit_Count	1
1780	TPSA	37.3
33443	Non-hydrogen_Atom_Count	16
70694239	XLogP3-AA	2.9
67797735	Molecular_Weight	339.4
63801	Non-hydrogen_Atom_Count	37
2296	XLogP3	4.2
2781329	Non-hydrogen_Atom_Count	8
2724279	Molecular_Weight	118.13
23335962	Defined_Bond_Stereo_Count	0
141583717	Molecular_Weight	587.9
2122	Hydrogen_Bond_Acceptor_Count	8
71234	Rotatable_Bond_Count	5
8888	Undefined_Atom_Stereo_Count	1
449224	Isotope_Atom_Count	0
3086674	Undefined_Atom_Stereo_Count	0
862	Hydrogen_Bond_Acceptor_Count	23
10496498	Hydrogen_Bond_Donor_Count	0
178145	TPSA	37.3
92915	Isotope_Atom_Count	0
136229126	Exact_Mass	206.17427596
11398	Tautomer_Count	1
70615	Total_Formal_Charge	0
21883050	Undefined_Atom_Stereo_Count	0
13908	Exact_Mass	216.02450067
643941	TPSA	17.1
46863	Mono_Isotopic_Weight	234.961448
9388	TPSA	42.5
10964	Total_Formal_Charge	0
90708518	Undefined_Atom_Stereo_Count	0
6461	Defined_Bond_Stereo_Count	0
15580	Molecular_Weight	277.14
1548954	XLogP3-AA	7.2
163866164	Defined_Atom_Stereo_Count	0
57385877	XLogP3-AA	3
73951506	Molecular_Weight	531.4
292103	Structure_Complexity	56
627254	Rotatable_Bond_Count	8
65715	Isotope_Atom_Count	0
53728	Defined_Bond_Stereo_Count	0
36689718	Mono_Isotopic_Weight	117.078978594
7915	Tautomer_Count	1
15906386	Undefined_Bond_Stereo_Count	0
122130338	Total_Formal_Charge	0
23564147	Exact_Mass	112.088815002
3033012	Rotatable_Bond_Count	5
139024314	TPSA	60.7
51946	Exact_Mass	192.175224706
7126	Hydrogen_Bond_Acceptor_Count	5
8870	Undefined_Bond_Stereo_Count	0
19688498	Defined_Bond_Stereo_Count	0
122108	Hydrogen_Bond_Donor_Count	7
95864	Mono_Isotopic_Weight	178.00885060
4019563	Hydrogen_Bond_Donor_Count	2
54585642	Covalent_Unit_Count	1
64994767	Rotatable_Bond_Count	1
53249491	Undefined_Bond_Stereo_Count	0
22608833	Non-hydrogen_Atom_Count	5
60196266	Rotatable_Bond_Count	16
704328	Exact_Mass	340.16093457
24794350	Rotatable_Bond_Count	3
455742	Hydrogen_Bond_Acceptor_Count	12
6427770	Isotope_Atom_Count	0
2099	Structure_Complexity	442
5376733	Total_Formal_Charge	0
15385	Molecular_Weight	163.02
11394	Total_Formal_Charge	0
58795738	Covalent_Unit_Count	1
65985700	Undefined_Atom_Stereo_Count	1
5282409	Structure_Complexity	386
6437371	Hydrogen_Bond_Donor_Count	0
1438038	Defined_Bond_Stereo_Count	0
4359	Undefined_Bond_Stereo_Count	0
71311141	Mono_Isotopic_Weight	222.161979940
135749823	TPSA	250
11768551	Hydrogen_Bond_Acceptor_Count	2
2734680	Molecular_Weight	562.0
51759	Molecular_Weight	482.6
6918204	Molecular_Weight	1058.1
13631121	Structure_Complexity	72.2
133556498	Structure_Complexity	896
71719561	Undefined_Atom_Stereo_Count	0
2296	Mono_Isotopic_Weight	491.20563565
14146878	Mono_Isotopic_Weight	113.084063974
71887	Molecular_Weight	248.28
15990796	Defined_Atom_Stereo_Count	0
40973	Defined_Bond_Stereo_Count	0
662452	Hydrogen_Bond_Acceptor_Count	7
114426	Mono_Isotopic_Weight	114.068079557
25151504	Isotope_Atom_Count	0
69462	Undefined_Atom_Stereo_Count	0
67382752	Total_Formal_Charge	0
62097	XLogP3-AA	2.1
8670	Molecular_Weight	221.12
5284361	XLogP3-AA	6.7
56841897	Covalent_Unit_Count	1
3634	Total_Formal_Charge	0
3720	Molecular_Weight	810.7
6365145	Tautomer_Count	6
107901	Hydrogen_Bond_Acceptor_Count	4
72049	Non-hydrogen_Atom_Count	35
70220	Rotatable_Bond_Count	2
5352461	Hydrogen_Bond_Acceptor_Count	2
91473751	Total_Formal_Charge	0
6114	Defined_Bond_Stereo_Count	0
8296	Defined_Bond_Stereo_Count	0
3014096	XLogP3	2.8
88283211	Undefined_Bond_Stereo_Count	0
23521244	Structure_Complexity	78
5462309	Defined_Atom_Stereo_Count	0
86691500	Exact_Mass	164.076974926
160368576	Hydrogen_Bond_Donor_Count	1
69861	Hydrogen_Bond_Donor_Count	1
9912474	Undefined_Bond_Stereo_Count	0
6324663	Defined_Atom_Stereo_Count	7
90876488	Exact_Mass	342.11621151
6331630	XLogP3-AA	1.1
455	Undefined_Bond_Stereo_Count	0
8168	Rotatable_Bond_Count	11
12672856	Defined_Atom_Stereo_Count	0
928685	Defined_Bond_Stereo_Count	0
139088888	Total_Formal_Charge	0
10700	Tautomer_Count	1
3086637	Exact_Mass	482.12129689
6917860	Hydrogen_Bond_Acceptor_Count	9
13601830	Defined_Atom_Stereo_Count	0
140180	Non-hydrogen_Atom_Count	7
24848345	Molecular_Weight	234.31
7818	Structure_Complexity	54.9
13715986	Molecular_Weight	118.13
24947	Molecular_Weight	183.32
56924536	Exact_Mass	309.921259
11434927	Undefined_Atom_Stereo_Count	0
15032	Total_Formal_Charge	0
75530159	Isotope_Atom_Count	0
13050	TPSA	46.5
98053103	Undefined_Bond_Stereo_Count	0
104123	Structure_Complexity	156
12514401	Covalent_Unit_Count	1
11949646	Defined_Atom_Stereo_Count	6
638186	Mono_Isotopic_Weight	95.9533555
3928	XLogP3	0.2
2734172	Molecular_Weight	199.72
147633433	Hydrogen_Bond_Acceptor_Count	4
57396887	Hydrogen_Bond_Donor_Count	3
74825	Mono_Isotopic_Weight	243.901449
120738	TPSA	29.5
11446361	Hydrogen_Bond_Donor_Count	1
33363	Mono_Isotopic_Weight	267.162314293
29675	Isotope_Atom_Count	0
40496	XLogP3	6.8
54687420	Hydrogen_Bond_Donor_Count	1
54685047	Isotope_Atom_Count	0
57401683	Undefined_Atom_Stereo_Count	0
67704	Exact_Mass	104.063743068
5315455	Hydrogen_Bond_Acceptor_Count	7
130285	Undefined_Bond_Stereo_Count	0
3335	Structure_Complexity	310
23519852	Defined_Bond_Stereo_Count	0
5484736	Undefined_Bond_Stereo_Count	0
11819055	Hydrogen_Bond_Donor_Count	0
44225660	Molecular_Weight	535.8
14865900	Hydrogen_Bond_Acceptor_Count	2
46244259	Defined_Bond_Stereo_Count	0
75358112	Total_Formal_Charge	0
444314	Total_Formal_Charge	0
44404657	Rotatable_Bond_Count	11
13445118	Undefined_Bond_Stereo_Count	0
9568613	Non-hydrogen_Atom_Count	49
40326	TPSA	35.5
447407	Non-hydrogen_Atom_Count	16
14512532	Hydrogen_Bond_Donor_Count	1
18137	Exact_Mass	198.07122084
521381	Molecular_Weight	360.4
5770	Hydrogen_Bond_Acceptor_Count	10
11670791	Undefined_Atom_Stereo_Count	0
20231751	Mono_Isotopic_Weight	160.9560951
52944459	Molecular_Weight	381.4
107670	Defined_Atom_Stereo_Count	11
633366	Structure_Complexity	335
526624	Covalent_Unit_Count	1
130035	Total_Formal_Charge	0
45484851	Molecular_Weight	419.7
5281416	Hydrogen_Bond_Donor_Count	2
49864506	Non-hydrogen_Atom_Count	20
5702044	Non-hydrogen_Atom_Count	40
11581936	Defined_Atom_Stereo_Count	0
157849	Isotope_Atom_Count	0
57397898	Non-hydrogen_Atom_Count	30
8172	Undefined_Atom_Stereo_Count	0
5314123	Mono_Isotopic_Weight	96.057514874
4873	Hydrogen_Bond_Donor_Count	0
12951370	Tautomer_Count	1
74470	Isotope_Atom_Count	0
92600	Undefined_Atom_Stereo_Count	0
12217	Defined_Atom_Stereo_Count	0
264852	Rotatable_Bond_Count	2
62529	Mono_Isotopic_Weight	192.162648646
137747	Exact_Mass	52.0313001276
3085401	XLogP3	3.1
6950274	Tautomer_Count	1
37541	Undefined_Bond_Stereo_Count	0
19100836	Covalent_Unit_Count	1
12451640	Rotatable_Bond_Count	5
81540	Structure_Complexity	54
680036	Exact_Mass	332.17360725
9935073	Covalent_Unit_Count	1
10797	Undefined_Bond_Stereo_Count	0
13379958	TPSA	17.1
16134627	Undefined_Atom_Stereo_Count	0
124946	Undefined_Atom_Stereo_Count	0
10470886	Mono_Isotopic_Weight	314.14912384
90460054	Undefined_Atom_Stereo_Count	1
9168	Undefined_Bond_Stereo_Count	0
83063	Rotatable_Bond_Count	3
3392	Undefined_Atom_Stereo_Count	9
18950548	Defined_Atom_Stereo_Count	0
442070	Isotope_Atom_Count	0
534132	Rotatable_Bond_Count	0
541123	Defined_Atom_Stereo_Count	0
84647615	Hydrogen_Bond_Acceptor_Count	3
3878721	TPSA	176
5367854	Total_Formal_Charge	0
140793266	Rotatable_Bond_Count	1
136346	TPSA	40.5
57303	Tautomer_Count	2
16590	Hydrogen_Bond_Acceptor_Count	2
3614551	Isotope_Atom_Count	0
57061642	Rotatable_Bond_Count	2
201412	Structure_Complexity	458
10996	Covalent_Unit_Count	1
162681560	Non-hydrogen_Atom_Count	8
5284592	Exact_Mass	372.26644501
57773	Defined_Atom_Stereo_Count	0
72200352	TPSA	90.8
71624688	TPSA	67.9
18382	Hydrogen_Bond_Donor_Count	1
124427925	Covalent_Unit_Count	1
16699	Isotope_Atom_Count	0
119097350	Mono_Isotopic_Weight	96.057514874
91507903	Hydrogen_Bond_Acceptor_Count	3
9574343	Non-hydrogen_Atom_Count	36
5681	Tautomer_Count	1
54105649	Defined_Bond_Stereo_Count	0
56120	Defined_Atom_Stereo_Count	0
15139	Undefined_Atom_Stereo_Count	0
23677989	Hydrogen_Bond_Donor_Count	6
11596660	Non-hydrogen_Atom_Count	31
12276	Hydrogen_Bond_Donor_Count	0
117717938	Structure_Complexity	382
781234	TPSA	48.9
51671	Mono_Isotopic_Weight	413.18854629
120738	Rotatable_Bond_Count	4
19751	Hydrogen_Bond_Donor_Count	0
28674	Exact_Mass	99.043261792
47491	Hydrogen_Bond_Acceptor_Count	7
86171	Defined_Atom_Stereo_Count	0
643798	Hydrogen_Bond_Donor_Count	2
10133975	XLogP3-AA	3.5
71752170	Hydrogen_Bond_Donor_Count	1
15950514	Total_Formal_Charge	0
20653	Rotatable_Bond_Count	4
86266	Tautomer_Count	1
12515628	Undefined_Bond_Stereo_Count	0
65108	Structure_Complexity	274
819109	XLogP3-AA	1.7
16133899	Hydrogen_Bond_Acceptor_Count	152
9888484	Hydrogen_Bond_Donor_Count	1
19927	Non-hydrogen_Atom_Count	7
53875238	Undefined_Atom_Stereo_Count	1
11860544	Rotatable_Bond_Count	1
344693	Mono_Isotopic_Weight	226.099379685
23688976	Exact_Mass	229.07485883
174512	Tautomer_Count	1
5167	Covalent_Unit_Count	1
5047019	Exact_Mass	167.03443370
93577	Undefined_Bond_Stereo_Count	0
637517	Hydrogen_Bond_Acceptor_Count	2
145391309	Exact_Mass	101.047678466
95361	TPSA	55.8
544627	Defined_Atom_Stereo_Count	0
67528035	Structure_Complexity	52
57023262	Defined_Bond_Stereo_Count	0
77442	Rotatable_Bond_Count	13
131872	Hydrogen_Bond_Donor_Count	1
12669582	Covalent_Unit_Count	1
8561	Tautomer_Count	1
10046567	Non-hydrogen_Atom_Count	29
9893	Covalent_Unit_Count	1
11966124	Total_Formal_Charge	0
19362293	Total_Formal_Charge	0
14534553	Hydrogen_Bond_Donor_Count	2
11647899	Defined_Bond_Stereo_Count	0
18779	Defined_Bond_Stereo_Count	0
5315659	Non-hydrogen_Atom_Count	23
105037	Tautomer_Count	1
5288193	Covalent_Unit_Count	1
448388	Undefined_Bond_Stereo_Count	0
45168044	XLogP3-AA	4.4
31216	Isotope_Atom_Count	0
77038	Rotatable_Bond_Count	4
136516	Tautomer_Count	1
72200758	Hydrogen_Bond_Donor_Count	3
23434	Structure_Complexity	425
9971980	Defined_Atom_Stereo_Count	0
15174929	Defined_Bond_Stereo_Count	0
7087	XLogP3	3.9
25058199	Exact_Mass	473.12567125
16732454	Isotope_Atom_Count	0
1204288	Tautomer_Count	3
123373137	Defined_Atom_Stereo_Count	0
18669	Hydrogen_Bond_Acceptor_Count	1
6850791	Isotope_Atom_Count	0
23729769	Covalent_Unit_Count	1
101906815	Structure_Complexity	5530
31331	Tautomer_Count	1
72666	Defined_Atom_Stereo_Count	0
708614	Total_Formal_Charge	0
24973796	Exact_Mass	99.079647300
68476	Rotatable_Bond_Count	0
67781	XLogP3	2
876	TPSA	88.6
15853020	Undefined_Bond_Stereo_Count	0
77801	Defined_Bond_Stereo_Count	0
11605	Mono_Isotopic_Weight	80.062600255
60150535	Hydrogen_Bond_Acceptor_Count	6
71773	Exact_Mass	499.16984474
53275765	Hydrogen_Bond_Acceptor_Count	1
74523	Hydrogen_Bond_Donor_Count	2
11966162	Hydrogen_Bond_Donor_Count	9
3915	Structure_Complexity	681
13465027	Structure_Complexity	72.9
124201618	Mono_Isotopic_Weight	690.32985036
10020475	Total_Formal_Charge	0
7021156	Rotatable_Bond_Count	4
911106	TPSA	32.7
20788567	Rotatable_Bond_Count	4
20232381	Non-hydrogen_Atom_Count	6
3083346	Mono_Isotopic_Weight	335.15801676
589692	Structure_Complexity	138
3011721	Rotatable_Bond_Count	11
25019176	Mono_Isotopic_Weight	350.15768240
945	Isotope_Atom_Count	0
75445	Molecular_Weight	477.7
71970	Hydrogen_Bond_Donor_Count	2
12867435	Structure_Complexity	97.2
8862	Defined_Bond_Stereo_Count	0
4611851	Undefined_Atom_Stereo_Count	1
76356	Structure_Complexity	211
144739862	Covalent_Unit_Count	1
3839223	TPSA	60.4
19375411	Hydrogen_Bond_Donor_Count	0
9793705	Structure_Complexity	78.1
11549	Total_Formal_Charge	0
11281300	Undefined_Bond_Stereo_Count	0
24949552	Undefined_Bond_Stereo_Count	0
13758358	Defined_Bond_Stereo_Count	0
124037382	Structure_Complexity	19100
60612	Mono_Isotopic_Weight	200.131348519
461399	Mono_Isotopic_Weight	409.1004755
49243	Structure_Complexity	338
9300	Molecular_Weight	291.71
12271341	Defined_Atom_Stereo_Count	0
7941	Isotope_Atom_Count	0
57390867	Structure_Complexity	731
81668	Tautomer_Count	1
307	Undefined_Atom_Stereo_Count	0
4811	Mono_Isotopic_Weight	275.16337692
59277765	Undefined_Atom_Stereo_Count	0
69244	Rotatable_Bond_Count	2
7059596	TPSA	23.5
54887	Hydrogen_Bond_Donor_Count	4
137719	Rotatable_Bond_Count	2
284161	Undefined_Bond_Stereo_Count	0
143378061	Undefined_Bond_Stereo_Count	0
12590456	Non-hydrogen_Atom_Count	7
440317	Rotatable_Bond_Count	8
70682196	Mono_Isotopic_Weight	412.18992602
119584	Total_Formal_Charge	0
41881	TPSA	145
8508	Molecular_Weight	545.7
959571	Undefined_Atom_Stereo_Count	0
63996	Covalent_Unit_Count	1
15031772	Isotope_Atom_Count	0
163276613	Rotatable_Bond_Count	1
11192	Defined_Bond_Stereo_Count	0
53315110	Non-hydrogen_Atom_Count	18
29025	Defined_Bond_Stereo_Count	0
119086018	Non-hydrogen_Atom_Count	8
23687810	Covalent_Unit_Count	2
53835225	Non-hydrogen_Atom_Count	7
13618050	Defined_Bond_Stereo_Count	0
24181476	Hydrogen_Bond_Donor_Count	1
62484	Isotope_Atom_Count	0
15272297	Molecular_Weight	112.13
26058	Exact_Mass	170.203450829
1662	Non-hydrogen_Atom_Count	11
9862634	Mono_Isotopic_Weight	221.120449483
13740445	TPSA	25.2
63801	Covalent_Unit_Count	2
95883	Covalent_Unit_Count	1
16052011	Molecular_Weight	1329.5
9844194	XLogP3-AA	3
22563	Structure_Complexity	142
443131	Rotatable_Bond_Count	2
11094575	Hydrogen_Bond_Donor_Count	1
21793339	Rotatable_Bond_Count	0
564751	Isotope_Atom_Count	0
4156	Hydrogen_Bond_Acceptor_Count	3
22140765	Undefined_Bond_Stereo_Count	0
4250936	XLogP3-AA	1
12315192	Covalent_Unit_Count	1
24760653	Hydrogen_Bond_Acceptor_Count	6
70683091	Structure_Complexity	683
10289038	Exact_Mass	491.23212518
347880	Structure_Complexity	216
11228026	Isotope_Atom_Count	0
522002	Defined_Atom_Stereo_Count	0
99486	Covalent_Unit_Count	1
58599	Structure_Complexity	316
16220118	Exact_Mass	313.0481653
5704083	Isotope_Atom_Count	0
750284	Hydrogen_Bond_Donor_Count	1
65039	Mono_Isotopic_Weight	378.12494298
8793	Structure_Complexity	171
22170247	Isotope_Atom_Count	0
13898	TPSA	36.3
6525	Covalent_Unit_Count	1
424893	Structure_Complexity	751
24848235	Undefined_Bond_Stereo_Count	0
5770	Covalent_Unit_Count	1
558341	XLogP3-AA	0.2
131698851	Non-hydrogen_Atom_Count	51
20827794	Covalent_Unit_Count	1
68156	Total_Formal_Charge	0
54031007	Undefined_Bond_Stereo_Count	0
529	Covalent_Unit_Count	1
599225	XLogP3-AA	1.8
8555	Total_Formal_Charge	0
40391	Mono_Isotopic_Weight	308.0716407
5459845	Hydrogen_Bond_Donor_Count	4
15752	Isotope_Atom_Count	0
536431	Mono_Isotopic_Weight	116.083729621
14911569	Molecular_Weight	100.12
5288252	TPSA	111
13235330	Defined_Bond_Stereo_Count	0
4730	Undefined_Atom_Stereo_Count	3
93036	Exact_Mass	385.95146
6440459	Defined_Bond_Stereo_Count	1
14815775	Covalent_Unit_Count	1
73082918	Structure_Complexity	811
140050359	Non-hydrogen_Atom_Count	8
123268	TPSA	40.1
550655	Hydrogen_Bond_Donor_Count	0
44562738	Undefined_Atom_Stereo_Count	0
562	Molecular_Weight	162.21
116842253	Mono_Isotopic_Weight	109.089149355
6917951	Hydrogen_Bond_Acceptor_Count	5
612130	Isotope_Atom_Count	0
11714580	Undefined_Bond_Stereo_Count	0
60196366	Mono_Isotopic_Weight	539.93301
53956489	Hydrogen_Bond_Donor_Count	1
3086428	Hydrogen_Bond_Donor_Count	8
69722	XLogP3-AA	1.3
31269	Covalent_Unit_Count	1
17945002	Hydrogen_Bond_Acceptor_Count	1
24480	Structure_Complexity	2.8
254021	Mono_Isotopic_Weight	223.063328530
94811	Non-hydrogen_Atom_Count	6
814155	Rotatable_Bond_Count	5
25245167	Exact_Mass	122.98472060
11774	Molecular_Weight	440.3
10035228	Tautomer_Count	1
59296039	Covalent_Unit_Count	1
45157716	Hydrogen_Bond_Acceptor_Count	8
90393	Exact_Mass	283.157228913
6918106	Defined_Atom_Stereo_Count	2
162883451	Total_Formal_Charge	0
774	Defined_Atom_Stereo_Count	0
16775060	TPSA	12
4259	Exact_Mass	401.17508442
44410953	Structure_Complexity	617
186094	Defined_Atom_Stereo_Count	0
5121	Defined_Atom_Stereo_Count	0
3092	Mono_Isotopic_Weight	225.03857033
59653	Total_Formal_Charge	0
73277	XLogP3	0.7
648601	Mono_Isotopic_Weight	257.10519334
60148392	Non-hydrogen_Atom_Count	27
774	Rotatable_Bond_Count	2
139584807	Non-hydrogen_Atom_Count	18
23665730	Undefined_Bond_Stereo_Count	0
89390979	Defined_Atom_Stereo_Count	0
9920369	Molecular_Weight	97.12
20767638	Covalent_Unit_Count	1
57013000	XLogP3-AA	0.6
1346	TPSA	24.5
6917939	Hydrogen_Bond_Acceptor_Count	5
38350	Total_Formal_Charge	0
52576	Covalent_Unit_Count	1
51635	Molecular_Weight	269.77
10937610	Hydrogen_Bond_Donor_Count	0
14464334	Total_Formal_Charge	0
145705668	Undefined_Bond_Stereo_Count	2
5353510	Hydrogen_Bond_Acceptor_Count	10
4366885	Defined_Atom_Stereo_Count	0
23293	Covalent_Unit_Count	1
69429	XLogP3-AA	7.8
12140167	Undefined_Bond_Stereo_Count	0
118027	Mono_Isotopic_Weight	140.083729621
3680	Rotatable_Bond_Count	4
34991	XLogP3-AA	1.9
58468319	Non-hydrogen_Atom_Count	8
16406	Rotatable_Bond_Count	5
9852176	Defined_Atom_Stereo_Count	2
19977	Undefined_Bond_Stereo_Count	0
46274	Defined_Atom_Stereo_Count	0
140625088	Mono_Isotopic_Weight	284.16237386
2733	Defined_Atom_Stereo_Count	0
10909908	Rotatable_Bond_Count	4
443945	Undefined_Bond_Stereo_Count	0
44468216	Rotatable_Bond_Count	2
53867	Isotope_Atom_Count	0
7172302	Structure_Complexity	99.3
6426699	Rotatable_Bond_Count	2
2332	Rotatable_Bond_Count	1
312145	Undefined_Bond_Stereo_Count	0
12302695	Hydrogen_Bond_Donor_Count	8
6917656	Undefined_Bond_Stereo_Count	0
46916	Undefined_Atom_Stereo_Count	0
38255	Mono_Isotopic_Weight	387.818595
6450173	Hydrogen_Bond_Donor_Count	3
8158	Isotope_Atom_Count	0
71371762	Molecular_Weight	96.13
23652660	Rotatable_Bond_Count	5
22607060	Hydrogen_Bond_Donor_Count	0
96886	Mono_Isotopic_Weight	181.06628286
64033	Molecular_Weight	260.29
5462222	Covalent_Unit_Count	1
50587	Molecular_Weight	679.8
23103323	Isotope_Atom_Count	0
139291782	Total_Formal_Charge	0
147919783	Isotope_Atom_Count	0
5459377	Defined_Bond_Stereo_Count	0
2230	Rotatable_Bond_Count	2
4340561	Rotatable_Bond_Count	2
534451	TPSA	12.5
131709170	TPSA	476
53317121	Covalent_Unit_Count	1
53321035	Structure_Complexity	347
18075	Tautomer_Count	20
6810	Undefined_Atom_Stereo_Count	2
33886	Isotope_Atom_Count	0
22601	Hydrogen_Bond_Acceptor_Count	5
181511	TPSA	40.5
156008	Non-hydrogen_Atom_Count	9
42104317	TPSA	78.9
1229	Hydrogen_Bond_Donor_Count	1
54311720	Hydrogen_Bond_Donor_Count	1
5281706	Undefined_Bond_Stereo_Count	0
73425066	Undefined_Atom_Stereo_Count	0
2734244	Exact_Mass	240.1420914
409350	Hydrogen_Bond_Acceptor_Count	4
53172	Undefined_Bond_Stereo_Count	0
139064747	Structure_Complexity	456
60196261	Defined_Atom_Stereo_Count	0
74534	Isotope_Atom_Count	0
63255	Rotatable_Bond_Count	3
144452917	Undefined_Atom_Stereo_Count	0
9895194	XLogP3-AA	4.8
53670643	Mono_Isotopic_Weight	114.042927438
20426485	Exact_Mass	100.088815002
12298558	Non-hydrogen_Atom_Count	8
5459211	Undefined_Bond_Stereo_Count	0
317846	Rotatable_Bond_Count	1
54066	Mono_Isotopic_Weight	250.168127949
55414	Structure_Complexity	317
61056	Exact_Mass	186.198365449
3093785	Covalent_Unit_Count	1
10517	Rotatable_Bond_Count	9
9604	Covalent_Unit_Count	1
5515	XLogP3-AA	0.5
19042	Tautomer_Count	1
67472	Mono_Isotopic_Weight	180.068748264
13205764	Defined_Bond_Stereo_Count	0
44338989	XLogP3-AA	3.6
3707	Undefined_Bond_Stereo_Count	0
14539800	Isotope_Atom_Count	0
7048801	Structure_Complexity	139
66545744	TPSA	58.7
7992	Tautomer_Count	1
60203	Defined_Bond_Stereo_Count	0
66062	Undefined_Bond_Stereo_Count	0
53484518	Covalent_Unit_Count	1
537906	Hydrogen_Bond_Donor_Count	1
2811261	Isotope_Atom_Count	0
14812	Undefined_Atom_Stereo_Count	0
7144	Mono_Isotopic_Weight	138.068079557
186114	Isotope_Atom_Count	0
16170150	XLogP3-AA	10.7
71541278	Covalent_Unit_Count	1
6843	Undefined_Atom_Stereo_Count	0
70687386	Covalent_Unit_Count	1
12991988	Exact_Mass	396.06121838
905275	Defined_Atom_Stereo_Count	0
15528723	Total_Formal_Charge	0
6604009	Non-hydrogen_Atom_Count	29
32359	Hydrogen_Bond_Acceptor_Count	3
25142172	Hydrogen_Bond_Acceptor_Count	3
288	Rotatable_Bond_Count	3
59850618	Total_Formal_Charge	0
564751	Undefined_Bond_Stereo_Count	0
5717801	Defined_Atom_Stereo_Count	0
38040	Mono_Isotopic_Weight	289.922361
6438895	Hydrogen_Bond_Donor_Count	3
18383	Undefined_Bond_Stereo_Count	0
66711	TPSA	31.4
75614	Defined_Bond_Stereo_Count	0
2904	Exact_Mass	379.0427261
6871216	Exact_Mass	511.99526894
27868	Isotope_Atom_Count	0
66615606	Molecular_Weight	514.0
57681561	Mono_Isotopic_Weight	393.21781779
5284614	Mono_Isotopic_Weight	311.1440774
8681	Structure_Complexity	395
92209	Hydrogen_Bond_Donor_Count	1
38013	XLogP3	7.2
10045495	Total_Formal_Charge	0
167811	Exact_Mass	407.18616006
31803	Isotope_Atom_Count	0
61067	Molecular_Weight	116.16
7351	XLogP3-AA	2.5
12754184	Mono_Isotopic_Weight	97.089149355
25072736	Defined_Bond_Stereo_Count	0
5287971	Hydrogen_Bond_Acceptor_Count	8
129840260	Undefined_Bond_Stereo_Count	0
13356643	TPSA	20.2
1811	Hydrogen_Bond_Donor_Count	2
163325	Non-hydrogen_Atom_Count	6
6427135	Non-hydrogen_Atom_Count	11
4528	XLogP3-AA	2.6
91420197	Isotope_Atom_Count	0
10986185	Structure_Complexity	98.7
54303301	XLogP3-AA	2.7
154266294	Rotatable_Bond_Count	1
36209	Tautomer_Count	1
20337519	Mono_Isotopic_Weight	86.084398327
12596780	Exact_Mass	78.010564683
133967	Mono_Isotopic_Weight	290.20459364
26421	Tautomer_Count	1
55011	Undefined_Bond_Stereo_Count	0
15139	Isotope_Atom_Count	0
130150721	Hydrogen_Bond_Donor_Count	1
3015773	Total_Formal_Charge	0
80283	Mono_Isotopic_Weight	103.063328530
64113	Mono_Isotopic_Weight	541.2496051
3763607	Defined_Bond_Stereo_Count	0
71316	XLogP3-AA	8.7
14086017	Isotope_Atom_Count	0
16726085	Non-hydrogen_Atom_Count	30
71357579	Isotope_Atom_Count	0
522731	Undefined_Bond_Stereo_Count	1
86399	Non-hydrogen_Atom_Count	14
87237616	Mono_Isotopic_Weight	836.79854718
19266	Isotope_Atom_Count	0
1068	Defined_Atom_Stereo_Count	0
53472153	Defined_Atom_Stereo_Count	0
87365092	Rotatable_Bond_Count	3
20299950	Total_Formal_Charge	0
16073662	Non-hydrogen_Atom_Count	42
6434253	Structure_Complexity	688
441344	Defined_Bond_Stereo_Count	0
15766	Non-hydrogen_Atom_Count	13
5702220	Defined_Atom_Stereo_Count	0
14597941	Hydrogen_Bond_Acceptor_Count	2
67239709	Defined_Bond_Stereo_Count	0
12892799	TPSA	0
21809327	Non-hydrogen_Atom_Count	8
57112474	Covalent_Unit_Count	1
13506	TPSA	242
86488	Non-hydrogen_Atom_Count	17
2724564	Structure_Complexity	96.6
98048103	Hydrogen_Bond_Acceptor_Count	16
46202743	XLogP3-AA	3.3
534204	Structure_Complexity	112
8593	Undefined_Atom_Stereo_Count	0
1714204	Total_Formal_Charge	0
4184	Exact_Mass	264.162648646
11521070	TPSA	29.1
9799888	Hydrogen_Bond_Donor_Count	1
36342	Total_Formal_Charge	0
5282437	Non-hydrogen_Atom_Count	40
60209624	Defined_Atom_Stereo_Count	0
11839	Exact_Mass	343.78700
8585	Defined_Bond_Stereo_Count	0
6204	Covalent_Unit_Count	1
11077530	Molecular_Weight	303.14
12768628	Molecular_Weight	95.14
40467085	Mono_Isotopic_Weight	489.06509963
71742521	Mono_Isotopic_Weight	111.068413911
65737	XLogP3-AA	1.8
13521	Defined_Atom_Stereo_Count	0
11957725	Undefined_Bond_Stereo_Count	0
102239071	Exact_Mass	75.001473
3082460	Non-hydrogen_Atom_Count	24
49217	Isotope_Atom_Count	0
2132	Rotatable_Bond_Count	3
12873460	TPSA	239
121246104	TPSA	26.3
6495	Defined_Atom_Stereo_Count	0
3137736	Rotatable_Bond_Count	3
13511141	Structure_Complexity	274
413525	Mono_Isotopic_Weight	286.1236763
139105	Hydrogen_Bond_Donor_Count	0
17902	Defined_Atom_Stereo_Count	0
190	Total_Formal_Charge	0
58827	Exact_Mass	313.16779360
24865264	Non-hydrogen_Atom_Count	33
67437	Exact_Mass	156.115029749
80507	Undefined_Bond_Stereo_Count	0
6328534	Non-hydrogen_Atom_Count	60
160157	Molecular_Weight	205.64
15204529	Undefined_Atom_Stereo_Count	2
154342062	Structure_Complexity	121
54054905	Hydrogen_Bond_Donor_Count	2
24086	Molecular_Weight	371.4
21859	Defined_Bond_Stereo_Count	0
73920	Structure_Complexity	754
73425158	Total_Formal_Charge	0
53309	Total_Formal_Charge	0
50989726	TPSA	26
5280888	Defined_Atom_Stereo_Count	5
108227	TPSA	90
17904790	Rotatable_Bond_Count	1
62961	Non-hydrogen_Atom_Count	33
10224595	Defined_Bond_Stereo_Count	0
91435393	Hydrogen_Bond_Donor_Count	2
74616	Covalent_Unit_Count	1
2100	Mono_Isotopic_Weight	918.35416761
22928648	Hydrogen_Bond_Donor_Count	1
53456	Covalent_Unit_Count	1
67495	Total_Formal_Charge	0
92043128	Non-hydrogen_Atom_Count	53
39042	Molecular_Weight	361.8
127612	Isotope_Atom_Count	0
23663969	Covalent_Unit_Count	2
677105	Defined_Bond_Stereo_Count	0
54758599	TPSA	751
54575456	XLogP3-AA	1.3
61041	Exact_Mass	150.104465066
24180714	Defined_Bond_Stereo_Count	0
25102937	Defined_Atom_Stereo_Count	1
56680102	Mono_Isotopic_Weight	480.09039069
19828393	Mono_Isotopic_Weight	135.079647300
30999	Undefined_Bond_Stereo_Count	0
9820073	Hydrogen_Bond_Acceptor_Count	4
129627386	Molecular_Weight	447.4
102119819	Defined_Bond_Stereo_Count	0
192912	Exact_Mass	286.83642
70969	Defined_Bond_Stereo_Count	0
32446	Molecular_Weight	357.9
140229090	TPSA	21.6
5282229	TPSA	101
439271	Rotatable_Bond_Count	5
68464	XLogP3-AA	3.5
53856650	Exact_Mass	110.109550447
16090272	Isotope_Atom_Count	0
24848402	Isotope_Atom_Count	0
139341721	XLogP3-AA	1
70838	Rotatable_Bond_Count	4
78420	XLogP3	2.4
87032	Non-hydrogen_Atom_Count	14
5487888	Mono_Isotopic_Weight	397.05146094
11164	Isotope_Atom_Count	0
101988841	Rotatable_Bond_Count	0
13743295	Hydrogen_Bond_Donor_Count	0
9504	Undefined_Bond_Stereo_Count	0
56619338	Molecular_Weight	170.08
85787089	Non-hydrogen_Atom_Count	8
9935	Isotope_Atom_Count	0
61810	Hydrogen_Bond_Donor_Count	1
9939627	Total_Formal_Charge	0
70447	Undefined_Atom_Stereo_Count	0
165687912	Undefined_Bond_Stereo_Count	0
129893609	TPSA	365
60154327	Exact_Mass	319.0948358
57371080	Undefined_Bond_Stereo_Count	0
10285793	Molecular_Weight	128.09
40703	Mono_Isotopic_Weight	589.14023
25117126	Undefined_Bond_Stereo_Count	0
46780884	Molecular_Weight	562.5
123467456	Mono_Isotopic_Weight	116.083729621
22856	Defined_Bond_Stereo_Count	0
820051	TPSA	65.2
13235324	Isotope_Atom_Count	0
5371993	Undefined_Atom_Stereo_Count	6
90469695	Hydrogen_Bond_Donor_Count	5
5283739	Undefined_Bond_Stereo_Count	0
22636846	Structure_Complexity	124
11750	Rotatable_Bond_Count	1
11407412	Rotatable_Bond_Count	6
12661198	TPSA	25.1
12260	XLogP3-AA	3.1
104944	Mono_Isotopic_Weight	94.041864811
447029	Undefined_Bond_Stereo_Count	0
630	Covalent_Unit_Count	1
2459	Hydrogen_Bond_Donor_Count	4
49505	Defined_Atom_Stereo_Count	0
16678941	Mono_Isotopic_Weight	452.11837800
6742	Defined_Atom_Stereo_Count	9
60196333	Undefined_Bond_Stereo_Count	0
11957535	Structure_Complexity	318
4047	Total_Formal_Charge	0
6917656	Rotatable_Bond_Count	2
68401	Undefined_Bond_Stereo_Count	0
13653	Hydrogen_Bond_Donor_Count	3
5521	Exact_Mass	161.06056562
45085069	Hydrogen_Bond_Donor_Count	0
45484135	Non-hydrogen_Atom_Count	35
6537488	Covalent_Unit_Count	1
79724	Exact_Mass	330.09192877
9049	Hydrogen_Bond_Acceptor_Count	1
7621	Rotatable_Bond_Count	8
7813	Mono_Isotopic_Weight	107.073499291
39764	Non-hydrogen_Atom_Count	41
118374185	TPSA	15.3
15008	Molecular_Weight	196.20
53903478	Isotope_Atom_Count	0
18798529	Hydrogen_Bond_Acceptor_Count	0
62380	Molecular_Weight	342.5
10378	Hydrogen_Bond_Donor_Count	2
165363453	Rotatable_Bond_Count	6
135550179	TPSA	220
56436	TPSA	45.2
68490	Covalent_Unit_Count	1
69968	Isotope_Atom_Count	0
3527810	Defined_Atom_Stereo_Count	0
3057	Undefined_Bond_Stereo_Count	0
32518	Molecular_Weight	297.5
51038316	Tautomer_Count	9
65332	Isotope_Atom_Count	0
8674	Mono_Isotopic_Weight	303.97114494
12704953	Covalent_Unit_Count	1
65093	XLogP3-AA	2.6
5078	Undefined_Atom_Stereo_Count	0
117781134	Non-hydrogen_Atom_Count	14
5684	Defined_Atom_Stereo_Count	0
740	Non-hydrogen_Atom_Count	16
11693901	Rotatable_Bond_Count	0
55284853	Isotope_Atom_Count	0
65718	Undefined_Atom_Stereo_Count	0
70124	Undefined_Atom_Stereo_Count	1
439587	TPSA	90
9894291	Structure_Complexity	459
7240495	Defined_Bond_Stereo_Count	1
2794666	Hydrogen_Bond_Donor_Count	2
164631	Defined_Atom_Stereo_Count	1
4931	Defined_Bond_Stereo_Count	0
86412	Undefined_Atom_Stereo_Count	0
127053480	Isotope_Atom_Count	0
285106	Undefined_Bond_Stereo_Count	0
36690486	Undefined_Bond_Stereo_Count	0
373077	Rotatable_Bond_Count	0
16351	Mono_Isotopic_Weight	343.0909965
5890	Isotope_Atom_Count	0
162990683	Molecular_Weight	665.7
134694678	Mono_Isotopic_Weight	585.30501534
76980	Defined_Atom_Stereo_Count	0
11635763	Isotope_Atom_Count	0
9600409	Defined_Bond_Stereo_Count	1
4952	Total_Formal_Charge	0
197942	Non-hydrogen_Atom_Count	13
68745	TPSA	74.6
16665	Mono_Isotopic_Weight	128.156500638
63959	Tautomer_Count	4
136461	Mono_Isotopic_Weight	66.0469501914
5311309	Exact_Mass	317.19909372
5488579	Total_Formal_Charge	0
44291156	Defined_Atom_Stereo_Count	15
54692950	Tautomer_Count	1000
14643618	Structure_Complexity	91.1
58481202	TPSA	190
11987858	Non-hydrogen_Atom_Count	7
67248272	Hydrogen_Bond_Donor_Count	1
18352108	Isotope_Atom_Count	0
118994155	Defined_Bond_Stereo_Count	0
14078847	Undefined_Bond_Stereo_Count	0
380611	XLogP3-AA	2
144915389	Covalent_Unit_Count	1
3859613	TPSA	78
67519	Mono_Isotopic_Weight	70.027946081
817967	Undefined_Bond_Stereo_Count	0
136219151	Undefined_Bond_Stereo_Count	0
136053758	Undefined_Bond_Stereo_Count	1
14866914	Hydrogen_Bond_Donor_Count	0
13986	Tautomer_Count	1
6409631	Hydrogen_Bond_Donor_Count	8
61103	Tautomer_Count	1
14823	Undefined_Bond_Stereo_Count	0
97758	Exact_Mass	82.041864811
19040543	Mono_Isotopic_Weight	89.084063974
13760528	Total_Formal_Charge	0
6437356	Isotope_Atom_Count	0
69986	Total_Formal_Charge	0
11222822	Rotatable_Bond_Count	4
447508	Undefined_Bond_Stereo_Count	0
129860157	Undefined_Bond_Stereo_Count	0
15273943	Covalent_Unit_Count	1
443951	Covalent_Unit_Count	1
79966	Non-hydrogen_Atom_Count	13
411817	Covalent_Unit_Count	1
148118273	TPSA	0
54484769	Total_Formal_Charge	0
195	Hydrogen_Bond_Donor_Count	7
1979	Defined_Atom_Stereo_Count	0
139158	Isotope_Atom_Count	0
9988	Molecular_Weight	106.10
13032471	Covalent_Unit_Count	1
123816919	Exact_Mass	108.093900383
135409387	Hydrogen_Bond_Donor_Count	1
67191	TPSA	86.7
95005	Defined_Bond_Stereo_Count	0
4451502	Tautomer_Count	3
57396085	Molecular_Weight	414.5
149784	XLogP3	2.6
133611834	Total_Formal_Charge	0
6428	Defined_Atom_Stereo_Count	0
50989756	Defined_Atom_Stereo_Count	0
93154	Isotope_Atom_Count	0
12581088	Exact_Mass	110.084398327
64685	Mono_Isotopic_Weight	154.135765193
149798	Hydrogen_Bond_Acceptor_Count	2
3710788	Total_Formal_Charge	0
11650	TPSA	209
60552	Undefined_Atom_Stereo_Count	1
56603728	Defined_Bond_Stereo_Count	0
21718278	Mono_Isotopic_Weight	111.079647300
27465	Molecular_Weight	322.0
12398272	Total_Formal_Charge	0
5432	Tautomer_Count	6
3000241	Isotope_Atom_Count	0
5362417	Covalent_Unit_Count	1
96701	Covalent_Unit_Count	1
3036824	Structure_Complexity	1740
14116441	Undefined_Atom_Stereo_Count	0
20722796	Hydrogen_Bond_Donor_Count	0
46193082	Total_Formal_Charge	0
1205040	Total_Formal_Charge	0
135391136	Rotatable_Bond_Count	13
56626	Undefined_Bond_Stereo_Count	0
3264839	Total_Formal_Charge	0
138404353	Undefined_Atom_Stereo_Count	0
8424	Covalent_Unit_Count	1
12585787	XLogP3-AA	2.2
9847241	Undefined_Bond_Stereo_Count	0
11971580	Defined_Atom_Stereo_Count	0
867	Hydrogen_Bond_Acceptor_Count	4
627458	Undefined_Atom_Stereo_Count	0
450484	Hydrogen_Bond_Acceptor_Count	6
5281067	Covalent_Unit_Count	2
8340	Mono_Isotopic_Weight	353.12632271
101526739	Exact_Mass	940.42049858
23703990	Isotope_Atom_Count	0
12541465	Isotope_Atom_Count	0
6918314	Mono_Isotopic_Weight	441.21647512
98043898	Structure_Complexity	688
134687950	TPSA	173
6419984	Defined_Atom_Stereo_Count	2
637760	Isotope_Atom_Count	0
135434911	Hydrogen_Bond_Acceptor_Count	5
54757474	XLogP3-AA	4.7
14244	Defined_Bond_Stereo_Count	0
70198	Hydrogen_Bond_Donor_Count	0
444022	Total_Formal_Charge	0
6227	Tautomer_Count	1
3698	TPSA	68
10080510	Isotope_Atom_Count	0
143495144	Non-hydrogen_Atom_Count	8
15945857	Undefined_Bond_Stereo_Count	0
87183060	Undefined_Atom_Stereo_Count	0
17754075	Mono_Isotopic_Weight	115.063328530
7225	Isotope_Atom_Count	0
147707442	Defined_Atom_Stereo_Count	10
21894384	Total_Formal_Charge	0
23236224	Defined_Bond_Stereo_Count	0
6493	Mono_Isotopic_Weight	102.104465066
58095461	Exact_Mass	99.104799419
3110	Hydrogen_Bond_Donor_Count	0
179212	Defined_Atom_Stereo_Count	0
18847	Undefined_Bond_Stereo_Count	0
9465	Defined_Bond_Stereo_Count	0
102681	XLogP3-AA	2.7
3586	Total_Formal_Charge	0
26105	Undefined_Atom_Stereo_Count	1
11396600	Hydrogen_Bond_Donor_Count	2
71541293	Exact_Mass	245.141578849
16211197	Undefined_Bond_Stereo_Count	0
49803313	Non-hydrogen_Atom_Count	40
21648	XLogP3-AA	1.5
62466	Tautomer_Count	2
923638	Structure_Complexity	400
91664	Molecular_Weight	301.13
30541	Isotope_Atom_Count	0
2529	Covalent_Unit_Count	3
99922	Hydrogen_Bond_Donor_Count	1
73343	Covalent_Unit_Count	2
58190643	Defined_Atom_Stereo_Count	0
3450	Mono_Isotopic_Weight	510.46346778
73640	Non-hydrogen_Atom_Count	24
13235324	Undefined_Bond_Stereo_Count	0
3038	Structure_Complexity	452
87310	Exact_Mass	177.04596439
22234	Hydrogen_Bond_Donor_Count	2
21271257	Defined_Atom_Stereo_Count	0
9843089	Isotope_Atom_Count	0
10664930	TPSA	70
76225402	Molecular_Weight	97.12
25201976	Structure_Complexity	217
12889418	Exact_Mass	204.11234441
76852230	Hydrogen_Bond_Donor_Count	3
98306	Rotatable_Bond_Count	2
157641	Structure_Complexity	120
14022497	Mono_Isotopic_Weight	331.17183360
54684589	Undefined_Bond_Stereo_Count	0
17977495	Molecular_Weight	92.03
6918123	Mono_Isotopic_Weight	331.03264982
119096546	Molecular_Weight	116.11
6918289	Defined_Atom_Stereo_Count	15
10430619	Exact_Mass	392.19990218
135476260	Structure_Complexity	932
104865206	Defined_Atom_Stereo_Count	0
36037	Structure_Complexity	294
25008593	Isotope_Atom_Count	0
50009	Undefined_Atom_Stereo_Count	0
9841854	Defined_Bond_Stereo_Count	0
6918331	Hydrogen_Bond_Donor_Count	2
44176376	Total_Formal_Charge	1
40466954	Rotatable_Bond_Count	5
11430	Molecular_Weight	138.205
5842000	Defined_Bond_Stereo_Count	1
91945062	Undefined_Atom_Stereo_Count	3
40475	Molecular_Weight	395.3
39328	Hydrogen_Bond_Donor_Count	1
688691	Non-hydrogen_Atom_Count	12
13000143	XLogP3	2.1
72941442	Isotope_Atom_Count	0
79005	Non-hydrogen_Atom_Count	5
79741	Non-hydrogen_Atom_Count	10
5288769	Structure_Complexity	382
493949	Mono_Isotopic_Weight	201.98883880
11915	Undefined_Atom_Stereo_Count	0
281	Rotatable_Bond_Count	0
404513	Defined_Bond_Stereo_Count	0
84088	Undefined_Atom_Stereo_Count	0
5353422	Rotatable_Bond_Count	8
216269	Total_Formal_Charge	0
6058	Defined_Bond_Stereo_Count	0
14798	Exact_Mass	39.99250893
114750	Isotope_Atom_Count	0
6538897	Molecular_Weight	328.16
13195	Undefined_Bond_Stereo_Count	0
53315139	Hydrogen_Bond_Acceptor_Count	24
11716665	Undefined_Atom_Stereo_Count	0
6917754	Tautomer_Count	1
54676537	Undefined_Atom_Stereo_Count	1
156618074	Undefined_Bond_Stereo_Count	0
13661	Total_Formal_Charge	0
5283740	Structure_Complexity	688
81762	Isotope_Atom_Count	0
683253	Non-hydrogen_Atom_Count	19
18359433	Total_Formal_Charge	0
453359	Hydrogen_Bond_Donor_Count	0
9053	TPSA	74.6
139906410	Covalent_Unit_Count	1
129897177	Covalent_Unit_Count	2
9795291	Mono_Isotopic_Weight	265.09866828
9964081	Molecular_Weight	116.11
53584	Rotatable_Bond_Count	8
65743	Undefined_Bond_Stereo_Count	0
116225458	Exact_Mass	112.088815002
3482	Mono_Isotopic_Weight	193.05863707
62817	Isotope_Atom_Count	0
40496	Structure_Complexity	272
10898648	Mono_Isotopic_Weight	97.052763847
657378	Undefined_Bond_Stereo_Count	0
30664	Structure_Complexity	36.9
42008	Defined_Bond_Stereo_Count	0
49862689	Isotope_Atom_Count	0
7895	Hydrogen_Bond_Donor_Count	0
3086686	Mono_Isotopic_Weight	398.21180428
76084	Defined_Atom_Stereo_Count	0
10750	Hydrogen_Bond_Donor_Count	4
5924208	TPSA	49.3
65015	TPSA	78.7
12478719	TPSA	44
89399997	Defined_Bond_Stereo_Count	0
23690927	Covalent_Unit_Count	2
134160331	Hydrogen_Bond_Donor_Count	2
2136	Isotope_Atom_Count	0
68891	Undefined_Atom_Stereo_Count	0
85753355	Hydrogen_Bond_Acceptor_Count	2
398721	Non-hydrogen_Atom_Count	20
10130120	Hydrogen_Bond_Acceptor_Count	5
140732872	Defined_Bond_Stereo_Count	0
522	Undefined_Atom_Stereo_Count	5
58375	Covalent_Unit_Count	1
87251056	XLogP3-AA	0.3
153127831	Defined_Bond_Stereo_Count	0
4471892	Hydrogen_Bond_Donor_Count	2
70413	Defined_Bond_Stereo_Count	0
54686261	Structure_Complexity	569
23617705	Rotatable_Bond_Count	0
24866867	Covalent_Unit_Count	1
93205	Tautomer_Count	3
72950888	Hydrogen_Bond_Donor_Count	1
9030	Structure_Complexity	65.2
5781	Defined_Bond_Stereo_Count	0
18205	Covalent_Unit_Count	2
22737404	Defined_Atom_Stereo_Count	0
3465817	TPSA	104
158524	Rotatable_Bond_Count	14
31772	Undefined_Atom_Stereo_Count	1
54581776	TPSA	89
17860	Mono_Isotopic_Weight	177.126597491
3068840	Defined_Atom_Stereo_Count	0
12004215	Tautomer_Count	1001
72074	XLogP3-AA	0.4
83287	TPSA	18.5
10329124	Covalent_Unit_Count	1
10197668	Total_Formal_Charge	0
21610771	Hydrogen_Bond_Donor_Count	1
44570851	TPSA	86.5
95270	Total_Formal_Charge	0
87870897	Undefined_Atom_Stereo_Count	0
77611871	Rotatable_Bond_Count	1
13651872	Rotatable_Bond_Count	1
45380936	Structure_Complexity	598
4698	Exact_Mass	361.13477939
76118878	Defined_Bond_Stereo_Count	0
22178808	Isotope_Atom_Count	0
81561	Molecular_Weight	160.21
319701	XLogP3-AA	0.9
91501507	Isotope_Atom_Count	0
86295112	Structure_Complexity	618
85178	Defined_Bond_Stereo_Count	0
15660	Exact_Mass	210.209598838
3356829	Molecular_Weight	118.52
10334852	Non-hydrogen_Atom_Count	20
24203	Tautomer_Count	1
136085	XLogP3-AA	0.3
1437838	Undefined_Bond_Stereo_Count	0
37461	Hydrogen_Bond_Donor_Count	1
85802	Isotope_Atom_Count	0
105	Non-hydrogen_Atom_Count	11
109094	Hydrogen_Bond_Acceptor_Count	3
27428	Rotatable_Bond_Count	1
118701038	Structure_Complexity	481
32069	Covalent_Unit_Count	1
7019277	TPSA	46.5
2569	Molecular_Weight	321.33
19431	TPSA	209
116842112	Molecular_Weight	109.17
34829729	Structure_Complexity	659
7820	Rotatable_Bond_Count	5
535532	Undefined_Bond_Stereo_Count	0
240534	Rotatable_Bond_Count	4
72145	Structure_Complexity	772
67570	Hydrogen_Bond_Acceptor_Count	0
3397	Isotope_Atom_Count	0
30380	Defined_Atom_Stereo_Count	0
156323004	Covalent_Unit_Count	1
443943	Non-hydrogen_Atom_Count	31
2032	Hydrogen_Bond_Donor_Count	2
54325138	Total_Formal_Charge	0
115080007	TPSA	59.2
99050	TPSA	48.1
5283078	Undefined_Bond_Stereo_Count	0
11137094	Undefined_Atom_Stereo_Count	0
3355	Hydrogen_Bond_Acceptor_Count	10
969491	Rotatable_Bond_Count	0
4552223	Undefined_Bond_Stereo_Count	0
154734215	Defined_Bond_Stereo_Count	0
96386	Undefined_Bond_Stereo_Count	0
153835411	XLogP3-AA	1.4
90016	Undefined_Bond_Stereo_Count	0
89103941	Undefined_Bond_Stereo_Count	0
85906	Total_Formal_Charge	0
10291132	Undefined_Atom_Stereo_Count	0
20859	Undefined_Atom_Stereo_Count	0
39534	Mono_Isotopic_Weight	198.125594432
3002120	TPSA	247
9601227	Tautomer_Count	3
4438527	Non-hydrogen_Atom_Count	45
130027214	Rotatable_Bond_Count	0
5281232	TPSA	74.6
4888	Mono_Isotopic_Weight	255.08954328
19017820	Defined_Bond_Stereo_Count	0
139044268	Molecular_Weight	324.4
11773081	Hydrogen_Bond_Acceptor_Count	4
58501	Defined_Atom_Stereo_Count	0
11474	Tautomer_Count	1
85254	Molecular_Weight	107.07
4846	Mono_Isotopic_Weight	308.04332136
820103	XLogP3-AA	4.2
24180719	Non-hydrogen_Atom_Count	27
98017	Total_Formal_Charge	0
49652396	Non-hydrogen_Atom_Count	85
54693768	Defined_Bond_Stereo_Count	0
54331	Covalent_Unit_Count	2
13838	Non-hydrogen_Atom_Count	9
46204403	TPSA	54.4
90894106	Hydrogen_Bond_Donor_Count	3
11548	Total_Formal_Charge	0
81981	Tautomer_Count	1
49440	Molecular_Weight	220.6
4292413	Undefined_Atom_Stereo_Count	0
38200	Mono_Isotopic_Weight	439.745736
6977166	Hydrogen_Bond_Donor_Count	0
65105	TPSA	52.3
70454767	Hydrogen_Bond_Acceptor_Count	2
91617630	Non-hydrogen_Atom_Count	28
12561969	Defined_Atom_Stereo_Count	0
86183	Total_Formal_Charge	0
13808253	Molecular_Weight	100.12
45085104	Defined_Atom_Stereo_Count	0
2734118	Hydrogen_Bond_Acceptor_Count	0
15201044	Rotatable_Bond_Count	0
123332	Total_Formal_Charge	1
23435	Tautomer_Count	1
91884833	Structure_Complexity	688
5320621	TPSA	47.6
5362391	TPSA	71.8
49091	Structure_Complexity	203
24901347	Exact_Mass	463.19296297
5460185	Hydrogen_Bond_Acceptor_Count	5
14782	Total_Formal_Charge	0
11062806	Exact_Mass	168.162648646
11334	Exact_Mass	161.9639201
70713	Tautomer_Count	1
8820	Total_Formal_Charge	0
156614100	Rotatable_Bond_Count	9
17595	Exact_Mass	113.084063974
12315	Exact_Mass	73.089149355
101249755	Non-hydrogen_Atom_Count	25
24884776	Molecular_Weight	442.6
10944	Undefined_Atom_Stereo_Count	1
34676239	Rotatable_Bond_Count	5
54760130	Hydrogen_Bond_Donor_Count	2
520913	Isotope_Atom_Count	0
60478	Molecular_Weight	312.7
129716995	Structure_Complexity	388
50896	Total_Formal_Charge	0
23618707	Undefined_Bond_Stereo_Count	0
54316980	Exact_Mass	99.068413911
2734040	Non-hydrogen_Atom_Count	15
149026	Undefined_Atom_Stereo_Count	0
3029326	Isotope_Atom_Count	0
1486935	Covalent_Unit_Count	1
636367	Isotope_Atom_Count	0
65331	TPSA	475
30856	Undefined_Atom_Stereo_Count	0
119435	XLogP3	3.4
88974	Tautomer_Count	9
8356	Undefined_Atom_Stereo_Count	0
1242	Hydrogen_Bond_Donor_Count	3
56668818	Defined_Bond_Stereo_Count	0
68845	Hydrogen_Bond_Donor_Count	1
3040	Molecular_Weight	469.3
23688976	Non-hydrogen_Atom_Count	14
67947	Rotatable_Bond_Count	1
91370278	Covalent_Unit_Count	1
996610	XLogP3-AA	3.4
111026	Tautomer_Count	1
166473353	Total_Formal_Charge	0
15070	Covalent_Unit_Count	1
139179563	Covalent_Unit_Count	2
130471	Non-hydrogen_Atom_Count	26
6279	Total_Formal_Charge	0
10192563	Tautomer_Count	1
141048867	Isotope_Atom_Count	0
16323	Hydrogen_Bond_Donor_Count	0
15660	Hydrogen_Bond_Acceptor_Count	2
2733352	Exact_Mass	150.0086696
136041721	Molecular_Weight	301.69
90410375	Mono_Isotopic_Weight	645.18147205
12953697	Mono_Isotopic_Weight	85.089149355
66117	Mono_Isotopic_Weight	174.11167570
132278564	Mono_Isotopic_Weight	276.03336507
53870064	Defined_Bond_Stereo_Count	0
11115995	Covalent_Unit_Count	1
48783	XLogP3	1.6
6918454	TPSA	50.4
494937	Hydrogen_Bond_Donor_Count	5
126011	Non-hydrogen_Atom_Count	28
18730068	Hydrogen_Bond_Acceptor_Count	0
13427979	Hydrogen_Bond_Donor_Count	0
90845	Hydrogen_Bond_Acceptor_Count	0
49342	XLogP3-AA	1.2
9828356	Undefined_Bond_Stereo_Count	0
15945857	Defined_Atom_Stereo_Count	0
439196	Isotope_Atom_Count	0
11953895	Exact_Mass	297.948962
542354	Exact_Mass	114.068079557
6918314	Non-hydrogen_Atom_Count	33
31278	Undefined_Atom_Stereo_Count	0
44401138	Mono_Isotopic_Weight	421.16377084
87357201	Structure_Complexity	291
84590	Exact_Mass	98.048012819
21365956	Structure_Complexity	364
2803	Exact_Mass	229.0173527
22843	Defined_Bond_Stereo_Count	0
6999971	Undefined_Bond_Stereo_Count	0
15004699	Defined_Atom_Stereo_Count	0
54511	Defined_Bond_Stereo_Count	0
70949	Tautomer_Count	9
97656	Defined_Bond_Stereo_Count	0
31635	Undefined_Bond_Stereo_Count	0
85557	Total_Formal_Charge	0
11285588	Mono_Isotopic_Weight	731.30002740
170249	Molecular_Weight	152.62
12708563	Hydrogen_Bond_Acceptor_Count	1
91855653	Hydrogen_Bond_Donor_Count	8
56658432	TPSA	89.4
6950353	Undefined_Bond_Stereo_Count	0
16197727	Total_Formal_Charge	0
129514	Tautomer_Count	4
4991	TPSA	33.4
53904133	Defined_Atom_Stereo_Count	0
22594079	Mono_Isotopic_Weight	119.00409958
5460700	Tautomer_Count	1
57692074	Isotope_Atom_Count	0
70240	Isotope_Atom_Count	0
68958	Covalent_Unit_Count	1
563	Isotope_Atom_Count	0
4494	Structure_Complexity	783
5281068	Tautomer_Count	2
75341	XLogP3	2.2
132420	Structure_Complexity	451
135399235	Non-hydrogen_Atom_Count	20
10207	Tautomer_Count	24
5424	Molecular_Weight	172.09
3455	Defined_Atom_Stereo_Count	0
76989	Undefined_Atom_Stereo_Count	0
5287969	Total_Formal_Charge	0
18314545	Undefined_Atom_Stereo_Count	0
7098641	TPSA	150
361733	Total_Formal_Charge	0
26631	Covalent_Unit_Count	1
121892	XLogP3-AA	2.8
71512	Rotatable_Bond_Count	5
4796	Non-hydrogen_Atom_Count	33
67045	Mono_Isotopic_Weight	284.01030715
208916	Structure_Complexity	153
80530	Defined_Bond_Stereo_Count	0
16654980	Molecular_Weight	410.4
115011049	Mono_Isotopic_Weight	112.052429494
132420	Undefined_Bond_Stereo_Count	0
67076419	Covalent_Unit_Count	2
594397	XLogP3-AA	1.6
2733224	Non-hydrogen_Atom_Count	7
54300272	Isotope_Atom_Count	0
86147436	TPSA	29.1
9287	Undefined_Bond_Stereo_Count	0
40361	Structure_Complexity	287
42985	TPSA	132
139742	Mono_Isotopic_Weight	108.068748264
122499	Isotope_Atom_Count	0
23635314	Undefined_Atom_Stereo_Count	0
9903930	XLogP3-AA	2.1
2037	Covalent_Unit_Count	1
6436628	Covalent_Unit_Count	2
34364440	Isotope_Atom_Count	0
4870	Rotatable_Bond_Count	4
46202081	Non-hydrogen_Atom_Count	32
67691	Total_Formal_Charge	0
254656	Defined_Bond_Stereo_Count	0
129806307	Molecular_Weight	113.11
6327116	Mono_Isotopic_Weight	141.01054143
9738	Covalent_Unit_Count	1
9596	Rotatable_Bond_Count	2
9000	Defined_Atom_Stereo_Count	0
95982	Defined_Atom_Stereo_Count	0
44119664	Undefined_Atom_Stereo_Count	0
88548120	Undefined_Atom_Stereo_Count	0
17818	TPSA	46.2
2955894	Exact_Mass	407.20697307
53819405	Exact_Mass	115.063328530
6035169	Rotatable_Bond_Count	2
9806489	Hydrogen_Bond_Acceptor_Count	4
5365811	Defined_Atom_Stereo_Count	0
515443	Undefined_Bond_Stereo_Count	0
24556	Non-hydrogen_Atom_Count	5
450349	Structure_Complexity	31
86811213	Exact_Mass	223.10199966
11698	Covalent_Unit_Count	1
44521023	XLogP3-AA	4.6
164610	Isotope_Atom_Count	0
17460	Rotatable_Bond_Count	7
13465027	Hydrogen_Bond_Acceptor_Count	2
9802545	Hydrogen_Bond_Acceptor_Count	7
72402	Structure_Complexity	775
35056	Hydrogen_Bond_Acceptor_Count	5
439186	Total_Formal_Charge	0
50894	XLogP3	0.9
8593	Isotope_Atom_Count	0
13814319	Structure_Complexity	53.2
58831415	Undefined_Atom_Stereo_Count	4
21487318	Total_Formal_Charge	0
10801933	Exact_Mass	97.089149355
3171	Mono_Isotopic_Weight	213.06372245
54600009	Covalent_Unit_Count	2
18541939	Tautomer_Count	9
57395613	Isotope_Atom_Count	0
135402037	Covalent_Unit_Count	1
839611	Defined_Bond_Stereo_Count	0
4911	Non-hydrogen_Atom_Count	19
92530	Undefined_Atom_Stereo_Count	2
609	Covalent_Unit_Count	1
53944814	Undefined_Bond_Stereo_Count	0
10240769	Rotatable_Bond_Count	3
161111	Exact_Mass	307.21811509
2355	Non-hydrogen_Atom_Count	16
15953353	Rotatable_Bond_Count	11
4676	Isotope_Atom_Count	0
52038	Molecular_Weight	225.31
53910938	XLogP3-AA	3
6440900	Exact_Mass	156.04225873
5383	Structure_Complexity	241
11715	Molecular_Weight	136.98
5359371	Undefined_Atom_Stereo_Count	0
22224184	Hydrogen_Bond_Donor_Count	0
99894	Molecular_Weight	103.12
131876601	Defined_Bond_Stereo_Count	2
4683	Exact_Mass	319.07257305
5364448	Structure_Complexity	53.1
10349	Hydrogen_Bond_Donor_Count	2
10117987	Mono_Isotopic_Weight	503.23933582
59713	Structure_Complexity	384
3015009	Tautomer_Count	1
5280805	Hydrogen_Bond_Donor_Count	10
22386380	Hydrogen_Bond_Donor_Count	1
13033202	TPSA	52
87823	Defined_Bond_Stereo_Count	0
13186	Non-hydrogen_Atom_Count	8
18506426	Rotatable_Bond_Count	3
5706752	Undefined_Atom_Stereo_Count	0
4527	Undefined_Atom_Stereo_Count	4
221511	Total_Formal_Charge	0
17719	Covalent_Unit_Count	1
7064	Hydrogen_Bond_Donor_Count	2
55288363	TPSA	29.1
139211202	Hydrogen_Bond_Acceptor_Count	7
123516214	Covalent_Unit_Count	1
20387220	Hydrogen_Bond_Acceptor_Count	1
21987711	Molecular_Weight	113.16
12230	Undefined_Atom_Stereo_Count	0
12560918	Rotatable_Bond_Count	0
90997839	Exact_Mass	904.44565070
135404289	Defined_Atom_Stereo_Count	0
12240030	Exact_Mass	113.084063974
3073200	Covalent_Unit_Count	1
465069	Rotatable_Bond_Count	8
12500872	Isotope_Atom_Count	0
9554198	Non-hydrogen_Atom_Count	21
9600409	Isotope_Atom_Count	0
410806	Isotope_Atom_Count	0
7470	Covalent_Unit_Count	1
565623	Undefined_Bond_Stereo_Count	0
17149	Molecular_Weight	98.19
45139106	TPSA	153
22096	Defined_Bond_Stereo_Count	0
316542	Rotatable_Bond_Count	3
72728884	Isotope_Atom_Count	0
3995	Structure_Complexity	320
11895	Total_Formal_Charge	0
5376733	Mono_Isotopic_Weight	232.125200510
9826358	Exact_Mass	478.20029610
12075598	Exact_Mass	208.05177804
57400138	Undefined_Bond_Stereo_Count	0
65677	Hydrogen_Bond_Acceptor_Count	3
46964	Non-hydrogen_Atom_Count	16
61140	Undefined_Bond_Stereo_Count	0
52654	Mono_Isotopic_Weight	252.220163521
65275	Non-hydrogen_Atom_Count	12
87293	Molecular_Weight	193.24
2465	Tautomer_Count	1
2723715	Covalent_Unit_Count	3
46203882	Rotatable_Bond_Count	1
535857	Mono_Isotopic_Weight	110.048012819
446127	Mono_Isotopic_Weight	152.083729621
118210808	Exact_Mass	114.068079557
11270783	Defined_Bond_Stereo_Count	0
5283155	TPSA	57.5
505	Isotope_Atom_Count	0
11521169	Rotatable_Bond_Count	1
259992	Isotope_Atom_Count	0
14200855	Defined_Bond_Stereo_Count	0
14381189	Defined_Bond_Stereo_Count	0
23054502	Defined_Atom_Stereo_Count	0
14535399	Mono_Isotopic_Weight	106.9899821
123791702	Non-hydrogen_Atom_Count	7
4421	Hydrogen_Bond_Donor_Count	1
144369145	Hydrogen_Bond_Acceptor_Count	2
263608	Hydrogen_Bond_Donor_Count	1
11538455	Structure_Complexity	533
71449989	Defined_Bond_Stereo_Count	0
599239	Non-hydrogen_Atom_Count	18
16738703	Molecular_Weight	118.09
85988	Hydrogen_Bond_Acceptor_Count	5
83656	Molecular_Weight	310.5
98265	Structure_Complexity	71.1
442436	Rotatable_Bond_Count	11
1807	Defined_Atom_Stereo_Count	0
8987	Isotope_Atom_Count	0
446094	TPSA	42.5
5281066	Molecular_Weight	522.5
1139	Exact_Mass	322.05660244
82763	Undefined_Atom_Stereo_Count	0
519559	Isotope_Atom_Count	0
915014	Defined_Bond_Stereo_Count	0
9844225	Mono_Isotopic_Weight	405.1343006
8655	Isotope_Atom_Count	0
5353355	Undefined_Bond_Stereo_Count	0
667639	Non-hydrogen_Atom_Count	18
22419332	Structure_Complexity	137
29356	Structure_Complexity	161
57392965	Covalent_Unit_Count	1
564664	Molecular_Weight	108.18
2405	Non-hydrogen_Atom_Count	23
53320444	Undefined_Bond_Stereo_Count	0
637927	Defined_Bond_Stereo_Count	1
23365036	Covalent_Unit_Count	1
168256	Non-hydrogen_Atom_Count	31
117822	Undefined_Atom_Stereo_Count	0
9794126	Defined_Bond_Stereo_Count	0
47552	XLogP3	0.5
44392114	Covalent_Unit_Count	1
45259043	Mono_Isotopic_Weight	544.36584195
138319688	Undefined_Bond_Stereo_Count	0
45270539	Undefined_Bond_Stereo_Count	0
10964421	Undefined_Atom_Stereo_Count	0
81618	Hydrogen_Bond_Acceptor_Count	3
70240	Undefined_Bond_Stereo_Count	0
3037233	Non-hydrogen_Atom_Count	32
60196307	Exact_Mass	482.14871294
4471892	Non-hydrogen_Atom_Count	4
14989494	Covalent_Unit_Count	1
8480	Hydrogen_Bond_Acceptor_Count	4
50914184	TPSA	30.7
535856	Hydrogen_Bond_Acceptor_Count	2
64048	TPSA	58.2
11867	Total_Formal_Charge	0
24636	Defined_Bond_Stereo_Count	0
58463204	Isotope_Atom_Count	0
12543	Undefined_Bond_Stereo_Count	0
253	Hydrogen_Bond_Donor_Count	3
8282	Molecular_Weight	119.16
21390696	Mono_Isotopic_Weight	94.016712692
23293193	Defined_Atom_Stereo_Count	0
117295	Defined_Atom_Stereo_Count	0
9865515	XLogP3-AA	2.8
66532	Covalent_Unit_Count	1
12029691	Undefined_Atom_Stereo_Count	0
7483	Defined_Atom_Stereo_Count	0
5280707	Defined_Bond_Stereo_Count	1
8083388	Total_Formal_Charge	0
444294	Undefined_Atom_Stereo_Count	0
15413224	Hydrogen_Bond_Donor_Count	3
71208	Non-hydrogen_Atom_Count	12
628397	Non-hydrogen_Atom_Count	21
12344797	Hydrogen_Bond_Acceptor_Count	2
3995	Exact_Mass	310.1059754
102102472	Total_Formal_Charge	0
66704605	Defined_Bond_Stereo_Count	0
10658	Covalent_Unit_Count	1
471	Molecular_Weight	304.25
123554527	XLogP3-AA	1
56841862	Exact_Mass	375.1612642
82161	TPSA	66.8
14930278	Exact_Mass	431.07575
705645	Hydrogen_Bond_Donor_Count	1
12531954	Mono_Isotopic_Weight	112.063662883
26091	Tautomer_Count	1
12305763	Hydrogen_Bond_Acceptor_Count	9
65706	Hydrogen_Bond_Donor_Count	1
681110	Isotope_Atom_Count	0
6432517	Exact_Mass	304.240230259
161829	XLogP3	7.7
5078130	Defined_Atom_Stereo_Count	0
2787	Hydrogen_Bond_Donor_Count	2
5282138	Non-hydrogen_Atom_Count	36
13245702	Hydrogen_Bond_Acceptor_Count	0
73755067	Defined_Atom_Stereo_Count	5
7196	Tautomer_Count	1
47909	Defined_Atom_Stereo_Count	0
21669	Rotatable_Bond_Count	3
22056720	Hydrogen_Bond_Acceptor_Count	1
4640	Defined_Atom_Stereo_Count	0
91272	Undefined_Bond_Stereo_Count	0
12623598	Defined_Bond_Stereo_Count	0
147895	Defined_Atom_Stereo_Count	11
76968809	TPSA	130
44445686	Molecular_Weight	416.6
5388962	Defined_Bond_Stereo_Count	0
86088629	Hydrogen_Bond_Donor_Count	0
486	Mono_Isotopic_Weight	184.06435410
14545018	Defined_Bond_Stereo_Count	0
27024	Tautomer_Count	1
76579279	Defined_Bond_Stereo_Count	0
143399	XLogP3-AA	3
139060830	Mono_Isotopic_Weight	269.116426730
49789564	Defined_Atom_Stereo_Count	0
90125683	Hydrogen_Bond_Donor_Count	0
154108049	Defined_Atom_Stereo_Count	0
11319053	Tautomer_Count	12
5360696	Defined_Atom_Stereo_Count	3
3041260	Molecular_Weight	350.5
10285778	Rotatable_Bond_Count	2
737	Hydrogen_Bond_Donor_Count	7
70163	Rotatable_Bond_Count	2
129693502	Non-hydrogen_Atom_Count	29
2146	Mono_Isotopic_Weight	74.059246208
45875	Defined_Bond_Stereo_Count	0
11407637	Hydrogen_Bond_Donor_Count	1
5743835	Non-hydrogen_Atom_Count	19
54393203	Total_Formal_Charge	0
3400	XLogP3	3
9984487	Hydrogen_Bond_Acceptor_Count	8
160765	Mono_Isotopic_Weight	120.02450067
151449	Rotatable_Bond_Count	0
8168	Exact_Mass	213.245649993
12747	Undefined_Bond_Stereo_Count	0
5288672	Molecular_Weight	359.8
10255142	Undefined_Atom_Stereo_Count	0
6032	Rotatable_Bond_Count	6
3959	Hydrogen_Bond_Acceptor_Count	4
61185	Undefined_Atom_Stereo_Count	0
6695	Mono_Isotopic_Weight	443.23346786
14081616	Covalent_Unit_Count	1
9743	Defined_Atom_Stereo_Count	0
40585	Undefined_Bond_Stereo_Count	0
12602	Structure_Complexity	280
135423792	Isotope_Atom_Count	0
44134949	Isotope_Atom_Count	0
106831	Defined_Bond_Stereo_Count	0
185460	Hydrogen_Bond_Acceptor_Count	5
688930	Exact_Mass	286.0396719
556722	Defined_Atom_Stereo_Count	0
80108693	Hydrogen_Bond_Acceptor_Count	2
9973799	Isotope_Atom_Count	0
637939	Hydrogen_Bond_Acceptor_Count	1
5017	Isotope_Atom_Count	0
454	TPSA	17.1
24892775	Non-hydrogen_Atom_Count	34
147707445	Covalent_Unit_Count	1
134497	Structure_Complexity	179
60196328	Total_Formal_Charge	0
5281616	Isotope_Atom_Count	0
9287	Rotatable_Bond_Count	2
3971	XLogP3-AA	2.8
21162824	Hydrogen_Bond_Acceptor_Count	2
53320169	Non-hydrogen_Atom_Count	31
51049968	Hydrogen_Bond_Donor_Count	2
58044734	Covalent_Unit_Count	1
5324169	Covalent_Unit_Count	1
322148	Rotatable_Bond_Count	1
15561851	TPSA	23.8
11430856	Undefined_Atom_Stereo_Count	0
164116	Molecular_Weight	252.27
18503	Structure_Complexity	309
145627882	Defined_Bond_Stereo_Count	0
57286318	Hydrogen_Bond_Donor_Count	0
11505	Hydrogen_Bond_Acceptor_Count	1
57400229	Isotope_Atom_Count	0
8282	Exact_Mass	119.094628657
439517	TPSA	125
54605723	Rotatable_Bond_Count	4
53562	Structure_Complexity	343
54675830	Hydrogen_Bond_Acceptor_Count	3
6914282	Structure_Complexity	798
545831	Undefined_Atom_Stereo_Count	1
25138298	Hydrogen_Bond_Donor_Count	18
91434	Isotope_Atom_Count	0
56965681	Defined_Atom_Stereo_Count	0
42608159	XLogP3-AA	4.5
14445624	Total_Formal_Charge	0
2346	Molecular_Weight	149.21
343119	Isotope_Atom_Count	0
82343	Hydrogen_Bond_Acceptor_Count	1
102503853	Undefined_Atom_Stereo_Count	0
6022	Defined_Atom_Stereo_Count	4
188966	Defined_Bond_Stereo_Count	0
65817	Molecular_Weight	228.33
14743	Exact_Mass	420.26644501
36023	Defined_Atom_Stereo_Count	0
6266	Defined_Atom_Stereo_Count	0
3057	Non-hydrogen_Atom_Count	34
15202944	Molecular_Weight	73.09
156595906	Defined_Atom_Stereo_Count	12
523251	Non-hydrogen_Atom_Count	8
6379	Structure_Complexity	19.1
21868057	Molecular_Weight	96.17
8467	Undefined_Atom_Stereo_Count	0
73442840	Isotope_Atom_Count	6
96299	Defined_Bond_Stereo_Count	0
548353	Total_Formal_Charge	0
475825	Structure_Complexity	816
14852454	TPSA	38
135515430	Hydrogen_Bond_Donor_Count	1
64017	Hydrogen_Bond_Acceptor_Count	6
13639659	Defined_Bond_Stereo_Count	0
45934310	Hydrogen_Bond_Donor_Count	5
56675695	Structure_Complexity	556
74229	Total_Formal_Charge	0
976	Undefined_Bond_Stereo_Count	0
12705073	Structure_Complexity	116
448043	Isotope_Atom_Count	0
15439201	Molecular_Weight	109.13
25200541	Hydrogen_Bond_Acceptor_Count	8
131704232	Undefined_Atom_Stereo_Count	1
297691	Mono_Isotopic_Weight	335.9778561
11986122	Molecular_Weight	230.04
18992283	Total_Formal_Charge	0
600	Molecular_Weight	258.12
9601349	Isotope_Atom_Count	0
12971800	Molecular_Weight	598.6
227456	Non-hydrogen_Atom_Count	42
3000226	Isotope_Atom_Count	0
87155	Undefined_Bond_Stereo_Count	1
657289	Hydrogen_Bond_Acceptor_Count	16
72200673	Undefined_Bond_Stereo_Count	0
117828099	Isotope_Atom_Count	0
47104	Total_Formal_Charge	0
20056755	Exact_Mass	342.11621151
136649153	Hydrogen_Bond_Acceptor_Count	3
688938	Hydrogen_Bond_Donor_Count	0
23675341	Covalent_Unit_Count	2
5281609	Hydrogen_Bond_Acceptor_Count	10
44564	Molecular_Weight	311.63
56845689	Undefined_Atom_Stereo_Count	1
70700	Undefined_Atom_Stereo_Count	0
22450283	Isotope_Atom_Count	0
53316393	Mono_Isotopic_Weight	344.11723519
94175	Molecular_Weight	324.4
5464200	Rotatable_Bond_Count	9
164667083	Defined_Atom_Stereo_Count	2
73075931	Molecular_Weight	378.4
24314	Exact_Mass	130.099379685
491122	Defined_Bond_Stereo_Count	0
80297114	Rotatable_Bond_Count	1
4346	Defined_Bond_Stereo_Count	0
86646597	Mono_Isotopic_Weight	281.05442107
413518	Exact_Mass	212.0716407
102233553	Covalent_Unit_Count	1
11761584	Covalent_Unit_Count	1
6436059	Covalent_Unit_Count	1
161664	Defined_Atom_Stereo_Count	0
439811	Hydrogen_Bond_Donor_Count	3
21666609	Total_Formal_Charge	0
17964403	Defined_Atom_Stereo_Count	0
10695961	Defined_Atom_Stereo_Count	2
5249080	Hydrogen_Bond_Donor_Count	0
28936	Molecular_Weight	428.1
70685868	Defined_Bond_Stereo_Count	0
199614	Structure_Complexity	387
156619446	Mono_Isotopic_Weight	1703.6894156
11647679	Defined_Atom_Stereo_Count	0
16659836	Undefined_Bond_Stereo_Count	0
13	Mono_Isotopic_Weight	179.930033
10898645	Exact_Mass	94.053098200
3073763	Non-hydrogen_Atom_Count	14
51030053	Covalent_Unit_Count	1
6538897	Isotope_Atom_Count	0
5372174	Covalent_Unit_Count	1
66254	Molecular_Weight	192.07
153238571	Molecular_Weight	180.16
53313171	Hydrogen_Bond_Donor_Count	1
10101	Tautomer_Count	6
68976065	TPSA	12
318158	Exact_Mass	112.052429494
22612	XLogP3-AA	1
87106789	Undefined_Bond_Stereo_Count	0
71577	Total_Formal_Charge	0
27278	TPSA	24.4
141886129	Isotope_Atom_Count	0
519103	Defined_Atom_Stereo_Count	0
142965989	XLogP3-AA	5.1
8667	Hydrogen_Bond_Donor_Count	1
11074101	Undefined_Atom_Stereo_Count	0
6440178	Rotatable_Bond_Count	4
53245646	Mono_Isotopic_Weight	453.20524173
133952	Undefined_Atom_Stereo_Count	2
11957515	TPSA	23.5
20472522	Undefined_Atom_Stereo_Count	2
6028	Mono_Isotopic_Weight	229.885975
96600	Covalent_Unit_Count	1
4713215	Covalent_Unit_Count	1
99271	Covalent_Unit_Count	1
3336	Covalent_Unit_Count	1
65940	Molecular_Weight	341.4
71517697	Molecular_Weight	457.5
5282768	TPSA	37.3
5717801	Molecular_Weight	479.8
182176	Isotope_Atom_Count	0
14917	Undefined_Bond_Stereo_Count	0
398578	Exact_Mass	343.1582033
5361463	Molecular_Weight	429.1
20975302	Rotatable_Bond_Count	1
642	Hydrogen_Bond_Donor_Count	9
11018827	Undefined_Bond_Stereo_Count	0
135399235	Hydrogen_Bond_Donor_Count	2
13483371	Undefined_Atom_Stereo_Count	0
5282485	Structure_Complexity	460
6430518	Undefined_Bond_Stereo_Count	0
90488914	Defined_Bond_Stereo_Count	0
429734	Rotatable_Bond_Count	5
45857	Defined_Atom_Stereo_Count	0
49866692	Mono_Isotopic_Weight	293.1294900
9904746	Non-hydrogen_Atom_Count	19
53825857	XLogP3-AA	1
6331075	Structure_Complexity	508
131750204	Non-hydrogen_Atom_Count	39
251636	Isotope_Atom_Count	0
21430317	TPSA	0
58173	Tautomer_Count	13
62347	Mono_Isotopic_Weight	142.04907545
55291103	Mono_Isotopic_Weight	114.042927438
82141	Tautomer_Count	1
3002003	Non-hydrogen_Atom_Count	24
2724883	Mono_Isotopic_Weight	215.094628657
55285816	Rotatable_Bond_Count	1
7428	Mono_Isotopic_Weight	184.03717335
62705861	Non-hydrogen_Atom_Count	35
1050	Covalent_Unit_Count	1
14437479	Undefined_Atom_Stereo_Count	0
54587659	Hydrogen_Bond_Acceptor_Count	5
19284	XLogP3	8
4019	Non-hydrogen_Atom_Count	27
12723433	Structure_Complexity	78.6
6429274	Defined_Bond_Stereo_Count	1
112711232	Undefined_Atom_Stereo_Count	0
33344	Molecular_Weight	149.60
74764146	Undefined_Bond_Stereo_Count	0
10942665	TPSA	43.4
4468	XLogP3-AA	0.8
19918	Exact_Mass	218.105527694
969212	Defined_Atom_Stereo_Count	2
118990144	XLogP3-AA	0.4
71752170	Undefined_Atom_Stereo_Count	0
6537490	Hydrogen_Bond_Acceptor_Count	4
21777	Total_Formal_Charge	0
20205172	Exact_Mass	118.099379685
3036931	Total_Formal_Charge	0
9430	Mono_Isotopic_Weight	226.146998583
11105318	Hydrogen_Bond_Acceptor_Count	1
444025	Undefined_Atom_Stereo_Count	0
12543	Rotatable_Bond_Count	2
17963196	Total_Formal_Charge	0
446080	Isotope_Atom_Count	0
459971	Defined_Bond_Stereo_Count	0
439282	Covalent_Unit_Count	1
5284376	Mono_Isotopic_Weight	269.0407907
126456023	Hydrogen_Bond_Donor_Count	3
2807	Hydrogen_Bond_Acceptor_Count	6
99295	Covalent_Unit_Count	1
23950	Mono_Isotopic_Weight	101.904340
57394197	Defined_Bond_Stereo_Count	0
58512812	Rotatable_Bond_Count	0
6323336	Undefined_Atom_Stereo_Count	0
3985	Rotatable_Bond_Count	26
11181836	Covalent_Unit_Count	2
6437842	Hydrogen_Bond_Donor_Count	1
54526114	Structure_Complexity	92.7
129760006	Defined_Atom_Stereo_Count	0
13496871	XLogP3-AA	0.7
12534276	Defined_Bond_Stereo_Count	0
16987	Defined_Atom_Stereo_Count	0
11954316	Undefined_Bond_Stereo_Count	0
83899	Tautomer_Count	1
472181	Undefined_Atom_Stereo_Count	0
5484727	Covalent_Unit_Count	1
21493122	Covalent_Unit_Count	1
173730	Molecular_Weight	115.05
55939	Undefined_Bond_Stereo_Count	0
135887831	Structure_Complexity	1220
59398673	Mono_Isotopic_Weight	96.021129366
78553	Mono_Isotopic_Weight	215.96083
5484735	Exact_Mass	523.02901142
91716	Exact_Mass	298.07759887
85694	Defined_Atom_Stereo_Count	0
72886	Structure_Complexity	214
7098680	TPSA	61.9
45039617	Exact_Mass	709.2706908
7694	Defined_Atom_Stereo_Count	0
90930062	TPSA	55.4
92253	Structure_Complexity	321
719704	Rotatable_Bond_Count	4
66002	Covalent_Unit_Count	1
165685	Hydrogen_Bond_Acceptor_Count	5
14959372	Exact_Mass	215.094628657
117891679	Structure_Complexity	133
854	Exact_Mass	150.05282342
143817762	Exact_Mass	107.073499291
55284178	Exact_Mass	114.042927438
123203551	Non-hydrogen_Atom_Count	8
121250	Rotatable_Bond_Count	2
10451635	XLogP3-AA	3.7
15118	Rotatable_Bond_Count	0
4246	Rotatable_Bond_Count	0
12264	Undefined_Atom_Stereo_Count	0
61129	XLogP3-AA	4.3
14273	Non-hydrogen_Atom_Count	8
44521023	Defined_Bond_Stereo_Count	0
16732168	Structure_Complexity	774
3095	Undefined_Bond_Stereo_Count	0
71322980	Exact_Mass	116.083729621
154101	Hydrogen_Bond_Acceptor_Count	3
52987927	Defined_Bond_Stereo_Count	0
133568445	Isotope_Atom_Count	0
108046	Covalent_Unit_Count	1
66774	Hydrogen_Bond_Acceptor_Count	3
64423	Structure_Complexity	365
22382373	Defined_Atom_Stereo_Count	0
21655019	Undefined_Bond_Stereo_Count	0
121249	Tautomer_Count	6
23488	Structure_Complexity	213
56626368	Rotatable_Bond_Count	2
20266	Undefined_Bond_Stereo_Count	0
12987	TPSA	0
84002	Structure_Complexity	335
441277	Molecular_Weight	321.9
21080	Rotatable_Bond_Count	4
31018	Non-hydrogen_Atom_Count	8
85307823	Total_Formal_Charge	0
20256	Defined_Bond_Stereo_Count	0
69627204	Hydrogen_Bond_Donor_Count	0
51432351	Structure_Complexity	609
69839	TPSA	9.2
122197250	Exact_Mass	447.26929854
40100	Hydrogen_Bond_Donor_Count	1
8062	Covalent_Unit_Count	1
89356917	Covalent_Unit_Count	1
22323244	XLogP3-AA	1.7
105426930	Rotatable_Bond_Count	0
131852189	Structure_Complexity	303
54776248	Undefined_Atom_Stereo_Count	0
36354	TPSA	27.6
72926	Isotope_Atom_Count	0
22086042	Total_Formal_Charge	0
97414	Molecular_Weight	227.29
5415	Hydrogen_Bond_Donor_Count	7
107977	Undefined_Atom_Stereo_Count	1
274075	Covalent_Unit_Count	1
87919798	XLogP3-AA	0.3
653817	Isotope_Atom_Count	0
141761	Structure_Complexity	68.4
22339897	Exact_Mass	825.35717005
10177	XLogP3-AA	2.7
5284380	Defined_Atom_Stereo_Count	4
17895808	Non-hydrogen_Atom_Count	7
16722125	Rotatable_Bond_Count	7
409347	Rotatable_Bond_Count	7
115739	Hydrogen_Bond_Acceptor_Count	3
101925	Hydrogen_Bond_Donor_Count	2
219224	Rotatable_Bond_Count	3
10985889	Hydrogen_Bond_Acceptor_Count	0
6337614	Non-hydrogen_Atom_Count	22
59177	Isotope_Atom_Count	0
135474265	Tautomer_Count	3
62816	Mono_Isotopic_Weight	281.1982382
71482479	Mono_Isotopic_Weight	146.06914219
5288382	Defined_Atom_Stereo_Count	6
4453511	Exact_Mass	301.9973455
519642	Exact_Mass	110.01902136
54601825	Structure_Complexity	1410
15287162	Defined_Atom_Stereo_Count	3
148431	TPSA	24.4
10341154	Undefined_Atom_Stereo_Count	0
65388	Mono_Isotopic_Weight	171.08820061
15431	XLogP3-AA	3.5
16351	Covalent_Unit_Count	1
21058	Defined_Bond_Stereo_Count	0
15133	Hydrogen_Bond_Donor_Count	2
131954786	Exact_Mass	3356.8220541
3063289	Undefined_Bond_Stereo_Count	0
22269415	Defined_Atom_Stereo_Count	0
31386	XLogP3	2.4
446845	Hydrogen_Bond_Donor_Count	1
9212	Total_Formal_Charge	0
60060441	Mono_Isotopic_Weight	72.00721064
53486702	Rotatable_Bond_Count	6
3776	Hydrogen_Bond_Donor_Count	1
152780129	XLogP3-AA	1.1
132777208	Mono_Isotopic_Weight	342.11621151
5148195	Mono_Isotopic_Weight	169.110278721
4226	Covalent_Unit_Count	1
77749	Mono_Isotopic_Weight	113.047678466
74823	Structure_Complexity	241
7159	Mono_Isotopic_Weight	235.95366166
135484176	Rotatable_Bond_Count	17
10034060	Isotope_Atom_Count	0
59296114	Exact_Mass	480.1131242
41257	Tautomer_Count	1
78973	Total_Formal_Charge	0
11146968	Molecular_Weight	719.0
24986999	Non-hydrogen_Atom_Count	68
42768	Exact_Mass	520.22725974
87322	Isotope_Atom_Count	0
64232	Defined_Bond_Stereo_Count	0
9870652	XLogP3-AA	3.5
76449347	Hydrogen_Bond_Donor_Count	3
3857	Hydrogen_Bond_Donor_Count	4
8051	Covalent_Unit_Count	1
587311	Isotope_Atom_Count	0
44309990	Undefined_Atom_Stereo_Count	0
4391	Mono_Isotopic_Weight	260.08307817
11105340	Undefined_Bond_Stereo_Count	0
3623	Exact_Mass	275.15214353
134692352	Exact_Mass	453.22637110
3782034	Defined_Bond_Stereo_Count	0
54687131	Mono_Isotopic_Weight	602.25879342
5281517	Exact_Mass	204.187800766
142647132	Mono_Isotopic_Weight	115.063328530
33630	Non-hydrogen_Atom_Count	36
188966	Total_Formal_Charge	0
10291132	Hydrogen_Bond_Acceptor_Count	11
56840987	Exact_Mass	660.35096247
131954444	Defined_Bond_Stereo_Count	1
16131097	Isotope_Atom_Count	0
89578803	TPSA	9.2
38102	Undefined_Bond_Stereo_Count	0
9690	Undefined_Bond_Stereo_Count	0
6235	Undefined_Bond_Stereo_Count	0
314	Structure_Complexity	531
49792792	Structure_Complexity	415
11868	Undefined_Atom_Stereo_Count	0
91590871	Defined_Bond_Stereo_Count	0
135738851	TPSA	231
11392	Covalent_Unit_Count	1
10131842	Undefined_Atom_Stereo_Count	0
14761567	Hydrogen_Bond_Acceptor_Count	4
21027022	Defined_Bond_Stereo_Count	0
54368096	Molecular_Weight	100.16
126961335	Defined_Atom_Stereo_Count	1
68648	Undefined_Bond_Stereo_Count	0
439260	Exact_Mass	169.07389321
483765	Structure_Complexity	479
65562	Undefined_Atom_Stereo_Count	0
102148036	Hydrogen_Bond_Donor_Count	2
60196431	Defined_Atom_Stereo_Count	0
73902	Exact_Mass	284.1080262
121285115	Exact_Mass	284.16237386
21884	Total_Formal_Charge	0
65910	Tautomer_Count	1
40703	Non-hydrogen_Atom_Count	33
18720270	Molecular_Weight	115.13
37140	Defined_Atom_Stereo_Count	0
11633344	Molecular_Weight	429.6
117859259	Total_Formal_Charge	0
57397462	Exact_Mass	388.0648413
20426877	Undefined_Atom_Stereo_Count	2
19757680	Hydrogen_Bond_Donor_Count	2
104781	Hydrogen_Bond_Acceptor_Count	4
969108	Mono_Isotopic_Weight	301.17902698
131398469	Mono_Isotopic_Weight	111.068413911
115089	Total_Formal_Charge	0
11554076	XLogP3-AA	2.4
14626842	Hydrogen_Bond_Donor_Count	2
2768	Defined_Bond_Stereo_Count	0
3913	Defined_Atom_Stereo_Count	0
104870	Mono_Isotopic_Weight	281.0520241
600269	Undefined_Atom_Stereo_Count	0
129778798	Non-hydrogen_Atom_Count	8
533519	Undefined_Atom_Stereo_Count	1
91021644	Hydrogen_Bond_Acceptor_Count	1
57403815	Exact_Mass	539.22426310
20515773	TPSA	46.3
6604334	Mono_Isotopic_Weight	842.51400504
36688490	Covalent_Unit_Count	1
6509979	Isotope_Atom_Count	0
37632	TPSA	46.3
23665728	Defined_Atom_Stereo_Count	0
12349471	XLogP3-AA	0.8
21563	TPSA	32.5
5462	Rotatable_Bond_Count	7
18726556	Total_Formal_Charge	0
12521030	Exact_Mass	223.98509127
22021903	TPSA	38.7
10429215	Defined_Bond_Stereo_Count	0
553	Isotope_Atom_Count	0
442965	Tautomer_Count	1
4646	Non-hydrogen_Atom_Count	17
54487968	Non-hydrogen_Atom_Count	8
102538	Undefined_Atom_Stereo_Count	1
158726884	TPSA	17.8
6437071	Total_Formal_Charge	0
19962876	Undefined_Atom_Stereo_Count	0
7891	Undefined_Atom_Stereo_Count	0
162651	Non-hydrogen_Atom_Count	3
135270107	Non-hydrogen_Atom_Count	8
79036	Mono_Isotopic_Weight	150.104465066
65125	TPSA	84.7
12309519	Mono_Isotopic_Weight	324.183778013
5611	TPSA	66.4
6708733	Structure_Complexity	1050
61953	XLogP3-AA	3
6453	Covalent_Unit_Count	1
76485	Undefined_Bond_Stereo_Count	0
4927	Exact_Mass	284.13471982
160606	XLogP3-AA	7.2
5329103	Molecular_Weight	414.9
153448834	Covalent_Unit_Count	1
57394708	Molecular_Weight	459.5
36119	Covalent_Unit_Count	1
70697507	Total_Formal_Charge	0
41432	Molecular_Weight	172.19
131162679	Undefined_Atom_Stereo_Count	2
62553	Total_Formal_Charge	0
135424747	Covalent_Unit_Count	1
10695575	Exact_Mass	467.25727730
4038	Total_Formal_Charge	0
11970126	Total_Formal_Charge	0
95934	Total_Formal_Charge	0
13709	Non-hydrogen_Atom_Count	16
7385	Undefined_Bond_Stereo_Count	0
46907953	TPSA	49.3
441328	Defined_Atom_Stereo_Count	2
56963	Defined_Atom_Stereo_Count	0
42609791	Rotatable_Bond_Count	13
26250	Undefined_Atom_Stereo_Count	0
9980241	Isotope_Atom_Count	0
5284534	Defined_Atom_Stereo_Count	17
23723027	Hydrogen_Bond_Donor_Count	0
31265	Structure_Complexity	89.3
71448984	Structure_Complexity	61.1
2695	Hydrogen_Bond_Acceptor_Count	7
65531	Molecular_Weight	133.15
2576591	Total_Formal_Charge	0
826477	Mono_Isotopic_Weight	334.1003540
133520	Rotatable_Bond_Count	1
55288167	Structure_Complexity	74.1
39379	Covalent_Unit_Count	2
4724	Molecular_Weight	291.4
11460	Covalent_Unit_Count	1
97724	Molecular_Weight	154.21
6419708	Molecular_Weight	300.4
9821690	Defined_Bond_Stereo_Count	0
123979	Molecular_Weight	240.25
102533943	Hydrogen_Bond_Donor_Count	2
96412	Non-hydrogen_Atom_Count	6
11571792	Hydrogen_Bond_Donor_Count	1
10986146	Structure_Complexity	2
33094	Molecular_Weight	150.17
135332658	Structure_Complexity	134
5281104	Total_Formal_Charge	0
6537495	TPSA	82.3
12225167	Defined_Bond_Stereo_Count	0
107838	Rotatable_Bond_Count	0
821645	Exact_Mass	238.01222190
12220383	Exact_Mass	111.068413911
73182	Tautomer_Count	1
24891700	Exact_Mass	427.20082506
18612333	Isotope_Atom_Count	0
3032771	Hydrogen_Bond_Donor_Count	3
21331354	Mono_Isotopic_Weight	115.063328530
72171	Undefined_Bond_Stereo_Count	0
150736	Molecular_Weight	204.18
667	Rotatable_Bond_Count	20
9883029	Defined_Bond_Stereo_Count	0
30544	Isotope_Atom_Count	0
163829	Tautomer_Count	1001
14236	Covalent_Unit_Count	1
42928	Molecular_Weight	237.64
5573	Defined_Atom_Stereo_Count	0
347477	Covalent_Unit_Count	1
44557554	Hydrogen_Bond_Donor_Count	2
73619	Non-hydrogen_Atom_Count	47
32142	Tautomer_Count	1
8417	TPSA	44.8
17719	TPSA	58.9
19938783	Defined_Bond_Stereo_Count	0
15209693	Undefined_Atom_Stereo_Count	0
77449069	Undefined_Atom_Stereo_Count	1
10027822	Exact_Mass	473.18383758
12512794	Molecular_Weight	94.15
5771	TPSA	450
44603531	Defined_Bond_Stereo_Count	0
304035	Tautomer_Count	1
4096517	Rotatable_Bond_Count	3
10450027	Hydrogen_Bond_Donor_Count	8
23294	Structure_Complexity	53.6
59252	Undefined_Bond_Stereo_Count	0
13939	Structure_Complexity	87
12271363	Defined_Atom_Stereo_Count	0
107807	Hydrogen_Bond_Donor_Count	2
25142043	Isotope_Atom_Count	0
20665999	Covalent_Unit_Count	1
123872156	Undefined_Atom_Stereo_Count	3
71729958	Undefined_Atom_Stereo_Count	0
23663624	Undefined_Bond_Stereo_Count	0
428	Hydrogen_Bond_Acceptor_Count	2
2808988	Exact_Mass	311.12699141
151476	Defined_Bond_Stereo_Count	0
10866290	Exact_Mass	111.104799419
7767	Undefined_Atom_Stereo_Count	0
337218	Molecular_Weight	382.4
3844264	XLogP3-AA	2.1
2713	Hydrogen_Bond_Acceptor_Count	2
448718	Hydrogen_Bond_Acceptor_Count	8
12747521	Exact_Mass	107.048347172
57394211	Rotatable_Bond_Count	9
123555270	Covalent_Unit_Count	1
57458936	Defined_Bond_Stereo_Count	0
53422654	Total_Formal_Charge	0
32209	Structure_Complexity	392
11758093	Structure_Complexity	969
11396600	Isotope_Atom_Count	0
47499	Exact_Mass	520.10124741
11078	Exact_Mass	330.1710204
121207368	Rotatable_Bond_Count	0
86439	Mono_Isotopic_Weight	433.0539994
15013749	Isotope_Atom_Count	0
11306073	Hydrogen_Bond_Donor_Count	6
8663	Exact_Mass	144.057514874
498716	Hydrogen_Bond_Donor_Count	0
643833	Exact_Mass	95.9533555
222155	Total_Formal_Charge	0
52946076	Total_Formal_Charge	0
123224323	Isotope_Atom_Count	0
12877	Undefined_Atom_Stereo_Count	0
49866022	Isotope_Atom_Count	0
73919	Undefined_Bond_Stereo_Count	0
11438771	Rotatable_Bond_Count	3
18827	Molecular_Weight	128.21
126968472	Rotatable_Bond_Count	2
79946	TPSA	221
2674	Rotatable_Bond_Count	6
287	Undefined_Atom_Stereo_Count	2
65487	Exact_Mass	571.30647189
439207	Structure_Complexity	1210
70693538	Defined_Atom_Stereo_Count	6
85122	Rotatable_Bond_Count	1
104746	Tautomer_Count	2
472172	Covalent_Unit_Count	1
69340339	Undefined_Bond_Stereo_Count	0
905454	Molecular_Weight	247.33
34327	Exact_Mass	204.093900383
6918585	Covalent_Unit_Count	1
21642	Isotope_Atom_Count	0
66080	Structure_Complexity	92.6
54732122	TPSA	83.8
68323	Defined_Atom_Stereo_Count	0
81803874	Defined_Atom_Stereo_Count	0
542352	Defined_Atom_Stereo_Count	0
25457	Hydrogen_Bond_Acceptor_Count	3
88715	Non-hydrogen_Atom_Count	18
145325785	Covalent_Unit_Count	1
21168	Defined_Atom_Stereo_Count	0
27368	Defined_Atom_Stereo_Count	0
19935912	Structure_Complexity	209
21353681	Molecular_Weight	85.15
20684386	TPSA	20.2
73950789	Total_Formal_Charge	0
17074527	XLogP3-AA	0
8225	Undefined_Bond_Stereo_Count	0
87901	Hydrogen_Bond_Acceptor_Count	6
498158	Covalent_Unit_Count	1
21700	TPSA	107
27872	Non-hydrogen_Atom_Count	31
60947	Tautomer_Count	1
10664	Defined_Bond_Stereo_Count	0
178024	Rotatable_Bond_Count	8
12734569	Molecular_Weight	112.17
9804992	Non-hydrogen_Atom_Count	31
19858611	Total_Formal_Charge	0
97373	Isotope_Atom_Count	0
14392758	Isotope_Atom_Count	0
142551	Tautomer_Count	1
57403932	Isotope_Atom_Count	0
66086	Tautomer_Count	1
13050985	Structure_Complexity	91.9
423438	Isotope_Atom_Count	0
26799	Non-hydrogen_Atom_Count	21
60196275	Exact_Mass	426.08043
15559706	Mono_Isotopic_Weight	385.816009
68636556	Covalent_Unit_Count	1
25600	Hydrogen_Bond_Donor_Count	2
66553195	Molecular_Weight	386.6
97747	Molecular_Weight	254.41
535795	Isotope_Atom_Count	0
73665	TPSA	47.4
305444	Undefined_Bond_Stereo_Count	0
23664617	Hydrogen_Bond_Donor_Count	0
91500	Total_Formal_Charge	0
13066	Molecular_Weight	228.31
71584544	Hydrogen_Bond_Acceptor_Count	6
161588	Rotatable_Bond_Count	3
7870	XLogP3-AA	0.3
47318	TPSA	109
808	TPSA	389
4110039	Mono_Isotopic_Weight	132.00096561
20435525	Total_Formal_Charge	1
9929799	Covalent_Unit_Count	2
60196441	Mono_Isotopic_Weight	613.21753896
215932	Hydrogen_Bond_Donor_Count	1
54727975	TPSA	82.4
4479095	Defined_Bond_Stereo_Count	0
2807	TPSA	110
14297259	Molecular_Weight	96.17
58247571	Covalent_Unit_Count	1
53393586	Mono_Isotopic_Weight	527.23263824
96389	Covalent_Unit_Count	1
13180929	Molecular_Weight	108.14
5319706	Structure_Complexity	314
13351	Hydrogen_Bond_Acceptor_Count	4
102213	Defined_Bond_Stereo_Count	0
86039889	Rotatable_Bond_Count	2
146159501	Undefined_Bond_Stereo_Count	1
2565	Defined_Atom_Stereo_Count	0
23262349	Isotope_Atom_Count	0
13389335	Hydrogen_Bond_Donor_Count	1
13331	TPSA	20.3
44308032	TPSA	56.9
3040551	Total_Formal_Charge	0
2353	XLogP3-AA	3.6
5353830	Defined_Bond_Stereo_Count	1
53892222	Hydrogen_Bond_Acceptor_Count	5
24404	Undefined_Bond_Stereo_Count	0
44237094	XLogP3-AA	3.1
17856440	Exact_Mass	103.099714038
31203	Hydrogen_Bond_Donor_Count	0
19003653	TPSA	12
719704	Molecular_Weight	192.21
165906266	Molecular_Weight	98.15
25271901	Undefined_Bond_Stereo_Count	0
33311	Non-hydrogen_Atom_Count	21
71356656	Defined_Atom_Stereo_Count	0
89311461	Molecular_Weight	114.15
5282545	Total_Formal_Charge	0
23519621	Undefined_Bond_Stereo_Count	0
123684474	Hydrogen_Bond_Donor_Count	0
2723787	Rotatable_Bond_Count	0
91664	Structure_Complexity	260
139975	Total_Formal_Charge	0
13084	Hydrogen_Bond_Donor_Count	2
518696	Undefined_Bond_Stereo_Count	0
136870	Hydrogen_Bond_Acceptor_Count	0
76225402	Total_Formal_Charge	0
65067	Hydrogen_Bond_Acceptor_Count	3
47288	Non-hydrogen_Atom_Count	22
242426	Hydrogen_Bond_Donor_Count	2
25113190	Undefined_Bond_Stereo_Count	0
4662	Defined_Atom_Stereo_Count	0
2723942	TPSA	113
9820034	Non-hydrogen_Atom_Count	26
9049	Structure_Complexity	355
57401196	Structure_Complexity	637
59830609	XLogP3-AA	4.4
362096	Covalent_Unit_Count	1
13584912	Non-hydrogen_Atom_Count	15
12705074	Undefined_Bond_Stereo_Count	0
40466862	Hydrogen_Bond_Acceptor_Count	6
135473834	Molecular_Weight	457.4
85922476	Structure_Complexity	99.6
5462951	Covalent_Unit_Count	1
25137911	Undefined_Atom_Stereo_Count	1
9158	XLogP3	6.4
45117282	Exact_Mass	111.032028402
14923234	Total_Formal_Charge	0
3379942	Molecular_Weight	510.5
153939154	Hydrogen_Bond_Donor_Count	0
58420420	Covalent_Unit_Count	1
10991686	Undefined_Atom_Stereo_Count	0
57396625	Defined_Atom_Stereo_Count	0
3333	Covalent_Unit_Count	1
134694738	Structure_Complexity	514
46891563	Total_Formal_Charge	0
3548422	Covalent_Unit_Count	1
16051918	Defined_Bond_Stereo_Count	0
22833567	Defined_Atom_Stereo_Count	7
85963	Tautomer_Count	1
9869218	TPSA	96.9
10046404	Non-hydrogen_Atom_Count	29
11136668	Covalent_Unit_Count	1
136362	Hydrogen_Bond_Donor_Count	2
129644131	TPSA	20.2
36846	Mono_Isotopic_Weight	319.157228913
19606581	Total_Formal_Charge	0
2723598	Hydrogen_Bond_Donor_Count	3
71311337	Structure_Complexity	8
20417	Molecular_Weight	115.13
135458645	Undefined_Bond_Stereo_Count	3
15037	Molecular_Weight	147.17
11080426	Mono_Isotopic_Weight	299.17193023
638057	Total_Formal_Charge	0
906	Mono_Isotopic_Weight	309.10598118
23038090	Total_Formal_Charge	0
6439276	Covalent_Unit_Count	2
57992058	Defined_Bond_Stereo_Count	0
95299	Rotatable_Bond_Count	3
10178705	XLogP3-AA	1.1
520711	TPSA	12
26428	Molecular_Weight	153.18
38307	Total_Formal_Charge	0
71300725	Defined_Atom_Stereo_Count	0
5484736	Molecular_Weight	389.4
17930355	Isotope_Atom_Count	0
12452068	Molecular_Weight	108.14
123874	Mono_Isotopic_Weight	215.05587416
35775	Molecular_Weight	286.30
244	Covalent_Unit_Count	1
68210	Hydrogen_Bond_Donor_Count	1
25758	Hydrogen_Bond_Donor_Count	1
91326539	Molecular_Weight	96.17
631468	Non-hydrogen_Atom_Count	16
139060478	Defined_Atom_Stereo_Count	0
129628281	Hydrogen_Bond_Acceptor_Count	26
4913	Hydrogen_Bond_Donor_Count	2
70695705	Molecular_Weight	477.5
634876	Total_Formal_Charge	0
165901	Mono_Isotopic_Weight	307.0975211
94228	Structure_Complexity	574
5281976	Non-hydrogen_Atom_Count	15
71449857	Non-hydrogen_Atom_Count	32
101254309	Defined_Bond_Stereo_Count	0
25015692	Hydrogen_Bond_Acceptor_Count	9
7085	Rotatable_Bond_Count	1
5281107	Tautomer_Count	1
448925	Hydrogen_Bond_Acceptor_Count	11
443945	Non-hydrogen_Atom_Count	23
21930924	Non-hydrogen_Atom_Count	23
5281077	Structure_Complexity	154
70070	Undefined_Atom_Stereo_Count	0
6450522	Undefined_Atom_Stereo_Count	1
636401	Isotope_Atom_Count	0
447202	Defined_Atom_Stereo_Count	7
139586220	TPSA	104
752	Mono_Isotopic_Weight	106.02660867
84647648	Defined_Atom_Stereo_Count	0
6509870	Covalent_Unit_Count	1
15405197	Covalent_Unit_Count	1
9576811	Exact_Mass	353.12229995
90904309	Defined_Bond_Stereo_Count	0
5310993	Molecular_Weight	154.12
18323753	Exact_Mass	108.032362755
97959	Non-hydrogen_Atom_Count	9
2733293	Non-hydrogen_Atom_Count	7
86380	Covalent_Unit_Count	1
44033	Non-hydrogen_Atom_Count	23
367656	Hydrogen_Bond_Donor_Count	0
3858	Hydrogen_Bond_Donor_Count	2
57659	Undefined_Atom_Stereo_Count	0
5718	Structure_Complexity	327
82534	Tautomer_Count	1
66616	Hydrogen_Bond_Acceptor_Count	3
6858209	Undefined_Atom_Stereo_Count	0
5312	Structure_Complexity	183
11347535	Molecular_Weight	313.77
596336	Rotatable_Bond_Count	2
442965	TPSA	6.5
201453	Non-hydrogen_Atom_Count	11
161602	Rotatable_Bond_Count	10
164333	Isotope_Atom_Count	0
11501341	Mono_Isotopic_Weight	358.192206
108156	Hydrogen_Bond_Acceptor_Count	7
797972	Total_Formal_Charge	0
9576412	Undefined_Atom_Stereo_Count	0
12628168	Structure_Complexity	118
92839	Undefined_Bond_Stereo_Count	0
38779	Structure_Complexity	296
108207	Molecular_Weight	344.4
20839131	Non-hydrogen_Atom_Count	16
6918188	Exact_Mass	733.15140
76337	Tautomer_Count	1
10887853	TPSA	28.2
66586067	Isotope_Atom_Count	0
2423	Total_Formal_Charge	0
5352435	Isotope_Atom_Count	0
45116616	Hydrogen_Bond_Acceptor_Count	2
23723057	Mono_Isotopic_Weight	274.9752131
158797	Rotatable_Bond_Count	7
165956322	Total_Formal_Charge	0
13399110	Hydrogen_Bond_Donor_Count	0
70943	Hydrogen_Bond_Donor_Count	0
135435111	Isotope_Atom_Count	0
72296	Total_Formal_Charge	0
18518868	Isotope_Atom_Count	0
13772685	Non-hydrogen_Atom_Count	11
260496	Undefined_Bond_Stereo_Count	0
18712662	Hydrogen_Bond_Donor_Count	1
5351	Undefined_Bond_Stereo_Count	0
11789157	Defined_Bond_Stereo_Count	0
37461	Structure_Complexity	553
9863827	Total_Formal_Charge	0
556487	Defined_Atom_Stereo_Count	0
40467085	Hydrogen_Bond_Donor_Count	1
6924	Structure_Complexity	217
14825	Total_Formal_Charge	0
57164040	Molecular_Weight	645.7
34956	Total_Formal_Charge	0
38988396	Isotope_Atom_Count	0
68169200	Mono_Isotopic_Weight	110.073164938
2450	Covalent_Unit_Count	1
3650	Structure_Complexity	183
54111	TPSA	38.8
129674572	Hydrogen_Bond_Acceptor_Count	3
145994872	Covalent_Unit_Count	2
11429	Undefined_Bond_Stereo_Count	0
23377189	Hydrogen_Bond_Acceptor_Count	0
145832	Structure_Complexity	124
5460544	Undefined_Atom_Stereo_Count	0
7696	Total_Formal_Charge	0
9106	Total_Formal_Charge	0
14020446	Exact_Mass	114.068079557
11705608	Defined_Atom_Stereo_Count	0
53346593	Exact_Mass	104.047344113
14437479	Isotope_Atom_Count	0
6568	Hydrogen_Bond_Acceptor_Count	1
31209	Structure_Complexity	199
3224	Isotope_Atom_Count	0
20253	Non-hydrogen_Atom_Count	13
22061818	Mono_Isotopic_Weight	112.063662883
17380	Defined_Atom_Stereo_Count	0
75755	Structure_Complexity	78.7
53924282	Hydrogen_Bond_Acceptor_Count	2
57448808	Hydrogen_Bond_Acceptor_Count	2
10632	Undefined_Bond_Stereo_Count	0
13925935	Hydrogen_Bond_Donor_Count	0
22574	Total_Formal_Charge	0
5352728	TPSA	75.9
145971	Tautomer_Count	3
3971	Molecular_Weight	306.4
3001055	Rotatable_Bond_Count	9
5282745	Non-hydrogen_Atom_Count	18
73895	Hydrogen_Bond_Acceptor_Count	3
25114553	Mono_Isotopic_Weight	492.25973691
25195346	Non-hydrogen_Atom_Count	35
45139106	Undefined_Bond_Stereo_Count	0
32315	Defined_Atom_Stereo_Count	0
3881	Structure_Complexity	445
135441757	Hydrogen_Bond_Acceptor_Count	2
6326	Undefined_Atom_Stereo_Count	0
51039094	Defined_Bond_Stereo_Count	0
139086359	Total_Formal_Charge	0
101879801	Total_Formal_Charge	0
76152	Undefined_Bond_Stereo_Count	0
87280891	Hydrogen_Bond_Donor_Count	5
41037	Undefined_Atom_Stereo_Count	1
6386307	Undefined_Bond_Stereo_Count	0
14410	Rotatable_Bond_Count	2
5311493	Undefined_Bond_Stereo_Count	0
1177	Mono_Isotopic_Weight	244.06953611
60150535	Undefined_Atom_Stereo_Count	0
448799	Structure_Complexity	770
16208013	Defined_Bond_Stereo_Count	0
10537	Undefined_Bond_Stereo_Count	0
14671256	Hydrogen_Bond_Acceptor_Count	1
9939298	Undefined_Atom_Stereo_Count	0
415267	Hydrogen_Bond_Donor_Count	0
32350	Hydrogen_Bond_Acceptor_Count	12
28936	Defined_Bond_Stereo_Count	0
18182	Isotope_Atom_Count	0
98488	Tautomer_Count	3
12976	Mono_Isotopic_Weight	118.03784206
122501	Non-hydrogen_Atom_Count	12
23677832	Structure_Complexity	158
71835	Isotope_Atom_Count	0
57394211	XLogP3-AA	3.9
188914	Defined_Bond_Stereo_Count	0
69342090	Total_Formal_Charge	0
3955599	Isotope_Atom_Count	0
44144434	Undefined_Bond_Stereo_Count	0
24883429	Defined_Bond_Stereo_Count	0
10125048	Mono_Isotopic_Weight	86.048012819
87663190	Hydrogen_Bond_Donor_Count	0
88495127	Exact_Mass	122.00376522
18622355	Non-hydrogen_Atom_Count	8
74255	Undefined_Bond_Stereo_Count	0
36689718	Covalent_Unit_Count	1
86134	Undefined_Atom_Stereo_Count	1
31898	Structure_Complexity	378
79876409	TPSA	26
86705695	Isotope_Atom_Count	0
41322	Defined_Bond_Stereo_Count	0
122239	Defined_Bond_Stereo_Count	0
27826	TPSA	35.9
563049	Hydrogen_Bond_Donor_Count	2
170249	Tautomer_Count	1
133562683	Isotope_Atom_Count	0
23270069	Covalent_Unit_Count	1
159283	Undefined_Atom_Stereo_Count	0
9833652	Defined_Atom_Stereo_Count	12
129653817	Exact_Mass	134.080169959
133109022	Defined_Atom_Stereo_Count	6
571	Non-hydrogen_Atom_Count	19
16835	Isotope_Atom_Count	0
140286824	Defined_Bond_Stereo_Count	0
6067	Tautomer_Count	1
11326613	Non-hydrogen_Atom_Count	29
480785	Rotatable_Bond_Count	5
9949648	Exact_Mass	336.183778013
21702770	XLogP3-AA	0.1
443118	Total_Formal_Charge	0
849349	Defined_Atom_Stereo_Count	0
85505	Exact_Mass	184.9879707
7629	Covalent_Unit_Count	1
6795	Rotatable_Bond_Count	0
71356554	Defined_Bond_Stereo_Count	0
442966	Covalent_Unit_Count	1
90737888	Isotope_Atom_Count	0
64950	Tautomer_Count	2
20793238	Isotope_Atom_Count	0
20669981	Hydrogen_Bond_Donor_Count	0
40479707	Exact_Mass	302.17561863
5288564	Defined_Bond_Stereo_Count	0
14022519	Hydrogen_Bond_Donor_Count	4
1180	Non-hydrogen_Atom_Count	60
2778339	Undefined_Atom_Stereo_Count	0
2828708	TPSA	29.1
11282394	Covalent_Unit_Count	1
23666711	TPSA	242
13573815	Undefined_Atom_Stereo_Count	2
10449	Rotatable_Bond_Count	2
688586	Exact_Mass	244.03472857
54060494	Hydrogen_Bond_Donor_Count	1
88959077	Hydrogen_Bond_Acceptor_Count	2
73415804	Defined_Bond_Stereo_Count	0
4615	XLogP3-AA	4.1
92427	Rotatable_Bond_Count	0
54687420	Undefined_Bond_Stereo_Count	0
20473149	Defined_Bond_Stereo_Count	0
12291440	Undefined_Bond_Stereo_Count	0
5494414	Hydrogen_Bond_Acceptor_Count	7
67963	Rotatable_Bond_Count	0
9853053	Isotope_Atom_Count	0
3008895	Hydrogen_Bond_Acceptor_Count	20
91805	XLogP3-AA	1.7
56841980	Molecular_Weight	744.7
9794485	Structure_Complexity	193
92443	TPSA	75.6
6918003	Mono_Isotopic_Weight	348.1716891
10198924	Defined_Bond_Stereo_Count	0
71311162	Defined_Bond_Stereo_Count	0
16132429	Defined_Atom_Stereo_Count	0
439568	XLogP3	2.7
47354	Total_Formal_Charge	0
80152	XLogP3	3.2
1004	Hydrogen_Bond_Acceptor_Count	4
5282768	Total_Formal_Charge	0
92386	Covalent_Unit_Count	1
21131011	Structure_Complexity	98.6
85985944	Hydrogen_Bond_Donor_Count	0
135403630	Total_Formal_Charge	0
168971	Hydrogen_Bond_Acceptor_Count	16
3081077	Exact_Mass	392.118897
5283748	Defined_Atom_Stereo_Count	6
13528037	Tautomer_Count	7
12794201	Exact_Mass	97.052763847
19041912	Mono_Isotopic_Weight	113.047678466
26033	Non-hydrogen_Atom_Count	24
7090	Hydrogen_Bond_Donor_Count	1
101059324	Hydrogen_Bond_Donor_Count	0
12705074	Rotatable_Bond_Count	2
261	TPSA	17.1
10855394	Non-hydrogen_Atom_Count	7
15526206	Undefined_Atom_Stereo_Count	0
92303	Covalent_Unit_Count	2
12376	XLogP3-AA	0
130153178	Undefined_Bond_Stereo_Count	0
59660022	Hydrogen_Bond_Donor_Count	1
129858308	Mono_Isotopic_Weight	270.07529019
154544	Defined_Atom_Stereo_Count	0
4951	Molecular_Weight	530.6
69807449	Mono_Isotopic_Weight	110.084398327
2312	Mono_Isotopic_Weight	289.240564612
129631271	Molecular_Weight	289.15
26009888	Covalent_Unit_Count	1
13002	Mono_Isotopic_Weight	72.021129366
155803776	Defined_Bond_Stereo_Count	0
13265823	Molecular_Weight	106.12
11865	Mono_Isotopic_Weight	113.011292958
19371857	Isotope_Atom_Count	0
86784	Defined_Atom_Stereo_Count	0
7648	Hydrogen_Bond_Acceptor_Count	6
89805	Undefined_Atom_Stereo_Count	0
222536	Structure_Complexity	125
6333901	Defined_Bond_Stereo_Count	0
561193	Structure_Complexity	210
7025	Hydrogen_Bond_Acceptor_Count	4
86154978	Hydrogen_Bond_Acceptor_Count	10
19784171	TPSA	29.1
451417	Molecular_Weight	679.8
8713	Hydrogen_Bond_Acceptor_Count	2
403646	Mono_Isotopic_Weight	330.03678
24848260	Hydrogen_Bond_Acceptor_Count	2
11804701	Structure_Complexity	97
5281077	Hydrogen_Bond_Donor_Count	1
60165657	Non-hydrogen_Atom_Count	25
441412	Exact_Mass	403.1914215
13333	TPSA	35.9
8373	XLogP3	2.5
59296099	Covalent_Unit_Count	1
12734569	Defined_Bond_Stereo_Count	0
9847836	XLogP3-AA	6.3
6332	Rotatable_Bond_Count	0
15982533	Defined_Atom_Stereo_Count	0
7265	Hydrogen_Bond_Donor_Count	2
28639	Tautomer_Count	1
15294	Exact_Mass	164.047344113
37461	Undefined_Atom_Stereo_Count	0
54587596	Rotatable_Bond_Count	9
155032	Rotatable_Bond_Count	8
47714	Exact_Mass	390.28824308
137643	Undefined_Atom_Stereo_Count	0
1257	Undefined_Atom_Stereo_Count	2
57541295	Hydrogen_Bond_Donor_Count	1
214339	Mono_Isotopic_Weight	352.9614950
3000667	Total_Formal_Charge	0
136253316	Total_Formal_Charge	1
10057607	Defined_Atom_Stereo_Count	0
99456	Defined_Bond_Stereo_Count	0
141028526	Isotope_Atom_Count	0
53856389	Defined_Bond_Stereo_Count	0
75355757	Rotatable_Bond_Count	2
80779	Non-hydrogen_Atom_Count	13
53151	Molecular_Weight	120.11
67248528	Total_Formal_Charge	0
643981	Defined_Atom_Stereo_Count	8
223866	Mono_Isotopic_Weight	408.20490738
3000391	TPSA	196
157706	Covalent_Unit_Count	1
130113566	Hydrogen_Bond_Acceptor_Count	2
69777941	Undefined_Bond_Stereo_Count	0
224167	Non-hydrogen_Atom_Count	21
10111431	Hydrogen_Bond_Donor_Count	1
21916	Non-hydrogen_Atom_Count	23
24027	Molecular_Weight	378.3
14872976	XLogP3-AA	0.9
162990680	Hydrogen_Bond_Donor_Count	7
123779218	Non-hydrogen_Atom_Count	8
82202	Exact_Mass	115.97544247
534451	XLogP3	2.2
72462	Hydrogen_Bond_Acceptor_Count	6
94169	Hydrogen_Bond_Donor_Count	9
9805776	Rotatable_Bond_Count	5
6670	Mono_Isotopic_Weight	223.03031432
26035	Molecular_Weight	326.5
135013065	Molecular_Weight	115.17
5736	Undefined_Bond_Stereo_Count	0
12395962	Defined_Atom_Stereo_Count	0
11543205	Structure_Complexity	278
480242	Rotatable_Bond_Count	2
12760717	Undefined_Bond_Stereo_Count	0
66683198	Non-hydrogen_Atom_Count	24
9045	Hydrogen_Bond_Donor_Count	2
16399351	Hydrogen_Bond_Donor_Count	1
600269	Isotope_Atom_Count	0
5360970	Exact_Mass	369.23039385
11356036	Hydrogen_Bond_Donor_Count	0
49692	Undefined_Atom_Stereo_Count	0
52940915	TPSA	67.9
2136	Structure_Complexity	336
2735045	Hydrogen_Bond_Donor_Count	0
28759	Undefined_Bond_Stereo_Count	0
60196334	Undefined_Atom_Stereo_Count	0
40466954	Total_Formal_Charge	1
86322	Total_Formal_Charge	0
91562173	Hydrogen_Bond_Acceptor_Count	4
130991	Structure_Complexity	1150
11048	Covalent_Unit_Count	3
9578507	TPSA	155
193965	Non-hydrogen_Atom_Count	9
11170938	Covalent_Unit_Count	1
9508	Undefined_Bond_Stereo_Count	0
5289514	Covalent_Unit_Count	1
164886662	TPSA	304
9470	Undefined_Atom_Stereo_Count	1
141445129	Defined_Bond_Stereo_Count	0
763185	Exact_Mass	254.178298710
171075	Exact_Mass	244.0767261
3353976	Rotatable_Bond_Count	5
73005	Defined_Atom_Stereo_Count	0
12523	Undefined_Atom_Stereo_Count	3
5798	Exact_Mass	118.053098200
9886249	Molecular_Weight	382.4
2072949	Undefined_Atom_Stereo_Count	0
71541289	Defined_Bond_Stereo_Count	0
64689	Hydrogen_Bond_Acceptor_Count	6
91482	Hydrogen_Bond_Acceptor_Count	4
180624	Defined_Bond_Stereo_Count	0
541660	XLogP3-AA	1.3
12210217	XLogP3-AA	1.3
1490119	Rotatable_Bond_Count	3
1505	Rotatable_Bond_Count	2
21903	Undefined_Bond_Stereo_Count	0
62875	Mono_Isotopic_Weight	304.0800974
84	Undefined_Atom_Stereo_Count	6
2609	Total_Formal_Charge	0
6440554	Defined_Atom_Stereo_Count	3
4385787	Hydrogen_Bond_Acceptor_Count	6
38464	Mono_Isotopic_Weight	265.1000197
14017772	Non-hydrogen_Atom_Count	8
11956149	Exact_Mass	185.0607417
7571	Rotatable_Bond_Count	4
5569	Defined_Atom_Stereo_Count	0
153834924	TPSA	47.6
7767	Undefined_Bond_Stereo_Count	0
6537503	Defined_Atom_Stereo_Count	0
17520	Non-hydrogen_Atom_Count	10
42373	Tautomer_Count	4
10170	Structure_Complexity	963
11332471	Molecular_Weight	128.09
67518	Covalent_Unit_Count	1
24900685	Defined_Bond_Stereo_Count	0
91747288	Isotope_Atom_Count	0
135465076	Defined_Bond_Stereo_Count	1
21139953	Isotope_Atom_Count	0
14789	Non-hydrogen_Atom_Count	7
93462	Defined_Atom_Stereo_Count	0
12623598	XLogP3-AA	0.4
5288033	Defined_Bond_Stereo_Count	0
57394836	Covalent_Unit_Count	1
2206	Undefined_Atom_Stereo_Count	0
220820	Covalent_Unit_Count	1
20490762	Mono_Isotopic_Weight	122.00376522
13253262	Isotope_Atom_Count	0
14069	Covalent_Unit_Count	1
78352	Molecular_Weight	483.0
65983891	Molecular_Weight	98.10
573744	Total_Formal_Charge	0
75354	Non-hydrogen_Atom_Count	27
59035	Undefined_Atom_Stereo_Count	0
87612217	Hydrogen_Bond_Acceptor_Count	4
81080	Exact_Mass	254.15180918
9969573	Structure_Complexity	606
59693	Hydrogen_Bond_Donor_Count	0
3661	Exact_Mass	289.16779360
12622120	Rotatable_Bond_Count	3
12282	Exact_Mass	455.7369
9797059	Defined_Bond_Stereo_Count	0
565962	Covalent_Unit_Count	1
56666742	TPSA	108
72221005	Undefined_Atom_Stereo_Count	1
69808	Structure_Complexity	59.1
17198	Non-hydrogen_Atom_Count	14
16113753	Undefined_Bond_Stereo_Count	0
115034	Tautomer_Count	1
339213	Defined_Atom_Stereo_Count	0
13054977	Exact_Mass	109.063997236
258030	XLogP3-AA	2
10897645	Defined_Bond_Stereo_Count	0
4400696	Rotatable_Bond_Count	3
17351	Hydrogen_Bond_Acceptor_Count	2
6328250	Structure_Complexity	266
3729	Defined_Atom_Stereo_Count	0
5325504	Isotope_Atom_Count	0
9576412	Isotope_Atom_Count	0
19829703	Total_Formal_Charge	0
15567528	TPSA	41.1
101771	Mono_Isotopic_Weight	334.25079494
107905	Total_Formal_Charge	0
441245	Total_Formal_Charge	0
129209	Tautomer_Count	1
21911205	Defined_Atom_Stereo_Count	0
56440	Covalent_Unit_Count	1
637858	XLogP3-AA	2.1
3006315	Hydrogen_Bond_Acceptor_Count	4
5464924	Exact_Mass	564.03287581
938021	Covalent_Unit_Count	1
5978	XLogP3	2.8
6377	Exact_Mass	57.057849228
4816	Covalent_Unit_Count	1
439177	Molecular_Weight	666.6
22094	Non-hydrogen_Atom_Count	22
23675737	Rotatable_Bond_Count	4
16051921	Structure_Complexity	406
58608	XLogP3-AA	3.4
18212	Non-hydrogen_Atom_Count	14
12938	Rotatable_Bond_Count	3
460516	Hydrogen_Bond_Acceptor_Count	7
96583	Tautomer_Count	3
135492976	Rotatable_Bond_Count	1
134694664	Non-hydrogen_Atom_Count	30
140152869	Undefined_Bond_Stereo_Count	1
70685495	Structure_Complexity	1220
59330719	Non-hydrogen_Atom_Count	8
78837	XLogP3-AA	2.2
5370664	Rotatable_Bond_Count	3
19594968	Molecular_Weight	72.11
56603751	Defined_Atom_Stereo_Count	0
53708664	Defined_Bond_Stereo_Count	0
44134719	Hydrogen_Bond_Donor_Count	5
115011064	Mono_Isotopic_Weight	114.068079557
91302105	Hydrogen_Bond_Acceptor_Count	2
26033	Undefined_Bond_Stereo_Count	0
703	TPSA	356
52865	Defined_Atom_Stereo_Count	0
139060478	Molecular_Weight	583.0
91778	Rotatable_Bond_Count	4
52141942	Hydrogen_Bond_Acceptor_Count	1
55285	Defined_Bond_Stereo_Count	0
7092657	TPSA	37.3
32756	Structure_Complexity	737
5463057	Rotatable_Bond_Count	2
10324367	XLogP3-AA	3.1
96420	Defined_Bond_Stereo_Count	0
90877284	Covalent_Unit_Count	1
132784510	Defined_Atom_Stereo_Count	0
6919003	Defined_Atom_Stereo_Count	0
14297259	Defined_Bond_Stereo_Count	0
295763	Covalent_Unit_Count	1
142403683	Defined_Atom_Stereo_Count	0
15809	Tautomer_Count	2
106	Hydrogen_Bond_Acceptor_Count	7
21322	Tautomer_Count	2
89027474	Hydrogen_Bond_Donor_Count	0
18757559	Defined_Bond_Stereo_Count	0
13401998	Hydrogen_Bond_Donor_Count	1
19849296	Covalent_Unit_Count	1
94176	Hydrogen_Bond_Acceptor_Count	4
38875	Undefined_Bond_Stereo_Count	0
10953489	Molecular_Weight	124.09
12613	XLogP3-AA	3.1
6570	Molecular_Weight	70.09
19090	Rotatable_Bond_Count	1
4992033	Structure_Complexity	111
8156	Hydrogen_Bond_Donor_Count	0
160355	Molecular_Weight	354.4
5792	Rotatable_Bond_Count	2
11053509	Rotatable_Bond_Count	1
4264	Hydrogen_Bond_Donor_Count	4
656892	Rotatable_Bond_Count	8
25169382	Rotatable_Bond_Count	3
12765	Non-hydrogen_Atom_Count	9
11969781	TPSA	202
550719	Hydrogen_Bond_Acceptor_Count	3
5988	Isotope_Atom_Count	0
8894	Non-hydrogen_Atom_Count	6
9995236	Undefined_Bond_Stereo_Count	0
10482544	XLogP3-AA	2.2
73415789	Exact_Mass	524.0784474
11463807	Defined_Bond_Stereo_Count	0
15166	Mono_Isotopic_Weight	156.151415257
4413	Structure_Complexity	552
53811889	Non-hydrogen_Atom_Count	8
11809740	Undefined_Atom_Stereo_Count	0
25195346	Hydrogen_Bond_Donor_Count	3
155142	Rotatable_Bond_Count	23
22617391	Undefined_Bond_Stereo_Count	0
4761	Isotope_Atom_Count	0
10384666	Hydrogen_Bond_Acceptor_Count	4
146171122	TPSA	104
449242	Molecular_Weight	360.26
5284580	Hydrogen_Bond_Donor_Count	7
5380976	Rotatable_Bond_Count	1
67444	Undefined_Atom_Stereo_Count	0
68432538	Mono_Isotopic_Weight	100.052429494
65211	Non-hydrogen_Atom_Count	33
13078198	Covalent_Unit_Count	1
163409779	Hydrogen_Bond_Acceptor_Count	4
6917874	Structure_Complexity	1600
10715	Hydrogen_Bond_Donor_Count	2
27501	Total_Formal_Charge	0
459140	Exact_Mass	314.105527694
4205687	Structure_Complexity	57.5
6424	Isotope_Atom_Count	0
91739	Tautomer_Count	1
16197725	Tautomer_Count	986
44224066	Molecular_Weight	700.8
86122	Total_Formal_Charge	0
14219	Hydrogen_Bond_Donor_Count	4
13248127	Isotope_Atom_Count	0
151173	Total_Formal_Charge	0
3862645	Molecular_Weight	271.38
101561	Hydrogen_Bond_Donor_Count	3
99748	Undefined_Atom_Stereo_Count	0
11815817	Undefined_Bond_Stereo_Count	0
5284551	TPSA	163
10534631	Hydrogen_Bond_Donor_Count	1
13166	Mono_Isotopic_Weight	126.104465066
446378	Hydrogen_Bond_Donor_Count	2
56842208	Isotope_Atom_Count	0
140945	Hydrogen_Bond_Donor_Count	0
11658860	Structure_Complexity	172
5347	Undefined_Bond_Stereo_Count	1
8102	Undefined_Atom_Stereo_Count	0
56033	TPSA	117
58223444	Hydrogen_Bond_Acceptor_Count	2
18624857	Hydrogen_Bond_Acceptor_Count	2
101671175	Molecular_Weight	748.0
6433334	Exact_Mass	434.08412
5241	Non-hydrogen_Atom_Count	19
10125362	Rotatable_Bond_Count	7
44473182	Hydrogen_Bond_Donor_Count	0
54767916	Isotope_Atom_Count	0
87190	Undefined_Atom_Stereo_Count	0
128600	Isotope_Atom_Count	0
18000118	Molecular_Weight	101.15
23657865	Hydrogen_Bond_Donor_Count	3
24946456	Non-hydrogen_Atom_Count	30
225	Exact_Mass	290.224580195
145562	Total_Formal_Charge	0
3960	Undefined_Atom_Stereo_Count	1
57306415	Undefined_Atom_Stereo_Count	0
67406	Total_Formal_Charge	0
74404	Defined_Bond_Stereo_Count	0
44395089	Non-hydrogen_Atom_Count	44
5177120	Molecular_Weight	115.11
24987688	XLogP3-AA	3.1
235713	Hydrogen_Bond_Donor_Count	2
42610	Mono_Isotopic_Weight	347.14561886
67296	Hydrogen_Bond_Donor_Count	1
17994152	Mono_Isotopic_Weight	62.036779430
9739	Undefined_Bond_Stereo_Count	0
21635253	Hydrogen_Bond_Donor_Count	3
313215	Covalent_Unit_Count	1
57429034	Structure_Complexity	97.2
46173365	Mono_Isotopic_Weight	552.03040840
4306127	Defined_Bond_Stereo_Count	0
10039361	Undefined_Atom_Stereo_Count	0
15032	Rotatable_Bond_Count	1
13436	Exact_Mass	218.02239267
70309	Covalent_Unit_Count	1
5375048	Rotatable_Bond_Count	2
517072	TPSA	49.4
153807932	Undefined_Bond_Stereo_Count	0
444305	Covalent_Unit_Count	1
57459753	Structure_Complexity	115
138304	Hydrogen_Bond_Acceptor_Count	0
136576216	TPSA	26
91855653	Rotatable_Bond_Count	4
69272932	Isotope_Atom_Count	0
80972	Covalent_Unit_Count	1
25380	Undefined_Bond_Stereo_Count	0
2994	Rotatable_Bond_Count	11
53670643	Defined_Atom_Stereo_Count	0
156619056	Defined_Bond_Stereo_Count	0
197942	Defined_Bond_Stereo_Count	0
6909	Defined_Bond_Stereo_Count	0
101417753	Non-hydrogen_Atom_Count	16
141758021	Total_Formal_Charge	0
5447130	Non-hydrogen_Atom_Count	14
13460	Defined_Bond_Stereo_Count	0
2215480	TPSA	41.5
123258031	Mono_Isotopic_Weight	110.073164938
3000322	TPSA	62.3
7700	Non-hydrogen_Atom_Count	19
67807	Defined_Bond_Stereo_Count	0
20220682	Hydrogen_Bond_Acceptor_Count	2
444797	Isotope_Atom_Count	0
79242	Hydrogen_Bond_Donor_Count	2
12204059	Undefined_Atom_Stereo_Count	4
13853	Mono_Isotopic_Weight	86.073164938
66986	Rotatable_Bond_Count	12
6957672	XLogP3-AA	3.9
536086	Rotatable_Bond_Count	1
134812042	Total_Formal_Charge	0
13418379	Exact_Mass	112.100048391
154474735	Non-hydrogen_Atom_Count	7
68903	TPSA	49.4
135398592	Hydrogen_Bond_Donor_Count	4
8030	Covalent_Unit_Count	1
13895197	Covalent_Unit_Count	1
149096	Hydrogen_Bond_Acceptor_Count	8
57066209	Undefined_Atom_Stereo_Count	0
38963	Hydrogen_Bond_Donor_Count	2
75755	Undefined_Bond_Stereo_Count	0
15420544	Covalent_Unit_Count	1
11531460	Hydrogen_Bond_Acceptor_Count	4
1518	Mono_Isotopic_Weight	242.154489261
5281727	Non-hydrogen_Atom_Count	19
27934	Mono_Isotopic_Weight	222.115698455
17963347	Rotatable_Bond_Count	5
2966	Defined_Bond_Stereo_Count	0
44135711	Isotope_Atom_Count	0
9847	Exact_Mass	92.04375652
27914	Undefined_Bond_Stereo_Count	0
3552	Hydrogen_Bond_Acceptor_Count	5
4713	Undefined_Atom_Stereo_Count	0
443732	Exact_Mass	71.073499291
18656	Undefined_Bond_Stereo_Count	0
137720	Hydrogen_Bond_Acceptor_Count	2
30140	Defined_Bond_Stereo_Count	0
2724192	Undefined_Atom_Stereo_Count	0
45076013	Total_Formal_Charge	0
21930812	Undefined_Bond_Stereo_Count	0
18364059	Hydrogen_Bond_Acceptor_Count	2
13401996	Non-hydrogen_Atom_Count	6
20387237	Structure_Complexity	62.6
5363685	TPSA	34.1
69061828	Mono_Isotopic_Weight	108.057514874
58340	Structure_Complexity	252
53315818	Exact_Mass	243.08954328
10313102	XLogP3-AA	0.3
136703	Isotope_Atom_Count	0
14078850	XLogP3-AA	4
59503411	TPSA	110
192275	Defined_Bond_Stereo_Count	0
858	Covalent_Unit_Count	1
71152	Tautomer_Count	4
87105125	Hydrogen_Bond_Acceptor_Count	2
67591	Molecular_Weight	180.16
18410493	Defined_Atom_Stereo_Count	0
11419335	Total_Formal_Charge	0
55299744	Hydrogen_Bond_Acceptor_Count	2
13791373	Exact_Mass	111.068413911
3037886	Mono_Isotopic_Weight	231.162314293
8678	Non-hydrogen_Atom_Count	13
131704316	Exact_Mass	898.40871
9785	Undefined_Bond_Stereo_Count	0
11018	Non-hydrogen_Atom_Count	25
70608	Total_Formal_Charge	0
85774373	Covalent_Unit_Count	1
581206	Exact_Mass	170.130679813
135979919	XLogP3-AA	4.1
708	Molecular_Weight	722.9
94791	TPSA	40.6
71643	Undefined_Bond_Stereo_Count	0
95433	Undefined_Bond_Stereo_Count	0
5281522	Tautomer_Count	1
80873	Molecular_Weight	360.6
93286	Undefined_Bond_Stereo_Count	0
136704	Structure_Complexity	63.4
3811100	Defined_Bond_Stereo_Count	0
31370	Isotope_Atom_Count	0
2786	Non-hydrogen_Atom_Count	27
24181476	Defined_Atom_Stereo_Count	0
10061	Molecular_Weight	386.5
20439427	Hydrogen_Bond_Donor_Count	1
6364620	XLogP3-AA	7.1
10789	Total_Formal_Charge	0
22108	Hydrogen_Bond_Acceptor_Count	3
15605556	Total_Formal_Charge	0
9956127	XLogP3-AA	4.6
4849	Structure_Complexity	564
180624	Total_Formal_Charge	0
24550	Mono_Isotopic_Weight	157.899009
75989941	Undefined_Atom_Stereo_Count	2
71587637	Structure_Complexity	450
60846	Isotope_Atom_Count	0
70881	Hydrogen_Bond_Acceptor_Count	3
524409	Hydrogen_Bond_Donor_Count	0
440864	Exact_Mass	104.047344113
556685	Rotatable_Bond_Count	0
4198	Rotatable_Bond_Count	1
54370822	Mono_Isotopic_Weight	102.079312947
107327	Non-hydrogen_Atom_Count	16
2161	Covalent_Unit_Count	1
70400351	Hydrogen_Bond_Donor_Count	1
21987892	Undefined_Atom_Stereo_Count	0
8188	Defined_Atom_Stereo_Count	0
64950	Undefined_Bond_Stereo_Count	0
13157914	Molecular_Weight	120.15
163900	Defined_Bond_Stereo_Count	0
6397996	Non-hydrogen_Atom_Count	2
10887985	Mono_Isotopic_Weight	138.140850574
92884	Molecular_Weight	189.12
60574	Undefined_Atom_Stereo_Count	1
20874	Covalent_Unit_Count	1
9799888	Defined_Atom_Stereo_Count	0
87870867	Covalent_Unit_Count	1
19651	Exact_Mass	529.953300
17981364	TPSA	66.7
5282517	Isotope_Atom_Count	0
84253	Undefined_Atom_Stereo_Count	0
24936995	Structure_Complexity	175
57535	Rotatable_Bond_Count	8
17355	Molecular_Weight	148.20
101074209	Defined_Atom_Stereo_Count	15
12595141	Total_Formal_Charge	0
63958	XLogP3-AA	2.4
3821	Undefined_Bond_Stereo_Count	0
67795854	Rotatable_Bond_Count	4
57016034	Covalent_Unit_Count	1
20708	Mono_Isotopic_Weight	291.2692779
53645872	Undefined_Bond_Stereo_Count	0
12452576	Molecular_Weight	85.12
12452075	Hydrogen_Bond_Donor_Count	0
25010556	Total_Formal_Charge	1
208954	Defined_Atom_Stereo_Count	0
89951991	Hydrogen_Bond_Acceptor_Count	11
9956	Undefined_Bond_Stereo_Count	0
16049450	Molecular_Weight	482.1
208925	Total_Formal_Charge	0
3033674	Hydrogen_Bond_Acceptor_Count	8
3090	Mono_Isotopic_Weight	141.053826475
2723866	Molecular_Weight	215.63
38945	XLogP3	0.8
45040320	Defined_Bond_Stereo_Count	0
19883347	Exact_Mass	101.084063974
870718	Hydrogen_Bond_Acceptor_Count	5
34134	Defined_Bond_Stereo_Count	0
96922	Mono_Isotopic_Weight	114.02516937
6971098	Hydrogen_Bond_Donor_Count	5
16141	Undefined_Bond_Stereo_Count	0
12290	Mono_Isotopic_Weight	95.037113783
755373	Molecular_Weight	276.29
62504	Defined_Atom_Stereo_Count	0
659218	XLogP3-AA	1.6
38310	Defined_Bond_Stereo_Count	0
450484	Undefined_Atom_Stereo_Count	0
3795	TPSA	76.5
70752	Non-hydrogen_Atom_Count	10
2775	Defined_Bond_Stereo_Count	0
11966095	Non-hydrogen_Atom_Count	85
830713	Defined_Bond_Stereo_Count	0
15938963	Covalent_Unit_Count	1
13593931	Defined_Bond_Stereo_Count	0
86289068	Undefined_Bond_Stereo_Count	0
409453	Covalent_Unit_Count	1
73764	Defined_Bond_Stereo_Count	0
96098	Defined_Atom_Stereo_Count	0
14359580	Hydrogen_Bond_Donor_Count	0
246	Molecular_Weight	370.5
5353439	Defined_Atom_Stereo_Count	0
66057	Defined_Atom_Stereo_Count	0
91884755	Defined_Atom_Stereo_Count	5
101988841	Non-hydrogen_Atom_Count	1
56955286	TPSA	58.7
6918637	Undefined_Atom_Stereo_Count	0
12433	Defined_Atom_Stereo_Count	0
42395	Undefined_Bond_Stereo_Count	0
9918559	Non-hydrogen_Atom_Count	35
18815	Non-hydrogen_Atom_Count	19
3345	Non-hydrogen_Atom_Count	25
75779	Molecular_Weight	452.8
25271781	Undefined_Bond_Stereo_Count	0
2109	Molecular_Weight	147.13
79813	Covalent_Unit_Count	1
156614059	Undefined_Atom_Stereo_Count	0
24848235	Hydrogen_Bond_Donor_Count	1
517320	Hydrogen_Bond_Acceptor_Count	6
99058	Hydrogen_Bond_Acceptor_Count	9
129688311	Exact_Mass	1030.35880530
443716	Undefined_Atom_Stereo_Count	0
4357	Exact_Mass	344.03856
12242916	Hydrogen_Bond_Donor_Count	0
70689350	Mono_Isotopic_Weight	453.25489452
11740218	Total_Formal_Charge	0
9905438	Structure_Complexity	393
136664419	Mono_Isotopic_Weight	528.21078060
292	TPSA	301
4667	Hydrogen_Bond_Donor_Count	2
135516356	Isotope_Atom_Count	0
276123	Total_Formal_Charge	0
140291701	Covalent_Unit_Count	1
90437	Defined_Atom_Stereo_Count	1
445212	Exact_Mass	252.11100700
106228050	Non-hydrogen_Atom_Count	8
87535084	Covalent_Unit_Count	1
155895288	Rotatable_Bond_Count	1
34173590	Hydrogen_Bond_Acceptor_Count	11
23574562	Isotope_Atom_Count	0
123249	Hydrogen_Bond_Donor_Count	0
21379	Undefined_Bond_Stereo_Count	0
28346	Total_Formal_Charge	0
398593	Hydrogen_Bond_Donor_Count	2
3058	Covalent_Unit_Count	1
124224932	Non-hydrogen_Atom_Count	59
11987858	Rotatable_Bond_Count	0
54345713	Rotatable_Bond_Count	2
36679	Hydrogen_Bond_Acceptor_Count	1
76206	Molecular_Weight	134.56
6603320	Non-hydrogen_Atom_Count	36
12775	Molecular_Weight	136.19
64184	Non-hydrogen_Atom_Count	12
53967	Hydrogen_Bond_Acceptor_Count	3
9283	Rotatable_Bond_Count	3
5378708	Undefined_Atom_Stereo_Count	0
23952	Structure_Complexity	0
141070	Isotope_Atom_Count	0
376	Covalent_Unit_Count	1
5899068	Tautomer_Count	1
131801164	Rotatable_Bond_Count	7
5371728	Molecular_Weight	369.6
56238	Defined_Atom_Stereo_Count	0
3086686	TPSA	77.2
4096517	Hydrogen_Bond_Donor_Count	0
16760139	TPSA	92.4
154479899	Mono_Isotopic_Weight	112.052429494
129015152	Undefined_Atom_Stereo_Count	0
13203	Non-hydrogen_Atom_Count	8
15809	Isotope_Atom_Count	0
117479	Covalent_Unit_Count	1
5067511	Rotatable_Bond_Count	1
5289289	Undefined_Atom_Stereo_Count	0
9961	Molecular_Weight	124.09
6603775	Mono_Isotopic_Weight	1201.84136802
131751505	Hydrogen_Bond_Acceptor_Count	8
47714	Hydrogen_Bond_Acceptor_Count	4
4317	Defined_Atom_Stereo_Count	0
6266	Non-hydrogen_Atom_Count	23
11061169	Total_Formal_Charge	0
134689013	Hydrogen_Bond_Acceptor_Count	3
57473636	Undefined_Bond_Stereo_Count	0
52148	Undefined_Atom_Stereo_Count	0
9862634	Isotope_Atom_Count	0
11573	Hydrogen_Bond_Donor_Count	0
44590403	Covalent_Unit_Count	1
139510	Defined_Atom_Stereo_Count	0
11895	Exact_Mass	170.0134572
98231	XLogP3	1.4
95850	Structure_Complexity	351
124636142	Total_Formal_Charge	0
12754	Hydrogen_Bond_Donor_Count	0
29878	Defined_Bond_Stereo_Count	0
523	Defined_Atom_Stereo_Count	0
11164	Structure_Complexity	35.9
66603137	Isotope_Atom_Count	0
134688015	Hydrogen_Bond_Acceptor_Count	0
5323974	TPSA	50.7
24984	Tautomer_Count	1
3798	Defined_Bond_Stereo_Count	0
152257	Mono_Isotopic_Weight	201.151749610
11669698	TPSA	168
20769610	Non-hydrogen_Atom_Count	8
23688987	Exact_Mass	251.99160210
21067	Hydrogen_Bond_Acceptor_Count	3
62828	Isotope_Atom_Count	0
121489349	Mono_Isotopic_Weight	2011.8379101
5282229	Undefined_Bond_Stereo_Count	0
14523552	Covalent_Unit_Count	1
18343488	Hydrogen_Bond_Donor_Count	2
101621557	Hydrogen_Bond_Acceptor_Count	3
447407	Mono_Isotopic_Weight	228.11100700
140071	Total_Formal_Charge	0
10943	Hydrogen_Bond_Donor_Count	0
63996	Molecular_Weight	308.3
66577443	Molecular_Weight	260.22
59082722	Undefined_Bond_Stereo_Count	0
90495	Defined_Atom_Stereo_Count	0
6420041	Covalent_Unit_Count	4
11412863	Exact_Mass	192.0828400
11669698	Mono_Isotopic_Weight	456.10564683
5284580	Tautomer_Count	1
35823	Covalent_Unit_Count	1
573612	Undefined_Atom_Stereo_Count	0
26444	Total_Formal_Charge	0
68296308	Defined_Bond_Stereo_Count	0
140143509	Defined_Bond_Stereo_Count	0
37521	Rotatable_Bond_Count	4
5650	Undefined_Atom_Stereo_Count	1
3804189	Undefined_Bond_Stereo_Count	0
3017434	Structure_Complexity	72.9
73082918	Hydrogen_Bond_Donor_Count	3
24957182	Mono_Isotopic_Weight	603.20933888
5442	Rotatable_Bond_Count	0
60196400	Mono_Isotopic_Weight	527.24539246
73945	Undefined_Bond_Stereo_Count	0
774599	XLogP3-AA	2.7
501728	Undefined_Bond_Stereo_Count	0
107800	Rotatable_Bond_Count	7
128882	Tautomer_Count	3
3036	Exact_Mass	353.911739
14263148	Defined_Atom_Stereo_Count	0
4628	Mono_Isotopic_Weight	261.06372245
66320	Defined_Bond_Stereo_Count	0
2604	Molecular_Weight	268.31
760006	Isotope_Atom_Count	0
456214	XLogP3-AA	4.3
89268685	Covalent_Unit_Count	1
5014	Hydrogen_Bond_Acceptor_Count	1
123934238	Undefined_Atom_Stereo_Count	3
9799979	Hydrogen_Bond_Donor_Count	1
5353923	Covalent_Unit_Count	1
8842	Undefined_Atom_Stereo_Count	1
86467	Structure_Complexity	466
57156265	Hydrogen_Bond_Acceptor_Count	1
13301951	Isotope_Atom_Count	0
53869568	Isotope_Atom_Count	0
4680	Isotope_Atom_Count	0
71311382	Hydrogen_Bond_Donor_Count	0
19092	Isotope_Atom_Count	0
23106685	Exact_Mass	101.084063974
181978	Covalent_Unit_Count	3
60558	Molecular_Weight	575.6
14475	Isotope_Atom_Count	0
16724	Total_Formal_Charge	0
101297691	Defined_Bond_Stereo_Count	0
6473739	Undefined_Atom_Stereo_Count	1
11852355	Molecular_Weight	376.5
97255	Undefined_Atom_Stereo_Count	0
18974460	Total_Formal_Charge	0
25052652	Defined_Atom_Stereo_Count	1
72760	TPSA	98.8
90730816	Mono_Isotopic_Weight	83.073499291
19782023	Exact_Mass	86.084398327
130515614	TPSA	20.2
13536814	Tautomer_Count	1
104838	Hydrogen_Bond_Donor_Count	3
14231	TPSA	40.5
71345	Non-hydrogen_Atom_Count	27
71072113	Defined_Atom_Stereo_Count	1
6435808	Defined_Bond_Stereo_Count	1
93321	Defined_Atom_Stereo_Count	5
199543	Exact_Mass	108.021129366
73828	TPSA	78.1
559	Rotatable_Bond_Count	4
24997747	Undefined_Atom_Stereo_Count	0
148362624	XLogP3-AA	0.9
142	Mono_Isotopic_Weight	251.10183929
10239769	Molecular_Weight	555.6
5289247	Exact_Mass	257.02589765
24611	Hydrogen_Bond_Acceptor_Count	0
48491	Rotatable_Bond_Count	10
53904133	XLogP3-AA	0.2
4461	TPSA	211
49868115	Hydrogen_Bond_Acceptor_Count	4
18744	Covalent_Unit_Count	1
21930812	Rotatable_Bond_Count	2
38310	TPSA	46.3
131255	Defined_Atom_Stereo_Count	0
1524	Defined_Atom_Stereo_Count	0
22829	XLogP3-AA	3.3
87527569	Hydrogen_Bond_Acceptor_Count	4
146159752	Mono_Isotopic_Weight	422.36670574
54150876	Hydrogen_Bond_Acceptor_Count	3
11029779	Non-hydrogen_Atom_Count	8
162413	Molecular_Weight	186.29
12882458	Hydrogen_Bond_Acceptor_Count	1
94020	Rotatable_Bond_Count	2
94926	XLogP3-AA	3
39385	Total_Formal_Charge	0
51577	Undefined_Bond_Stereo_Count	0
24772043	Molecular_Weight	454.6
316797	Defined_Atom_Stereo_Count	0
94483	Covalent_Unit_Count	1
506152	Structure_Complexity	691
18330928	Hydrogen_Bond_Acceptor_Count	1
44560703	Defined_Atom_Stereo_Count	0
72200850	XLogP3-AA	4.6
317883	Structure_Complexity	679
20385080	Covalent_Unit_Count	1
91753	Isotope_Atom_Count	0
5378630	Undefined_Bond_Stereo_Count	0
9469	Undefined_Bond_Stereo_Count	0
74030550	Undefined_Atom_Stereo_Count	40
8027	Rotatable_Bond_Count	0
2981	XLogP3	2.7
3085218	Non-hydrogen_Atom_Count	20
32597	TPSA	38.3
170231	Undefined_Atom_Stereo_Count	0
32326	Undefined_Bond_Stereo_Count	0
46174097	XLogP3	0.6
71849	Covalent_Unit_Count	3
101643209	Defined_Bond_Stereo_Count	0
3073200	Molecular_Weight	246.21
8058	Tautomer_Count	1
10087998	Non-hydrogen_Atom_Count	24
731361	Rotatable_Bond_Count	5
65499	Defined_Bond_Stereo_Count	0
64328	Hydrogen_Bond_Acceptor_Count	2
5353593	Non-hydrogen_Atom_Count	20
6887	Non-hydrogen_Atom_Count	15
6224	Exact_Mass	257.97283534
105000	Mono_Isotopic_Weight	301.17902698
21019405	TPSA	50.1
6584	Molecular_Weight	74.08
9727	Hydrogen_Bond_Donor_Count	2
44477	Covalent_Unit_Count	1
8027	Hydrogen_Bond_Acceptor_Count	0
70682214	XLogP3-AA	1.3
2734171	Undefined_Bond_Stereo_Count	0
94215	Non-hydrogen_Atom_Count	8
154342	Tautomer_Count	3
14323	Tautomer_Count	3
121945	Structure_Complexity	561
93563	Tautomer_Count	1
53673	Structure_Complexity	191
23672064	Undefined_Bond_Stereo_Count	0
527111	Rotatable_Bond_Count	3
83156	Defined_Atom_Stereo_Count	0
18783247	Mono_Isotopic_Weight	150.042927438
25374	Undefined_Atom_Stereo_Count	0
91463	Molecular_Weight	170.25
44589090	Undefined_Bond_Stereo_Count	0
131801109	Exact_Mass	802.26322735
5486198	Non-hydrogen_Atom_Count	17
10131269	Total_Formal_Charge	0
71309128	Non-hydrogen_Atom_Count	12
11288	Structure_Complexity	275
287350	Covalent_Unit_Count	1
2775316	Hydrogen_Bond_Donor_Count	0
257950	Covalent_Unit_Count	1
59296085	Non-hydrogen_Atom_Count	31
104838	Mono_Isotopic_Weight	299.09397721
70693265	TPSA	89.2
92020576	Exact_Mass	146.05790880
10066275	Rotatable_Bond_Count	3
10349	Rotatable_Bond_Count	3
3058737	XLogP3	1.8
32719	Tautomer_Count	1
9284	Structure_Complexity	330
219224	Exact_Mass	113.047678466
154982320	Hydrogen_Bond_Donor_Count	0
53249048	Undefined_Bond_Stereo_Count	0
23257217	Non-hydrogen_Atom_Count	17
26058	TPSA	0
1488444	Structure_Complexity	519
69722	Molecular_Weight	192.19
40466884	Isotope_Atom_Count	0
118984411	Exact_Mass	405.14323607
411051	TPSA	33.1
53631403	Hydrogen_Bond_Acceptor_Count	2
517063	Isotope_Atom_Count	0
16220118	Rotatable_Bond_Count	4
57224326	Structure_Complexity	70.8
5318	Undefined_Bond_Stereo_Count	0
941361	Exact_Mass	404.20640516
26035	Rotatable_Bond_Count	4
138991760	Non-hydrogen_Atom_Count	38
14325611	Mono_Isotopic_Weight	105.078978594
80934	Total_Formal_Charge	0
9794218	Total_Formal_Charge	0
5420	Structure_Complexity	336
133268464	Hydrogen_Bond_Donor_Count	21
9696	Isotope_Atom_Count	0
44126086	Hydrogen_Bond_Acceptor_Count	5
77515	Hydrogen_Bond_Donor_Count	0
164668700	Covalent_Unit_Count	1
10073306	XLogP3-AA	1.8
8112	Defined_Atom_Stereo_Count	0
156035640	Covalent_Unit_Count	1
70813	Isotope_Atom_Count	0
19518	Hydrogen_Bond_Donor_Count	1
14502695	Structure_Complexity	109
85776583	Defined_Atom_Stereo_Count	0
2032	Hydrogen_Bond_Acceptor_Count	3
4748	Exact_Mass	403.1485113
53494972	XLogP3-AA	3.4
9548810	Isotope_Atom_Count	0
68845	Isotope_Atom_Count	0
414243	Structure_Complexity	72.8
723	Rotatable_Bond_Count	2
101304	Non-hydrogen_Atom_Count	18
85056	Defined_Bond_Stereo_Count	0
954767	Molecular_Weight	279.3
6432906	Non-hydrogen_Atom_Count	10
21450089	TPSA	9.2
19646	Hydrogen_Bond_Acceptor_Count	6
58860	Isotope_Atom_Count	0
274426	Total_Formal_Charge	0
10931374	Defined_Bond_Stereo_Count	0
14924951	Structure_Complexity	66.1
12456	Covalent_Unit_Count	2
65700	Undefined_Atom_Stereo_Count	1
14822542	Structure_Complexity	457
23153	Defined_Bond_Stereo_Count	0
16740	Hydrogen_Bond_Acceptor_Count	4
8614	Mono_Isotopic_Weight	304.95489
66057	Hydrogen_Bond_Acceptor_Count	2
6014	Non-hydrogen_Atom_Count	21
13011	Non-hydrogen_Atom_Count	9
136183446	XLogP3-AA	5.4
5352982	Rotatable_Bond_Count	13
72153	XLogP3-AA	1.4
21545139	Isotope_Atom_Count	0
90707288	TPSA	26
5288223	Exact_Mass	176.03813935
893524	Undefined_Atom_Stereo_Count	0
12604	Defined_Bond_Stereo_Count	0
19348604	Covalent_Unit_Count	1
139075879	Undefined_Bond_Stereo_Count	0
110785	Defined_Atom_Stereo_Count	0
9742	Hydrogen_Bond_Acceptor_Count	2
4044	Hydrogen_Bond_Acceptor_Count	3
17995824	Undefined_Atom_Stereo_Count	0
55287187	Covalent_Unit_Count	1
78422638	Undefined_Bond_Stereo_Count	0
62010	Mono_Isotopic_Weight	101.084063974
16213884	Hydrogen_Bond_Acceptor_Count	8
12711601	XLogP3-AA	1.4
83803459	Hydrogen_Bond_Donor_Count	1
89629295	Hydrogen_Bond_Acceptor_Count	2
65013	Defined_Bond_Stereo_Count	0
3945	Defined_Atom_Stereo_Count	0
52947103	Total_Formal_Charge	0
4668	TPSA	37.3
87081618	Non-hydrogen_Atom_Count	10
2948	Undefined_Atom_Stereo_Count	0
71300410	Rotatable_Bond_Count	0
58516110	Covalent_Unit_Count	1
65957	Defined_Bond_Stereo_Count	0
129635186	Molecular_Weight	791.5
3085168	Defined_Atom_Stereo_Count	0
10155136	Exact_Mass	355.13321961
8816	Defined_Atom_Stereo_Count	0
136649	Mono_Isotopic_Weight	108.093900383
142906448	Non-hydrogen_Atom_Count	8
67432369	Non-hydrogen_Atom_Count	7
10707	TPSA	91.6
68682560	Undefined_Atom_Stereo_Count	0
17179	Molecular_Weight	332.2
54676715	Covalent_Unit_Count	1
97991	Mono_Isotopic_Weight	175.099714038
30493	Total_Formal_Charge	0
20560	Tautomer_Count	2
21942008	Undefined_Bond_Stereo_Count	0
15681692	Total_Formal_Charge	0
13827562	Mono_Isotopic_Weight	206.167065321
124009347	Isotope_Atom_Count	0
13244490	Isotope_Atom_Count	0
13707495	Rotatable_Bond_Count	1
11876	Structure_Complexity	199
6437731	Hydrogen_Bond_Acceptor_Count	3
4669250	Rotatable_Bond_Count	0
57398253	Structure_Complexity	663
1498	Undefined_Atom_Stereo_Count	0
129729130	Non-hydrogen_Atom_Count	34
76958180	Undefined_Bond_Stereo_Count	0
7840	Covalent_Unit_Count	1
70721	Exact_Mass	110.073164938
647120	Molecular_Weight	403.8
5321318	Covalent_Unit_Count	1
133665799	Covalent_Unit_Count	1
65092	Undefined_Atom_Stereo_Count	0
137349957	Structure_Complexity	1730
74170	Defined_Bond_Stereo_Count	0
24774912	Defined_Bond_Stereo_Count	0
84647715	Defined_Bond_Stereo_Count	0
637084	Total_Formal_Charge	0
3260420	Non-hydrogen_Atom_Count	4
21655019	Exact_Mass	84.032362755
21136466	Total_Formal_Charge	0
66571	Non-hydrogen_Atom_Count	21
6713443	XLogP3-AA	3.3
11438771	Hydrogen_Bond_Donor_Count	0
411862	Isotope_Atom_Count	0
5283547	Undefined_Bond_Stereo_Count	0
513337	Hydrogen_Bond_Donor_Count	8
25215	Exact_Mass	288.1029409
24871267	Rotatable_Bond_Count	8
3482	Rotatable_Bond_Count	1
1306	Defined_Bond_Stereo_Count	0
129846595	Molecular_Weight	1170.0
4432	Hydrogen_Bond_Acceptor_Count	3
122197	Mono_Isotopic_Weight	431.07575
84589	Hydrogen_Bond_Donor_Count	1
616651	Defined_Atom_Stereo_Count	0
446222	Total_Formal_Charge	0
4912932	Covalent_Unit_Count	1
60653	Undefined_Atom_Stereo_Count	1
60794	Structure_Complexity	1470
4146595	Structure_Complexity	169
44454	Undefined_Bond_Stereo_Count	0
5311345	Undefined_Atom_Stereo_Count	0
121396	Defined_Atom_Stereo_Count	1
16850	Exact_Mass	332.06847348
414248	Total_Formal_Charge	1
119025724	Exact_Mass	909.93464
13973648	Non-hydrogen_Atom_Count	10
129600765	Covalent_Unit_Count	1
693318	Structure_Complexity	251
157690	Isotope_Atom_Count	0
22956467	Total_Formal_Charge	2
124514	Isotope_Atom_Count	0
17995818	Structure_Complexity	94.4
36382	Hydrogen_Bond_Acceptor_Count	1
439356	Non-hydrogen_Atom_Count	15
129859073	Defined_Bond_Stereo_Count	0
87254	Hydrogen_Bond_Donor_Count	1
88906574	Undefined_Atom_Stereo_Count	0
9664	XLogP3-AA	1.5
76223462	Isotope_Atom_Count	0
4201	Covalent_Unit_Count	1
303830	Hydrogen_Bond_Donor_Count	0
44352805	Mono_Isotopic_Weight	519.14640670
83303	Exact_Mass	112.052429494
16690	TPSA	0
131869249	Hydrogen_Bond_Donor_Count	0
17779323	Hydrogen_Bond_Acceptor_Count	1
28264	Isotope_Atom_Count	0
161105	Defined_Bond_Stereo_Count	0
13761354	Molecular_Weight	112.17
7413	Hydrogen_Bond_Acceptor_Count	2
610978	Exact_Mass	209.95411
5402	Defined_Atom_Stereo_Count	0
77463	TPSA	9.7
29878	Total_Formal_Charge	0
123161	Hydrogen_Bond_Acceptor_Count	0
94675	Rotatable_Bond_Count	3
33068	Hydrogen_Bond_Donor_Count	1
14146878	Defined_Bond_Stereo_Count	0
25127	Exact_Mass	193.110278721
46204457	Undefined_Bond_Stereo_Count	0
15287162	Structure_Complexity	735
4921934	Isotope_Atom_Count	0
3678	Non-hydrogen_Atom_Count	21
79267	Undefined_Bond_Stereo_Count	0
114840	Defined_Bond_Stereo_Count	0
171296	Exact_Mass	291.1138399
6451257	XLogP3	0.9
4460493	Hydrogen_Bond_Acceptor_Count	3
554363	Hydrogen_Bond_Acceptor_Count	3
92041	Mono_Isotopic_Weight	158.04915563
55855	Exact_Mass	280.157563266
10246505	Hydrogen_Bond_Donor_Count	3
513	Molecular_Weight	206.15
221881	TPSA	18.5
23894	Exact_Mass	249.93841509
157903531	Structure_Complexity	88.1
6321412	XLogP3	0.2
11442	Undefined_Bond_Stereo_Count	0
136231689	Covalent_Unit_Count	1
475319	Isotope_Atom_Count	0
13950368	Exact_Mass	98.036779430
22754629	XLogP3-AA	0.5
17807203	Total_Formal_Charge	0
67248272	Hydrogen_Bond_Acceptor_Count	2
26130	Rotatable_Bond_Count	1
12942137	Molecular_Weight	301.5
78408892	TPSA	49.7
448372	Covalent_Unit_Count	1
3366	Total_Formal_Charge	0
122662800	Defined_Atom_Stereo_Count	0
11161534	Non-hydrogen_Atom_Count	20
139256539	Defined_Atom_Stereo_Count	5
175988	Tautomer_Count	1
10180182	Hydrogen_Bond_Acceptor_Count	3
153722581	Isotope_Atom_Count	0
3037798	Undefined_Bond_Stereo_Count	0
9371	Defined_Bond_Stereo_Count	0
21883050	Hydrogen_Bond_Donor_Count	1
5353636	Mono_Isotopic_Weight	225.03857033
44201343	Hydrogen_Bond_Donor_Count	106
6537213	Structure_Complexity	548
6857473	Defined_Bond_Stereo_Count	0
8246	Mono_Isotopic_Weight	302.06299
24131	Mono_Isotopic_Weight	304.03315060
50397	Non-hydrogen_Atom_Count	12
59110799	Non-hydrogen_Atom_Count	24
34553	Covalent_Unit_Count	1
521300	Non-hydrogen_Atom_Count	6
3062280	Rotatable_Bond_Count	8
12425338	Undefined_Bond_Stereo_Count	0
40521	Exact_Mass	335.0724492
12201381	Undefined_Atom_Stereo_Count	0
147895	TPSA	231
118701038	Exact_Mass	363.872766
14660056	Non-hydrogen_Atom_Count	7
90943885	Exact_Mass	110.109550447
9834478	Hydrogen_Bond_Donor_Count	3
36357	Exact_Mass	352.21105539
22805729	Defined_Atom_Stereo_Count	1
63826	Tautomer_Count	50
9639	Molecular_Weight	338.04
13439	Hydrogen_Bond_Donor_Count	0
135426867	Tautomer_Count	26
25235992	Undefined_Atom_Stereo_Count	1
25142172	Total_Formal_Charge	0
447480	Defined_Atom_Stereo_Count	0
13257	Total_Formal_Charge	0
5878	Defined_Bond_Stereo_Count	0
10029385	Structure_Complexity	1030
134056	Molecular_Weight	298.4
104285	Mono_Isotopic_Weight	213.99783514
56673690	Structure_Complexity	742
72955	Exact_Mass	642.21598512
29385	Hydrogen_Bond_Donor_Count	0
22392829	Undefined_Bond_Stereo_Count	0
9832447	Molecular_Weight	502.6
73957	Defined_Atom_Stereo_Count	0
216466	Non-hydrogen_Atom_Count	30
24884773	Isotope_Atom_Count	0
85939688	XLogP3	5.8
95187	Hydrogen_Bond_Acceptor_Count	4
402827	Hydrogen_Bond_Acceptor_Count	9
42614	Non-hydrogen_Atom_Count	14
8877	Covalent_Unit_Count	3
2843	Non-hydrogen_Atom_Count	45
3651	Defined_Bond_Stereo_Count	0
6416	Total_Formal_Charge	0
14494974	XLogP3-AA	0.9
135408714	Defined_Atom_Stereo_Count	0
112265	Structure_Complexity	72.5
60196264	TPSA	556
12313817	Hydrogen_Bond_Donor_Count	0
11749	Rotatable_Bond_Count	1
90779122	Undefined_Bond_Stereo_Count	0
47328	Tautomer_Count	2
5281769	Defined_Atom_Stereo_Count	4
89785	TPSA	97.6
6436541	TPSA	35.9
5364759	Total_Formal_Charge	0
13990016	Isotope_Atom_Count	0
57174031	XLogP3	3.8
61184	Structure_Complexity	86.9
46916280	Total_Formal_Charge	0
3017434	Undefined_Bond_Stereo_Count	0
11446305	Structure_Complexity	113
5458497	Defined_Bond_Stereo_Count	1
12656387	Rotatable_Bond_Count	0
9840857	Total_Formal_Charge	0
10474	Hydrogen_Bond_Donor_Count	0
18100	Rotatable_Bond_Count	1
11332471	Mono_Isotopic_Weight	128.04489933
91746262	Exact_Mass	342.11621151
71215	Exact_Mass	475.909940
83872	Exact_Mass	258.11504700
225609	Total_Formal_Charge	0
69396	Mono_Isotopic_Weight	117.078978594
6328163	Exact_Mass	500.0545926
6999801	Molecular_Weight	102.17
866400	Exact_Mass	312.10225383
10297065	Mono_Isotopic_Weight	441.06062622
39834	TPSA	57.6
34591	Defined_Bond_Stereo_Count	0
8388	Covalent_Unit_Count	1
20172	Isotope_Atom_Count	0
123385140	Hydrogen_Bond_Acceptor_Count	1
12774755	Defined_Bond_Stereo_Count	0
121290492	Hydrogen_Bond_Donor_Count	8
96910	Molecular_Weight	281.33
3739682	Undefined_Atom_Stereo_Count	0
725692	Total_Formal_Charge	0
16750600	Structure_Complexity	135
16726630	TPSA	86
13275541	Hydrogen_Bond_Donor_Count	1
11142	TPSA	0
4255	Undefined_Bond_Stereo_Count	0
3775	Undefined_Atom_Stereo_Count	0
68015385	Total_Formal_Charge	0
27697	Exact_Mass	201.151749610
6437842	Isotope_Atom_Count	0
83	Molecular_Weight	152.04
16739648	Non-hydrogen_Atom_Count	24
534838	Isotope_Atom_Count	0
71406	Hydrogen_Bond_Donor_Count	1
76619	Defined_Bond_Stereo_Count	0
25025505	Rotatable_Bond_Count	7
12031	Defined_Atom_Stereo_Count	0
63546	Covalent_Unit_Count	1
11590255	Total_Formal_Charge	0
1365	Defined_Atom_Stereo_Count	0
42095	Hydrogen_Bond_Acceptor_Count	5
136892	TPSA	38.3
105421	Structure_Complexity	207
112072	Defined_Bond_Stereo_Count	0
87409	Defined_Bond_Stereo_Count	0
7045654	Total_Formal_Charge	1
69332601	Covalent_Unit_Count	1
46780884	Total_Formal_Charge	0
21889836	Structure_Complexity	1240
5064267	Covalent_Unit_Count	1
6024631	Defined_Bond_Stereo_Count	1
24182786	Tautomer_Count	2
10772946	Hydrogen_Bond_Donor_Count	0
23278715	Exact_Mass	620.35923573
5280934	Covalent_Unit_Count	1
44567678	Exact_Mass	1814.6085580
139444	Undefined_Atom_Stereo_Count	4
8697	Molecular_Weight	144.21
135398510	Tautomer_Count	36
426	Tautomer_Count	2
71681318	Undefined_Atom_Stereo_Count	2
129891	Non-hydrogen_Atom_Count	10
119570	Non-hydrogen_Atom_Count	14
8437	Tautomer_Count	1
4363	Isotope_Atom_Count	0
135413546	Mono_Isotopic_Weight	323.00179
16773	Molecular_Weight	377.3
610169	TPSA	26
16137271	Non-hydrogen_Atom_Count	413
139056	Exact_Mass	108.093900383
10613	Structure_Complexity	246
138971	Hydrogen_Bond_Donor_Count	0
10029970	Undefined_Atom_Stereo_Count	1
2735122	Hydrogen_Bond_Donor_Count	0
121232443	Undefined_Atom_Stereo_Count	0
277990	TPSA	37.4
15558642	Molecular_Weight	177.22
16836	Hydrogen_Bond_Acceptor_Count	5
8722	Undefined_Bond_Stereo_Count	0
23422066	Exact_Mass	162.05416083
44571221	Non-hydrogen_Atom_Count	30
179697	Undefined_Bond_Stereo_Count	0
61389	Structure_Complexity	971
637511	Mono_Isotopic_Weight	132.057514874
14720269	Tautomer_Count	1
139307343	Covalent_Unit_Count	1
893947	Isotope_Atom_Count	0
71587119	Non-hydrogen_Atom_Count	40
87505	Defined_Atom_Stereo_Count	1
135445969	Isotope_Atom_Count	0
134129703	Rotatable_Bond_Count	16
9570639	Total_Formal_Charge	0
67619	Molecular_Weight	206.06
46919879	Defined_Bond_Stereo_Count	0
14459508	Hydrogen_Bond_Donor_Count	1
19349372	Exact_Mass	85.089149355
134	XLogP3-AA	0.1
135410914	Covalent_Unit_Count	1
74735	Undefined_Atom_Stereo_Count	0
18704550	Defined_Atom_Stereo_Count	0
9549904	Hydrogen_Bond_Donor_Count	7
103648	TPSA	17.1
126843213	Hydrogen_Bond_Acceptor_Count	91
9794842	Hydrogen_Bond_Acceptor_Count	2
3702	Hydrogen_Bond_Donor_Count	2
32767	XLogP3-AA	3.6
14260	Isotope_Atom_Count	0
28837	Defined_Atom_Stereo_Count	0
88953	Rotatable_Bond_Count	7
21672	XLogP3	5.5
5461103	Hydrogen_Bond_Acceptor_Count	5
51712	TPSA	52.6
636398	Hydrogen_Bond_Acceptor_Count	7
81798	Rotatable_Bond_Count	6
143694905	Non-hydrogen_Atom_Count	7
73653998	Undefined_Atom_Stereo_Count	1
4369496	Isotope_Atom_Count	0
60196433	Molecular_Weight	894.0
3486729	Isotope_Atom_Count	0
53828439	Undefined_Atom_Stereo_Count	0
138655	Non-hydrogen_Atom_Count	6
3014295	Total_Formal_Charge	0
11115	Molecular_Weight	236.31
13271066	Hydrogen_Bond_Acceptor_Count	7
549097	Isotope_Atom_Count	0
4298216	TPSA	0
146681110	Covalent_Unit_Count	1
12749	XLogP3	0.2
4668904	Mono_Isotopic_Weight	241.8703672
10552	Undefined_Atom_Stereo_Count	0
4807	Undefined_Atom_Stereo_Count	0
13247016	Undefined_Bond_Stereo_Count	0
9967055	Hydrogen_Bond_Donor_Count	1
13652129	Non-hydrogen_Atom_Count	3
46836890	TPSA	84.9
5315472	Total_Formal_Charge	0
139042762	Defined_Bond_Stereo_Count	0
136090	Mono_Isotopic_Weight	104.062600255
19494	Undefined_Atom_Stereo_Count	0
67602	TPSA	0
90355769	Hydrogen_Bond_Donor_Count	1
4354	Exact_Mass	260.94017
9548889	Exact_Mass	305.033937
23725051	Structure_Complexity	237
139588352	Rotatable_Bond_Count	12
9143	TPSA	0
91301203	Isotope_Atom_Count	0
70688149	Covalent_Unit_Count	1
5288606	Molecular_Weight	259.09
4447605	Hydrogen_Bond_Acceptor_Count	3
8667	Undefined_Bond_Stereo_Count	0
92326	Exact_Mass	268.157563266
22174896	Defined_Atom_Stereo_Count	0
5479	Undefined_Bond_Stereo_Count	0
29510	Non-hydrogen_Atom_Count	11
16204922	Molecular_Weight	330.3
24451	Hydrogen_Bond_Donor_Count	2
5282761	Isotope_Atom_Count	0
3032307	Molecular_Weight	288.4
81540	Defined_Bond_Stereo_Count	0
137018	Tautomer_Count	1
8490	Mono_Isotopic_Weight	222.03488193
335	Mono_Isotopic_Weight	108.057514874
17930361	Total_Formal_Charge	0
37631	Rotatable_Bond_Count	0
83859	Total_Formal_Charge	0
688323	Exact_Mass	238.204513457
99416	Hydrogen_Bond_Donor_Count	2
6436860	Hydrogen_Bond_Donor_Count	1
21452207	Mono_Isotopic_Weight	96.057514874
47297	Defined_Atom_Stereo_Count	0
5280343	Mono_Isotopic_Weight	302.04265265
60702934	Covalent_Unit_Count	1
6437877	Defined_Bond_Stereo_Count	2
54746485	Total_Formal_Charge	0
547096	Hydrogen_Bond_Acceptor_Count	1
10197643	Exact_Mass	103.063328530
87255468	TPSA	229
2243	Total_Formal_Charge	0
6922	Hydrogen_Bond_Donor_Count	1
70694392	Rotatable_Bond_Count	5
97523	Undefined_Atom_Stereo_Count	0
44348524	Mono_Isotopic_Weight	416.32904526
67486	Structure_Complexity	193
656635	Hydrogen_Bond_Donor_Count	4
400189	Covalent_Unit_Count	1
60529	Exact_Mass	281.1182566
119097293	Undefined_Bond_Stereo_Count	0
104902	Total_Formal_Charge	0
72823952	Undefined_Atom_Stereo_Count	2
123273783	Mono_Isotopic_Weight	106.078250319
16719	Undefined_Atom_Stereo_Count	0
18391	Rotatable_Bond_Count	1
64980	XLogP3-AA	6.2
143159723	XLogP3-AA	1
529264	TPSA	29.5
669	Covalent_Unit_Count	1
5350	Hydrogen_Bond_Donor_Count	0
21080	Structure_Complexity	348
5748845	Hydrogen_Bond_Acceptor_Count	12
702695	Molecular_Weight	183.12
48346	Covalent_Unit_Count	1
61917	Undefined_Atom_Stereo_Count	2
5887	TPSA	31.8
306862	XLogP3-AA	5.7
25078015	Exact_Mass	1535.68521428
974	Tautomer_Count	2
70314955	Molecular_Weight	112.09
10046647	Rotatable_Bond_Count	5
6314185	Rotatable_Bond_Count	7
140211	Undefined_Atom_Stereo_Count	0
5459830	Undefined_Bond_Stereo_Count	0
56658437	Total_Formal_Charge	0
9805635	Covalent_Unit_Count	1
59901542	Molecular_Weight	19.057
25154200	Total_Formal_Charge	0
14740383	Hydrogen_Bond_Donor_Count	0
25572	Defined_Bond_Stereo_Count	0
70697352	Total_Formal_Charge	0
5459973	Rotatable_Bond_Count	1
4916	Total_Formal_Charge	0
202	Isotope_Atom_Count	0
7098630	Total_Formal_Charge	0
156618042	Defined_Atom_Stereo_Count	10
17855362	Hydrogen_Bond_Acceptor_Count	2
15950520	XLogP3-AA	1.6
78422653	Covalent_Unit_Count	1
24530	Mono_Isotopic_Weight	43.017047045
149127983	Defined_Bond_Stereo_Count	0
44392148	Rotatable_Bond_Count	9
169682	Mono_Isotopic_Weight	200.06194880
729	Exact_Mass	169.99802494
73110	TPSA	146
45120354	Hydrogen_Bond_Acceptor_Count	2
20129993	TPSA	46.2
76955	Molecular_Weight	149.15
58550596	Isotope_Atom_Count	0
8119	Isotope_Atom_Count	0
13224	Total_Formal_Charge	0
13545127	TPSA	72.3
4984721	Defined_Bond_Stereo_Count	0
18397995	Mono_Isotopic_Weight	645.24801352
77266	XLogP3-AA	7.4
17208	Covalent_Unit_Count	1
557171	Covalent_Unit_Count	1
44474	Undefined_Atom_Stereo_Count	2
82717	TPSA	115
22614138	Non-hydrogen_Atom_Count	8
40666	TPSA	23.5
35384	Defined_Bond_Stereo_Count	0
9539	Defined_Atom_Stereo_Count	0
10558601	Hydrogen_Bond_Acceptor_Count	2
439569	Isotope_Atom_Count	0
87639	Hydrogen_Bond_Acceptor_Count	0
34665	Isotope_Atom_Count	0
19507	Mono_Isotopic_Weight	125.084063974
5281099	Exact_Mass	665.30474055
102148036	Exact_Mass	338.16304257
10153998	Defined_Bond_Stereo_Count	0
1560	Non-hydrogen_Atom_Count	19
102515495	Molecular_Weight	300.37
570603	Mono_Isotopic_Weight	106.053098200
9957	XLogP3	0.9
89844	Molecular_Weight	558.0
439182	Molecular_Weight	251.24
10621	Non-hydrogen_Atom_Count	43
133562676	XLogP3-AA	4.1
63503	Defined_Bond_Stereo_Count	0
5940153	Undefined_Bond_Stereo_Count	0
23160059	Tautomer_Count	1
524646	Defined_Atom_Stereo_Count	0
2570	Defined_Bond_Stereo_Count	0
76704897	Undefined_Bond_Stereo_Count	0
342403	Mono_Isotopic_Weight	137.047678466
15286	Covalent_Unit_Count	1
23235	XLogP3	4.9
147193	Molecular_Weight	199.04
8691	Molecular_Weight	249.70
16401027	Total_Formal_Charge	0
197883	Molecular_Weight	182.2
161091	Undefined_Atom_Stereo_Count	0
52195	Mono_Isotopic_Weight	308.188863393
123619430	Total_Formal_Charge	0
7848	Undefined_Bond_Stereo_Count	0
12799845	Isotope_Atom_Count	0
53952576	Structure_Complexity	78
2356882	Defined_Bond_Stereo_Count	0
52942503	Mono_Isotopic_Weight	385.0418534
633097	XLogP3	2.5
20138	Defined_Atom_Stereo_Count	0
118318030	Non-hydrogen_Atom_Count	36
8407	XLogP3	3.7
13032	Total_Formal_Charge	0
12285886	Isotope_Atom_Count	1
25150857	Defined_Bond_Stereo_Count	0
443311	Structure_Complexity	680
23703979	Hydrogen_Bond_Acceptor_Count	9
6610296	TPSA	279
5702098	Undefined_Bond_Stereo_Count	0
104916	TPSA	45.2
2060890	Exact_Mass	342.0771200
19932705	Non-hydrogen_Atom_Count	8
22057009	Hydrogen_Bond_Acceptor_Count	4
6077765	Defined_Bond_Stereo_Count	1
5288998	Isotope_Atom_Count	0
129853561	Total_Formal_Charge	0
72199540	Structure_Complexity	1040
99564	Defined_Bond_Stereo_Count	0
71117	Undefined_Atom_Stereo_Count	0
44338970	Hydrogen_Bond_Donor_Count	3
42609610	Covalent_Unit_Count	2
74724	Rotatable_Bond_Count	2
8154	TPSA	0
4428	TPSA	70
8374	Total_Formal_Charge	0
18424867	Exact_Mass	101.022526347
56659843	Structure_Complexity	659
521962	XLogP3-AA	3.2
25144319	Hydrogen_Bond_Acceptor_Count	10
36565	Defined_Atom_Stereo_Count	0
177870	Exact_Mass	341.875353
14528849	XLogP3-AA	1
72200674	Covalent_Unit_Count	1
118388035	TPSA	104
161209	Undefined_Atom_Stereo_Count	1
5362420	XLogP3-AA	4.9
24755478	TPSA	166
129636908	Covalent_Unit_Count	2
13379559	Structure_Complexity	111
22805729	Molecular_Weight	464.5
9105	Exact_Mass	402.140850574
91026652	Exact_Mass	112.063662883
22660626	Rotatable_Bond_Count	0
12578535	Defined_Bond_Stereo_Count	0
413505	Non-hydrogen_Atom_Count	13
87985965	Covalent_Unit_Count	1
8658	Covalent_Unit_Count	1
36523	Isotope_Atom_Count	0
20648899	Non-hydrogen_Atom_Count	8
5353831	Molecular_Weight	331.5
44450793	Isotope_Atom_Count	0
83895	Hydrogen_Bond_Donor_Count	2
70355	Non-hydrogen_Atom_Count	15
67497	XLogP3-AA	3.9
11347670	Exact_Mass	317.152812238
323188	Covalent_Unit_Count	1
15130827	Rotatable_Bond_Count	6
71571512	Non-hydrogen_Atom_Count	36
63974	Total_Formal_Charge	0
5284441	Hydrogen_Bond_Acceptor_Count	2
458186	Undefined_Atom_Stereo_Count	0
70255	TPSA	17.8
46202081	Defined_Bond_Stereo_Count	0
5287855	Hydrogen_Bond_Acceptor_Count	7
90498	Covalent_Unit_Count	1
5323927	TPSA	25.7
57401682	Undefined_Atom_Stereo_Count	0
79008	Isotope_Atom_Count	0
5361917	Covalent_Unit_Count	2
6947362	Mono_Isotopic_Weight	322.168127949
49787001	Molecular_Weight	446.4
71128	Structure_Complexity	348
54472110	Defined_Bond_Stereo_Count	0
164164517	Exact_Mass	99.068413911
11412777	Undefined_Bond_Stereo_Count	0
47932	Covalent_Unit_Count	3
692670	Structure_Complexity	432
19017814	Hydrogen_Bond_Donor_Count	1
12529300	TPSA	26
163326	Covalent_Unit_Count	1
15575	Undefined_Bond_Stereo_Count	0
14968895	Non-hydrogen_Atom_Count	8
6852167	Tautomer_Count	5
66136	Total_Formal_Charge	0
1211	Undefined_Atom_Stereo_Count	2
89770232	Hydrogen_Bond_Acceptor_Count	11
12888377	Mono_Isotopic_Weight	109.063997236
35911	Covalent_Unit_Count	1
6335436	Defined_Atom_Stereo_Count	4
135515430	Undefined_Bond_Stereo_Count	0
700865	Hydrogen_Bond_Donor_Count	0
67317342	Total_Formal_Charge	0
123936	Molecular_Weight	281.33
11263492	TPSA	9.2
3082052	Defined_Atom_Stereo_Count	3
57438703	Undefined_Atom_Stereo_Count	0
57104	Total_Formal_Charge	0
84072504	Exact_Mass	113.047678466
138107	Undefined_Bond_Stereo_Count	0
61196	Total_Formal_Charge	0
56955068	Undefined_Bond_Stereo_Count	0
74089	Isotope_Atom_Count	0
6842999	XLogP3-AA	1.3
4604180	Defined_Atom_Stereo_Count	0
139061453	Rotatable_Bond_Count	0
82058	Undefined_Bond_Stereo_Count	0
5743396	Mono_Isotopic_Weight	113.02992040
12132	Hydrogen_Bond_Acceptor_Count	1
93005	Tautomer_Count	2
71602803	Exact_Mass	337.14264148
5224206	Molecular_Weight	91.13
23729769	Structure_Complexity	613
28213	Rotatable_Bond_Count	7
50914976	Structure_Complexity	535
61044	Tautomer_Count	1
7131616	TPSA	41.1
6245	Defined_Atom_Stereo_Count	4
13915315	Defined_Atom_Stereo_Count	0
12178	Non-hydrogen_Atom_Count	7
71560031	Non-hydrogen_Atom_Count	33
12656387	XLogP3-AA	0
58863022	Mono_Isotopic_Weight	342.11621151
10478302	Defined_Atom_Stereo_Count	0
89484493	Defined_Atom_Stereo_Count	0
12936856	Non-hydrogen_Atom_Count	7
10493	Molecular_Weight	548.7
23263	Mono_Isotopic_Weight	234.090546336
46931005	Total_Formal_Charge	0
84072909	Rotatable_Bond_Count	1
24556	Molecular_Weight	104.079
2130	Molecular_Weight	151.25
59743205	Total_Formal_Charge	0
6386647	Tautomer_Count	3
2734233	TPSA	8.8
22817455	Undefined_Atom_Stereo_Count	0
77232	Structure_Complexity	85.7
12686	Undefined_Bond_Stereo_Count	0
23704143	Undefined_Atom_Stereo_Count	0
11979961	Undefined_Atom_Stereo_Count	0
16211409	Hydrogen_Bond_Donor_Count	0
6433415	Undefined_Bond_Stereo_Count	0
89283371	Undefined_Atom_Stereo_Count	0
11839	Hydrogen_Bond_Acceptor_Count	1
49866505	Total_Formal_Charge	0
50627	Isotope_Atom_Count	0
53672	Tautomer_Count	1
73920	Covalent_Unit_Count	1
2526	Hydrogen_Bond_Acceptor_Count	6
7672	Undefined_Bond_Stereo_Count	0
130918	Isotope_Atom_Count	0
271488	Exact_Mass	360.339216023
22564561	Structure_Complexity	113
71812105	Undefined_Atom_Stereo_Count	1
53675483	Exact_Mass	416.32904526
122877	TPSA	138
10161305	XLogP3-AA	3.4
712078	Total_Formal_Charge	0
736500	Mono_Isotopic_Weight	162.01393598
5417	Covalent_Unit_Count	1
135472946	Rotatable_Bond_Count	7
23269081	XLogP3-AA	2.2
5977	Undefined_Atom_Stereo_Count	0
126961192	Undefined_Bond_Stereo_Count	0
448400	Undefined_Atom_Stereo_Count	0
148573599	Hydrogen_Bond_Acceptor_Count	0
193214	Molecular_Weight	116.11
11159325	Defined_Atom_Stereo_Count	0
66383	Undefined_Bond_Stereo_Count	0
564864	Mono_Isotopic_Weight	236.9944134
7372	Hydrogen_Bond_Acceptor_Count	0
80037	Undefined_Bond_Stereo_Count	0
3082781	TPSA	46.3
33184	Undefined_Atom_Stereo_Count	0
7129	Mono_Isotopic_Weight	172.088815002
121249	Covalent_Unit_Count	1
22418719	Total_Formal_Charge	0
64560	Hydrogen_Bond_Donor_Count	0
190217	Hydrogen_Bond_Donor_Count	0
705388	Covalent_Unit_Count	1
129720364	Mono_Isotopic_Weight	283.16443955
443928	XLogP3	2.5
24873157	Defined_Atom_Stereo_Count	0
5288799	Covalent_Unit_Count	1
44338967	XLogP3-AA	2.4
25171876	Molecular_Weight	364.4
12659781	Defined_Atom_Stereo_Count	0
2318095	XLogP3-AA	4.3
17754438	Defined_Atom_Stereo_Count	0
135399833	Hydrogen_Bond_Donor_Count	7
6866	Exact_Mass	196.9799046
3566770	Structure_Complexity	54.3
12250	Defined_Atom_Stereo_Count	0
19043571	XLogP3-AA	0.3
8629	Structure_Complexity	964
18793	Structure_Complexity	166
22174896	Hydrogen_Bond_Acceptor_Count	2
704233	Undefined_Atom_Stereo_Count	0
70681777	XLogP3-AA	2.2
4476692	Undefined_Atom_Stereo_Count	3
20232410	Covalent_Unit_Count	1
664136	Rotatable_Bond_Count	4
12452021	Total_Formal_Charge	0
643985	Defined_Bond_Stereo_Count	0
67495	Exact_Mass	198.05032149
53702849	Mono_Isotopic_Weight	101.047678466
8799	Hydrogen_Bond_Donor_Count	2
12260467	Non-hydrogen_Atom_Count	8
14307964	Undefined_Atom_Stereo_Count	1
24561	Molecular_Weight	143.32
2933256	Hydrogen_Bond_Acceptor_Count	1
92043367	Structure_Complexity	151
18386435	Exact_Mass	116.01095860
25166913	Rotatable_Bond_Count	3
57261612	Structure_Complexity	89.7
6610296	Undefined_Bond_Stereo_Count	1
40469421	Undefined_Atom_Stereo_Count	0
9776841	Molecular_Weight	953.1
20767631	Structure_Complexity	104
699165	Non-hydrogen_Atom_Count	16
6505	Defined_Bond_Stereo_Count	0
68748	Covalent_Unit_Count	1
6441265	Mono_Isotopic_Weight	951.53172079
107689	Structure_Complexity	59.1
5282551	Non-hydrogen_Atom_Count	32
56680337	Hydrogen_Bond_Acceptor_Count	8
78043	Molecular_Weight	112.13
673820	Exact_Mass	276.97721
12077828	Molecular_Weight	348.4
441336	Tautomer_Count	6
6331630	Defined_Bond_Stereo_Count	0
522946	Undefined_Atom_Stereo_Count	0
13296868	Rotatable_Bond_Count	4
16157	Defined_Bond_Stereo_Count	0
119259	Hydrogen_Bond_Acceptor_Count	5
40473166	Isotope_Atom_Count	0
5356697	Defined_Bond_Stereo_Count	1
2734040	Defined_Atom_Stereo_Count	0
3307	Rotatable_Bond_Count	2
99646	Hydrogen_Bond_Donor_Count	0
73619	Rotatable_Bond_Count	3
25917	Defined_Bond_Stereo_Count	0
51253	Isotope_Atom_Count	0
74209	Rotatable_Bond_Count	15
15788366	XLogP3-AA	4.5
658	Isotope_Atom_Count	0
139920	Exact_Mass	116.120115130
135621748	Hydrogen_Bond_Acceptor_Count	2
53393583	Undefined_Bond_Stereo_Count	0
12634653	XLogP3-AA	1.9
19754146	Molecular_Weight	210.23
9797798	TPSA	101
12658	Undefined_Bond_Stereo_Count	2
123208701	Molecular_Weight	99.17
123248	Tautomer_Count	3
5808883	Exact_Mass	872.49220697
10319630	Undefined_Bond_Stereo_Count	0
19918535	Molecular_Weight	97.12
18745	Molecular_Weight	136.19
117768413	TPSA	110
11123355	Structure_Complexity	101
22934413	Non-hydrogen_Atom_Count	8
154734173	Covalent_Unit_Count	1
19757680	TPSA	94.8
86278354	Isotope_Atom_Count	0
12444627	Rotatable_Bond_Count	13
3162	Total_Formal_Charge	0
6535	Covalent_Unit_Count	1
2997881	Molecular_Weight	210.30
5053503	Undefined_Bond_Stereo_Count	0
8961	Non-hydrogen_Atom_Count	11
11731903	Tautomer_Count	1
58357553	Undefined_Bond_Stereo_Count	0
147165509	TPSA	0
129671755	Isotope_Atom_Count	0
14584	Non-hydrogen_Atom_Count	16
565623	Exact_Mass	336.26644501
22323434	Molecular_Weight	466.5
8556	Exact_Mass	334.00074133
18760539	Structure_Complexity	50
468	Structure_Complexity	1040
123725105	Defined_Atom_Stereo_Count	0
12316	Defined_Atom_Stereo_Count	0
56679001	Isotope_Atom_Count	0
439377	Non-hydrogen_Atom_Count	11
85904461	Undefined_Atom_Stereo_Count	4
5037	Covalent_Unit_Count	1
3793	Undefined_Bond_Stereo_Count	0
917	Hydrogen_Bond_Donor_Count	3
135071	Undefined_Bond_Stereo_Count	0
401234	Exact_Mass	192.06472551
119095779	Undefined_Atom_Stereo_Count	0
135608329	Defined_Atom_Stereo_Count	0
138813	XLogP3-AA	0.9
11077077	Undefined_Bond_Stereo_Count	0
54413601	Hydrogen_Bond_Donor_Count	0
6586	XLogP3-AA	1.2
6497	Rotatable_Bond_Count	2
10219406	XLogP3-AA	1.2
34072	Defined_Bond_Stereo_Count	0
10610	XLogP3-AA	3.3
135436543	XLogP3	1.6
11148955	Isotope_Atom_Count	0
71764	Molecular_Weight	425.9
88890	Mono_Isotopic_Weight	280.193948774
246728	TPSA	17.1
134988089	Undefined_Atom_Stereo_Count	2
58044734	Exact_Mass	99.068413911
65115	Defined_Bond_Stereo_Count	0
78297	Defined_Atom_Stereo_Count	0
20607916	Defined_Atom_Stereo_Count	0
145627882	Non-hydrogen_Atom_Count	8
6444186	Non-hydrogen_Atom_Count	69
101012	Mono_Isotopic_Weight	220.98165005
7532	Covalent_Unit_Count	1
122639	Mono_Isotopic_Weight	991.32922577
632910	Exact_Mass	386.260965704
13538284	Mono_Isotopic_Weight	98.059246208
49865355	Defined_Bond_Stereo_Count	0
5311053	Total_Formal_Charge	0
7566942	Structure_Complexity	382
564666	Total_Formal_Charge	0
16732454	Hydrogen_Bond_Donor_Count	2
48229	Non-hydrogen_Atom_Count	30
91667979	Isotope_Atom_Count	4
26660	Hydrogen_Bond_Acceptor_Count	1
805	Undefined_Atom_Stereo_Count	4
87063833	Molecular_Weight	178.76
5279171	Undefined_Bond_Stereo_Count	0
39799	Mono_Isotopic_Weight	483.779990
72886	Total_Formal_Charge	0
28315	Defined_Bond_Stereo_Count	0
9606	Hydrogen_Bond_Donor_Count	0
96316	XLogP3-AA	0.5
49862626	TPSA	57.8
15480320	Undefined_Bond_Stereo_Count	0
23347	Undefined_Bond_Stereo_Count	0
81451	Undefined_Bond_Stereo_Count	0
57713	Hydrogen_Bond_Donor_Count	4
95850	TPSA	67.8
140523	Covalent_Unit_Count	1
70681	Tautomer_Count	1
70065832	Covalent_Unit_Count	1
44443935	Undefined_Bond_Stereo_Count	0
57136075	Molecular_Weight	97.16
1068	XLogP3-AA	0.9
9270	Rotatable_Bond_Count	5
87964902	XLogP3-AA	2.3
16132344	Defined_Atom_Stereo_Count	45
51021	Hydrogen_Bond_Acceptor_Count	5
11497646	Defined_Bond_Stereo_Count	0
71307528	Total_Formal_Charge	0
26747	Rotatable_Bond_Count	7
54	Undefined_Atom_Stereo_Count	6
135618542	Hydrogen_Bond_Acceptor_Count	14
40691	Tautomer_Count	1
2227	Hydrogen_Bond_Donor_Count	4
86278165	Exact_Mass	788.152102
135398633	Molecular_Weight	523.18
20056587	Undefined_Bond_Stereo_Count	0
78590	Undefined_Atom_Stereo_Count	0
2810830	Structure_Complexity	611
11181836	Non-hydrogen_Atom_Count	48
12842598	Mono_Isotopic_Weight	87.068413911
44629522	Molecular_Weight	582.7
10108830	XLogP3-AA	1.7
66257	Structure_Complexity	910
71333816	Isotope_Atom_Count	0
18789128	Exact_Mass	101.047678466
14257662	Isotope_Atom_Count	0
72165228	Total_Formal_Charge	0
56834574	Covalent_Unit_Count	1
12231382	Mono_Isotopic_Weight	114.104465066
11741	Defined_Atom_Stereo_Count	0
51397515	Structure_Complexity	1020
68681268	Rotatable_Bond_Count	7
22408685	Hydrogen_Bond_Acceptor_Count	2
9136	Structure_Complexity	266
13183276	Covalent_Unit_Count	1
16404350	Undefined_Atom_Stereo_Count	9
84398	Rotatable_Bond_Count	2
29455	Isotope_Atom_Count	0
104287	Non-hydrogen_Atom_Count	30
134687037	Covalent_Unit_Count	2
57399909	Undefined_Bond_Stereo_Count	0
518700	Hydrogen_Bond_Donor_Count	0
27531	Total_Formal_Charge	0
22291085	Non-hydrogen_Atom_Count	39
6645	Undefined_Bond_Stereo_Count	0
57392503	Molecular_Weight	403.6
91701304	Mono_Isotopic_Weight	100.027277375
10214378	Covalent_Unit_Count	1
138805	Undefined_Atom_Stereo_Count	2
443111	Exact_Mass	525.24750046
44229138	Defined_Bond_Stereo_Count	0
10192685	Total_Formal_Charge	0
65677	Mono_Isotopic_Weight	288.10964789
146558401	Total_Formal_Charge	0
25203894	Mono_Isotopic_Weight	682.11214
41206	Defined_Bond_Stereo_Count	0
78435478	TPSA	50.8
3251	Undefined_Bond_Stereo_Count	0
98231	Covalent_Unit_Count	1
85673900	Defined_Atom_Stereo_Count	0
45357394	Undefined_Bond_Stereo_Count	0
4548	Defined_Atom_Stereo_Count	0
52948643	Hydrogen_Bond_Acceptor_Count	5
688323	Undefined_Bond_Stereo_Count	0
53970299	Hydrogen_Bond_Acceptor_Count	1
24769	Defined_Atom_Stereo_Count	0
78916	Non-hydrogen_Atom_Count	30
9823224	Total_Formal_Charge	0
72000	Hydrogen_Bond_Acceptor_Count	8
19604	Defined_Bond_Stereo_Count	0
13134933	Total_Formal_Charge	0
3033538	Undefined_Bond_Stereo_Count	0
69690	Isotope_Atom_Count	0
56677003	Exact_Mass	507.1785654
4369579	Hydrogen_Bond_Donor_Count	4
92258	Undefined_Bond_Stereo_Count	0
20658615	Exact_Mass	112.052429494
12305761	Rotatable_Bond_Count	3
19437571	Mono_Isotopic_Weight	112.088815002
11063784	Hydrogen_Bond_Acceptor_Count	5
5289418	Covalent_Unit_Count	1
5464076	Non-hydrogen_Atom_Count	32
7672	Defined_Atom_Stereo_Count	0
70701092	Mono_Isotopic_Weight	199.95853
164946899	Hydrogen_Bond_Donor_Count	3
3084092	Non-hydrogen_Atom_Count	45
23555879	TPSA	21.6
9961469	Undefined_Bond_Stereo_Count	0
446569	Mono_Isotopic_Weight	596.24170406
485482	Molecular_Weight	309.4
340026	Covalent_Unit_Count	1
14740383	Structure_Complexity	78.2
497266	Hydrogen_Bond_Acceptor_Count	10
13867124	Isotope_Atom_Count	0
535857	Hydrogen_Bond_Acceptor_Count	3
25953	Defined_Bond_Stereo_Count	0
13511919	Isotope_Atom_Count	0
237873	Defined_Bond_Stereo_Count	0
97698	Non-hydrogen_Atom_Count	14
282471	Tautomer_Count	3
12947024	Mono_Isotopic_Weight	331.99605
657237	TPSA	140
66417	XLogP3-AA	2.9
6918653	Tautomer_Count	6
11304	Total_Formal_Charge	0
518469	Defined_Bond_Stereo_Count	0
456557	Structure_Complexity	871
3639	Rotatable_Bond_Count	1
7967	Rotatable_Bond_Count	0
6611744	Isotope_Atom_Count	0
445318	Molecular_Weight	292.37
130128865	Defined_Bond_Stereo_Count	0
443604	Non-hydrogen_Atom_Count	34
140519105	Mono_Isotopic_Weight	97.063997236
130509102	TPSA	56
6321340	Undefined_Atom_Stereo_Count	0
44423248	Undefined_Bond_Stereo_Count	0
28064878	Rotatable_Bond_Count	1
5281897	Structure_Complexity	737
293676	TPSA	21.6
10755924	Structure_Complexity	447
13184286	Defined_Bond_Stereo_Count	0
3036507	Hydrogen_Bond_Acceptor_Count	11
134694302	Defined_Bond_Stereo_Count	0
57397810	Undefined_Bond_Stereo_Count	0
21824035	Hydrogen_Bond_Acceptor_Count	3
16667669	Hydrogen_Bond_Acceptor_Count	10
12054557	Total_Formal_Charge	0
394397	Exact_Mass	265.01572689
58125087	Molecular_Weight	109.13
64991794	Isotope_Atom_Count	0
447196	Tautomer_Count	3
129317846	Mono_Isotopic_Weight	1029.60248569
24771777	Hydrogen_Bond_Donor_Count	1
5311211	XLogP3-AA	5
11569967	Structure_Complexity	730
140250071	Total_Formal_Charge	0
640194	Molecular_Weight	234.29
198695	XLogP3-AA	0
88937798	Undefined_Atom_Stereo_Count	0
95809	TPSA	0
123133871	XLogP3	0.9
10622871	XLogP3-AA	1.6
140809	Structure_Complexity	54.9
1227	XLogP3-AA	0.3
10100	Defined_Bond_Stereo_Count	0
212	Undefined_Atom_Stereo_Count	4
22291085	Mono_Isotopic_Weight	522.22670545
46783812	Defined_Bond_Stereo_Count	0
9233	Undefined_Atom_Stereo_Count	0
5850	Structure_Complexity	201
66545764	Rotatable_Bond_Count	8
5813717	Undefined_Atom_Stereo_Count	0
54022694	Non-hydrogen_Atom_Count	8
39801	Undefined_Atom_Stereo_Count	0
15256279	Structure_Complexity	57.2
12025	Mono_Isotopic_Weight	85.052763847
11271730	Molecular_Weight	388.6
7695	XLogP3	1.9
87474167	TPSA	35.8
26030	Isotope_Atom_Count	0
9160	Hydrogen_Bond_Donor_Count	1
31423	Hydrogen_Bond_Donor_Count	0
76476	Undefined_Atom_Stereo_Count	0
6452830	TPSA	20.2
78601	Hydrogen_Bond_Donor_Count	0
22817455	Isotope_Atom_Count	0
77757	XLogP3-AA	15.6
5477380	XLogP3	5.9
44560807	Covalent_Unit_Count	1
2604	Hydrogen_Bond_Acceptor_Count	4
83669972	XLogP3-AA	0.2
132519	Structure_Complexity	554
59704100	Undefined_Atom_Stereo_Count	2
98490	Defined_Atom_Stereo_Count	0
171375	Defined_Bond_Stereo_Count	0
55290154	Total_Formal_Charge	0
9872780	Rotatable_Bond_Count	8
71226662	Tautomer_Count	6
9874874	Exact_Mass	697.38259695
91694113	Structure_Complexity	298
82502376	Mono_Isotopic_Weight	114.05416083
5282315	Hydrogen_Bond_Donor_Count	4
9798038	Non-hydrogen_Atom_Count	25
139085	XLogP3-AA	3.4
66615678	Covalent_Unit_Count	1
2734040	Hydrogen_Bond_Acceptor_Count	2
11690378	Defined_Atom_Stereo_Count	0
1246044	Structure_Complexity	365
70267	Exact_Mass	123.068413911
5284613	Tautomer_Count	1
23622607	Undefined_Bond_Stereo_Count	0
439255	Hydrogen_Bond_Acceptor_Count	5
14207546	Hydrogen_Bond_Donor_Count	1
58376816	Defined_Bond_Stereo_Count	0
5367460	Exact_Mass	306.255880323
14930278	TPSA	29.5
53671684	Undefined_Bond_Stereo_Count	1
6456015	Tautomer_Count	53
456297	Mono_Isotopic_Weight	569.29082182
14380	Defined_Atom_Stereo_Count	0
49858248	Defined_Atom_Stereo_Count	0
5850	Non-hydrogen_Atom_Count	17
141959525	Structure_Complexity	86.2
54032194	Covalent_Unit_Count	1
11578	Defined_Bond_Stereo_Count	0
3284	Structure_Complexity	220
17174	Isotope_Atom_Count	0
140560	XLogP3-AA	0.5
11721	Covalent_Unit_Count	1
137699188	Covalent_Unit_Count	1
160310226	TPSA	45.6
4180	Molecular_Weight	293.3
69488026	Hydrogen_Bond_Donor_Count	0
30065	Exact_Mass	261.172878976
12561986	Molecular_Weight	92.14
36034	Non-hydrogen_Atom_Count	23
10331863	Mono_Isotopic_Weight	240.10627659
10026007	Total_Formal_Charge	0
12251749	Undefined_Bond_Stereo_Count	0
18600476	Molecular_Weight	362.42
41438	Non-hydrogen_Atom_Count	23
17497	Defined_Atom_Stereo_Count	0
82693	XLogP3	2.9
140655119	Hydrogen_Bond_Acceptor_Count	2
6642	Structure_Complexity	235
12529661	Undefined_Atom_Stereo_Count	0
75828	Defined_Bond_Stereo_Count	0
13224	Structure_Complexity	160
15532	TPSA	89.8
6829	Tautomer_Count	1
162639102	Hydrogen_Bond_Acceptor_Count	11
71584162	Defined_Atom_Stereo_Count	0
131982921	Defined_Atom_Stereo_Count	0
37094	Defined_Atom_Stereo_Count	1
481709	Undefined_Bond_Stereo_Count	0
656842	Structure_Complexity	629
88365	XLogP3	3.9
25014810	Covalent_Unit_Count	1
24860971	Undefined_Atom_Stereo_Count	0
69777	Molecular_Weight	284.23
64498	Mono_Isotopic_Weight	193.146664230
93519	Defined_Atom_Stereo_Count	0
2653	Undefined_Atom_Stereo_Count	2
53898601	Molecular_Weight	116.16
4676	Exact_Mass	339.12527733
71459166	Rotatable_Bond_Count	4
45356876	Hydrogen_Bond_Acceptor_Count	8
135398645	Rotatable_Bond_Count	7
135985157	Defined_Bond_Stereo_Count	0
53720955	Exact_Mass	109.052763847
36131	Non-hydrogen_Atom_Count	24
6053	Structure_Complexity	236
57467561	TPSA	18.5
11260561	Undefined_Atom_Stereo_Count	0
91788	Isotope_Atom_Count	0
543587	Rotatable_Bond_Count	12
44563145	Exact_Mass	382.19173754
963424	Hydrogen_Bond_Donor_Count	1
59792626	Defined_Atom_Stereo_Count	0
102447462	TPSA	110
9837124	Structure_Complexity	37.4
80622	Non-hydrogen_Atom_Count	7
117326	Molecular_Weight	103.16
96707	XLogP3	0
94357	Isotope_Atom_Count	0
439299	Undefined_Bond_Stereo_Count	0
7343	Structure_Complexity	105
688469	Isotope_Atom_Count	0
13223	Mono_Isotopic_Weight	164.047344113
11686903	Covalent_Unit_Count	1
66601	XLogP3-AA	1.2
16659841	Hydrogen_Bond_Donor_Count	3
18370	Exact_Mass	181.03750770
11828754	TPSA	324
22022636	Undefined_Atom_Stereo_Count	0
87454072	Mono_Isotopic_Weight	100.027277375
101417708	Undefined_Bond_Stereo_Count	0
115089	Tautomer_Count	45
136240586	Covalent_Unit_Count	1
71267	Mono_Isotopic_Weight	260.188863393
28003	Defined_Atom_Stereo_Count	0
123630180	Exact_Mass	108.093900383
21503772	Total_Formal_Charge	0
23690453	Defined_Bond_Stereo_Count	0
5360970	Defined_Atom_Stereo_Count	6
1181	Covalent_Unit_Count	1
7657	Structure_Complexity	137
4292413	Molecular_Weight	271.44
18405	TPSA	52.6
65223	Defined_Atom_Stereo_Count	0
60196330	Non-hydrogen_Atom_Count	13
16008685	Total_Formal_Charge	0
12766	Tautomer_Count	1
162291	Molecular_Weight	623.0
529031	Undefined_Bond_Stereo_Count	0
56615438	Undefined_Atom_Stereo_Count	0
131451243	Molecular_Weight	95.10
9322	Defined_Bond_Stereo_Count	0
6432709	Covalent_Unit_Count	1
3003004	Undefined_Atom_Stereo_Count	0
100959353	Rotatable_Bond_Count	7
20067321	Defined_Atom_Stereo_Count	0
2228691	Rotatable_Bond_Count	7
160458	Structure_Complexity	97.1
48276	TPSA	30.7
74576	Hydrogen_Bond_Donor_Count	0
4320947	Undefined_Atom_Stereo_Count	3
7306	Defined_Atom_Stereo_Count	0
101089158	Hydrogen_Bond_Donor_Count	1
400	Hydrogen_Bond_Acceptor_Count	2
54597740	Hydrogen_Bond_Donor_Count	3
5282489	Structure_Complexity	244
946898	Mono_Isotopic_Weight	307.17969569
65099	Exact_Mass	510.15393443
145705672	Rotatable_Bond_Count	10
9264	Undefined_Atom_Stereo_Count	0
52945780	Hydrogen_Bond_Donor_Count	3
6433266	Tautomer_Count	1
151419	Non-hydrogen_Atom_Count	19
54043984	Mono_Isotopic_Weight	202.078250319
23009	TPSA	76.1
6436063	Exact_Mass	366.361014095
42623223	Undefined_Bond_Stereo_Count	0
92333	TPSA	99.4
9877343	Hydrogen_Bond_Donor_Count	0
285375	Rotatable_Bond_Count	2
736	Hydrogen_Bond_Acceptor_Count	6
23667638	Undefined_Atom_Stereo_Count	0
2331	XLogP3	0.6
9920369	Hydrogen_Bond_Donor_Count	0
85760873	XLogP3-AA	2.2
128423	Hydrogen_Bond_Donor_Count	0
65589	Molecular_Weight	296.4
5311047	Undefined_Atom_Stereo_Count	0
841	Hydrogen_Bond_Acceptor_Count	5
145971	XLogP3	0.3
39724	Hydrogen_Bond_Donor_Count	2
21867279	Defined_Bond_Stereo_Count	0
23760141	Covalent_Unit_Count	1
79126	TPSA	40.5
98310	Undefined_Bond_Stereo_Count	0
10429739	XLogP3-AA	3.9
10429254	Defined_Bond_Stereo_Count	4
439518	Structure_Complexity	710
137203329	Structure_Complexity	205
136411312	Exact_Mass	146.048012819
114359	Isotope_Atom_Count	0
4460493	Hydrogen_Bond_Donor_Count	0
119693	Exact_Mass	103.099714038
17776820	Defined_Bond_Stereo_Count	0
23684827	Covalent_Unit_Count	2
5311398	Isotope_Atom_Count	0
135814155	Total_Formal_Charge	0
65483	Total_Formal_Charge	0
135413497	Total_Formal_Charge	0
15214552	Isotope_Atom_Count	0
11558904	Total_Formal_Charge	0
21359	Tautomer_Count	1
11289630	Total_Formal_Charge	0
3081743	Hydrogen_Bond_Acceptor_Count	5
5289517	Defined_Bond_Stereo_Count	0
4627783	TPSA	17.1
5266	Isotope_Atom_Count	0
520802	Tautomer_Count	1
33400	Total_Formal_Charge	0
9823	Hydrogen_Bond_Acceptor_Count	3
20653311	Non-hydrogen_Atom_Count	16
7932	Defined_Atom_Stereo_Count	0
85325038	Hydrogen_Bond_Donor_Count	2
53657	Undefined_Atom_Stereo_Count	0
20979505	Non-hydrogen_Atom_Count	8
10429254	Molecular_Weight	370.5
21720742	Structure_Complexity	98.7
4380	TPSA	12.5
149086	Structure_Complexity	1450
342403	Non-hydrogen_Atom_Count	10
2021	Undefined_Bond_Stereo_Count	0
2947	Hydrogen_Bond_Donor_Count	1
163199229	Mono_Isotopic_Weight	1128.44808525
71117	Isotope_Atom_Count	0
2943	Hydrogen_Bond_Acceptor_Count	4
17811	Undefined_Bond_Stereo_Count	0
173612	Molecular_Weight	481.9
135565082	Exact_Mass	380.11971542
15886	TPSA	125
225	Rotatable_Bond_Count	0
16129620	Covalent_Unit_Count	1
15559311	Exact_Mass	842.51400504
16759173	Isotope_Atom_Count	0
445643	Hydrogen_Bond_Donor_Count	3
54288465	Structure_Complexity	87.7
91563	Mono_Isotopic_Weight	74.036779430
59290	Undefined_Atom_Stereo_Count	5
12255652	Mono_Isotopic_Weight	328.26135963
135455617	Total_Formal_Charge	0
4237	Rotatable_Bond_Count	6
62479	XLogP3-AA	1
51762	Defined_Atom_Stereo_Count	0
73951506	Defined_Atom_Stereo_Count	1
22817455	Undefined_Bond_Stereo_Count	0
18669444	Covalent_Unit_Count	1
135925740	Rotatable_Bond_Count	5
11908385	TPSA	190
10093379	Isotope_Atom_Count	0
5438	Mono_Isotopic_Weight	178.04389344
54422686	Hydrogen_Bond_Donor_Count	1
144550270	Rotatable_Bond_Count	0
45488108	Defined_Atom_Stereo_Count	1
126505488	Isotope_Atom_Count	0
63650	Isotope_Atom_Count	0
2484	XLogP3	6.3
230976	TPSA	89.2
21144838	Undefined_Atom_Stereo_Count	1
142119910	Exact_Mass	180.06338810
6437859	Non-hydrogen_Atom_Count	15
53408681	Rotatable_Bond_Count	1
534258	XLogP3-AA	1.4
7722	Non-hydrogen_Atom_Count	9
91315907	Mono_Isotopic_Weight	97.089149355
81445	Hydrogen_Bond_Donor_Count	1
13052471	Covalent_Unit_Count	1
15273943	Structure_Complexity	82.6
23535	Exact_Mass	273.172878976
41308	Rotatable_Bond_Count	2
13027232	Defined_Atom_Stereo_Count	0
68263	Undefined_Bond_Stereo_Count	0
90628	Covalent_Unit_Count	1
53846427	Molecular_Weight	416.6
60196367	Molecular_Weight	453.5
144686955	Structure_Complexity	382
2803172	Total_Formal_Charge	0
92389	Exact_Mass	264.0301698
2734996	Covalent_Unit_Count	3
58645437	Covalent_Unit_Count	1
163578456	Exact_Mass	115.063328530
557772	TPSA	24.4
23219736	Undefined_Bond_Stereo_Count	0
219522	Hydrogen_Bond_Donor_Count	0
7225	Mono_Isotopic_Weight	133.052763847
106228050	Exact_Mass	111.068413911
145151604	TPSA	56.2
4963	TPSA	143
5289289	XLogP3-AA	1.5
44297456	Hydrogen_Bond_Acceptor_Count	9
71853	Mono_Isotopic_Weight	1525.6353145
91168961	Total_Formal_Charge	0
75412563	Non-hydrogen_Atom_Count	11
2192	Isotope_Atom_Count	0
6432591	Hydrogen_Bond_Donor_Count	0
68638786	Total_Formal_Charge	0
12321786	Undefined_Bond_Stereo_Count	0
1217	Exact_Mass	167.058243149
9890250	Non-hydrogen_Atom_Count	31
377	Defined_Bond_Stereo_Count	0
13334303	Covalent_Unit_Count	1
5330196	Mono_Isotopic_Weight	456.1564330
450	Molecular_Weight	272.4
16219784	Mono_Isotopic_Weight	530.28796829
13058242	Structure_Complexity	144
219608	Defined_Atom_Stereo_Count	0
22967031	Molecular_Weight	115.17
4788452	Covalent_Unit_Count	1
11951725	Total_Formal_Charge	0
55290394	Covalent_Unit_Count	1
134687034	Total_Formal_Charge	0
5361192	Structure_Complexity	327
15535273	Exact_Mass	96.057514874
15179483	Defined_Atom_Stereo_Count	1
1515	Molecular_Weight	224.26
138024	Mono_Isotopic_Weight	106.078250319
13849	Total_Formal_Charge	0
164667083	Undefined_Bond_Stereo_Count	0
86601564	Undefined_Bond_Stereo_Count	0
72155	Isotope_Atom_Count	0
146014417	Covalent_Unit_Count	3
671175	Structure_Complexity	402
524954	Covalent_Unit_Count	1
50313	TPSA	99.1
7827	Undefined_Bond_Stereo_Count	0
6041	Undefined_Atom_Stereo_Count	0
15216102	TPSA	49.3
117938207	Non-hydrogen_Atom_Count	12
21115436	Hydrogen_Bond_Acceptor_Count	4
9609	Non-hydrogen_Atom_Count	5
44207128	XLogP3-AA	7.4
498142	Hydrogen_Bond_Donor_Count	4
721456	Total_Formal_Charge	0
163640634	Undefined_Bond_Stereo_Count	0
17525	Defined_Atom_Stereo_Count	0
905	Hydrogen_Bond_Donor_Count	2
5351457	Molecular_Weight	654.8
4475481	Defined_Bond_Stereo_Count	0
12602	XLogP3-AA	1.5
83826166	Rotatable_Bond_Count	3
95883	Mono_Isotopic_Weight	161.06880783
13003479	Total_Formal_Charge	0
71587953	Isotope_Atom_Count	0
161988362	XLogP3-AA	1.6
152204	Exact_Mass	161.06880783
628127	Structure_Complexity	310
8809	Hydrogen_Bond_Acceptor_Count	5
2804	Non-hydrogen_Atom_Count	22
3340552	Undefined_Atom_Stereo_Count	0
47510	Non-hydrogen_Atom_Count	16
62995	Defined_Bond_Stereo_Count	0
6538982	Rotatable_Bond_Count	11
453326	Exact_Mass	288.0777887
733076	Structure_Complexity	393
137151	Mono_Isotopic_Weight	96.057514874
834	Defined_Atom_Stereo_Count	0
15446403	Exact_Mass	96.057514874
4992033	Total_Formal_Charge	1
120057	Undefined_Bond_Stereo_Count	0
21142	Exact_Mass	178.04773803
594090	TPSA	28.7
63045	Molecular_Weight	448.5
5226	Covalent_Unit_Count	1
67520	Isotope_Atom_Count	0
146157455	Rotatable_Bond_Count	3
85979179	XLogP3-AA	0.7
10245972	Defined_Bond_Stereo_Count	4
129320263	Defined_Bond_Stereo_Count	0
3865578	Structure_Complexity	178
445468	Total_Formal_Charge	0
631271	Molecular_Weight	344.4
153751	Undefined_Atom_Stereo_Count	0
18641	Tautomer_Count	6
24956	Hydrogen_Bond_Acceptor_Count	0
33134	Isotope_Atom_Count	0
12896295	Defined_Bond_Stereo_Count	0
21943184	Hydrogen_Bond_Acceptor_Count	3
70690049	Rotatable_Bond_Count	3
158144361	TPSA	40.5
11185559	XLogP3-AA	4.4
2002	Defined_Bond_Stereo_Count	0
3467	Undefined_Atom_Stereo_Count	13
19938019	Isotope_Atom_Count	0
65832	XLogP3	3.8
2786	Hydrogen_Bond_Donor_Count	4
10930422	Total_Formal_Charge	0
140047825	Exact_Mass	575.09703019
12648080	Molecular_Weight	154.16
8805	Covalent_Unit_Count	1
3514	Non-hydrogen_Atom_Count	22
69677	Rotatable_Bond_Count	0
73918	Molecular_Weight	154.25
51030901	Isotope_Atom_Count	0
249187	Defined_Bond_Stereo_Count	0
9904	Undefined_Atom_Stereo_Count	0
71587428	Covalent_Unit_Count	5
14976739	Mono_Isotopic_Weight	208.0767261
440175	Covalent_Unit_Count	1
704233	Isotope_Atom_Count	0
11013485	Hydrogen_Bond_Donor_Count	1
9049	Molecular_Weight	251.71
45116605	Undefined_Bond_Stereo_Count	0
123392765	Total_Formal_Charge	0
13512560	Isotope_Atom_Count	0
298391	Defined_Bond_Stereo_Count	0
12559	Hydrogen_Bond_Donor_Count	6
139149	Hydrogen_Bond_Acceptor_Count	0
22082539	Non-hydrogen_Atom_Count	8
53326315	Structure_Complexity	648
57750369	Total_Formal_Charge	0
17963227	Undefined_Bond_Stereo_Count	0
10263	Defined_Bond_Stereo_Count	0
71459166	Hydrogen_Bond_Acceptor_Count	4
11182575	TPSA	9.2
9801235	XLogP3-AA	4
55289700	Molecular_Weight	114.15
129229305	Undefined_Bond_Stereo_Count	0
15383909	Hydrogen_Bond_Acceptor_Count	25
20206342	Molecular_Weight	83.09
97725	Undefined_Bond_Stereo_Count	0
54684337	TPSA	182
128682	Exact_Mass	315.173547683
17884	Isotope_Atom_Count	0
67299	Exact_Mass	177.9588348
75588	Undefined_Bond_Stereo_Count	0
115087054	Covalent_Unit_Count	1
644109	Undefined_Atom_Stereo_Count	0
135456058	Undefined_Bond_Stereo_Count	0
16990	Mono_Isotopic_Weight	214.886310
25082538	Isotope_Atom_Count	0
1718	XLogP3-AA	1
32345	Covalent_Unit_Count	1
711468	Isotope_Atom_Count	0
21881166	Undefined_Atom_Stereo_Count	0
140789	Defined_Atom_Stereo_Count	0
446758	TPSA	60.7
54675842	Defined_Atom_Stereo_Count	0
25375	Covalent_Unit_Count	1
162014	Defined_Bond_Stereo_Count	0
72054	Undefined_Bond_Stereo_Count	0
16133850	Hydrogen_Bond_Donor_Count	60
21893625	Defined_Atom_Stereo_Count	0
398663	Hydrogen_Bond_Acceptor_Count	3
24978553	Undefined_Atom_Stereo_Count	0
134694857	Hydrogen_Bond_Acceptor_Count	9
9578570	Tautomer_Count	2
5283313	Hydrogen_Bond_Donor_Count	1
131885396	Defined_Atom_Stereo_Count	0
10093379	Undefined_Bond_Stereo_Count	0
1282	Rotatable_Bond_Count	3
3114	Isotope_Atom_Count	0
11335094	Undefined_Bond_Stereo_Count	0
133478	Total_Formal_Charge	0
129746471	TPSA	21.8
37890	Defined_Bond_Stereo_Count	0
53681289	Exact_Mass	102.079312947
9835049	Undefined_Atom_Stereo_Count	0
6919173	Total_Formal_Charge	0
134129158	Total_Formal_Charge	0
151446	Undefined_Atom_Stereo_Count	1
12200	Structure_Complexity	141
132939820	TPSA	110
68109743	Hydrogen_Bond_Acceptor_Count	6
53322430	Mono_Isotopic_Weight	320.13855916
67314475	Exact_Mass	109.063997236
61082	Hydrogen_Bond_Donor_Count	0
5327	Exact_Mass	278.08374688
3082754	Isotope_Atom_Count	0
48199	Isotope_Atom_Count	0
166450901	Defined_Atom_Stereo_Count	4
11829400	TPSA	54
104806	Covalent_Unit_Count	1
8995	XLogP3	2.6
76716	Molecular_Weight	350.4
58391580	Undefined_Atom_Stereo_Count	6
62258	Isotope_Atom_Count	0
8262	Defined_Atom_Stereo_Count	0
10855428	Isotope_Atom_Count	0
143506727	Exact_Mass	108.093900383
54066875	Structure_Complexity	110
71311382	Structure_Complexity	443
17916	Hydrogen_Bond_Donor_Count	1
57399651	Total_Formal_Charge	0
11332442	Hydrogen_Bond_Acceptor_Count	3
92043446	Defined_Atom_Stereo_Count	4
320459	TPSA	75.1
42865	Hydrogen_Bond_Donor_Count	2
3832	Molecular_Weight	347.33
138564	Covalent_Unit_Count	1
657255	Undefined_Bond_Stereo_Count	0
46783795	Defined_Atom_Stereo_Count	8
7263	Hydrogen_Bond_Donor_Count	2
54173839	Mono_Isotopic_Weight	94.078250319
80510	Defined_Atom_Stereo_Count	0
24397	Hydrogen_Bond_Donor_Count	2
123831	Defined_Atom_Stereo_Count	1
91694	Undefined_Bond_Stereo_Count	0
4005	Rotatable_Bond_Count	5
71762	Tautomer_Count	1001
101888374	Exact_Mass	352.0502366
44342925	Structure_Complexity	371
11560610	Non-hydrogen_Atom_Count	31
57156265	Defined_Bond_Stereo_Count	0
140945	Total_Formal_Charge	0
140181	Undefined_Bond_Stereo_Count	0
133556498	Defined_Atom_Stereo_Count	11
5311425	Isotope_Atom_Count	0
10180182	Molecular_Weight	416.6
13315542	Structure_Complexity	78
4757	Defined_Atom_Stereo_Count	0
44392167	Hydrogen_Bond_Acceptor_Count	5
118897473	XLogP3-AA	6.9
10780	Structure_Complexity	211
4809	Non-hydrogen_Atom_Count	43
154809629	Undefined_Atom_Stereo_Count	0
107	Defined_Bond_Stereo_Count	0
11259	Hydrogen_Bond_Acceptor_Count	4
5154	Structure_Complexity	530
67518639	Hydrogen_Bond_Donor_Count	5
16683004	Exact_Mass	1052.40908
5280757	Molecular_Weight	905.0
6441094	Exact_Mass	1041.58722955
93500	XLogP3	3.4
9817140	Non-hydrogen_Atom_Count	21
267769	Tautomer_Count	1
21547072	Undefined_Atom_Stereo_Count	0
41092	TPSA	17.1
637932	Hydrogen_Bond_Donor_Count	0
53298813	Covalent_Unit_Count	1
141315890	Isotope_Atom_Count	0
549405	Molecular_Weight	111.14
124809078	Defined_Bond_Stereo_Count	0
10648	Non-hydrogen_Atom_Count	16
11712071	TPSA	74.5
123868	Undefined_Bond_Stereo_Count	0
87187677	Covalent_Unit_Count	1
701718	XLogP3-AA	3.3
2879	Mono_Isotopic_Weight	108.057514874
78452	Structure_Complexity	141
97234	XLogP3	1.4
7142	Undefined_Atom_Stereo_Count	0
11587	Covalent_Unit_Count	1
57445155	Covalent_Unit_Count	1
101059324	XLogP3-AA	6.1
27119	Molecular_Weight	216.66
5353830	Non-hydrogen_Atom_Count	17
60946	Structure_Complexity	579
4697	Molecular_Weight	435.6
20387237	Undefined_Atom_Stereo_Count	2
1516	Isotope_Atom_Count	0
40473182	Hydrogen_Bond_Acceptor_Count	5
40476	Non-hydrogen_Atom_Count	19
23305129	Hydrogen_Bond_Donor_Count	4
10295295	Undefined_Bond_Stereo_Count	0
674572	Defined_Bond_Stereo_Count	0
22617237	TPSA	81.5
69342023	Isotope_Atom_Count	0
23892	Defined_Bond_Stereo_Count	0
134834579	Total_Formal_Charge	0
4051541	Hydrogen_Bond_Donor_Count	1
65240	Molecular_Weight	569.6
21492261	Hydrogen_Bond_Acceptor_Count	1
127757	Undefined_Atom_Stereo_Count	0
159652940	Undefined_Atom_Stereo_Count	0
67105	Hydrogen_Bond_Acceptor_Count	2
18626415	Exact_Mass	102.068079557
304497	TPSA	87
15475283	Total_Formal_Charge	0
964856	Defined_Bond_Stereo_Count	0
15273919	Structure_Complexity	80.1
104865	Exact_Mass	551.18385484
45267632	Hydrogen_Bond_Donor_Count	2
542606	XLogP3	0.1
69903	Exact_Mass	207.08954328
87569740	Undefined_Atom_Stereo_Count	0
49836058	Isotope_Atom_Count	0
13531445	XLogP3-AA	0.2
292283	Undefined_Atom_Stereo_Count	0
61024	Defined_Bond_Stereo_Count	0
35912	Exact_Mass	248.152477885
16047027	Molecular_Weight	697.9
23678802	Covalent_Unit_Count	2
37034	Hydrogen_Bond_Acceptor_Count	0
263	Molecular_Weight	74.12
3361	Undefined_Bond_Stereo_Count	0
12210504	Defined_Atom_Stereo_Count	0
19773393	Defined_Atom_Stereo_Count	0
439647	Total_Formal_Charge	0
101218360	Defined_Atom_Stereo_Count	0
33037	Non-hydrogen_Atom_Count	14
45356929	Molecular_Weight	908.9
23182368	Molecular_Weight	100.08
292925	Defined_Atom_Stereo_Count	0
123190012	Defined_Bond_Stereo_Count	0
61032	Undefined_Atom_Stereo_Count	0
554	Defined_Bond_Stereo_Count	0
133126687	Undefined_Bond_Stereo_Count	0
161094262	Structure_Complexity	15.5
18934502	Hydrogen_Bond_Acceptor_Count	2
164675904	Hydrogen_Bond_Acceptor_Count	2
11148	Undefined_Bond_Stereo_Count	0
15683	Covalent_Unit_Count	1
60919	Molecular_Weight	411.5
57656869	Structure_Complexity	514
65872	Defined_Atom_Stereo_Count	2
391	Non-hydrogen_Atom_Count	21
146681255	Isotope_Atom_Count	0
17572160	Molecular_Weight	863.3
153709385	Total_Formal_Charge	0
5199	TPSA	348
24973796	Molecular_Weight	99.13
19549	Undefined_Atom_Stereo_Count	0
117715670	Molecular_Weight	382.9
22015566	Mono_Isotopic_Weight	303.100776666
91768	Tautomer_Count	1
45027815	TPSA	163
44586930	Covalent_Unit_Count	1
67248938	Defined_Bond_Stereo_Count	0
71587119	TPSA	424
588352	Structure_Complexity	296
139088049	Mono_Isotopic_Weight	683.203529
70447162	Hydrogen_Bond_Donor_Count	0
53167	Rotatable_Bond_Count	0
68604	Hydrogen_Bond_Donor_Count	0
69851796	Total_Formal_Charge	0
12746998	Covalent_Unit_Count	1
34303	Mono_Isotopic_Weight	234.198365449
54587596	Non-hydrogen_Atom_Count	32
9821547	Structure_Complexity	485
55284719	Undefined_Atom_Stereo_Count	1
13932052	Rotatable_Bond_Count	1
52007	Total_Formal_Charge	0
4110039	Molecular_Weight	132.16
644020	Rotatable_Bond_Count	0
20517177	Covalent_Unit_Count	1
89033918	Molecular_Weight	108.10
25335	Mono_Isotopic_Weight	199.157228913
662	Total_Formal_Charge	0
11832800	Defined_Atom_Stereo_Count	0
346	Molecular_Weight	272.25
82616	Non-hydrogen_Atom_Count	10
5282367	Mono_Isotopic_Weight	444.302830514
550719	Mono_Isotopic_Weight	110.048012819
104850	Total_Formal_Charge	0
3079842	Isotope_Atom_Count	0
123805	TPSA	380
20395	Rotatable_Bond_Count	8
20352	Tautomer_Count	1
82418997	Defined_Bond_Stereo_Count	0
98051220	Mono_Isotopic_Weight	361.875716
3011527	Non-hydrogen_Atom_Count	26
5355863	Undefined_Bond_Stereo_Count	0
84036	Structure_Complexity	1510
5052860	Defined_Atom_Stereo_Count	0
53411707	Defined_Bond_Stereo_Count	0
9547928	Molecular_Weight	673.9
7921	Structure_Complexity	88.1
6834	Structure_Complexity	249
87254	Undefined_Atom_Stereo_Count	0
95447	TPSA	40.5
10740	Structure_Complexity	160
135406870	Hydrogen_Bond_Acceptor_Count	3
20705517	Undefined_Atom_Stereo_Count	1
20035	XLogP3	2.6
3527278	Defined_Atom_Stereo_Count	0
3123	Undefined_Atom_Stereo_Count	1
11116293	Undefined_Bond_Stereo_Count	0
9843640	Isotope_Atom_Count	0
31157	Rotatable_Bond_Count	1
4587	Hydrogen_Bond_Donor_Count	3
118511060	Defined_Bond_Stereo_Count	0
20685	Exact_Mass	346.18273264
182951	Non-hydrogen_Atom_Count	26
103984	Tautomer_Count	1
2723853	Defined_Bond_Stereo_Count	0
58806244	Defined_Bond_Stereo_Count	0
539829	Exact_Mass	222.08920892
89131	Structure_Complexity	320
79056	Defined_Bond_Stereo_Count	0
9538	TPSA	17.1
54285331	Total_Formal_Charge	0
14890212	Defined_Atom_Stereo_Count	0
59830693	Undefined_Bond_Stereo_Count	0
101609	Covalent_Unit_Count	1
163668741	Structure_Complexity	109
22505043	Mono_Isotopic_Weight	99.068413911
9897412	Structure_Complexity	1370
10957	Rotatable_Bond_Count	3
5283137	Undefined_Bond_Stereo_Count	0
13245088	Non-hydrogen_Atom_Count	8
65374	Rotatable_Bond_Count	5
334447	Non-hydrogen_Atom_Count	16
6740	Mono_Isotopic_Weight	171.0087061
9727	Non-hydrogen_Atom_Count	11
25181577	Undefined_Atom_Stereo_Count	0
91465	TPSA	20.2
60078648	Defined_Bond_Stereo_Count	0
122222714	Undefined_Atom_Stereo_Count	2
66616	Defined_Bond_Stereo_Count	0
237946	Isotope_Atom_Count	0
72200939	Undefined_Atom_Stereo_Count	0
108182	Non-hydrogen_Atom_Count	21
55007	Hydrogen_Bond_Donor_Count	0
3664	TPSA	149
13713368	TPSA	32.8
20056755	Defined_Bond_Stereo_Count	0
5463153	Hydrogen_Bond_Donor_Count	0
31202	TPSA	0
53323739	Isotope_Atom_Count	0
398635	Mono_Isotopic_Weight	361.0730377
85117	Isotope_Atom_Count	0
147201521	Defined_Atom_Stereo_Count	0
65875	Mono_Isotopic_Weight	309.147726857
14025	Hydrogen_Bond_Donor_Count	0
139254081	Defined_Atom_Stereo_Count	6
57417608	Undefined_Bond_Stereo_Count	0
21643653	Isotope_Atom_Count	0
34794	Defined_Atom_Stereo_Count	1
15178986	Total_Formal_Charge	0
28951015	Undefined_Bond_Stereo_Count	0
352114	Undefined_Atom_Stereo_Count	1
83151608	TPSA	20.2
82917	Hydrogen_Bond_Acceptor_Count	2
20281045	Hydrogen_Bond_Donor_Count	0
2762553	Rotatable_Bond_Count	3
80786	Structure_Complexity	273
11208660	Undefined_Bond_Stereo_Count	0
15707	Defined_Bond_Stereo_Count	0
20726704	Hydrogen_Bond_Donor_Count	0
142210	Hydrogen_Bond_Acceptor_Count	3
8562	Non-hydrogen_Atom_Count	19
470375	Undefined_Bond_Stereo_Count	0
1153439	Structure_Complexity	703
16682999	Molecular_Weight	395.10
40466862	Isotope_Atom_Count	0
737157	Structure_Complexity	248
3388710	Defined_Bond_Stereo_Count	0
7540	Rotatable_Bond_Count	6
447956	Defined_Bond_Stereo_Count	0
6150	Structure_Complexity	465
11957756	Defined_Bond_Stereo_Count	0
70686822	Covalent_Unit_Count	1
138394518	Exact_Mass	1388.93119660
23667638	Molecular_Weight	255.97
5311068	Mono_Isotopic_Weight	200.131348519
139588352	Exact_Mass	1314.32434128
6575	Covalent_Unit_Count	1
53442174	Defined_Bond_Stereo_Count	0
444	Non-hydrogen_Atom_Count	16
128626	Hydrogen_Bond_Acceptor_Count	3
24866358	Molecular_Weight	471.9
132252	Mono_Isotopic_Weight	383.0820006
3025721	Hydrogen_Bond_Donor_Count	1
6943688	Covalent_Unit_Count	1
16748289	Molecular_Weight	318.3
24648	XLogP3-AA	1.2
8049	Undefined_Atom_Stereo_Count	0
19933060	TPSA	34.1
1712058	Hydrogen_Bond_Donor_Count	0
114681	Structure_Complexity	105
59819	Total_Formal_Charge	1
80108693	Structure_Complexity	70.1
3827	Isotope_Atom_Count	0
130013569	Isotope_Atom_Count	0
95162564	Non-hydrogen_Atom_Count	23
51030529	Undefined_Bond_Stereo_Count	0
6445562	Hydrogen_Bond_Acceptor_Count	7
19161	Mono_Isotopic_Weight	326.16304257
12674802	TPSA	12.9
163321054	Exact_Mass	1325.35377640
5281168	Hydrogen_Bond_Acceptor_Count	1
520301	Hydrogen_Bond_Donor_Count	1
8672	TPSA	64.9
6917738	Isotope_Atom_Count	0
13046622	Rotatable_Bond_Count	2
5361463	Hydrogen_Bond_Acceptor_Count	3
91067785	Non-hydrogen_Atom_Count	8
141630	Isotope_Atom_Count	0
67379186	Undefined_Atom_Stereo_Count	0
1491	Defined_Atom_Stereo_Count	0
16212984	Non-hydrogen_Atom_Count	8
23724874	TPSA	125
22459	Rotatable_Bond_Count	0
320263	Rotatable_Bond_Count	2
10110	Hydrogen_Bond_Donor_Count	1
59194207	XLogP3-AA	0.7
11519741	Rotatable_Bond_Count	10
140695	Hydrogen_Bond_Donor_Count	0
5283393	Molecular_Weight	303.5
5368451	TPSA	0
21702858	Isotope_Atom_Count	0
66733	Mono_Isotopic_Weight	217.05613515
12585787	Hydrogen_Bond_Acceptor_Count	1
102366731	Rotatable_Bond_Count	3
19077498	XLogP3-AA	4.5
92829	Defined_Atom_Stereo_Count	1
5281575	Covalent_Unit_Count	1
66376	Mono_Isotopic_Weight	132.90591
8501	Isotope_Atom_Count	0
5270576	Molecular_Weight	260.22
5308	Defined_Atom_Stereo_Count	0
104973	Defined_Atom_Stereo_Count	0
118024074	Hydrogen_Bond_Donor_Count	2
27135	Hydrogen_Bond_Acceptor_Count	3
97046	Rotatable_Bond_Count	11
9950094	Molecular_Weight	345.8
15565266	Defined_Bond_Stereo_Count	0
1470718	Defined_Atom_Stereo_Count	0
2762895	Exact_Mass	110.048012819
38706	Defined_Atom_Stereo_Count	0
6962	Non-hydrogen_Atom_Count	16
474523	Defined_Bond_Stereo_Count	0
616631	Exact_Mass	235.12084340
8553	Rotatable_Bond_Count	0
50128	Defined_Atom_Stereo_Count	0
166931	Covalent_Unit_Count	1
137699683	Undefined_Bond_Stereo_Count	0
14899	Rotatable_Bond_Count	10
24901144	TPSA	119
9579050	Rotatable_Bond_Count	4
5360970	TPSA	58.9
2766744	Defined_Atom_Stereo_Count	0
186	Structure_Complexity	133
40468	Rotatable_Bond_Count	1
3872	Undefined_Bond_Stereo_Count	0
8056	Structure_Complexity	17.5
126992483	Covalent_Unit_Count	1
12754	Total_Formal_Charge	0
53846436	TPSA	60.7
52941677	Hydrogen_Bond_Donor_Count	1
36781	Non-hydrogen_Atom_Count	14
681274	Defined_Atom_Stereo_Count	0
3007984	Molecular_Weight	783.9
20607721	Structure_Complexity	96.6
88283211	Defined_Atom_Stereo_Count	0
7213679	Isotope_Atom_Count	0
102692	Structure_Complexity	43.7
317883	Undefined_Bond_Stereo_Count	0
50367	Isotope_Atom_Count	0
21932698	XLogP3-AA	3.8
6436117	Undefined_Atom_Stereo_Count	0
62725	Molecular_Weight	141.24
25457	Total_Formal_Charge	0
15365	Isotope_Atom_Count	0
53322382	Defined_Bond_Stereo_Count	0
86380	Non-hydrogen_Atom_Count	14
94222	Defined_Bond_Stereo_Count	0
108157	Tautomer_Count	1
240119	Defined_Atom_Stereo_Count	0
91486	Total_Formal_Charge	0
14055	Non-hydrogen_Atom_Count	4
88077632	Hydrogen_Bond_Acceptor_Count	1
17832308	Hydrogen_Bond_Donor_Count	1
34338	Total_Formal_Charge	0
13438404	Rotatable_Bond_Count	1
82611	Total_Formal_Charge	0
65612	Tautomer_Count	1
91591	Exact_Mass	143.0137915
134694052	Hydrogen_Bond_Donor_Count	2
894278	Undefined_Bond_Stereo_Count	0
57417230	Hydrogen_Bond_Donor_Count	5
414420	TPSA	26.3
124769753	Covalent_Unit_Count	1
5544	TPSA	115
68075820	Undefined_Atom_Stereo_Count	3
140328	Isotope_Atom_Count	0
478951	Total_Formal_Charge	0
1385	Structure_Complexity	495
10427712	Hydrogen_Bond_Acceptor_Count	8
12734569	Non-hydrogen_Atom_Count	8
12304	Exact_Mass	102.104465066
132779642	Total_Formal_Charge	0
15586	Tautomer_Count	1
4327536	Total_Formal_Charge	0
22447183	Covalent_Unit_Count	1
85844257	TPSA	0
439498	Isotope_Atom_Count	0
457126	XLogP3-AA	0.9
452126	Hydrogen_Bond_Acceptor_Count	9
128814	Defined_Bond_Stereo_Count	0
6136	Hydrogen_Bond_Acceptor_Count	5
746471	Isotope_Atom_Count	0
21122	Mono_Isotopic_Weight	112.125200510
13069	Total_Formal_Charge	0
44563145	Molecular_Weight	382.4
13023574	Hydrogen_Bond_Donor_Count	3
12613538	Total_Formal_Charge	0
80076	Tautomer_Count	1
23676755	Undefined_Bond_Stereo_Count	0
54375073	Covalent_Unit_Count	1
19920	Covalent_Unit_Count	1
447153	Hydrogen_Bond_Donor_Count	1
589209	Hydrogen_Bond_Donor_Count	0
12290	Undefined_Bond_Stereo_Count	0
6497	Non-hydrogen_Atom_Count	7
13316162	Undefined_Atom_Stereo_Count	0
161930	Total_Formal_Charge	0
4274588	Hydrogen_Bond_Acceptor_Count	4
14130	Hydrogen_Bond_Acceptor_Count	3
22719613	Defined_Atom_Stereo_Count	0
17751002	Tautomer_Count	2
84979	Mono_Isotopic_Weight	126.90308
69550	Defined_Atom_Stereo_Count	0
74746	Covalent_Unit_Count	1
1211	XLogP3-AA	6
460602	Molecular_Weight	495.6
62403	Hydrogen_Bond_Donor_Count	15
550814	Mono_Isotopic_Weight	116.083729621
17950293	Mono_Isotopic_Weight	102.0469501914
520901	Undefined_Atom_Stereo_Count	0
23282942	Exact_Mass	98.084398327
14923	Tautomer_Count	1
13349554	Molecular_Weight	110.20
12561666	Covalent_Unit_Count	1
969472	Defined_Atom_Stereo_Count	1
377339	Total_Formal_Charge	0
67246553	Molecular_Weight	372.4
73759809	Hydrogen_Bond_Donor_Count	3
67075257	Defined_Atom_Stereo_Count	0
48104	Undefined_Atom_Stereo_Count	4
91465	Non-hydrogen_Atom_Count	28
12717	Undefined_Bond_Stereo_Count	0
6604893	Defined_Bond_Stereo_Count	2
162236685	Defined_Bond_Stereo_Count	0
11561779	Defined_Atom_Stereo_Count	0
76589	TPSA	55.8
64646	Molecular_Weight	464.8
67258976	Non-hydrogen_Atom_Count	8
34332	Isotope_Atom_Count	0
136219231	XLogP3-AA	5
3851247	Hydrogen_Bond_Acceptor_Count	12
76196	Molecular_Weight	238.3
70774	Non-hydrogen_Atom_Count	11
15904	Molecular_Weight	155.19
23661960	Molecular_Weight	160.21
11213	Defined_Bond_Stereo_Count	0
123558404	Hydrogen_Bond_Donor_Count	0
8658	XLogP3	1.7
95169	TPSA	40.2
50112	Molecular_Weight	1473.6
82718176	Mono_Isotopic_Weight	116.083729621
20696068	Isotope_Atom_Count	0
13884	Molecular_Weight	162.18
24892843	Structure_Complexity	302
14148804	XLogP3-AA	1.4
992	Molecular_Weight	266.3
5288679	Molecular_Weight	384.4
219104	TPSA	79.3
20729526	Total_Formal_Charge	0
2709	Defined_Bond_Stereo_Count	0
413519	Undefined_Bond_Stereo_Count	0
19938786	Non-hydrogen_Atom_Count	8
6024	Rotatable_Bond_Count	7
104745	Hydrogen_Bond_Donor_Count	0
16639	Non-hydrogen_Atom_Count	17
71459165	Mono_Isotopic_Weight	292.16879665
131747	Isotope_Atom_Count	0
13249050	Defined_Atom_Stereo_Count	0
134593	Structure_Complexity	131
10005402	Defined_Bond_Stereo_Count	0
380611	Defined_Atom_Stereo_Count	0
347	Defined_Atom_Stereo_Count	0
70255	Total_Formal_Charge	0
17533	Total_Formal_Charge	0
36082	Hydrogen_Bond_Donor_Count	1
53785673	Undefined_Atom_Stereo_Count	0
15732451	Hydrogen_Bond_Acceptor_Count	3
25164108	Hydrogen_Bond_Donor_Count	3
21684469	Hydrogen_Bond_Acceptor_Count	3
10215	Hydrogen_Bond_Donor_Count	2
134767951	Exact_Mass	303.14705815
36312	TPSA	20.2
123628	Structure_Complexity	369
8221	Total_Formal_Charge	0
21189113	Covalent_Unit_Count	1
11510	Hydrogen_Bond_Donor_Count	2
127757	Isotope_Atom_Count	0
85821	Hydrogen_Bond_Acceptor_Count	2
10443	Rotatable_Bond_Count	0
13877	Defined_Bond_Stereo_Count	0
6436860	Undefined_Atom_Stereo_Count	0
98032	Exact_Mass	238.099379685
13028028	Molecular_Weight	103.12
153816117	Mono_Isotopic_Weight	113.047678466
84720	Molecular_Weight	266.5
44183	Tautomer_Count	1
1613	TPSA	111
11178958	Rotatable_Bond_Count	1
498650	Undefined_Bond_Stereo_Count	1
30552	Tautomer_Count	1
44144429	Structure_Complexity	494
25008	Hydrogen_Bond_Donor_Count	0
2761399	Total_Formal_Charge	0
656575	Covalent_Unit_Count	1
6604365	Hydrogen_Bond_Acceptor_Count	3
83156	XLogP3-AA	0.2
85916	Mono_Isotopic_Weight	100.063662883
2977	Hydrogen_Bond_Donor_Count	1
49798507	XLogP3-AA	1.2
77611871	Non-hydrogen_Atom_Count	8
56962336	Rotatable_Bond_Count	10
23338788	Hydrogen_Bond_Acceptor_Count	2
5479539	Rotatable_Bond_Count	6
5281071	XLogP3	1.5
14758064	Isotope_Atom_Count	0
131428459	Rotatable_Bond_Count	1
23464986	Total_Formal_Charge	0
23622607	Molecular_Weight	503.6
11988	Isotope_Atom_Count	0
25027363	Defined_Atom_Stereo_Count	11
6154	Non-hydrogen_Atom_Count	27
2449	Tautomer_Count	127
220401	Defined_Bond_Stereo_Count	0
64782	XLogP3	1.7
520554	Tautomer_Count	1
73835	Structure_Complexity	117
79128	XLogP3-AA	2.3
24833843	Molecular_Weight	500.6
135414420	Mono_Isotopic_Weight	364.04937236
566455	Covalent_Unit_Count	1
9800068	Total_Formal_Charge	0
11911	Defined_Bond_Stereo_Count	0
5051	Rotatable_Bond_Count	11
62670550	Defined_Atom_Stereo_Count	0
3604	Mono_Isotopic_Weight	202.240898965
126664809	Molecular_Weight	303.35
7280190	Undefined_Bond_Stereo_Count	0
446156	Mono_Isotopic_Weight	459.24210135
76223	Hydrogen_Bond_Acceptor_Count	6
18600	Non-hydrogen_Atom_Count	22
31312	Defined_Atom_Stereo_Count	7
135332658	Undefined_Bond_Stereo_Count	0
53987564	Mono_Isotopic_Weight	117.042593085
12347357	TPSA	37.3
15430	Covalent_Unit_Count	1
4659570	Total_Formal_Charge	1
34633	Isotope_Atom_Count	0
21242611	Exact_Mass	309.17357019
17931	XLogP3	3.6
19736124	Defined_Atom_Stereo_Count	0
7929	Rotatable_Bond_Count	0
11297956	Hydrogen_Bond_Acceptor_Count	2
78099560	Mono_Isotopic_Weight	462.1686514
21906940	Covalent_Unit_Count	1
163628725	Undefined_Atom_Stereo_Count	1
21482439	TPSA	9.2
11219835	TPSA	76.2
6857	Defined_Bond_Stereo_Count	0
136657690	Mono_Isotopic_Weight	218.05522346
57481197	Hydrogen_Bond_Donor_Count	1
4136	Defined_Bond_Stereo_Count	0
3034048	Molecular_Weight	325.5
56955180	Defined_Bond_Stereo_Count	0
6277	Isotope_Atom_Count	0
74802	Non-hydrogen_Atom_Count	11
136114017	Structure_Complexity	952
53773588	Undefined_Atom_Stereo_Count	0
17913	Defined_Bond_Stereo_Count	0
10028830	Exact_Mass	497.19844227
21894763	Covalent_Unit_Count	1
5367785	TPSA	26.3
3494	Undefined_Bond_Stereo_Count	0
9829162	Hydrogen_Bond_Acceptor_Count	6
54587759	Structure_Complexity	437
135516356	Hydrogen_Bond_Acceptor_Count	6
16048558	TPSA	35.5
10142377	Structure_Complexity	878
135016365	Covalent_Unit_Count	1
17884104	Defined_Bond_Stereo_Count	0
398655	Exact_Mass	431.0520275
644113	Isotope_Atom_Count	0
9815689	TPSA	50.1
179383	TPSA	33.4
145937	Non-hydrogen_Atom_Count	27
196639	Covalent_Unit_Count	1
22123753	Undefined_Atom_Stereo_Count	1
101033892	Undefined_Atom_Stereo_Count	0
325003	Undefined_Atom_Stereo_Count	2
170833	Hydrogen_Bond_Donor_Count	1
133025	Molecular_Weight	228.20
69021	Total_Formal_Charge	0
20393	Defined_Atom_Stereo_Count	0
22182	Covalent_Unit_Count	3
116701105	Isotope_Atom_Count	0
70234124	Defined_Bond_Stereo_Count	0
37631	Mono_Isotopic_Weight	179.094628657
83975	Hydrogen_Bond_Acceptor_Count	4
3037936	Undefined_Atom_Stereo_Count	0
76356	Undefined_Atom_Stereo_Count	0
85069	Structure_Complexity	439
29675	Defined_Atom_Stereo_Count	0
17705	Defined_Atom_Stereo_Count	0
3418	Isotope_Atom_Count	0
92321	Hydrogen_Bond_Acceptor_Count	4
54136224	TPSA	41.8
11170931	Undefined_Bond_Stereo_Count	0
243859	Mono_Isotopic_Weight	115.099714038
21081761	XLogP3-AA	4.1
410914	Exact_Mass	400.17466988
137430	Undefined_Bond_Stereo_Count	0
66117	Defined_Bond_Stereo_Count	0
54175107	XLogP3-AA	1
70482	XLogP3-AA	0.1
91667591	Rotatable_Bond_Count	16
61444	TPSA	95.6
776222	Total_Formal_Charge	0
67432369	Rotatable_Bond_Count	0
16906	Undefined_Bond_Stereo_Count	0
25181577	Isotope_Atom_Count	0
85912645	Exact_Mass	98.036779430
25188420	Undefined_Bond_Stereo_Count	0
20943	Mono_Isotopic_Weight	366.07079941
92722	Isotope_Atom_Count	0
31222	Hydrogen_Bond_Donor_Count	2
89822	Isotope_Atom_Count	0
9548720	Structure_Complexity	641
137704662	Mono_Isotopic_Weight	528.21078060
39793	Defined_Bond_Stereo_Count	0
24434	Undefined_Bond_Stereo_Count	0
544613	Structure_Complexity	98.7
5281068	Mono_Isotopic_Weight	390.1346349
11029782	Defined_Bond_Stereo_Count	0
10993	TPSA	20.2
67710	Undefined_Bond_Stereo_Count	0
58506875	Mono_Isotopic_Weight	285.209264485
77888	Isotope_Atom_Count	0
73952292	Hydrogen_Bond_Donor_Count	7
54037464	Undefined_Atom_Stereo_Count	0
2033	Hydrogen_Bond_Donor_Count	1
5281116	Molecular_Weight	338.6
1524	XLogP3-AA	1.3
3776755	Isotope_Atom_Count	0
670580	Mono_Isotopic_Weight	320.04310506
8532	Rotatable_Bond_Count	0
76134	Exact_Mass	174.115698455
77998	Hydrogen_Bond_Donor_Count	3
11029779	Defined_Bond_Stereo_Count	0
5460326	XLogP3-AA	2.3
21883050	Isotope_Atom_Count	0
17835	Structure_Complexity	66.4
55297293	Non-hydrogen_Atom_Count	7
5388925	Defined_Bond_Stereo_Count	4
641001	Defined_Atom_Stereo_Count	0
71366347	Undefined_Atom_Stereo_Count	2
88580088	Undefined_Atom_Stereo_Count	0
22751786	Structure_Complexity	131
76857	Rotatable_Bond_Count	1
11095	Mono_Isotopic_Weight	288.06338810
93550	Non-hydrogen_Atom_Count	16
65272	Covalent_Unit_Count	1
26868	Defined_Atom_Stereo_Count	0
89724935	Structure_Complexity	122
13270940	Non-hydrogen_Atom_Count	7
443408	Covalent_Unit_Count	1
5803	Hydrogen_Bond_Donor_Count	2
22624677	Mono_Isotopic_Weight	179.094628657
24978553	Isotope_Atom_Count	0
5321948	TPSA	87
622688	Undefined_Bond_Stereo_Count	0
138125	Undefined_Atom_Stereo_Count	1
78255	Undefined_Atom_Stereo_Count	0
636362	Exact_Mass	533.1452592
492767	Total_Formal_Charge	0
70542877	XLogP3-AA	0.1
71311382	Total_Formal_Charge	0
37542	Hydrogen_Bond_Donor_Count	4
78704	Undefined_Bond_Stereo_Count	0
206347	Hydrogen_Bond_Donor_Count	14
22459	XLogP3-AA	0
87671146	Hydrogen_Bond_Donor_Count	0
5707	Tautomer_Count	8
535479	TPSA	26.8
6917857	TPSA	83.8
117010139	TPSA	15
4566	Undefined_Bond_Stereo_Count	0
30143	Undefined_Bond_Stereo_Count	0
73952292	Exact_Mass	665.30474055
10071747	Non-hydrogen_Atom_Count	31
40428945	Exact_Mass	123.019452343
6604087	Hydrogen_Bond_Acceptor_Count	9
123976	Undefined_Bond_Stereo_Count	0
45086609	Structure_Complexity	170
161588	Total_Formal_Charge	0
8747	Mono_Isotopic_Weight	322.999598
14143179	XLogP3-AA	0.5
6536825	Non-hydrogen_Atom_Count	13
4470790	Exact_Mass	356.10083623
5279172	Exact_Mass	388.13355396
22091031	Covalent_Unit_Count	1
77737505	Hydrogen_Bond_Donor_Count	1
15054176	Covalent_Unit_Count	1
6993773	Rotatable_Bond_Count	2
95571	Hydrogen_Bond_Acceptor_Count	2
62904	Hydrogen_Bond_Acceptor_Count	8
4205687	Undefined_Atom_Stereo_Count	0
53788450	Defined_Bond_Stereo_Count	0
12830097	Non-hydrogen_Atom_Count	17
589409	Hydrogen_Bond_Acceptor_Count	7
21118222	Defined_Atom_Stereo_Count	1
46631	Total_Formal_Charge	0
137606	Defined_Bond_Stereo_Count	0
102102472	Non-hydrogen_Atom_Count	33
1781	Hydrogen_Bond_Acceptor_Count	2
44571150	Non-hydrogen_Atom_Count	31
166144333	Non-hydrogen_Atom_Count	8
124031668	TPSA	26
25019176	Hydrogen_Bond_Donor_Count	6
154091501	Non-hydrogen_Atom_Count	8
60056	Rotatable_Bond_Count	7
10675	Structure_Complexity	567
3776755	Total_Formal_Charge	1
5284516	Defined_Atom_Stereo_Count	2
1525	Hydrogen_Bond_Acceptor_Count	11
41308	Defined_Bond_Stereo_Count	0
146472812	XLogP3-AA	4.4
53669425	Exact_Mass	259.06095954
3497	Isotope_Atom_Count	0
2110	TPSA	83.6
3954	Non-hydrogen_Atom_Count	34
17845830	Mono_Isotopic_Weight	113.058911855
6166	Mono_Isotopic_Weight	330.21949481
10113978	Hydrogen_Bond_Acceptor_Count	8
317061	Exact_Mass	97.052763847
83091	Hydrogen_Bond_Donor_Count	0
282518	Molecular_Weight	311.29
12061944	Non-hydrogen_Atom_Count	8
65728	Mono_Isotopic_Weight	386.354866087
76968505	Covalent_Unit_Count	2
10632854	Exact_Mass	223.063328530
27531	XLogP3-AA	2.1
14245	TPSA	0
61059	Non-hydrogen_Atom_Count	12
1203	Hydrogen_Bond_Donor_Count	5
6564	Hydrogen_Bond_Donor_Count	0
9500	Covalent_Unit_Count	1
84148	Mono_Isotopic_Weight	112.063662883
13661819	Defined_Bond_Stereo_Count	0
12674802	Exact_Mass	304.78323
62388	Hydrogen_Bond_Donor_Count	0
85645107	Total_Formal_Charge	0
68770	Non-hydrogen_Atom_Count	26
21692	Exact_Mass	268.121177757
45257	Molecular_Weight	291.4
6604100	Defined_Bond_Stereo_Count	1
941915	Rotatable_Bond_Count	1
4943	Undefined_Bond_Stereo_Count	0
273579	Total_Formal_Charge	0
52941030	TPSA	91.7
74242	Structure_Complexity	175
57680	Defined_Atom_Stereo_Count	0
5991	Structure_Complexity	505
87322	XLogP3-AA	1.4
160051	Defined_Atom_Stereo_Count	0
9548714	Undefined_Bond_Stereo_Count	0
11921	Rotatable_Bond_Count	1
823887	Hydrogen_Bond_Acceptor_Count	2
44565798	Non-hydrogen_Atom_Count	23
107926	Defined_Atom_Stereo_Count	1
2332	Hydrogen_Bond_Acceptor_Count	1
14500	Defined_Atom_Stereo_Count	0
637796	Undefined_Atom_Stereo_Count	0
9434	Tautomer_Count	1
135442966	Structure_Complexity	1840
12260	TPSA	0
13814	Tautomer_Count	3
12755803	Hydrogen_Bond_Acceptor_Count	1
24214097	Undefined_Atom_Stereo_Count	0
2691	TPSA	198
2128	Defined_Bond_Stereo_Count	0
54378536	Undefined_Atom_Stereo_Count	0
5282315	Exact_Mass	821.49254132
59036328	Covalent_Unit_Count	1
8602	Hydrogen_Bond_Acceptor_Count	2
87757577	Defined_Bond_Stereo_Count	0
12819963	Rotatable_Bond_Count	0
129229305	XLogP3-AA	1.7
934	Exact_Mass	57.935342
44560574	Hydrogen_Bond_Acceptor_Count	6
3037456	Non-hydrogen_Atom_Count	35
166585863	Defined_Atom_Stereo_Count	0
43146	Exact_Mass	251.131014166
54236240	Undefined_Bond_Stereo_Count	0
7896	Defined_Atom_Stereo_Count	0
64740	Non-hydrogen_Atom_Count	25
62485	Defined_Bond_Stereo_Count	0
7043	Covalent_Unit_Count	1
4496	Hydrogen_Bond_Acceptor_Count	4
488	TPSA	201
54267	Rotatable_Bond_Count	2
68423	Structure_Complexity	39.4
70686473	Non-hydrogen_Atom_Count	28
128919	Tautomer_Count	5
6857537	Molecular_Weight	212.29
134669	Exact_Mass	179.06161445
63049	Isotope_Atom_Count	0
12701395	Hydrogen_Bond_Acceptor_Count	1
9897	Mono_Isotopic_Weight	144.03981395
5353370	Defined_Atom_Stereo_Count	0
6537504	Hydrogen_Bond_Acceptor_Count	18
23103366	Isotope_Atom_Count	0
25150	Isotope_Atom_Count	0
17910644	Rotatable_Bond_Count	0
19883347	Defined_Bond_Stereo_Count	0
5466139	Covalent_Unit_Count	1
36405	Isotope_Atom_Count	0
5459220	TPSA	215
91759533	Covalent_Unit_Count	1
69158	Structure_Complexity	346
60155182	Undefined_Bond_Stereo_Count	0
12620	Hydrogen_Bond_Donor_Count	1
129645691	Covalent_Unit_Count	2
60374	Rotatable_Bond_Count	3
25419	Undefined_Atom_Stereo_Count	0
6916033	Undefined_Bond_Stereo_Count	0
6918191	Mono_Isotopic_Weight	324.0890221
104826	Undefined_Atom_Stereo_Count	1
518455	Exact_Mass	113.07014524
17904805	TPSA	40.5
78323	Defined_Bond_Stereo_Count	0
4402648	Hydrogen_Bond_Donor_Count	2
44792	Exact_Mass	173.177964357
45055483	TPSA	364
23462	Defined_Atom_Stereo_Count	1
21826	Undefined_Bond_Stereo_Count	0
121630	Non-hydrogen_Atom_Count	7
10678193	Non-hydrogen_Atom_Count	7
61664	Non-hydrogen_Atom_Count	7
49	Hydrogen_Bond_Acceptor_Count	3
67151	TPSA	46.9
6713428	Rotatable_Bond_Count	1
17875436	Hydrogen_Bond_Acceptor_Count	2
53511	Hydrogen_Bond_Acceptor_Count	2
84098	Hydrogen_Bond_Acceptor_Count	8
32051	Isotope_Atom_Count	0
7915	Molecular_Weight	102.13
9825070	Undefined_Atom_Stereo_Count	0
5310969	Rotatable_Bond_Count	3
23680518	Structure_Complexity	957
61341	Total_Formal_Charge	0
153442	Mono_Isotopic_Weight	275.9721158
14416477	Structure_Complexity	531
20388	Molecular_Weight	534.1
8103	Tautomer_Count	1
11446308	Exact_Mass	117.053826475
57565875	Undefined_Atom_Stereo_Count	0
112680	Tautomer_Count	1
1235	Undefined_Bond_Stereo_Count	0
20426877	Isotope_Atom_Count	0
15853020	Hydrogen_Bond_Acceptor_Count	2
637552	TPSA	45.6
3279	Undefined_Bond_Stereo_Count	0
82736	Mono_Isotopic_Weight	96.068748264
5281605	Rotatable_Bond_Count	1
11303	Exact_Mass	290.224580195
49853406	Undefined_Bond_Stereo_Count	0
24913	Tautomer_Count	1
117846020	Isotope_Atom_Count	0
36431	TPSA	69.6
65854	Molecular_Weight	228.74
129649958	Exact_Mass	111.043261792
3658056	Structure_Complexity	738
53838967	Undefined_Atom_Stereo_Count	0
4205037	Mono_Isotopic_Weight	293.17865558
10184774	Defined_Bond_Stereo_Count	0
67412	Non-hydrogen_Atom_Count	10
135705228	Isotope_Atom_Count	0
69488026	TPSA	43.3
301567	Mono_Isotopic_Weight	100.088815002
23665647	Isotope_Atom_Count	0
6429029	Undefined_Atom_Stereo_Count	1
260708	Defined_Atom_Stereo_Count	0
44404642	Hydrogen_Bond_Acceptor_Count	5
21513403	Undefined_Bond_Stereo_Count	0
12794196	Covalent_Unit_Count	1
4652	Mono_Isotopic_Weight	199.0400063
55294	Undefined_Atom_Stereo_Count	0
12643154	Isotope_Atom_Count	0
6921	Hydrogen_Bond_Acceptor_Count	3
22476544	Undefined_Bond_Stereo_Count	0
121596705	Defined_Bond_Stereo_Count	0
7019255	Molecular_Weight	254.4
115107	TPSA	41.9
2563	Total_Formal_Charge	0
7711	Rotatable_Bond_Count	4
12149091	Non-hydrogen_Atom_Count	42
135408763	Rotatable_Bond_Count	0
11779772	Isotope_Atom_Count	0
71541190	Structure_Complexity	230
79297905	Defined_Bond_Stereo_Count	0
449107	XLogP3-AA	4.9
440192	Mono_Isotopic_Weight	206.094294304
2595	Defined_Atom_Stereo_Count	0
20483595	Structure_Complexity	177
76497	Hydrogen_Bond_Donor_Count	2
9843941	Undefined_Bond_Stereo_Count	0
57399438	Structure_Complexity	552
12724530	Total_Formal_Charge	0
214397	Isotope_Atom_Count	0
52905	Undefined_Atom_Stereo_Count	0
44033	Exact_Mass	367.1081396
22385729	Defined_Atom_Stereo_Count	0
9402	Hydrogen_Bond_Donor_Count	1
92044408	Mono_Isotopic_Weight	1525.3899216
94543	Mono_Isotopic_Weight	250.193280068
16133838	Structure_Complexity	6820
61899	Tautomer_Count	1
96393	Structure_Complexity	97.1
22037858	Non-hydrogen_Atom_Count	6
6887	Isotope_Atom_Count	0
11335	Hydrogen_Bond_Acceptor_Count	1
66561	Undefined_Atom_Stereo_Count	0
15228410	Exact_Mass	114.068079557
21490219	Rotatable_Bond_Count	1
71317118	XLogP3-AA	0.2
54484	Exact_Mass	292.17869263
11354606	Isotope_Atom_Count	0
20465	Hydrogen_Bond_Donor_Count	1
10129	Undefined_Atom_Stereo_Count	3
40550	Defined_Atom_Stereo_Count	0
11112	Undefined_Bond_Stereo_Count	0
85538	Undefined_Atom_Stereo_Count	0
53316382	Undefined_Atom_Stereo_Count	0
77064	Mono_Isotopic_Weight	88.100048391
62130	Tautomer_Count	1
1017	Covalent_Unit_Count	1
22833294	XLogP3-AA	5.1
53317194	Undefined_Atom_Stereo_Count	0
6183357	Isotope_Atom_Count	0
44392167	Undefined_Atom_Stereo_Count	0
57750364	Undefined_Atom_Stereo_Count	1
14491	Molecular_Weight	150.3
64972	Rotatable_Bond_Count	2
101008927	Undefined_Atom_Stereo_Count	1
151062	Covalent_Unit_Count	1
40361	Rotatable_Bond_Count	5
6506	Hydrogen_Bond_Donor_Count	1
71228	Total_Formal_Charge	0
13837	Rotatable_Bond_Count	2
80507	Defined_Atom_Stereo_Count	0
92363	Structure_Complexity	136
17922642	Hydrogen_Bond_Acceptor_Count	1
78739	Isotope_Atom_Count	0
70684314	Defined_Atom_Stereo_Count	0
85568	Structure_Complexity	158
116489251	Hydrogen_Bond_Donor_Count	1
135484551	Isotope_Atom_Count	0
11725	Non-hydrogen_Atom_Count	5
772	Defined_Atom_Stereo_Count	0
67113727	Rotatable_Bond_Count	2
20660020	Hydrogen_Bond_Donor_Count	1
712421	TPSA	63.3
7241	TPSA	0
5408	Molecular_Weight	288.4
78704	Rotatable_Bond_Count	2
39526	Isotope_Atom_Count	0
22382373	TPSA	26.3
20969	Hydrogen_Bond_Acceptor_Count	5
73227	Hydrogen_Bond_Acceptor_Count	2
493082	Hydrogen_Bond_Acceptor_Count	6
13598997	Undefined_Atom_Stereo_Count	0
91556	Defined_Atom_Stereo_Count	0
24860538	Mono_Isotopic_Weight	361.875716
4099	Rotatable_Bond_Count	2
390986	Defined_Atom_Stereo_Count	0
192160	TPSA	38.7
148121	Molecular_Weight	477.5
118360945	XLogP3-AA	1.2
71512	Molecular_Weight	484.16
10909502	Covalent_Unit_Count	1
96821	Non-hydrogen_Atom_Count	12
103656	Tautomer_Count	1
132846	Total_Formal_Charge	0
98148765	Covalent_Unit_Count	1
54686764	TPSA	182
30999	Defined_Atom_Stereo_Count	0
9915039	Undefined_Atom_Stereo_Count	0
73977860	Isotope_Atom_Count	0
8048	Isotope_Atom_Count	0
129012189	Hydrogen_Bond_Donor_Count	4
6999977	Undefined_Atom_Stereo_Count	0
53	Isotope_Atom_Count	0
6918663	Rotatable_Bond_Count	7
15442732	Covalent_Unit_Count	1
16052015	Isotope_Atom_Count	0
135052535	Mono_Isotopic_Weight	116.047344113
853433	Defined_Bond_Stereo_Count	1
4351	Structure_Complexity	152
54129211	Mono_Isotopic_Weight	94.041864811
13245696	Structure_Complexity	103
25208	Non-hydrogen_Atom_Count	12
14740383	Total_Formal_Charge	0
94297	Molecular_Weight	100.12
688267	Defined_Atom_Stereo_Count	2
71584285	XLogP3-AA	2
10130270	TPSA	20.2
642801	Isotope_Atom_Count	0
5352438	Structure_Complexity	139
1093	Structure_Complexity	646
54496446	Undefined_Atom_Stereo_Count	1
58980176	Mono_Isotopic_Weight	110.109550447
13611196	XLogP3-AA	2.1
37366	TPSA	66.4
8569	XLogP3	3.3
79346	Covalent_Unit_Count	1
118210659	Hydrogen_Bond_Acceptor_Count	4
14463	Hydrogen_Bond_Acceptor_Count	6
11765960	Structure_Complexity	1560
163263	Undefined_Bond_Stereo_Count	0
10148984	Undefined_Bond_Stereo_Count	0
4523964	Covalent_Unit_Count	1
777	Rotatable_Bond_Count	1
34148	Exact_Mass	368.11774614
24868267	Undefined_Bond_Stereo_Count	0
84072504	Total_Formal_Charge	0
5362527	Non-hydrogen_Atom_Count	14
524667	Undefined_Atom_Stereo_Count	1
235414	Undefined_Bond_Stereo_Count	0
53895224	Isotope_Atom_Count	0
28932	Undefined_Bond_Stereo_Count	0
13031981	Hydrogen_Bond_Acceptor_Count	2
56962337	Undefined_Atom_Stereo_Count	0
24901143	Undefined_Bond_Stereo_Count	0
92444	Tautomer_Count	1
121732	Covalent_Unit_Count	1
44338763	Undefined_Bond_Stereo_Count	0
11088	Non-hydrogen_Atom_Count	24
17909343	Defined_Atom_Stereo_Count	0
90444	Non-hydrogen_Atom_Count	25
126672220	Mono_Isotopic_Weight	111.068413911
3032854	Hydrogen_Bond_Acceptor_Count	2
24832091	Molecular_Weight	454.5
18597	Non-hydrogen_Atom_Count	11
53346495	Undefined_Bond_Stereo_Count	0
57825223	Undefined_Bond_Stereo_Count	0
130541995	Hydrogen_Bond_Donor_Count	0
20097886	Hydrogen_Bond_Donor_Count	0
75357	Rotatable_Bond_Count	0
11628328	Defined_Bond_Stereo_Count	0
21798491	Mono_Isotopic_Weight	114.079312947
5311035	Undefined_Bond_Stereo_Count	0
338085	Defined_Atom_Stereo_Count	0
133611945	Defined_Bond_Stereo_Count	1
3016738	Undefined_Bond_Stereo_Count	0
90355769	Undefined_Bond_Stereo_Count	0
159055	Tautomer_Count	2
55305	Undefined_Atom_Stereo_Count	1
14283774	Isotope_Atom_Count	0
153812620	Covalent_Unit_Count	1
7495	Defined_Bond_Stereo_Count	0
171409	Non-hydrogen_Atom_Count	85
5464263	Undefined_Bond_Stereo_Count	0
185654	Covalent_Unit_Count	1
11138428	Structure_Complexity	151
3031	Hydrogen_Bond_Acceptor_Count	1
11341	Hydrogen_Bond_Acceptor_Count	2
644213	Mono_Isotopic_Weight	276.0301698
16049448	TPSA	144
5289547	Defined_Bond_Stereo_Count	1
69334703	Undefined_Bond_Stereo_Count	0
11550045	Total_Formal_Charge	0
12248	Hydrogen_Bond_Acceptor_Count	1
11417	Mono_Isotopic_Weight	107.073499291
160889158	Mono_Isotopic_Weight	113.058911855
54236240	Defined_Atom_Stereo_Count	0
69325	Tautomer_Count	1
71602	Molecular_Weight	179.18
11979961	Non-hydrogen_Atom_Count	148
66316	Structure_Complexity	260
18100	Total_Formal_Charge	0
70258	Defined_Bond_Stereo_Count	0
386	Molecular_Weight	1062.1
6604557	Undefined_Bond_Stereo_Count	0
18604	Exact_Mass	212.214015512
6432237	Exact_Mass	72.057514874
2562	Tautomer_Count	1
90315	Exact_Mass	384.18965124
72323	Mono_Isotopic_Weight	338.13923312
7868	Defined_Bond_Stereo_Count	0
46907787	Undefined_Atom_Stereo_Count	0
54023646	Rotatable_Bond_Count	1
12342	Molecular_Weight	88.07
87187299	Defined_Bond_Stereo_Count	0
23642275	Molecular_Weight	283.4
5311067	Rotatable_Bond_Count	2
68702	Hydrogen_Bond_Donor_Count	1
10880751	Hydrogen_Bond_Acceptor_Count	5
5354499	Isotope_Atom_Count	0
21552514	TPSA	50.1
6426740	Isotope_Atom_Count	0
58852839	XLogP3-AA	0.2
15806	TPSA	49.3
91572	Hydrogen_Bond_Acceptor_Count	4
535479	Mono_Isotopic_Weight	82.053098200
11475	Non-hydrogen_Atom_Count	9
91749	Exact_Mass	221.0243562
89200515	Hydrogen_Bond_Donor_Count	5
7899	Total_Formal_Charge	0
72941511	Non-hydrogen_Atom_Count	31
93357	Isotope_Atom_Count	0
10366136	Undefined_Atom_Stereo_Count	0
3464	Total_Formal_Charge	0
164026416	Hydrogen_Bond_Donor_Count	0
132274080	Undefined_Atom_Stereo_Count	10
46127	Non-hydrogen_Atom_Count	21
4564493	Tautomer_Count	8
454	Tautomer_Count	2
10709065	Defined_Bond_Stereo_Count	2
33044	Undefined_Atom_Stereo_Count	0
543	Hydrogen_Bond_Acceptor_Count	6
12233	Rotatable_Bond_Count	2
2913	Covalent_Unit_Count	1
4277439	Hydrogen_Bond_Donor_Count	1
9244	Rotatable_Bond_Count	0
9090	Undefined_Atom_Stereo_Count	0
8094	Defined_Atom_Stereo_Count	0
545127	Defined_Atom_Stereo_Count	0
163722493	Mono_Isotopic_Weight	95.073499291
645691	Covalent_Unit_Count	1
163468867	Total_Formal_Charge	0
4953	TPSA	74.6
656867	Hydrogen_Bond_Donor_Count	2
514	Rotatable_Bond_Count	7
68602320	Structure_Complexity	141
182137	XLogP3	2.2
61818	Hydrogen_Bond_Donor_Count	0
692643	Total_Formal_Charge	0
910	Rotatable_Bond_Count	5
91936858	Defined_Atom_Stereo_Count	1
7560	Molecular_Weight	164.20
2342	Molecular_Weight	404.5
88564905	Structure_Complexity	83.8
151203809	XLogP3	0.9
105426996	Covalent_Unit_Count	1
14794987	Undefined_Atom_Stereo_Count	0
20388	Structure_Complexity	585
12459578	Isotope_Atom_Count	0
80690	TPSA	64.9
20502	TPSA	46.7
4937	Molecular_Weight	229.71
11815284	Structure_Complexity	23.5
15620	Rotatable_Bond_Count	4
79043	Undefined_Bond_Stereo_Count	0
14866914	Molecular_Weight	102.09
6436661	Molecular_Weight	626.5
53983207	Structure_Complexity	113
57270176	Defined_Bond_Stereo_Count	0
135935707	Structure_Complexity	276
5281522	XLogP3-AA	4.4
8167	Total_Formal_Charge	0
3017698	Non-hydrogen_Atom_Count	17
75903	TPSA	78.9
54584775	Hydrogen_Bond_Donor_Count	1
147556052	Mono_Isotopic_Weight	111.104799419
25611	Hydrogen_Bond_Acceptor_Count	1
9399	Hydrogen_Bond_Acceptor_Count	6
54054905	Total_Formal_Charge	0
13401682	Rotatable_Bond_Count	3
83131	Hydrogen_Bond_Donor_Count	2
11643980	Structure_Complexity	72
145721395	Molecular_Weight	840.3
101033892	Undefined_Bond_Stereo_Count	0
8271	TPSA	66.5
54594759	Defined_Atom_Stereo_Count	0
11813918	Hydrogen_Bond_Donor_Count	9
3014294	XLogP3-AA	1.5
2958	Hydrogen_Bond_Donor_Count	5
7966	Defined_Bond_Stereo_Count	0
12299881	Covalent_Unit_Count	1
13850985	Defined_Bond_Stereo_Count	0
5366244	Mono_Isotopic_Weight	296.307915895
133121364	Rotatable_Bond_Count	1
73415809	Exact_Mass	380.13818736
3506	Defined_Atom_Stereo_Count	0
517044	Tautomer_Count	1
321436	Total_Formal_Charge	0
5030	Exact_Mass	536.39542454
9844225	Covalent_Unit_Count	2
129670580	Defined_Atom_Stereo_Count	0
13006	Hydrogen_Bond_Donor_Count	0
75534860	Isotope_Atom_Count	0
121904	Defined_Bond_Stereo_Count	0
74390	Rotatable_Bond_Count	7
2064030	Exact_Mass	295.96981
35823	XLogP3	7.1
3034811	Mono_Isotopic_Weight	104.968545
6420039	Mono_Isotopic_Weight	315.1601214
521759	Molecular_Weight	96.17
147543335	Mono_Isotopic_Weight	97.089149355
285666	Molecular_Weight	452.6
46225600	Hydrogen_Bond_Donor_Count	17
819440	Hydrogen_Bond_Acceptor_Count	3
69236	Total_Formal_Charge	0
70355	Undefined_Atom_Stereo_Count	0
44455701	Hydrogen_Bond_Acceptor_Count	9
440560	Covalent_Unit_Count	1
443873	Hydrogen_Bond_Donor_Count	3
54344827	Defined_Bond_Stereo_Count	0
15566577	Total_Formal_Charge	0
44154493	Non-hydrogen_Atom_Count	30
22341858	Molecular_Weight	86.14
51918	Mono_Isotopic_Weight	181.05613515
14920523	Defined_Atom_Stereo_Count	0
7986	Total_Formal_Charge	0
70957	Defined_Bond_Stereo_Count	0
53316407	Covalent_Unit_Count	2
5460294	Mono_Isotopic_Weight	132.02968267
11636816	Defined_Bond_Stereo_Count	0
38253	Hydrogen_Bond_Acceptor_Count	2
67828	Covalent_Unit_Count	1
642801	Undefined_Bond_Stereo_Count	0
12636246	Hydrogen_Bond_Acceptor_Count	2
793	Defined_Bond_Stereo_Count	0
4560140	Rotatable_Bond_Count	2
95169	Undefined_Atom_Stereo_Count	0
118098295	Hydrogen_Bond_Donor_Count	8
5288223	Undefined_Bond_Stereo_Count	0
12473807	Non-hydrogen_Atom_Count	7
688311	Exact_Mass	243.95352
220936	TPSA	54.4
8795	Mono_Isotopic_Weight	129.126597491
46216142	Tautomer_Count	2
7252	Hydrogen_Bond_Acceptor_Count	2
13021	Hydrogen_Bond_Donor_Count	1
151172	Total_Formal_Charge	0
55288974	Structure_Complexity	155
139074319	Undefined_Atom_Stereo_Count	0
6435156	Structure_Complexity	451
6877	Exact_Mass	165.078978594
241793	XLogP3-AA	0.5
17318	TPSA	54
15981397	Hydrogen_Bond_Donor_Count	1
62709	Tautomer_Count	1
520301	TPSA	12
6427110	XLogP3-AA	4.6
307	Structure_Complexity	121
22697	Defined_Atom_Stereo_Count	0
10284	Defined_Atom_Stereo_Count	0
30874	Exact_Mass	180.187800766
67002565	Rotatable_Bond_Count	2
88093945	Exact_Mass	416.32904526
15208558	Hydrogen_Bond_Acceptor_Count	1
9104	Non-hydrogen_Atom_Count	32
45214	Exact_Mass	301.019183
8485	TPSA	62.8
15567528	Mono_Isotopic_Weight	112.063662883
6971047	Defined_Bond_Stereo_Count	0
23673837	Undefined_Bond_Stereo_Count	0
141248885	Defined_Atom_Stereo_Count	0
25203302	Mono_Isotopic_Weight	291.83707
10347891	Non-hydrogen_Atom_Count	39
9903853	TPSA	67
3033968	Exact_Mass	310.193280068
5460570	Undefined_Bond_Stereo_Count	0
55288089	Mono_Isotopic_Weight	111.068413911
5400866	XLogP3-AA	1.6
91022475	Non-hydrogen_Atom_Count	8
54562506	TPSA	20.2
70695634	Tautomer_Count	1
89651175	Defined_Bond_Stereo_Count	0
152943	Undefined_Bond_Stereo_Count	0
148192	Exact_Mass	704.38974802
220486	Undefined_Bond_Stereo_Count	0
11315	Undefined_Atom_Stereo_Count	0
22323244	Defined_Atom_Stereo_Count	0
56962313	Mono_Isotopic_Weight	443.19573968
66435	Total_Formal_Charge	0
117814470	Molecular_Weight	212.13
5363527	Structure_Complexity	185
235713	Exact_Mass	182.03275668
48068	Non-hydrogen_Atom_Count	38
1241420	Exact_Mass	173.10519334
54613184	Hydrogen_Bond_Acceptor_Count	10
14872976	Structure_Complexity	65.1
61791	Mono_Isotopic_Weight	492.25252628
11808	Exact_Mass	257.97524
47104	Defined_Bond_Stereo_Count	0
11850983	Non-hydrogen_Atom_Count	17
9959269	TPSA	111
55294	Isotope_Atom_Count	0
12869982	Hydrogen_Bond_Acceptor_Count	1
84834	Exact_Mass	124.01941529
69341863	Structure_Complexity	76.8
48289	Isotope_Atom_Count	0
15197399	Hydrogen_Bond_Donor_Count	1
5370664	Total_Formal_Charge	0
64303	Molecular_Weight	377.9
527855	Isotope_Atom_Count	0
153812233	Structure_Complexity	68.5
16667503	Exact_Mass	892.5353131
54025583	Defined_Bond_Stereo_Count	0
12412266	Hydrogen_Bond_Donor_Count	0
2737408	Undefined_Atom_Stereo_Count	0
91773	XLogP3	3.9
20705517	TPSA	3
44392229	Hydrogen_Bond_Donor_Count	1
14644797	Exact_Mass	115.063328530
21879756	Undefined_Bond_Stereo_Count	0
136837	Tautomer_Count	2
62705690	Molecular_Weight	443.4
11105314	Exact_Mass	97.052763847
23657846	Isotope_Atom_Count	0
138891	Undefined_Bond_Stereo_Count	0
6918788	Hydrogen_Bond_Donor_Count	1
116841780	Mono_Isotopic_Weight	109.089149355
79608	Covalent_Unit_Count	1
54102072	Molecular_Weight	106.13
83346	Non-hydrogen_Atom_Count	8
11338749	Isotope_Atom_Count	0
13099193	Mono_Isotopic_Weight	113.084063974
1967	Mono_Isotopic_Weight	326.18819469
17769	Hydrogen_Bond_Donor_Count	0
439655	Rotatable_Bond_Count	3
86063	Molecular_Weight	183.16
204506	Tautomer_Count	3
85237	Undefined_Bond_Stereo_Count	0
41462	Total_Formal_Charge	0
53466	TPSA	57
131170	Isotope_Atom_Count	0
11965427	Covalent_Unit_Count	1
44119936	XLogP3-AA	4
10991686	Defined_Bond_Stereo_Count	3
662	TPSA	107
16219293	Mono_Isotopic_Weight	337.05488871
186003	Isotope_Atom_Count	0
156614100	Non-hydrogen_Atom_Count	22
2218	Undefined_Bond_Stereo_Count	0
11569967	Exact_Mass	451.24958677
132647840	Covalent_Unit_Count	2
13817	Defined_Atom_Stereo_Count	0
102059894	Defined_Bond_Stereo_Count	1
31423	Non-hydrogen_Atom_Count	16
23724827	Covalent_Unit_Count	3
13327302	Covalent_Unit_Count	1
70579	Exact_Mass	421.92576
142809	Covalent_Unit_Count	1
5311010	Rotatable_Bond_Count	18
18710462	Hydrogen_Bond_Acceptor_Count	0
125461340	TPSA	231
91053206	Hydrogen_Bond_Donor_Count	5
10912274	Non-hydrogen_Atom_Count	14
3628	Tautomer_Count	1
72331	Non-hydrogen_Atom_Count	38
32503	Defined_Atom_Stereo_Count	0
55918	Defined_Atom_Stereo_Count	0
85104	TPSA	34.1
71094775	Non-hydrogen_Atom_Count	23
117736498	TPSA	13.1
143682218	Exact_Mass	95.073499291
3681	Isotope_Atom_Count	0
11553183	Total_Formal_Charge	0
126977538	Rotatable_Bond_Count	2
16685	Covalent_Unit_Count	1
3640	Non-hydrogen_Atom_Count	26
441411	Molecular_Weight	219.66
8376	Hydrogen_Bond_Donor_Count	0
246571	Hydrogen_Bond_Donor_Count	0
17942383	TPSA	28.7
625	Undefined_Atom_Stereo_Count	3
17799404	Defined_Bond_Stereo_Count	0
20441	Undefined_Atom_Stereo_Count	0
69027241	Defined_Bond_Stereo_Count	0
6441264	Molecular_Weight	1076.4
23674746	Exact_Mass	555.03657441
43146	Structure_Complexity	327
71571512	Covalent_Unit_Count	1
6473878	Tautomer_Count	3
49831162	Total_Formal_Charge	0
130124330	Exact_Mass	113.047678466
18156	Exact_Mass	268.04840674
457831	Defined_Bond_Stereo_Count	0
200424	Undefined_Atom_Stereo_Count	0
105035	Hydrogen_Bond_Acceptor_Count	3
136863	Structure_Complexity	68
60196412	TPSA	146
67497	Tautomer_Count	1
54755438	Non-hydrogen_Atom_Count	34
2370	Hydrogen_Bond_Acceptor_Count	2
88402	Defined_Bond_Stereo_Count	0
300385	XLogP3-AA	3.2
7619	Undefined_Bond_Stereo_Count	0
14066	Structure_Complexity	59.1
135121698	Molecular_Weight	104.07
114506	Non-hydrogen_Atom_Count	21
63179	TPSA	63
349890	Undefined_Atom_Stereo_Count	1
11169	Exact_Mass	296.07516538
688145	Defined_Bond_Stereo_Count	1
3032818	XLogP3	3.1
86278348	Rotatable_Bond_Count	11
99147	Hydrogen_Bond_Acceptor_Count	2
101621557	Total_Formal_Charge	0
23674889	Rotatable_Bond_Count	2
58438464	Molecular_Weight	512.7
116814	Total_Formal_Charge	0
497266	Mono_Isotopic_Weight	292.09066547
2331	Structure_Complexity	106
62545	Defined_Bond_Stereo_Count	0
28118	Covalent_Unit_Count	2
131698425	Exact_Mass	184.08849508
16737690	Isotope_Atom_Count	0
44401271	Undefined_Atom_Stereo_Count	0
31005	Undefined_Atom_Stereo_Count	2
54684141	Exact_Mass	270.06161202
1669	Tautomer_Count	5
8711	Defined_Atom_Stereo_Count	0
6399253	Hydrogen_Bond_Acceptor_Count	10
79267	Hydrogen_Bond_Donor_Count	1
11234052	Molecular_Weight	370.4
54576693	Exact_Mass	410.0957244
24812	Molecular_Weight	221.17
21943184	Molecular_Weight	101.06
20491	XLogP3	0.5
44370729	Structure_Complexity	344
2776	Hydrogen_Bond_Acceptor_Count	4
14913584	Molecular_Weight	106.13
1438248	Non-hydrogen_Atom_Count	25
22220875	Total_Formal_Charge	0
76168	Hydrogen_Bond_Donor_Count	0
65099	Rotatable_Bond_Count	1
111509	Exact_Mass	88.052429494
534258	Defined_Atom_Stereo_Count	0
15016080	TPSA	48.9
62354	Isotope_Atom_Count	0
92922	Undefined_Bond_Stereo_Count	0
7729	Hydrogen_Bond_Donor_Count	1
656440	Structure_Complexity	579
36673	XLogP3	4.5
14913584	XLogP3-AA	0.8
603	Structure_Complexity	273
4048	Rotatable_Bond_Count	3
139192	Isotope_Atom_Count	0
136873	Covalent_Unit_Count	1
45271369	XLogP3-AA	3.7
75192	Molecular_Weight	212.25
65533	TPSA	157
10920441	Total_Formal_Charge	0
14626857	Mono_Isotopic_Weight	559.21409234
910	Hydrogen_Bond_Acceptor_Count	5
12830793	Undefined_Atom_Stereo_Count	0
137699188	Rotatable_Bond_Count	13
2159	Defined_Atom_Stereo_Count	0
642799	TPSA	12.9
11840927	Total_Formal_Charge	0
21576696	Total_Formal_Charge	1
44370729	Mono_Isotopic_Weight	237.07832714
443151	Non-hydrogen_Atom_Count	30
893673	Defined_Atom_Stereo_Count	0
11550004	Hydrogen_Bond_Donor_Count	1
21997068	Mono_Isotopic_Weight	102.115698455
3423265	Molecular_Weight	288.38
85382	Isotope_Atom_Count	0
94395	Non-hydrogen_Atom_Count	5
11988953	Structure_Complexity	514
5282181	Hydrogen_Bond_Donor_Count	2
37927	Undefined_Bond_Stereo_Count	0
449284	Defined_Atom_Stereo_Count	0
9416	Tautomer_Count	5
1597	Molecular_Weight	554.8
230826	Undefined_Atom_Stereo_Count	0
87962	Mono_Isotopic_Weight	205.146664230
59277765	Defined_Atom_Stereo_Count	0
13696436	Mono_Isotopic_Weight	335.9808379
107735	Hydrogen_Bond_Acceptor_Count	3
54565105	Molecular_Weight	96.17
53298027	XLogP3	2.7
523224	Mono_Isotopic_Weight	110.109550447
11180	Hydrogen_Bond_Donor_Count	0
11593706	Undefined_Bond_Stereo_Count	0
26350	Hydrogen_Bond_Acceptor_Count	3
12242802	Hydrogen_Bond_Donor_Count	1
122282	Mono_Isotopic_Weight	198.11167570
11646829	Defined_Bond_Stereo_Count	0
638070	Isotope_Atom_Count	0
69938	Hydrogen_Bond_Donor_Count	0
89951991	Covalent_Unit_Count	1
160796	Exact_Mass	295.0894550
49858375	Covalent_Unit_Count	1
21991095	Mono_Isotopic_Weight	111.079647300
236487	Defined_Atom_Stereo_Count	0
21876618	Undefined_Atom_Stereo_Count	0
10894	Total_Formal_Charge	0
137859	Undefined_Atom_Stereo_Count	0
141008392	Total_Formal_Charge	0
60196336	Undefined_Bond_Stereo_Count	0
8512	TPSA	54.4
16732312	Molecular_Weight	454.9
11443	Exact_Mass	174.042927438
9984441	Defined_Atom_Stereo_Count	3
4032	Covalent_Unit_Count	1
162955686	Total_Formal_Charge	0
12867	Covalent_Unit_Count	1
48041	Rotatable_Bond_Count	6
818183	Undefined_Bond_Stereo_Count	0
54037464	Undefined_Bond_Stereo_Count	0
140400	Undefined_Atom_Stereo_Count	0
20387231	Mono_Isotopic_Weight	99.104799419
8351	TPSA	3.2
736351	Defined_Bond_Stereo_Count	0
17997105	Non-hydrogen_Atom_Count	7
74440	Isotope_Atom_Count	0
92753	Undefined_Bond_Stereo_Count	0
55284589	Defined_Atom_Stereo_Count	0
4528	Rotatable_Bond_Count	1
5536	Mono_Isotopic_Weight	310.14163842
2006	TPSA	121
58054368	Structure_Complexity	911
15047014	Rotatable_Bond_Count	1
82693	Undefined_Bond_Stereo_Count	0
5749	Rotatable_Bond_Count	9
11633904	Hydrogen_Bond_Donor_Count	1
6553	Non-hydrogen_Atom_Count	5
67782238	XLogP3-AA	0.7
56670168	Hydrogen_Bond_Acceptor_Count	7
9796408	Undefined_Bond_Stereo_Count	0
71306478	Molecular_Weight	369.11
70695665	Hydrogen_Bond_Acceptor_Count	3
102239760	Hydrogen_Bond_Acceptor_Count	7
40701	Hydrogen_Bond_Acceptor_Count	2
54023641	TPSA	37.3
15174590	Undefined_Bond_Stereo_Count	0
1752	Rotatable_Bond_Count	8
741	TPSA	426
13349549	Total_Formal_Charge	0
14420972	Mono_Isotopic_Weight	140.076974926
3641	Exact_Mass	404.21988874
70310	Hydrogen_Bond_Donor_Count	0
22135	Defined_Bond_Stereo_Count	0
10209	XLogP3-AA	2.8
123388382	Molecular_Weight	98.15
101670359	Molecular_Weight	300.5
7160	Defined_Atom_Stereo_Count	0
12962871	Undefined_Atom_Stereo_Count	1
6953	Hydrogen_Bond_Acceptor_Count	6
141869079	Hydrogen_Bond_Donor_Count	2
153308419	Rotatable_Bond_Count	3
157727	Covalent_Unit_Count	1
313444	Non-hydrogen_Atom_Count	11
69335094	Molecular_Weight	115.09
85988	Mono_Isotopic_Weight	172.08479225
5270	XLogP3	0.4
10471931	Structure_Complexity	530
9984374	Undefined_Atom_Stereo_Count	1
21492	Total_Formal_Charge	0
12580931	Isotope_Atom_Count	0
2724055	Structure_Complexity	232
91662	Undefined_Atom_Stereo_Count	0
14536538	XLogP3-AA	4.9
141248885	Hydrogen_Bond_Acceptor_Count	2
4438	Hydrogen_Bond_Donor_Count	3
60155184	Undefined_Atom_Stereo_Count	0
120508	Defined_Bond_Stereo_Count	0
162895062	Rotatable_Bond_Count	3
157692	Defined_Bond_Stereo_Count	0
5107	Defined_Atom_Stereo_Count	0
6918160	Isotope_Atom_Count	0
10079874	Covalent_Unit_Count	1
167659	Molecular_Weight	172.15
41653	Mono_Isotopic_Weight	897.47219980
123637651	Defined_Bond_Stereo_Count	0
89033918	Defined_Bond_Stereo_Count	0
80873	Undefined_Atom_Stereo_Count	0
12132	Mono_Isotopic_Weight	208.100048391
15715913	Defined_Atom_Stereo_Count	0
5365793	Defined_Atom_Stereo_Count	0
11046239	Tautomer_Count	1
6427991	Hydrogen_Bond_Acceptor_Count	2
448285	Exact_Mass	359.1070404
20062226	Total_Formal_Charge	0
50222	Molecular_Weight	432.5
573598	Total_Formal_Charge	0
23777801	Rotatable_Bond_Count	6
16129635	Rotatable_Bond_Count	19
93573	Undefined_Bond_Stereo_Count	0
23103	Undefined_Bond_Stereo_Count	0
54793	Hydrogen_Bond_Donor_Count	0
83517	Isotope_Atom_Count	0
10130220	Covalent_Unit_Count	1
259381	Total_Formal_Charge	0
93768	Defined_Bond_Stereo_Count	0
53944814	Defined_Atom_Stereo_Count	0
4458	Hydrogen_Bond_Donor_Count	1
83167	Mono_Isotopic_Weight	209.04365571
86673	Total_Formal_Charge	0
8085	Total_Formal_Charge	0
5311341	Structure_Complexity	788
440997	Molecular_Weight	259.15
44404643	Total_Formal_Charge	0
135678081	Hydrogen_Bond_Acceptor_Count	12
77016	Non-hydrogen_Atom_Count	21
3038495	Exact_Mass	417.24162724
237	Undefined_Atom_Stereo_Count	1
22169421	XLogP3-AA	6
83814964	Structure_Complexity	88.4
46856340	Covalent_Unit_Count	3
21252133	Exact_Mass	114.104465066
10462	Rotatable_Bond_Count	3
153667070	Defined_Bond_Stereo_Count	0
11982778	Defined_Bond_Stereo_Count	3
54675866	Defined_Bond_Stereo_Count	0
448165	Exact_Mass	342.11621151
626738	Defined_Atom_Stereo_Count	0
23664290	Undefined_Bond_Stereo_Count	0
14626857	Defined_Bond_Stereo_Count	0
8737	Exact_Mass	183.0298355
652019	Undefined_Atom_Stereo_Count	1
19043237	Exact_Mass	104.094963011
550811	Covalent_Unit_Count	1
13394	Tautomer_Count	3
60814	Total_Formal_Charge	0
15129	Hydrogen_Bond_Donor_Count	1
11549937	Rotatable_Bond_Count	9
12936855	Isotope_Atom_Count	0
57396593	TPSA	78.7
736052	Covalent_Unit_Count	1
3140	Tautomer_Count	1
56679001	Hydrogen_Bond_Acceptor_Count	6
68015385	Defined_Atom_Stereo_Count	4
4582877	XLogP3-AA	0.8
69004	Hydrogen_Bond_Donor_Count	0
5702096	XLogP3	3.3
4019563	Exact_Mass	419.97220756
5284503	Hydrogen_Bond_Acceptor_Count	1
9960	Defined_Bond_Stereo_Count	0
3052776	Undefined_Bond_Stereo_Count	0
71206	Defined_Bond_Stereo_Count	0
88344183	Defined_Bond_Stereo_Count	0
2779031	Hydrogen_Bond_Donor_Count	1
15276695	Isotope_Atom_Count	0
68079	Undefined_Bond_Stereo_Count	0
5280440	Total_Formal_Charge	0
60196363	Exact_Mass	415.21474379
31361	XLogP3-AA	1.4
7540	Molecular_Weight	310.3
159250	Hydrogen_Bond_Donor_Count	6
62556	Mono_Isotopic_Weight	352.11581759
60150185	Isotope_Atom_Count	0
70690637	Non-hydrogen_Atom_Count	31
54143259	Non-hydrogen_Atom_Count	7
20006	Covalent_Unit_Count	1
549244	Hydrogen_Bond_Donor_Count	0
9912639	Isotope_Atom_Count	0
54693768	Structure_Complexity	618
12417	Mono_Isotopic_Weight	86.073164938
55290736	Undefined_Bond_Stereo_Count	0
1630	XLogP3-AA	0.7
25023858	Mono_Isotopic_Weight	468.25252628
11137	Molecular_Weight	139.11
5323927	Isotope_Atom_Count	0
39593	Total_Formal_Charge	0
57401684	Isotope_Atom_Count	0
1473879	Exact_Mass	252.03171130
638071	Undefined_Atom_Stereo_Count	0
217634	Hydrogen_Bond_Acceptor_Count	2
68171	Molecular_Weight	382.7
523547	Structure_Complexity	179
24705318	Hydrogen_Bond_Acceptor_Count	2
21702831	Mono_Isotopic_Weight	111.068413911
12646624	TPSA	38
101587427	Hydrogen_Bond_Acceptor_Count	3
61030	Structure_Complexity	132
725544	Defined_Bond_Stereo_Count	0
5352974	Non-hydrogen_Atom_Count	13
127036660	Molecular_Weight	355.6
6419719	Undefined_Atom_Stereo_Count	0
3862	Covalent_Unit_Count	1
20205	Mono_Isotopic_Weight	102.068079557
44310721	TPSA	67.2
16051951	Undefined_Atom_Stereo_Count	0
75634	Isotope_Atom_Count	0
18622368	Total_Formal_Charge	0
11234052	XLogP3-AA	3
10048011	Structure_Complexity	552
23409	Hydrogen_Bond_Donor_Count	1
7170	Isotope_Atom_Count	0
1010	Total_Formal_Charge	0
213046	Defined_Bond_Stereo_Count	0
15561101	Hydrogen_Bond_Donor_Count	1
66908038	Covalent_Unit_Count	1
10219402	Mono_Isotopic_Weight	112.052429494
49853406	XLogP3-AA	1.7
323180	Hydrogen_Bond_Acceptor_Count	3
14601092	XLogP3	4.3
16659677	Isotope_Atom_Count	0
8254	XLogP3-AA	0.1
58270050	Undefined_Bond_Stereo_Count	0
169573	Undefined_Atom_Stereo_Count	0
10350481	Non-hydrogen_Atom_Count	58
6451	TPSA	92.2
154237264	Hydrogen_Bond_Donor_Count	0
12186	Undefined_Atom_Stereo_Count	1
135400184	Hydrogen_Bond_Donor_Count	2
6961	Rotatable_Bond_Count	4
9810771	Exact_Mass	758.2146534
5281515	Mono_Isotopic_Weight	204.187800766
44814409	Undefined_Atom_Stereo_Count	0
6435207	Exact_Mass	400.18858861
25021359	Defined_Atom_Stereo_Count	2
68292207	Isotope_Atom_Count	0
72200409	Structure_Complexity	877
81223	Rotatable_Bond_Count	2
57642301	Covalent_Unit_Count	1
77554	Hydrogen_Bond_Acceptor_Count	2
45467	Defined_Atom_Stereo_Count	0
664081	Total_Formal_Charge	0
656665	TPSA	45.3
91945062	Hydrogen_Bond_Acceptor_Count	1
1755	Non-hydrogen_Atom_Count	15
4645224	Hydrogen_Bond_Donor_Count	1
453077	Structure_Complexity	247
4199	Covalent_Unit_Count	1
7059571	Molecular_Weight	328.20
135539121	Undefined_Atom_Stereo_Count	0
13838145	Total_Formal_Charge	0
176873	Non-hydrogen_Atom_Count	42
71406	Non-hydrogen_Atom_Count	41
150679	Molecular_Weight	270.25
28532	Total_Formal_Charge	0
35459	Hydrogen_Bond_Acceptor_Count	2
729483	Undefined_Atom_Stereo_Count	0
7500	Total_Formal_Charge	0
2031	Rotatable_Bond_Count	9
137319701	Defined_Bond_Stereo_Count	1
13245713	Total_Formal_Charge	0
2833	TPSA	83.1
10557	Non-hydrogen_Atom_Count	5
57372628	Hydrogen_Bond_Acceptor_Count	3
67273	Isotope_Atom_Count	0
54305717	Undefined_Bond_Stereo_Count	0
50938	Molecular_Weight	257.37
76487	TPSA	70.1
57784	Undefined_Bond_Stereo_Count	0
92043179	Covalent_Unit_Count	2
71157	Hydrogen_Bond_Acceptor_Count	2
123381573	Mono_Isotopic_Weight	86.048012819
119489	Rotatable_Bond_Count	2
12297	Hydrogen_Bond_Donor_Count	1
636750	Undefined_Atom_Stereo_Count	0
3085218	Exact_Mass	265.157897619
9325	Undefined_Atom_Stereo_Count	3
11985	Total_Formal_Charge	0
91172822	Undefined_Bond_Stereo_Count	2
63503	TPSA	48.4
9866186	TPSA	57.5
11329359	Isotope_Atom_Count	0
53317131	TPSA	78.3
11636	Non-hydrogen_Atom_Count	27
130169	Tautomer_Count	1
2799	Hydrogen_Bond_Donor_Count	1
82441	Structure_Complexity	385
3019	Total_Formal_Charge	0
15940571	Exact_Mass	489.27265258
12425324	Non-hydrogen_Atom_Count	9
4612	Mono_Isotopic_Weight	279.15829154
14743344	Covalent_Unit_Count	1
88269064	Undefined_Atom_Stereo_Count	1
70801	TPSA	43.8
6252	Structure_Complexity	383
9872438	Defined_Atom_Stereo_Count	0
162883452	Rotatable_Bond_Count	6
123928307	Total_Formal_Charge	0
23387261	Molecular_Weight	112.17
19907834	Defined_Atom_Stereo_Count	0
60820	Rotatable_Bond_Count	6
92546	XLogP3-AA	1.3
136797998	Structure_Complexity	555
54388248	Mono_Isotopic_Weight	112.088815002
54493962	Undefined_Atom_Stereo_Count	0
58438	Hydrogen_Bond_Acceptor_Count	3
33500	Undefined_Atom_Stereo_Count	0
8022	Defined_Bond_Stereo_Count	0
164533	Tautomer_Count	2
122361564	Tautomer_Count	15
7848	Hydrogen_Bond_Donor_Count	1
101992406	Molecular_Weight	111.07
14690973	Hydrogen_Bond_Acceptor_Count	2
20226581	Isotope_Atom_Count	0
19820834	Mono_Isotopic_Weight	101.047678466
1201479	Isotope_Atom_Count	0
21126175	Isotope_Atom_Count	0
669019	Structure_Complexity	255
1549018	Hydrogen_Bond_Acceptor_Count	1
76720	Defined_Bond_Stereo_Count	0
52942212	Hydrogen_Bond_Donor_Count	1
11687	Non-hydrogen_Atom_Count	25
22386	Mono_Isotopic_Weight	88.088815002
21192822	Mono_Isotopic_Weight	418.1120432
43013	Structure_Complexity	208
92146	Defined_Bond_Stereo_Count	0
178	Defined_Atom_Stereo_Count	0
565082	Hydrogen_Bond_Acceptor_Count	3
941	Molecular_Weight	336.21
2728270	Hydrogen_Bond_Donor_Count	1
11200	Exact_Mass	139.937397
23551594	Rotatable_Bond_Count	0
27902	Non-hydrogen_Atom_Count	23
13653621	Undefined_Atom_Stereo_Count	2
9813985	Molecular_Weight	267.3
53992	Undefined_Bond_Stereo_Count	0
93896	Structure_Complexity	219
18728219	Rotatable_Bond_Count	1
23960	Defined_Bond_Stereo_Count	0
21687221	Structure_Complexity	125
1449	Undefined_Atom_Stereo_Count	0
75796	Non-hydrogen_Atom_Count	28
20387194	Hydrogen_Bond_Acceptor_Count	1
13092476	Hydrogen_Bond_Acceptor_Count	2
34377	Tautomer_Count	2
11169170	TPSA	162
20312802	Exact_Mass	106.078250319
131704225	Non-hydrogen_Atom_Count	13
4340561	Non-hydrogen_Atom_Count	7
13138140	Mono_Isotopic_Weight	612.07668989
10364	Covalent_Unit_Count	1
31738	Total_Formal_Charge	0
4078	Isotope_Atom_Count	0
69588	Total_Formal_Charge	0
71449750	Mono_Isotopic_Weight	467.21686904
24250	Hydrogen_Bond_Acceptor_Count	2
21253562	Tautomer_Count	1
8067	Hydrogen_Bond_Acceptor_Count	1
53321036	Molecular_Weight	270.33
545317	Molecular_Weight	226.27
53734710	Undefined_Bond_Stereo_Count	0
61660	Exact_Mass	156.02450067
409746	Undefined_Bond_Stereo_Count	0
418745	Mono_Isotopic_Weight	134.059246208
21365956	Undefined_Bond_Stereo_Count	0
3033679	TPSA	106
87481019	TPSA	17.1
550030	XLogP3-AA	1.8
810	TPSA	389
67240514	Exact_Mass	96.032362755
6426739	Molecular_Weight	349.4
65079	Non-hydrogen_Atom_Count	45
123642	Hydrogen_Bond_Acceptor_Count	4
55855	Defined_Atom_Stereo_Count	3
8124	Exact_Mass	162.0811428
50990009	Non-hydrogen_Atom_Count	30
14865900	XLogP3-AA	0.2
104143	TPSA	99
54585373	Isotope_Atom_Count	0
60155182	Structure_Complexity	676
845646	Hydrogen_Bond_Donor_Count	1
15981397	Hydrogen_Bond_Acceptor_Count	5
63198	Mono_Isotopic_Weight	252.126263138
70755	Undefined_Atom_Stereo_Count	0
65501	Defined_Bond_Stereo_Count	0
20326	Non-hydrogen_Atom_Count	23
13561474	Hydrogen_Bond_Donor_Count	1
5284371	Rotatable_Bond_Count	1
5903	Mono_Isotopic_Weight	570.25120612
20283	Total_Formal_Charge	0
2224	XLogP3-AA	7.6
25073049	Rotatable_Bond_Count	6
54712148	Molecular_Weight	429.5
517000	Defined_Bond_Stereo_Count	0
114835	Non-hydrogen_Atom_Count	8
14197638	Non-hydrogen_Atom_Count	8
398604	Molecular_Weight	400.4
12184591	Rotatable_Bond_Count	9
6017	Rotatable_Bond_Count	2
44545852	Hydrogen_Bond_Donor_Count	1
81668	Undefined_Bond_Stereo_Count	0
20560	Hydrogen_Bond_Donor_Count	1
11020	Hydrogen_Bond_Acceptor_Count	3
11236353	Rotatable_Bond_Count	8
100308	Molecular_Weight	338.98
8854	Undefined_Atom_Stereo_Count	0
61293	TPSA	46.5
11094599	Non-hydrogen_Atom_Count	10
571736	Non-hydrogen_Atom_Count	8
24878	Hydrogen_Bond_Acceptor_Count	2
7405	Defined_Atom_Stereo_Count	1
53315110	Undefined_Bond_Stereo_Count	0
103786	Defined_Atom_Stereo_Count	0
135413534	Defined_Atom_Stereo_Count	1
153816117	Molecular_Weight	113.11
55560	Hydrogen_Bond_Acceptor_Count	8
44565819	Hydrogen_Bond_Donor_Count	3
137644	Total_Formal_Charge	0
446987	Defined_Atom_Stereo_Count	2
14572930	TPSA	44.8
3001	Molecular_Weight	372.5
11154711	Defined_Bond_Stereo_Count	0
11539562	TPSA	93.7
5893	Non-hydrogen_Atom_Count	44
21014990	Defined_Atom_Stereo_Count	0
19793985	Exact_Mass	255.05315777
65940	Undefined_Atom_Stereo_Count	0
673473	Isotope_Atom_Count	0
12161	Molecular_Weight	118.18
50222	Non-hydrogen_Atom_Count	31
544563	TPSA	12.5
135738851	Hydrogen_Bond_Donor_Count	7
88091	Mono_Isotopic_Weight	243.1389920
52945793	Rotatable_Bond_Count	6
7910	Structure_Complexity	41.4
7343	Rotatable_Bond_Count	3
30822	Covalent_Unit_Count	1
55284379	Total_Formal_Charge	0
47955	TPSA	40.5
10138260	Rotatable_Bond_Count	6
135686255	Non-hydrogen_Atom_Count	17
71382907	Structure_Complexity	131
46882191	Exact_Mass	420.22737416
45073621	Undefined_Bond_Stereo_Count	0
1365	Structure_Complexity	698
140565377	Molecular_Weight	181.16
24879665	Undefined_Bond_Stereo_Count	0
447555	TPSA	134
89274700	TPSA	49.8
17531	Molecular_Weight	345.4
5927	Tautomer_Count	1
23721629	TPSA	60.4
16049289	Hydrogen_Bond_Acceptor_Count	7
62656	Exact_Mass	125.90349
3447	Isotope_Atom_Count	0
137699058	Undefined_Bond_Stereo_Count	0
11286501	Defined_Bond_Stereo_Count	0
143856	Defined_Bond_Stereo_Count	0
11269429	Undefined_Atom_Stereo_Count	0
15096	Isotope_Atom_Count	0
34632	Undefined_Atom_Stereo_Count	0
4558	Undefined_Bond_Stereo_Count	1
8151	XLogP3-AA	0.3
448222	Molecular_Weight	308.29
16117309	Isotope_Atom_Count	0
44455701	XLogP3-AA	3.8
5464262	Covalent_Unit_Count	4
528166	TPSA	0
36392	XLogP3	5
4727	Covalent_Unit_Count	1
20652033	Total_Formal_Charge	0
440967	Hydrogen_Bond_Donor_Count	0
71341351	Undefined_Bond_Stereo_Count	1
44590517	Non-hydrogen_Atom_Count	34
1549133	Hydrogen_Bond_Acceptor_Count	4
9915861	Undefined_Bond_Stereo_Count	0
45120378	Total_Formal_Charge	0
135413528	Tautomer_Count	3
7149	Non-hydrogen_Atom_Count	10
117059122	Rotatable_Bond_Count	8
456390	Exact_Mass	413.01418
90977886	Molecular_Weight	110.20
8425	Hydrogen_Bond_Acceptor_Count	1
85542272	Rotatable_Bond_Count	2
100413	Total_Formal_Charge	0
135887820	XLogP3-AA	6.7
53956290	Non-hydrogen_Atom_Count	27
59	Tautomer_Count	1
92850	Hydrogen_Bond_Donor_Count	0
2763275	Mono_Isotopic_Weight	110.059246208
14786610	Defined_Bond_Stereo_Count	0
129826870	Hydrogen_Bond_Donor_Count	0
5078	Defined_Atom_Stereo_Count	0
87321867	Undefined_Atom_Stereo_Count	0
30323	Mono_Isotopic_Weight	527.17914612
42094	Undefined_Atom_Stereo_Count	1
40308	Tautomer_Count	1
135403657	Mono_Isotopic_Weight	522.00664561
124087	Covalent_Unit_Count	1
8674	Structure_Complexity	527
79633	Structure_Complexity	325
84221363	Defined_Atom_Stereo_Count	0
9960	Total_Formal_Charge	0
57458911	Structure_Complexity	364
306211	Hydrogen_Bond_Acceptor_Count	3
11543746	TPSA	57.8
61583	Defined_Bond_Stereo_Count	0
11852	Mono_Isotopic_Weight	483.59443
3034393	Covalent_Unit_Count	1
20497487	Non-hydrogen_Atom_Count	7
19422150	Rotatable_Bond_Count	1
24877326	Isotope_Atom_Count	0
156580566	TPSA	125
67885	Mono_Isotopic_Weight	208.99114725
8797	Defined_Bond_Stereo_Count	0
5284530	Hydrogen_Bond_Donor_Count	3
447482	Total_Formal_Charge	0
75195	Covalent_Unit_Count	1
4630913	Structure_Complexity	542
962001	Defined_Bond_Stereo_Count	0
27952	Undefined_Atom_Stereo_Count	0
30699	Molecular_Weight	423.5
9867605	Rotatable_Bond_Count	4
8351	Covalent_Unit_Count	1
33874	Covalent_Unit_Count	1
128423	Total_Formal_Charge	0
50925404	XLogP3-AA	3.7
53322382	Hydrogen_Bond_Acceptor_Count	4
68973	Exact_Mass	48.012887157
124031779	Covalent_Unit_Count	1
54392263	Structure_Complexity	66.8
66603768	Exact_Mass	351.1560986
13382	Total_Formal_Charge	0
53486702	Exact_Mass	388.03102
10888051	Defined_Bond_Stereo_Count	0
53145	Non-hydrogen_Atom_Count	6
67320864	Molecular_Weight	113.11
52038	Defined_Bond_Stereo_Count	0
22947120	Structure_Complexity	126
565106	Isotope_Atom_Count	0
6294	Undefined_Bond_Stereo_Count	0
36821	Covalent_Unit_Count	1
7181	Hydrogen_Bond_Donor_Count	2
64769	Mono_Isotopic_Weight	368.1350288
443157	Defined_Atom_Stereo_Count	1
5388993	Defined_Bond_Stereo_Count	0
40520	Rotatable_Bond_Count	6
498142	Rotatable_Bond_Count	0
57656232	Non-hydrogen_Atom_Count	7
3375	Mono_Isotopic_Weight	410.19048031
559645	Non-hydrogen_Atom_Count	8
11734	Undefined_Atom_Stereo_Count	1
54598306	Undefined_Bond_Stereo_Count	0
15980838	Total_Formal_Charge	0
60820	Exact_Mass	421.27292737
57258462	Total_Formal_Charge	0
12008703	Mono_Isotopic_Weight	105.057849228
16421	Hydrogen_Bond_Donor_Count	0
19101060	Undefined_Bond_Stereo_Count	0
55414	Undefined_Bond_Stereo_Count	0
2093	Hydrogen_Bond_Acceptor_Count	0
102483	Tautomer_Count	1
11954316	Defined_Atom_Stereo_Count	0
21873177	Total_Formal_Charge	0
17184	Defined_Bond_Stereo_Count	0
87979966	Hydrogen_Bond_Acceptor_Count	3
79076	Undefined_Atom_Stereo_Count	1
81099	Exact_Mass	137.084063974
136420	Non-hydrogen_Atom_Count	23
62097	Tautomer_Count	2
88483	Mono_Isotopic_Weight	115.063328530
67533	TPSA	6.5
5288393	Covalent_Unit_Count	1
53323075	Hydrogen_Bond_Acceptor_Count	8
547678	Mono_Isotopic_Weight	116.047344113
19137	Hydrogen_Bond_Acceptor_Count	3
131770024	TPSA	57.2
160157	Undefined_Atom_Stereo_Count	0
6677	Non-hydrogen_Atom_Count	34
14325613	Defined_Atom_Stereo_Count	0
23352408	Structure_Complexity	96.6
49869037	Isotope_Atom_Count	0
12314120	Mono_Isotopic_Weight	548.29853298
44392124	Non-hydrogen_Atom_Count	36
93131	Structure_Complexity	146
5283134	Total_Formal_Charge	0
6436057	Isotope_Atom_Count	0
11320929	Mono_Isotopic_Weight	116.047344113
4403	Undefined_Bond_Stereo_Count	0
17747460	Hydrogen_Bond_Donor_Count	0
522769	Isotope_Atom_Count	0
3512	Covalent_Unit_Count	1
138149697	Total_Formal_Charge	0
71587	Undefined_Atom_Stereo_Count	0
694	Exact_Mass	122.048012819
65894	Defined_Bond_Stereo_Count	0
65125	Exact_Mass	112.03851076
6918457	XLogP3-AA	3.2
636398	XLogP3	4.2
9817917	Covalent_Unit_Count	1
53484514	Hydrogen_Bond_Acceptor_Count	3
2763750	Undefined_Bond_Stereo_Count	0
564654	Hydrogen_Bond_Donor_Count	0
1549622	Rotatable_Bond_Count	4
888	Undefined_Bond_Stereo_Count	0
54298868	Defined_Atom_Stereo_Count	0
16395904	Isotope_Atom_Count	0
5353830	Total_Formal_Charge	0
131750798	Total_Formal_Charge	0
44308032	Hydrogen_Bond_Acceptor_Count	4
33613	Rotatable_Bond_Count	4
1013432	Rotatable_Bond_Count	4
11446296	TPSA	40.5
22348659	Isotope_Atom_Count	0
12572	Rotatable_Bond_Count	2
72898	Undefined_Bond_Stereo_Count	0
56851705	Rotatable_Bond_Count	3
6427110	Total_Formal_Charge	0
71584405	Hydrogen_Bond_Donor_Count	2
29971	Exact_Mass	102.079312947
73707513	Hydrogen_Bond_Acceptor_Count	10
55241	Rotatable_Bond_Count	7
9893228	Defined_Atom_Stereo_Count	0
6757	Covalent_Unit_Count	1
121750	Structure_Complexity	503
81762	Rotatable_Bond_Count	3
178438	Undefined_Atom_Stereo_Count	0
23567801	Molecular_Weight	112.17
56627	Molecular_Weight	510.3
11387	Undefined_Bond_Stereo_Count	0
126981343	Defined_Bond_Stereo_Count	0
5281894	Defined_Atom_Stereo_Count	0
75836	Exact_Mass	214.193280068
3000668	Hydrogen_Bond_Donor_Count	1
59450	Total_Formal_Charge	1
68602	Exact_Mass	200.131348519
57438703	Hydrogen_Bond_Acceptor_Count	6
40469377	Total_Formal_Charge	1
5311104	Isotope_Atom_Count	0
78576	Molecular_Weight	189.26
82851	Undefined_Bond_Stereo_Count	0
9549179	Isotope_Atom_Count	0
99378	Hydrogen_Bond_Donor_Count	1
11043	Molecular_Weight	351.12
644160	Total_Formal_Charge	0
43834	Rotatable_Bond_Count	5
6432238	Exact_Mass	49.99680632
12209481	XLogP3-AA	1.2
21651128	Molecular_Weight	117.15
16850	Hydrogen_Bond_Acceptor_Count	5
34306	Exact_Mass	204.11840105
10032582	Undefined_Atom_Stereo_Count	0
137705128	Hydrogen_Bond_Acceptor_Count	14
91867648	Exact_Mass	13.005739
12448	XLogP3-AA	3.7
9019	Hydrogen_Bond_Donor_Count	0
14435951	XLogP3-AA	0.5
101333850	Defined_Atom_Stereo_Count	2
164610	Mono_Isotopic_Weight	262.074227566
25590	Tautomer_Count	1
79048	XLogP3-AA	1.1
3392731	Non-hydrogen_Atom_Count	35
19819	Defined_Atom_Stereo_Count	0
15858955	Defined_Bond_Stereo_Count	1
9992	Structure_Complexity	74.4
86248095	XLogP3-AA	0.7
40159	Tautomer_Count	1
12758013	Undefined_Bond_Stereo_Count	0
135403805	TPSA	102
122172547	Non-hydrogen_Atom_Count	85
80274	Hydrogen_Bond_Donor_Count	3
100937012	Rotatable_Bond_Count	0
19933060	Structure_Complexity	60.5
3336	TPSA	12
14669	Rotatable_Bond_Count	4
479503	Hydrogen_Bond_Donor_Count	3
64432	XLogP3-AA	3
88209	Exact_Mass	203.9744848
7220	Mono_Isotopic_Weight	119.048347172
52934127	Mono_Isotopic_Weight	423.1462027
130956	Defined_Bond_Stereo_Count	0
64156	Undefined_Atom_Stereo_Count	0
3959	Covalent_Unit_Count	1
439280	Exact_Mass	220.08479225
68109743	Undefined_Atom_Stereo_Count	0
2728	Defined_Bond_Stereo_Count	0
20448997	Covalent_Unit_Count	1
79316	Total_Formal_Charge	0
130917941	Rotatable_Bond_Count	3
9568637	Covalent_Unit_Count	11
5321765	Exact_Mass	338.15180918
673534	Isotope_Atom_Count	0
20576	Isotope_Atom_Count	0
3942	Undefined_Atom_Stereo_Count	0
129897177	Defined_Bond_Stereo_Count	2
6722	Isotope_Atom_Count	0
98495	Non-hydrogen_Atom_Count	11
11454	Undefined_Atom_Stereo_Count	1
105427130	Structure_Complexity	77.7
24944555	Defined_Bond_Stereo_Count	0
5205	Hydrogen_Bond_Acceptor_Count	1
138	Non-hydrogen_Atom_Count	8
135942119	Undefined_Atom_Stereo_Count	0
71744109	Total_Formal_Charge	0
139086112	XLogP3-AA	1.7
124823816	TPSA	20.2
12677196	TPSA	9.2
21853	Total_Formal_Charge	0
54422686	Undefined_Bond_Stereo_Count	0
84106834	TPSA	12
21766189	Non-hydrogen_Atom_Count	8
32698	Defined_Atom_Stereo_Count	0
642325	Defined_Bond_Stereo_Count	0
20699949	Hydrogen_Bond_Acceptor_Count	2
71433133	Covalent_Unit_Count	1
14172370	Defined_Atom_Stereo_Count	0
10080395	Molecular_Weight	120.58
219990	Undefined_Atom_Stereo_Count	0
70693116	Non-hydrogen_Atom_Count	31
29746	Exact_Mass	182.167065321
25660	Hydrogen_Bond_Acceptor_Count	2
10035228	Exact_Mass	181.06674293
557021	Tautomer_Count	1
12023	Total_Formal_Charge	0
448903	Defined_Bond_Stereo_Count	0
75816	Undefined_Atom_Stereo_Count	0
93898	Defined_Atom_Stereo_Count	0
6509808	Exact_Mass	515.19124889
24706	Isotope_Atom_Count	0
618566	XLogP3-AA	6.6
48384	Structure_Complexity	242
94306	Tautomer_Count	1
79076	Hydrogen_Bond_Acceptor_Count	7
5587	Undefined_Bond_Stereo_Count	0
167	Undefined_Atom_Stereo_Count	0
109198	Total_Formal_Charge	0
656506	Undefined_Bond_Stereo_Count	1
67322	Exact_Mass	236.17360725
447213	Exact_Mass	151.099714038
101180753	Covalent_Unit_Count	1
55287849	Non-hydrogen_Atom_Count	7
141174518	Undefined_Bond_Stereo_Count	0
53357478	Covalent_Unit_Count	1
20591	Exact_Mass	151.063328530
7233	Hydrogen_Bond_Donor_Count	1
10949	Hydrogen_Bond_Acceptor_Count	5
2758223	Exact_Mass	197.9751535
20139920	Defined_Atom_Stereo_Count	0
1123	Defined_Atom_Stereo_Count	0
17754220	Undefined_Atom_Stereo_Count	0
66708587	Covalent_Unit_Count	1
12295224	Total_Formal_Charge	0
9230	Hydrogen_Bond_Acceptor_Count	0
138403272	Defined_Atom_Stereo_Count	18
439791	Undefined_Atom_Stereo_Count	0
73946427	Defined_Bond_Stereo_Count	2
64644	TPSA	121
317883	Mono_Isotopic_Weight	378.08518617
133920	Hydrogen_Bond_Acceptor_Count	11
643976	Exact_Mass	456.10461526
9679	Isotope_Atom_Count	0
16969	Non-hydrogen_Atom_Count	9
5489029	Tautomer_Count	1
1123	Rotatable_Bond_Count	2
52141942	Non-hydrogen_Atom_Count	8
56972160	Total_Formal_Charge	0
1548887	Total_Formal_Charge	0
9662	Molecular_Weight	98.48
74183	Total_Formal_Charge	0
10130120	Non-hydrogen_Atom_Count	10
17617	Covalent_Unit_Count	1
558206	Hydrogen_Bond_Acceptor_Count	1
43636	Rotatable_Bond_Count	0
9100	Hydrogen_Bond_Donor_Count	0
71452602	Covalent_Unit_Count	1
200424	Defined_Atom_Stereo_Count	0
14385	Total_Formal_Charge	0
34296	Mono_Isotopic_Weight	112.03467143
96132	Structure_Complexity	124
91468	Tautomer_Count	2
89769287	Hydrogen_Bond_Acceptor_Count	2
53032	Structure_Complexity	491
78493	XLogP3-AA	2.1
75846	TPSA	76.4
21538770	Total_Formal_Charge	0
38350	Hydrogen_Bond_Acceptor_Count	5
520847	Covalent_Unit_Count	1
58028426	Hydrogen_Bond_Acceptor_Count	3
3908	Exact_Mass	496.26070817
72200721	Molecular_Weight	522.4
97171	Covalent_Unit_Count	1
5282426	Covalent_Unit_Count	1
32816	XLogP3	3.2
11317	Mono_Isotopic_Weight	156.093900383
12146	Molecular_Weight	142.20
4659	Molecular_Weight	407.14
23684827	Mono_Isotopic_Weight	138.97039376
22477643	Mono_Isotopic_Weight	106.053098200
95961	Molecular_Weight	140.14
17779	Mono_Isotopic_Weight	112.125200510
95902	Mono_Isotopic_Weight	286.10659032
398687	Hydrogen_Bond_Acceptor_Count	5
28417	Tautomer_Count	1
9989237	Undefined_Atom_Stereo_Count	0
7520	Exact_Mass	124.03467143
53856650	Hydrogen_Bond_Donor_Count	0
237766	Hydrogen_Bond_Donor_Count	0
118984445	Isotope_Atom_Count	0
11510932	Molecular_Weight	461.4
3388301	Isotope_Atom_Count	0
9874838	Molecular_Weight	657.8
20190406	Structure_Complexity	94.5
81093	Non-hydrogen_Atom_Count	8
69671	Total_Formal_Charge	0
688297	Molecular_Weight	217.02
773938	Defined_Atom_Stereo_Count	1
13315542	Rotatable_Bond_Count	1
6992788	Hydrogen_Bond_Donor_Count	1
2736548	TPSA	17.1
15559154	Total_Formal_Charge	0
47198	Tautomer_Count	3
9570985	Rotatable_Bond_Count	7
8181	Mono_Isotopic_Weight	270.255880323
146678829	TPSA	0
69663	Non-hydrogen_Atom_Count	6
5274271	Isotope_Atom_Count	0
27503	Non-hydrogen_Atom_Count	36
81450	Exact_Mass	230.03612798
53319118	Exact_Mass	521.25258584
80507	Non-hydrogen_Atom_Count	7
61048	Isotope_Atom_Count	0
21987892	Structure_Complexity	144
5791	Tautomer_Count	10
88210	XLogP3-AA	6.6
15096	Structure_Complexity	104
515574	Defined_Atom_Stereo_Count	0
452254	Exact_Mass	355.94971
50914184	Defined_Atom_Stereo_Count	0
13001614	Mono_Isotopic_Weight	115.074561919
24197462	TPSA	76.6
4650	Structure_Complexity	149
17750123	Covalent_Unit_Count	1
24757924	Undefined_Bond_Stereo_Count	0
3034394	Rotatable_Bond_Count	4
197066	TPSA	152
10314851	Rotatable_Bond_Count	6
9829419	Molecular_Weight	529.5
2377	Structure_Complexity	238
3831985	Molecular_Weight	440.6
17019	Mono_Isotopic_Weight	270.00441
4156734	Defined_Bond_Stereo_Count	0
122738	Structure_Complexity	925
79571	Rotatable_Bond_Count	5
642110	Hydrogen_Bond_Acceptor_Count	2
79535	TPSA	20.2
131059	Defined_Atom_Stereo_Count	0
14601092	Defined_Bond_Stereo_Count	0
21228	Total_Formal_Charge	0
58126	Non-hydrogen_Atom_Count	15
88212048	Mono_Isotopic_Weight	118.062994177
94904	Rotatable_Bond_Count	0
20975302	Mono_Isotopic_Weight	117.042593085
78006	Total_Formal_Charge	0
8087	Non-hydrogen_Atom_Count	9
11261	Structure_Complexity	43.4
543047	Hydrogen_Bond_Donor_Count	1
101142583	Covalent_Unit_Count	1
4622	Structure_Complexity	288
9147	Non-hydrogen_Atom_Count	15
46900403	Molecular_Weight	351.4
135738681	Total_Formal_Charge	0
46882191	Rotatable_Bond_Count	4
10297818	Undefined_Atom_Stereo_Count	0
21133161	XLogP3-AA	1.1
17920260	Molecular_Weight	112.17
83372	TPSA	45.8
21718085	Undefined_Atom_Stereo_Count	2
10328	Mono_Isotopic_Weight	119.073499291
10131132	Undefined_Bond_Stereo_Count	0
403805	Hydrogen_Bond_Donor_Count	8
65287	Non-hydrogen_Atom_Count	16
644235	Tautomer_Count	1
57082085	Isotope_Atom_Count	0
132598553	Covalent_Unit_Count	1
115227	TPSA	70.2
17799937	Molecular_Weight	98.15
60195904	Isotope_Atom_Count	0
60196260	Covalent_Unit_Count	2
2537	Hydrogen_Bond_Acceptor_Count	1
6857473	Defined_Atom_Stereo_Count	5
49517	Non-hydrogen_Atom_Count	41
22833341	Rotatable_Bond_Count	17
3084250	Total_Formal_Charge	0
274074	Non-hydrogen_Atom_Count	28
5282045	Non-hydrogen_Atom_Count	55
24268	Non-hydrogen_Atom_Count	5
82362	Mono_Isotopic_Weight	684.06850721
1127	Total_Formal_Charge	0
51030901	Exact_Mass	446.14265630
7012	Hydrogen_Bond_Donor_Count	1
825522	Undefined_Bond_Stereo_Count	0
124	Tautomer_Count	2
647840	Hydrogen_Bond_Acceptor_Count	6
135421876	Hydrogen_Bond_Donor_Count	2
19935256	TPSA	78.1
66509091	Mono_Isotopic_Weight	915.51914999
13020083	Isotope_Atom_Count	0
1266	Undefined_Atom_Stereo_Count	1
25195346	Defined_Bond_Stereo_Count	0
5249	Rotatable_Bond_Count	12
5709	Covalent_Unit_Count	1
3456	Hydrogen_Bond_Acceptor_Count	3
868031	Total_Formal_Charge	0
9899402	Undefined_Atom_Stereo_Count	0
60921	Structure_Complexity	979
12541465	Molecular_Weight	166.60
3640	Hydrogen_Bond_Donor_Count	3
537092	Mono_Isotopic_Weight	132.115029749
83569	Rotatable_Bond_Count	3
8095	XLogP3-AA	0.3
55710	Isotope_Atom_Count	0
143466591	TPSA	21.6
2097895	Hydrogen_Bond_Donor_Count	1
24144	Molecular_Weight	388.5
165870	Hydrogen_Bond_Acceptor_Count	3
50895	Mono_Isotopic_Weight	361.0328700
101603227	Structure_Complexity	1410
139243814	Exact_Mass	80.053659862
17982851	Rotatable_Bond_Count	0
12302681	Covalent_Unit_Count	1
19789137	Mono_Isotopic_Weight	144.115029749
145305028	Structure_Complexity	86.1
45266540	Defined_Atom_Stereo_Count	5
513	Rotatable_Bond_Count	5
1005	Molecular_Weight	168.04
20545753	Hydrogen_Bond_Donor_Count	3
111206	Undefined_Bond_Stereo_Count	1
27400	Undefined_Atom_Stereo_Count	0
22318	Defined_Atom_Stereo_Count	0
114911	Total_Formal_Charge	0
20684386	Covalent_Unit_Count	1
44414678	XLogP3-AA	4.3
42185	TPSA	65.1
135612794	Tautomer_Count	17
78808	Non-hydrogen_Atom_Count	6
9919942	Molecular_Weight	1166.1
18414892	Hydrogen_Bond_Acceptor_Count	4
1140	Exact_Mass	92.062600255
73233	Defined_Bond_Stereo_Count	0
54572627	Rotatable_Bond_Count	2
763	Covalent_Unit_Count	1
59277791	Hydrogen_Bond_Acceptor_Count	2
11974	Undefined_Bond_Stereo_Count	0
330654	Rotatable_Bond_Count	1
449392	Rotatable_Bond_Count	4
53734710	Hydrogen_Bond_Acceptor_Count	2
84878	Exact_Mass	29.997988624
285118	Undefined_Atom_Stereo_Count	0
60196291	TPSA	606
49869877	Hydrogen_Bond_Donor_Count	2
5291	Exact_Mass	493.25900864
1252769	Exact_Mass	110.02286070
148931549	Defined_Bond_Stereo_Count	1
79014	Hydrogen_Bond_Acceptor_Count	3
670580	Hydrogen_Bond_Donor_Count	0
7259	Rotatable_Bond_Count	0
11788287	Molecular_Weight	116.16
5288598	Mono_Isotopic_Weight	238.09535693
24266	Undefined_Atom_Stereo_Count	0
88276	Structure_Complexity	169
19601345	Mono_Isotopic_Weight	87.068413911
10892838	Hydrogen_Bond_Acceptor_Count	2
62802	Non-hydrogen_Atom_Count	16
14337609	XLogP3-AA	0.9
53743621	Total_Formal_Charge	0
7470	Non-hydrogen_Atom_Count	10
54525629	Undefined_Bond_Stereo_Count	0
9806063	Isotope_Atom_Count	0
26421	Defined_Atom_Stereo_Count	0
194791	Non-hydrogen_Atom_Count	55
449343	Hydrogen_Bond_Donor_Count	5
56971	XLogP3-AA	1.5
124220089	Undefined_Bond_Stereo_Count	0
36572	Hydrogen_Bond_Donor_Count	0
54150248	TPSA	38.4
12370	Undefined_Bond_Stereo_Count	0
46861540	Mono_Isotopic_Weight	459.090805
9805	Rotatable_Bond_Count	0
96809	Covalent_Unit_Count	1
193001	Covalent_Unit_Count	1
9803963	Defined_Atom_Stereo_Count	0
28540	Hydrogen_Bond_Acceptor_Count	2
98527	XLogP3	2.1
2968	Isotope_Atom_Count	0
10912274	Mono_Isotopic_Weight	260.00481
19080487	Exact_Mass	98.073164938
274418	Undefined_Bond_Stereo_Count	0
177085	Rotatable_Bond_Count	4
162918373	Isotope_Atom_Count	0
5284373	Rotatable_Bond_Count	15
67568	XLogP3-AA	3
11869222	Rotatable_Bond_Count	3
441243	Undefined_Bond_Stereo_Count	0
21998212	Exact_Mass	101.047678466
39238	Isotope_Atom_Count	0
29701	Defined_Atom_Stereo_Count	0
102592515	Rotatable_Bond_Count	0
12559	Rotatable_Bond_Count	23
673832	Defined_Atom_Stereo_Count	0
79337	Non-hydrogen_Atom_Count	16
9936727	Defined_Bond_Stereo_Count	0
4284331	Covalent_Unit_Count	1
6433091	Undefined_Atom_Stereo_Count	2
34452	Covalent_Unit_Count	1
104607	TPSA	44.4
56845432	Non-hydrogen_Atom_Count	12
25070193	Molecular_Weight	427.4
3330	Non-hydrogen_Atom_Count	18
91315907	Undefined_Atom_Stereo_Count	0
97043	Isotope_Atom_Count	0
146159501	Defined_Atom_Stereo_Count	1
12452021	XLogP3-AA	1.2
29742	Tautomer_Count	13
3032600	Defined_Bond_Stereo_Count	0
9952446	Covalent_Unit_Count	1
22603628	Covalent_Unit_Count	1
267449	Molecular_Weight	286.32
62669683	Undefined_Atom_Stereo_Count	0
44338979	TPSA	167
178438	Isotope_Atom_Count	0
77342	Covalent_Unit_Count	1
656743	Rotatable_Bond_Count	3
20841747	Defined_Atom_Stereo_Count	0
17945614	Undefined_Bond_Stereo_Count	0
2798315	Exact_Mass	284.02893460
86656004	Rotatable_Bond_Count	2
12704953	Isotope_Atom_Count	0
10771	Molecular_Weight	248.71
18999	Isotope_Atom_Count	0
726370	Defined_Atom_Stereo_Count	0
4726	Covalent_Unit_Count	1
154522874	Exact_Mass	98.084398327
2724290	Undefined_Atom_Stereo_Count	0
6642	Rotatable_Bond_Count	5
40949	Structure_Complexity	470
9910975	Structure_Complexity	544
82261	Non-hydrogen_Atom_Count	12
143886	Non-hydrogen_Atom_Count	8
119432	Hydrogen_Bond_Acceptor_Count	1
4496	Tautomer_Count	2
123754760	Molecular_Weight	110.20
197740	Total_Formal_Charge	0
590596	Undefined_Bond_Stereo_Count	0
2783176	Mono_Isotopic_Weight	115.02335542
11005	Hydrogen_Bond_Acceptor_Count	2
5829	Isotope_Atom_Count	0
77881	Exact_Mass	238.75296
7929	Molecular_Weight	106.16
40512	Mono_Isotopic_Weight	216.14739250
147594753	Defined_Bond_Stereo_Count	0
11957593	TPSA	28.7
14512532	Undefined_Bond_Stereo_Count	0
12942137	Non-hydrogen_Atom_Count	21
12596780	Defined_Atom_Stereo_Count	0
58814044	Exact_Mass	96.068748264
71459167	TPSA	85.8
81896	Undefined_Bond_Stereo_Count	0
137073	Covalent_Unit_Count	1
136228204	Tautomer_Count	3
3794	Hydrogen_Bond_Acceptor_Count	6
62398142	TPSA	35.8
14069104	Undefined_Atom_Stereo_Count	2
10966200	Undefined_Bond_Stereo_Count	0
66297	Structure_Complexity	8
67698	Defined_Bond_Stereo_Count	0
7791	Undefined_Atom_Stereo_Count	2
80224	Undefined_Atom_Stereo_Count	0
13676	Undefined_Atom_Stereo_Count	1
10766	Undefined_Atom_Stereo_Count	1
455798	Undefined_Atom_Stereo_Count	0
6902	Molecular_Weight	150.13
1252264	Defined_Atom_Stereo_Count	0
44324941	TPSA	69.2
56955071	Isotope_Atom_Count	0
589692	Covalent_Unit_Count	1
69507	Molecular_Weight	260.14
135423770	Total_Formal_Charge	0
71072050	Structure_Complexity	644
8989	Undefined_Bond_Stereo_Count	0
158796	Hydrogen_Bond_Donor_Count	2
72614909	Undefined_Atom_Stereo_Count	0
123662875	TPSA	52
5359967	Hydrogen_Bond_Donor_Count	0
11412863	Defined_Atom_Stereo_Count	4
9285	Tautomer_Count	1
7094	Exact_Mass	166.172150702
12029691	XLogP3-AA	4.9
46228506	Rotatable_Bond_Count	2
44393512	Exact_Mass	1201.84136802
87481476	Covalent_Unit_Count	1
6173	Rotatable_Bond_Count	2
6399650	Covalent_Unit_Count	1
63958	Total_Formal_Charge	0
73895182	Mono_Isotopic_Weight	315.04913502
91746164	Mono_Isotopic_Weight	559.07167442
68127236	Structure_Complexity	157
23925	Exact_Mass	55.934936
54756	Mono_Isotopic_Weight	160.125200510
66587032	Mono_Isotopic_Weight	424.09431117
22002061	Molecular_Weight	116.16
60155459	XLogP3-AA	1.9
11819042	Isotope_Atom_Count	0
11547499	TPSA	132
87244770	Molecular_Weight	116.11
75453	XLogP3-AA	3.8
62016	Rotatable_Bond_Count	14
473148	Hydrogen_Bond_Donor_Count	2
5218	Undefined_Bond_Stereo_Count	0
11672491	Total_Formal_Charge	0
130113566	Defined_Atom_Stereo_Count	0
129873330	Covalent_Unit_Count	1
3033690	Structure_Complexity	582
619387	Isotope_Atom_Count	0
5284650	Undefined_Atom_Stereo_Count	0
104904	Mono_Isotopic_Weight	199.12084340
10900	Hydrogen_Bond_Donor_Count	0
2392	TPSA	84.1
9971484	Undefined_Bond_Stereo_Count	0
46132	Isotope_Atom_Count	0
20759	XLogP3-AA	0.5
9812642	Non-hydrogen_Atom_Count	101
20072996	Molecular_Weight	101.15
6989253	Molecular_Weight	117.15
43184	Structure_Complexity	190
131756	Covalent_Unit_Count	2
403804	Isotope_Atom_Count	0
5776	Defined_Bond_Stereo_Count	0
58126	Hydrogen_Bond_Donor_Count	1
961	Undefined_Atom_Stereo_Count	0
13019073	Undefined_Bond_Stereo_Count	0
13469007	Mono_Isotopic_Weight	115.026943022
550825	Isotope_Atom_Count	0
9964079	TPSA	64.2
16957	TPSA	0
197465	Undefined_Bond_Stereo_Count	0
21041051	Undefined_Atom_Stereo_Count	0
22779	Undefined_Atom_Stereo_Count	1
14808025	Mono_Isotopic_Weight	101.047678466
54679076	Undefined_Atom_Stereo_Count	0
1785	Molecular_Weight	392.5
3232583	Hydrogen_Bond_Acceptor_Count	6
57396473	Undefined_Atom_Stereo_Count	0
80788	Defined_Atom_Stereo_Count	0
21881641	XLogP3-AA	4.2
154522874	XLogP3-AA	0.4
81421	Defined_Bond_Stereo_Count	0
28332	Non-hydrogen_Atom_Count	39
71335300	Molecular_Weight	110.15
12148754	TPSA	98.7
21721168	Mono_Isotopic_Weight	129.01878364
40466988	Rotatable_Bond_Count	11
565843	TPSA	109
5287792	Covalent_Unit_Count	1
441174	XLogP3-AA	2.4
6034	Undefined_Bond_Stereo_Count	0
688323	TPSA	41.1
3552	Hydrogen_Bond_Donor_Count	1
19001	Tautomer_Count	1
4786	Undefined_Bond_Stereo_Count	0
546717	Non-hydrogen_Atom_Count	13
60196386	Covalent_Unit_Count	2
70144	Molecular_Weight	164.16
44599207	Isotope_Atom_Count	0
1379	Mono_Isotopic_Weight	358.30830982
16726	TPSA	69.7
13483161	Undefined_Atom_Stereo_Count	0
105125	Defined_Atom_Stereo_Count	0
13690	Undefined_Atom_Stereo_Count	0
81761	Molecular_Weight	444.0
4514	Mono_Isotopic_Weight	412.1302182
439196	Exact_Mass	154.01222190
39187	Undefined_Atom_Stereo_Count	1
123792659	Mono_Isotopic_Weight	110.109550447
3731	Rotatable_Bond_Count	10
5284342	Defined_Bond_Stereo_Count	0
9839190	XLogP3-AA	1.1
2728077	Total_Formal_Charge	0
46884664	Defined_Bond_Stereo_Count	0
5281764	Rotatable_Bond_Count	11
97391	TPSA	0
12539494	Mono_Isotopic_Weight	94.078250319
54064807	Molecular_Weight	112.17
15271454	Exact_Mass	95.037113783
25015556	Mono_Isotopic_Weight	534.29545371
27422	Structure_Complexity	104
5489012	Tautomer_Count	2
50633	Total_Formal_Charge	0
25069561	Molecular_Weight	443.4
544861	Non-hydrogen_Atom_Count	7
25114553	Non-hydrogen_Atom_Count	36
60904070	Isotope_Atom_Count	0
13297	Hydrogen_Bond_Donor_Count	1
13270940	Rotatable_Bond_Count	0
44353367	Exact_Mass	344.0119330
11517146	Structure_Complexity	568
8395	Structure_Complexity	492
123448160	Defined_Atom_Stereo_Count	0
20798667	Structure_Complexity	48.1
14502976	Defined_Bond_Stereo_Count	0
801471	Defined_Atom_Stereo_Count	2
21943994	Molecular_Weight	690.8
42471	Molecular_Weight	382.0
846962	Isotope_Atom_Count	0
4662	Undefined_Atom_Stereo_Count	8
968688	Isotope_Atom_Count	0
14072448	Structure_Complexity	78.4
24208	XLogP3-AA	3.5
6328	Tautomer_Count	1
129636415	TPSA	180
61670	Defined_Atom_Stereo_Count	0
44456889	Mono_Isotopic_Weight	271.04807239
562676	XLogP3-AA	2.6
88866	Structure_Complexity	299
294864	Defined_Atom_Stereo_Count	0
10291931	Defined_Bond_Stereo_Count	0
53317992	Covalent_Unit_Count	1
11510567	Defined_Bond_Stereo_Count	0
7195	Rotatable_Bond_Count	0
6875	Mono_Isotopic_Weight	248.152477885
13493	Defined_Bond_Stereo_Count	0
6752	Undefined_Bond_Stereo_Count	0
222572	Isotope_Atom_Count	0
9923162	Defined_Bond_Stereo_Count	0
5081	Covalent_Unit_Count	1
6325	Total_Formal_Charge	0
9528	Tautomer_Count	1
15457	Structure_Complexity	43.3
424353	Undefined_Atom_Stereo_Count	3
126521	TPSA	167
76152	Defined_Atom_Stereo_Count	0
279305	Defined_Atom_Stereo_Count	0
11344909	Isotope_Atom_Count	0
5384293	Covalent_Unit_Count	1
6919175	Undefined_Bond_Stereo_Count	0
9304	Structure_Complexity	300
443942	Rotatable_Bond_Count	4
72054	Hydrogen_Bond_Donor_Count	1
73509	Defined_Atom_Stereo_Count	0
144402393	Isotope_Atom_Count	0
66558601	Structure_Complexity	651
441348	Undefined_Atom_Stereo_Count	0
24900874	TPSA	128
165880629	TPSA	41.2
517045	Molecular_Weight	82.03
11921	Defined_Bond_Stereo_Count	0
2312	Undefined_Atom_Stereo_Count	0
22057915	XLogP3-AA	0.5
7025	Hydrogen_Bond_Donor_Count	1
156693	Undefined_Atom_Stereo_Count	0
2734903	Hydrogen_Bond_Donor_Count	0
79173	Undefined_Atom_Stereo_Count	0
6538981	Mono_Isotopic_Weight	486.1337794
19787479	Molecular_Weight	82.10
69319	Undefined_Atom_Stereo_Count	0
10044510	Hydrogen_Bond_Donor_Count	1
53793878	Covalent_Unit_Count	1
9743	Exact_Mass	112.032442941
10384141	Non-hydrogen_Atom_Count	27
53232451	Undefined_Atom_Stereo_Count	0
8581	Mono_Isotopic_Weight	665.15868546
11332442	Defined_Bond_Stereo_Count	0
97747	Rotatable_Bond_Count	11
11787114	XLogP3-AA	1.6
44144434	Defined_Atom_Stereo_Count	0
292661	Hydrogen_Bond_Donor_Count	3
54700	Tautomer_Count	1
134824657	Non-hydrogen_Atom_Count	38
9926791	Defined_Bond_Stereo_Count	0
67113727	Structure_Complexity	277
18711391	TPSA	0
10058	TPSA	121
153623425	Structure_Complexity	150
66561	Non-hydrogen_Atom_Count	14
6016	Exact_Mass	299.15819492
27211	TPSA	20.3
3032396	XLogP3-AA	1.3
4109	Defined_Bond_Stereo_Count	0
117926	Mono_Isotopic_Weight	115.99320054
10027816	Rotatable_Bond_Count	8
11945	Non-hydrogen_Atom_Count	13
13238893	Mono_Isotopic_Weight	189.07653381
55289386	Hydrogen_Bond_Donor_Count	1
88720280	Total_Formal_Charge	0
16051947	Hydrogen_Bond_Acceptor_Count	11
11094575	Defined_Atom_Stereo_Count	0
805985	Covalent_Unit_Count	1
91847008	Covalent_Unit_Count	1
5708528	Non-hydrogen_Atom_Count	10
153238571	Undefined_Atom_Stereo_Count	2
5361202	Defined_Atom_Stereo_Count	2
110821	Rotatable_Bond_Count	5
220639	Mono_Isotopic_Weight	117.078978594
4329331	XLogP3-AA	4.7
12450	Covalent_Unit_Count	1
65217	Undefined_Bond_Stereo_Count	0
11377	Exact_Mass	144.068748264
139088049	Structure_Complexity	953
2129427	Undefined_Bond_Stereo_Count	0
688561	Molecular_Weight	290.36
20470942	Hydrogen_Bond_Acceptor_Count	2
22352755	Isotope_Atom_Count	0
515574	Structure_Complexity	194
11619076	Undefined_Atom_Stereo_Count	0
7582	Hydrogen_Bond_Donor_Count	1
46936357	Molecular_Weight	632.6
517859	Isotope_Atom_Count	0
23677927	Tautomer_Count	1
164946845	Hydrogen_Bond_Acceptor_Count	19
6627	TPSA	0
62080	Exact_Mass	292.18858861
409474	Mono_Isotopic_Weight	283.157228913
449223	Molecular_Weight	431.6
134613	TPSA	92.4
20112	Undefined_Atom_Stereo_Count	1
62949	Exact_Mass	268.11063033
101601898	Molecular_Weight	304.4
21679645	Non-hydrogen_Atom_Count	8
480242	Exact_Mass	214.07020481
68284	Defined_Atom_Stereo_Count	0
39131	Mono_Isotopic_Weight	218.141913202
12699161	Hydrogen_Bond_Acceptor_Count	1
119096	Molecular_Weight	292.33
31200	Undefined_Atom_Stereo_Count	0
17531	Hydrogen_Bond_Acceptor_Count	7
21501	Tautomer_Count	2
2729	TPSA	28.5
22020033	Structure_Complexity	137
3679	Covalent_Unit_Count	1
22202	Non-hydrogen_Atom_Count	10
441	Hydrogen_Bond_Acceptor_Count	3
13184	Structure_Complexity	52.9
118701651	XLogP3-AA	3.4
17956339	Rotatable_Bond_Count	4
9874591	TPSA	195
86063980	Hydrogen_Bond_Acceptor_Count	2
7146283	Rotatable_Bond_Count	4
3035241	Undefined_Bond_Stereo_Count	0
15129466	Defined_Atom_Stereo_Count	0
16685015	Mono_Isotopic_Weight	533.77790
101924284	Total_Formal_Charge	0
30550	Structure_Complexity	651
64143	Molecular_Weight	567.8
228289	Hydrogen_Bond_Donor_Count	0
9859094	TPSA	0
71312086	Undefined_Bond_Stereo_Count	1
234117	Structure_Complexity	352
82418997	Non-hydrogen_Atom_Count	8
7374	Undefined_Bond_Stereo_Count	0
1561	Undefined_Atom_Stereo_Count	0
109195	Defined_Bond_Stereo_Count	0
136102	Undefined_Atom_Stereo_Count	0
6992099	Undefined_Bond_Stereo_Count	0
17904650	Isotope_Atom_Count	0
5281426	Undefined_Bond_Stereo_Count	0
77084	Defined_Atom_Stereo_Count	0
15608605	XLogP3-AA	3.9
77345	Undefined_Atom_Stereo_Count	0
54373	Non-hydrogen_Atom_Count	79
5311272	Molecular_Weight	432.5
139075087	Undefined_Atom_Stereo_Count	0
7947	TPSA	0
21987711	Non-hydrogen_Atom_Count	8
54144903	Molecular_Weight	101.15
3824	Defined_Bond_Stereo_Count	0
9847721	Mono_Isotopic_Weight	474.19031994
12685	Exact_Mass	152.06023127
522003	Hydrogen_Bond_Acceptor_Count	2
16008685	XLogP3-AA	2.7
5534	Tautomer_Count	1
9084	Molecular_Weight	102.05
3680	Isotope_Atom_Count	0
5754	Total_Formal_Charge	0
10462961	Mono_Isotopic_Weight	783.40948040
639391	Defined_Bond_Stereo_Count	2
12248306	Molecular_Weight	230.14
20590622	Undefined_Bond_Stereo_Count	0
141545	Isotope_Atom_Count	0
5895404	Undefined_Atom_Stereo_Count	0
12488	Undefined_Bond_Stereo_Count	0
9961	XLogP3	0.9
10621	Structure_Complexity	940
14200857	Undefined_Atom_Stereo_Count	0
165411832	Non-hydrogen_Atom_Count	34
74839	Non-hydrogen_Atom_Count	15
154013151	Molecular_Weight	116.11
12285893	Hydrogen_Bond_Acceptor_Count	6
2581	Undefined_Bond_Stereo_Count	0
721947	Hydrogen_Bond_Donor_Count	0
68109743	Isotope_Atom_Count	0
129722163	TPSA	127
14711688	Structure_Complexity	76.6
3823887	TPSA	154
2215	Undefined_Bond_Stereo_Count	0
3032282	TPSA	108
11170949	Hydrogen_Bond_Acceptor_Count	2
3003141	Isotope_Atom_Count	0
52945793	Hydrogen_Bond_Donor_Count	1
115234	Hydrogen_Bond_Donor_Count	1
12414299	Rotatable_Bond_Count	0
70689350	Covalent_Unit_Count	2
492901	Non-hydrogen_Atom_Count	26
56955180	Covalent_Unit_Count	1
15433	Hydrogen_Bond_Acceptor_Count	1
70338843	Structure_Complexity	102
442941	Covalent_Unit_Count	1
19873782	Hydrogen_Bond_Donor_Count	1
12048	Molecular_Weight	100.20
15424	Rotatable_Bond_Count	9
7460	Tautomer_Count	1
99915	Hydrogen_Bond_Acceptor_Count	2
54144952	Undefined_Bond_Stereo_Count	0
9823224	Molecular_Weight	416.6
10796703	Covalent_Unit_Count	1
54670067	Defined_Atom_Stereo_Count	2
71777	Undefined_Bond_Stereo_Count	0
225711	Mono_Isotopic_Weight	102.068079557
16684171	Hydrogen_Bond_Donor_Count	0
5281609	Structure_Complexity	957
452949	Defined_Atom_Stereo_Count	8
21093784	XLogP3-AA	2.7
136081	Mono_Isotopic_Weight	134.01902136
643976	Covalent_Unit_Count	1
774	TPSA	54.7
10217	Hydrogen_Bond_Acceptor_Count	5
11008865	Molecular_Weight	196.29
73229	Covalent_Unit_Count	1
34572	Defined_Bond_Stereo_Count	0
13207481	Defined_Bond_Stereo_Count	0
6371	Hydrogen_Bond_Acceptor_Count	1
11679800	Tautomer_Count	1
54688694	Molecular_Weight	459.4
84647615	Defined_Bond_Stereo_Count	0
119090957	Undefined_Atom_Stereo_Count	0
12960	TPSA	151
55851	Defined_Atom_Stereo_Count	3
95292	Defined_Atom_Stereo_Count	0
527072	Structure_Complexity	282
60196307	Defined_Bond_Stereo_Count	0
70412	Isotope_Atom_Count	0
48558	Isotope_Atom_Count	0
61104	Defined_Bond_Stereo_Count	0
86256506	Structure_Complexity	87.7
11585872	Undefined_Bond_Stereo_Count	0
86170	Tautomer_Count	1
93171	Hydrogen_Bond_Donor_Count	0
284948	Defined_Bond_Stereo_Count	0
436542	Tautomer_Count	1
11197931	Isotope_Atom_Count	0
66261	Covalent_Unit_Count	1
11657	Hydrogen_Bond_Acceptor_Count	0
135421876	Non-hydrogen_Atom_Count	10
54587659	Undefined_Atom_Stereo_Count	0
4686	Exact_Mass	434.21046687
11402147	Rotatable_Bond_Count	5
24361	XLogP3-AA	2.4
41555	Defined_Atom_Stereo_Count	0
5281609	Undefined_Atom_Stereo_Count	0
418296	Total_Formal_Charge	0
6918267	Mono_Isotopic_Weight	755.48197664
637931	Tautomer_Count	1
107377	Non-hydrogen_Atom_Count	18
24197462	Undefined_Bond_Stereo_Count	0
21654475	Molecular_Weight	161.54
3048	Covalent_Unit_Count	1
153655135	Hydrogen_Bond_Donor_Count	2
94228	Hydrogen_Bond_Donor_Count	2
5736	Defined_Atom_Stereo_Count	0
46195832	Tautomer_Count	308
196651	Non-hydrogen_Atom_Count	19
8733	Defined_Atom_Stereo_Count	0
422478	Defined_Bond_Stereo_Count	0
7179	Defined_Atom_Stereo_Count	0
43179	TPSA	20.2
87110	Mono_Isotopic_Weight	151.0188769
141466486	Defined_Bond_Stereo_Count	0
22015243	Exact_Mass	114.068079557
2853	Structure_Complexity	856
24987688	Defined_Atom_Stereo_Count	8
43471	Exact_Mass	165.078978594
102004571	Covalent_Unit_Count	1
458821	TPSA	92.5
56638112	Defined_Atom_Stereo_Count	0
101316975	TPSA	135
60995	Isotope_Atom_Count	0
60778	Rotatable_Bond_Count	7
994868	Molecular_Weight	535.6
98026	Non-hydrogen_Atom_Count	13
11953895	Tautomer_Count	1
21618	Covalent_Unit_Count	1
21872909	Mono_Isotopic_Weight	648.29413356
1951	Defined_Bond_Stereo_Count	0
31593	Mono_Isotopic_Weight	260.09094026
9574962	Isotope_Atom_Count	0
129722292	Undefined_Atom_Stereo_Count	1
55297293	Rotatable_Bond_Count	0
16682930	Mono_Isotopic_Weight	114.0989139
12374	Undefined_Atom_Stereo_Count	0
11409	Undefined_Atom_Stereo_Count	0
67529	Defined_Atom_Stereo_Count	0
390798	Covalent_Unit_Count	1
90895196	Hydrogen_Bond_Donor_Count	5
3239235	Hydrogen_Bond_Donor_Count	2
56463	Total_Formal_Charge	0
18397995	Structure_Complexity	962
83079	Covalent_Unit_Count	1
84590	Undefined_Atom_Stereo_Count	0
2622	Total_Formal_Charge	0
77378	Defined_Bond_Stereo_Count	0
9919265	Structure_Complexity	1830
156907991	Undefined_Bond_Stereo_Count	0
9868041	Mono_Isotopic_Weight	443.12633996
1426	Undefined_Atom_Stereo_Count	1
21943184	Total_Formal_Charge	0
53393583	Hydrogen_Bond_Acceptor_Count	0
25195	Total_Formal_Charge	0
136515	Defined_Bond_Stereo_Count	0
98650	Undefined_Atom_Stereo_Count	0
17779280	Covalent_Unit_Count	1
102362828	Total_Formal_Charge	0
7364357	Isotope_Atom_Count	0
53965310	Isotope_Atom_Count	0
701841	Hydrogen_Bond_Acceptor_Count	4
76008	Structure_Complexity	57.6
10408902	Defined_Atom_Stereo_Count	0
70662473	Hydrogen_Bond_Donor_Count	1
71584419	Hydrogen_Bond_Acceptor_Count	7
819	Defined_Atom_Stereo_Count	0
24838347	Isotope_Atom_Count	0
9903930	Undefined_Atom_Stereo_Count	0
25008	Structure_Complexity	83.4
71172	Defined_Bond_Stereo_Count	0
2795425	Hydrogen_Bond_Donor_Count	0
6418	Tautomer_Count	1
6040503	TPSA	35.5
6271	Undefined_Bond_Stereo_Count	0
124081896	Undefined_Atom_Stereo_Count	0
24892842	TPSA	49.8
7017228	XLogP3-AA	0.9
208924	Defined_Bond_Stereo_Count	0
160557	Non-hydrogen_Atom_Count	12
2130404	Covalent_Unit_Count	1
7017816	Mono_Isotopic_Weight	108.068748264
10819	Rotatable_Bond_Count	2
56973549	TPSA	114
567118	TPSA	64.9
45073462	Rotatable_Bond_Count	4
7351	Hydrogen_Bond_Donor_Count	0
145705672	Structure_Complexity	784
100933147	Total_Formal_Charge	0
20649100	Isotope_Atom_Count	0
3991	Total_Formal_Charge	1
53323075	XLogP3-AA	2.6
11717001	Hydrogen_Bond_Acceptor_Count	5
4884	XLogP3-AA	1
5095	Rotatable_Bond_Count	7
91394869	Structure_Complexity	80.1
61972	Isotope_Atom_Count	0
91661	Total_Formal_Charge	0
15043884	Rotatable_Bond_Count	2
135476770	Exact_Mass	257.11240398
79161	TPSA	0
9590	Mono_Isotopic_Weight	141.02260653
162883450	Total_Formal_Charge	0
54391876	Defined_Bond_Stereo_Count	0
91711338	Hydrogen_Bond_Acceptor_Count	2
14909248	Total_Formal_Charge	0
961	Isotope_Atom_Count	0
91087911	TPSA	20.2
60602	Rotatable_Bond_Count	11
37642	Tautomer_Count	1
9840517	Undefined_Atom_Stereo_Count	0
6256685	Rotatable_Bond_Count	12
350	Mono_Isotopic_Weight	343.08546021
454216	Defined_Atom_Stereo_Count	6
4885	Tautomer_Count	2
232651	Hydrogen_Bond_Donor_Count	1
123452974	Isotope_Atom_Count	0
16217238	Hydrogen_Bond_Acceptor_Count	3
15480319	Exact_Mass	170.95872
77342	XLogP3-AA	0
71140	TPSA	47.3
470202	Defined_Atom_Stereo_Count	0
5281250	Hydrogen_Bond_Donor_Count	0
12523672	TPSA	26
4436967	Molecular_Weight	390.32
546453	Exact_Mass	494.2235301
13314379	Hydrogen_Bond_Donor_Count	0
11098017	Total_Formal_Charge	0
124870720	Molecular_Weight	875.1
11430	Covalent_Unit_Count	3
21546968	Total_Formal_Charge	0
101071970	Hydrogen_Bond_Acceptor_Count	0
74098	Non-hydrogen_Atom_Count	15
7814	Molecular_Weight	108.14
87280032	Defined_Bond_Stereo_Count	0
58258	Structure_Complexity	608
94987	Tautomer_Count	1
5775	Exact_Mass	281.152812238
11408688	Defined_Bond_Stereo_Count	0
34203	XLogP3-AA	2
18283	Rotatable_Bond_Count	2
90956916	Hydrogen_Bond_Donor_Count	0
3084091	Defined_Atom_Stereo_Count	12
10736576	Isotope_Atom_Count	0
59665407	TPSA	120
231360	Isotope_Atom_Count	0
54445181	Isotope_Atom_Count	1
3355	Isotope_Atom_Count	0
8752	Isotope_Atom_Count	0
547	Hydrogen_Bond_Donor_Count	3
8753	Mono_Isotopic_Weight	339.2692779
14869	Structure_Complexity	266
84363	Undefined_Atom_Stereo_Count	0
146356470	Hydrogen_Bond_Donor_Count	1
23378249	TPSA	47.9
17848742	Hydrogen_Bond_Donor_Count	1
77531	Non-hydrogen_Atom_Count	8
68646	Hydrogen_Bond_Donor_Count	2
85531465	Mono_Isotopic_Weight	86.036779430
38971	Non-hydrogen_Atom_Count	29
13307026	Defined_Atom_Stereo_Count	0
10747	Isotope_Atom_Count	0
5280581	Undefined_Bond_Stereo_Count	0
131704205	Isotope_Atom_Count	0
15588	Mono_Isotopic_Weight	287.05422040
76969110	Defined_Bond_Stereo_Count	7
21445949	Hydrogen_Bond_Acceptor_Count	2
16051954	Covalent_Unit_Count	2
54038691	TPSA	20.2
24183437	Covalent_Unit_Count	2
124838013	Non-hydrogen_Atom_Count	59
22754947	Undefined_Bond_Stereo_Count	0
689750	XLogP3-AA	2.1
89131	Defined_Bond_Stereo_Count	0
103648	XLogP3-AA	3.3
31229	Undefined_Atom_Stereo_Count	0
32940	Mono_Isotopic_Weight	287.0825398
136212897	Isotope_Atom_Count	0
317459	Covalent_Unit_Count	1
19073879	Total_Formal_Charge	0
135013065	Undefined_Bond_Stereo_Count	0
3073200	Isotope_Atom_Count	0
12309467	Total_Formal_Charge	0
15474	Defined_Bond_Stereo_Count	0
2682	XLogP3	7.3
70838	Isotope_Atom_Count	0
68322184	Exact_Mass	354.14920402
118984355	Undefined_Bond_Stereo_Count	0
522996	Hydrogen_Bond_Acceptor_Count	0
72704673	Defined_Atom_Stereo_Count	4
164116	Undefined_Atom_Stereo_Count	1
716995	Molecular_Weight	270.33
135503538	Hydrogen_Bond_Donor_Count	4
68840	Exact_Mass	237.151749610
156580481	Covalent_Unit_Count	1
122316	Defined_Bond_Stereo_Count	0
87870846	Molecular_Weight	113.11
175967	TPSA	140
60196306	Covalent_Unit_Count	1
2752445	Hydrogen_Bond_Acceptor_Count	1
121329665	TPSA	190
8090	Mono_Isotopic_Weight	312.302830514
15132	Isotope_Atom_Count	0
145994598	Undefined_Atom_Stereo_Count	3
123911014	Molecular_Weight	90.12
65689	Exact_Mass	424.20971797
702	Defined_Atom_Stereo_Count	0
11540045	Defined_Atom_Stereo_Count	0
81045	Rotatable_Bond_Count	13
54610537	Covalent_Unit_Count	2
1570	Exact_Mass	127.00918496
59999517	Hydrogen_Bond_Acceptor_Count	2
43876	Hydrogen_Bond_Donor_Count	0
1497	Total_Formal_Charge	0
13927379	Rotatable_Bond_Count	4
5971	Isotope_Atom_Count	0
5307	Hydrogen_Bond_Donor_Count	3
18387020	Mono_Isotopic_Weight	115.099714038
11496886	Undefined_Atom_Stereo_Count	0
50923	Tautomer_Count	2
71555	Undefined_Bond_Stereo_Count	0
994627	Non-hydrogen_Atom_Count	27
1519404	Total_Formal_Charge	0
9954114	Defined_Atom_Stereo_Count	0
90472762	Hydrogen_Bond_Donor_Count	5
3476986	Defined_Atom_Stereo_Count	0
14412169	Molecular_Weight	96.13
3932	Hydrogen_Bond_Donor_Count	0
88928	Undefined_Bond_Stereo_Count	0
90915688	Mono_Isotopic_Weight	99.104799419
143331072	Covalent_Unit_Count	1
9898814	XLogP3-AA	0.1
24978601	Molecular_Weight	624.6
4180	Structure_Complexity	236
135398638	Defined_Bond_Stereo_Count	0
38093	Hydrogen_Bond_Donor_Count	3
150841	Hydrogen_Bond_Donor_Count	1
13460453	Undefined_Atom_Stereo_Count	2
49862461	Hydrogen_Bond_Donor_Count	1
796414	Hydrogen_Bond_Acceptor_Count	3
2676	XLogP3-AA	3.6
557816	Undefined_Atom_Stereo_Count	1
19186	Covalent_Unit_Count	1
21364247	Undefined_Bond_Stereo_Count	0
117659387	Molecular_Weight	110.15
96382	Undefined_Atom_Stereo_Count	0
7098	XLogP3	4.6
135445058	Tautomer_Count	13
484651	Hydrogen_Bond_Acceptor_Count	28
941385	Exact_Mass	352.0713660
867	Structure_Complexity	83.1
439302	Structure_Complexity	1870
11350631	XLogP3-AA	5.4
4534	Hydrogen_Bond_Acceptor_Count	4
131697803	Defined_Atom_Stereo_Count	6
21263	Mono_Isotopic_Weight	100.052429494
90657410	Covalent_Unit_Count	1
57545	Rotatable_Bond_Count	7
625230	Undefined_Bond_Stereo_Count	0
69624	TPSA	0
27020	XLogP3-AA	6.2
31249	Rotatable_Bond_Count	7
90127780	Hydrogen_Bond_Acceptor_Count	1
25171648	Covalent_Unit_Count	1
2778339	Isotope_Atom_Count	0
1385867	Rotatable_Bond_Count	3
62669683	Isotope_Atom_Count	0
529274	Isotope_Atom_Count	0
4420	Hydrogen_Bond_Acceptor_Count	4
121891	XLogP3-AA	3
135747268	Exact_Mass	172.0403406
13795008	Undefined_Atom_Stereo_Count	0
6954	Undefined_Atom_Stereo_Count	0
139113917	Hydrogen_Bond_Acceptor_Count	12
2766744	Exact_Mass	362.0200529
986	Isotope_Atom_Count	0
18851	Total_Formal_Charge	0
375814	Isotope_Atom_Count	0
71358240	Molecular_Weight	111.10
29256	Undefined_Bond_Stereo_Count	0
40234	Hydrogen_Bond_Donor_Count	0
71776638	Total_Formal_Charge	0
719625	TPSA	37.3
27383	Covalent_Unit_Count	1
140719461	Rotatable_Bond_Count	0
472812	Mono_Isotopic_Weight	243.0523023
6068	Hydrogen_Bond_Acceptor_Count	2
31283	Non-hydrogen_Atom_Count	18
5702599	Total_Formal_Charge	0
107971	Rotatable_Bond_Count	4
1561	Isotope_Atom_Count	0
13556	Defined_Bond_Stereo_Count	0
86671471	Hydrogen_Bond_Donor_Count	2
12599701	Exact_Mass	102.068079557
11585872	Hydrogen_Bond_Acceptor_Count	2
133923	Tautomer_Count	1
155893809	Non-hydrogen_Atom_Count	8
71825	Exact_Mass	256.109944368
56661920	Undefined_Atom_Stereo_Count	0
13848132	Undefined_Bond_Stereo_Count	0
61375	Defined_Atom_Stereo_Count	0
6883	Total_Formal_Charge	0
10111	Hydrogen_Bond_Acceptor_Count	1
16058881	Hydrogen_Bond_Donor_Count	1
465818	Mono_Isotopic_Weight	369.0801570
45784923	Exact_Mass	605.20500239
57656657	Undefined_Bond_Stereo_Count	0
22833294	Molecular_Weight	377.3
25137873	Molecular_Weight	767.0
642799	Undefined_Atom_Stereo_Count	0
4330531	Non-hydrogen_Atom_Count	27
219100	Defined_Bond_Stereo_Count	0
12899069	Total_Formal_Charge	0
20055404	Rotatable_Bond_Count	7
6950199	Covalent_Unit_Count	1
12751986	Exact_Mass	108.068748264
57394260	Total_Formal_Charge	0
13200	Structure_Complexity	128
11980076	Tautomer_Count	1000
10689555	Isotope_Atom_Count	0
91825644	Hydrogen_Bond_Acceptor_Count	3
10219373	Isotope_Atom_Count	0
11416	Non-hydrogen_Atom_Count	8
2534	Molecular_Weight	1009.2
10176241	Rotatable_Bond_Count	0
3544	Mono_Isotopic_Weight	251.07284784
198136	Non-hydrogen_Atom_Count	25
44410953	Covalent_Unit_Count	1
22078	Defined_Bond_Stereo_Count	0
67214459	Molecular_Weight	111.14
69356	Defined_Atom_Stereo_Count	0
75755	Defined_Atom_Stereo_Count	0
146157455	Total_Formal_Charge	0
474523	Exact_Mass	403.345029678
129694466	Molecular_Weight	952.4
107670	Undefined_Atom_Stereo_Count	0
23655	Exact_Mass	311.2015923
5483624	Hydrogen_Bond_Acceptor_Count	2
587322	Rotatable_Bond_Count	6
10997105	Undefined_Bond_Stereo_Count	0
146158974	Defined_Bond_Stereo_Count	0
12295391	Hydrogen_Bond_Acceptor_Count	4
67669	Hydrogen_Bond_Donor_Count	0
22123753	Rotatable_Bond_Count	4
3035914	Exact_Mass	258.15929460
839611	Hydrogen_Bond_Acceptor_Count	4
16722832	Molecular_Weight	509.7
70754	Hydrogen_Bond_Acceptor_Count	1
57173187	Total_Formal_Charge	0
23681909	Undefined_Bond_Stereo_Count	0
10295970	Total_Formal_Charge	0
135442941	Covalent_Unit_Count	2
29396	Undefined_Bond_Stereo_Count	0
6318	Total_Formal_Charge	0
60561	Rotatable_Bond_Count	11
8280	XLogP3-AA	0.8
7851	Total_Formal_Charge	0
2795222	XLogP3	0.3
9794806	Hydrogen_Bond_Acceptor_Count	2
22910010	Exact_Mass	112.088815002
91555191	Hydrogen_Bond_Acceptor_Count	0
1993	Isotope_Atom_Count	0
12302694	Non-hydrogen_Atom_Count	23
6344	Structure_Complexity	2.8
11247	Mono_Isotopic_Weight	263.98773
101316975	Non-hydrogen_Atom_Count	38
70346812	Hydrogen_Bond_Donor_Count	1
76956224	Non-hydrogen_Atom_Count	31
94169	Hydrogen_Bond_Acceptor_Count	11
5353355	Non-hydrogen_Atom_Count	23
69561	Hydrogen_Bond_Donor_Count	3
3494	Hydrogen_Bond_Donor_Count	1
11159354	Structure_Complexity	134
66191	Hydrogen_Bond_Donor_Count	0
20831824	Total_Formal_Charge	0
16051969	Non-hydrogen_Atom_Count	78
95763	Exact_Mass	245.0065981
85792	Non-hydrogen_Atom_Count	14
221961	Total_Formal_Charge	0
5330175	Non-hydrogen_Atom_Count	31
87503479	Undefined_Bond_Stereo_Count	0
83086	Mono_Isotopic_Weight	75.032028402
14794987	Structure_Complexity	54.9
60627	Structure_Complexity	539
11108856	Covalent_Unit_Count	1
13146993	Defined_Atom_Stereo_Count	0
135413504	Total_Formal_Charge	0
23662369	Rotatable_Bond_Count	5
14222	Total_Formal_Charge	0
18952320	Hydrogen_Bond_Acceptor_Count	1
8106	Defined_Bond_Stereo_Count	0
507	Defined_Bond_Stereo_Count	0
11948	XLogP3	5.5
5281116	Mono_Isotopic_Weight	338.318480578
5232201	Defined_Bond_Stereo_Count	0
7152	Exact_Mass	177.06372245
53684795	Defined_Bond_Stereo_Count	0
57149850	Defined_Atom_Stereo_Count	0
15394	Undefined_Atom_Stereo_Count	0
5282443	Total_Formal_Charge	0
44809	Covalent_Unit_Count	3
540987	Rotatable_Bond_Count	12
139089144	Undefined_Bond_Stereo_Count	0
5281884	Molecular_Weight	1214.6
123924	XLogP3-AA	4.9
455579	Molecular_Weight	367.5
70935	Hydrogen_Bond_Donor_Count	2
9931954	Rotatable_Bond_Count	3
60496	Defined_Bond_Stereo_Count	0
551428	Non-hydrogen_Atom_Count	8
22976356	Total_Formal_Charge	0
57272093	Rotatable_Bond_Count	3
446069	Structure_Complexity	417
456255	Structure_Complexity	777
62651	Rotatable_Bond_Count	0
56603728	Hydrogen_Bond_Acceptor_Count	5
154461366	Exact_Mass	107.037113783
7654	Structure_Complexity	137
7048703	TPSA	97.2
409347	Defined_Bond_Stereo_Count	0
71076901	Defined_Bond_Stereo_Count	0
7512	Undefined_Atom_Stereo_Count	0
151093	Undefined_Atom_Stereo_Count	0
5257909	Defined_Bond_Stereo_Count	0
21787	Defined_Atom_Stereo_Count	0
91759534	Rotatable_Bond_Count	2
6921800	Defined_Atom_Stereo_Count	2
68737	Isotope_Atom_Count	0
56680325	Covalent_Unit_Count	1
135979919	Non-hydrogen_Atom_Count	24
446873	Exact_Mass	169.01400935
82982	Molecular_Weight	572.6
20592372	Non-hydrogen_Atom_Count	7
13159	Rotatable_Bond_Count	2
42337	Hydrogen_Bond_Donor_Count	0
22112092	Non-hydrogen_Atom_Count	7
16760503	Isotope_Atom_Count	0
1549133	Undefined_Atom_Stereo_Count	0
83884	Hydrogen_Bond_Acceptor_Count	9
9956	Defined_Atom_Stereo_Count	0
57395308	Hydrogen_Bond_Donor_Count	4
55298701	Total_Formal_Charge	0
1783	Undefined_Atom_Stereo_Count	0
24864721	Rotatable_Bond_Count	9
4679699	Non-hydrogen_Atom_Count	12
643786	Hydrogen_Bond_Donor_Count	0
11640390	Exact_Mass	421.19026037
3510	Isotope_Atom_Count	0
6506	Defined_Atom_Stereo_Count	0
16212480	Defined_Atom_Stereo_Count	4
7201	Non-hydrogen_Atom_Count	10
92873	XLogP3-AA	7.6
53320294	Total_Formal_Charge	0
36314	TPSA	221
12194	Molecular_Weight	116.16
662877	Defined_Atom_Stereo_Count	0
44814423	Rotatable_Bond_Count	6
453077	Mono_Isotopic_Weight	220.100048391
14295	TPSA	20.2
4068533	Molecular_Weight	94.04
9218	Hydrogen_Bond_Acceptor_Count	3
97971	Hydrogen_Bond_Acceptor_Count	3
95578	Exact_Mass	208.00989
84998	Total_Formal_Charge	0
44305779	Undefined_Bond_Stereo_Count	0
13199930	Tautomer_Count	1
3034034	Hydrogen_Bond_Acceptor_Count	4
5280581	Hydrogen_Bond_Acceptor_Count	2
86289378	Structure_Complexity	4390
15926139	XLogP3-AA	1.1
72286622	Rotatable_Bond_Count	3
12049	Tautomer_Count	1
25271781	Defined_Atom_Stereo_Count	0
21448982	Defined_Atom_Stereo_Count	0
6437841	XLogP3-AA	6.1
37825	Structure_Complexity	441
9948102	Defined_Bond_Stereo_Count	0
442374	Undefined_Bond_Stereo_Count	0
57398260	Exact_Mass	526.16617453
9810873	Exact_Mass	775.42686180
4369502	Isotope_Atom_Count	0
136316	XLogP3-AA	2.1
94180	Hydrogen_Bond_Acceptor_Count	3
716121	Mono_Isotopic_Weight	274.1236763
23260879	Molecular_Weight	106.09
12434155	Exact_Mass	112.052429494
120095	TPSA	20.2
82161	Non-hydrogen_Atom_Count	18
11725	Hydrogen_Bond_Donor_Count	0
59730586	XLogP3-AA	3
320	Undefined_Bond_Stereo_Count	0
3045380	Total_Formal_Charge	0
12828792	TPSA	33
13612132	Defined_Bond_Stereo_Count	0
89314354	Covalent_Unit_Count	1
128919	Structure_Complexity	541
7011	Exact_Mass	163.099714038
5281758	Structure_Complexity	203
40496	Total_Formal_Charge	0
20473	Molecular_Weight	196.34
26613	Tautomer_Count	1
4570	Defined_Bond_Stereo_Count	0
16760374	Isotope_Atom_Count	0
23368	Mono_Isotopic_Weight	230.15180918
71555	Defined_Atom_Stereo_Count	0
7503	Total_Formal_Charge	0
9102	Total_Formal_Charge	0
5352133	Tautomer_Count	3
54675768	Covalent_Unit_Count	1
586	Hydrogen_Bond_Acceptor_Count	3
6198	Mono_Isotopic_Weight	226.0872908
6427135	Molecular_Weight	170.32
10276962	Structure_Complexity	531
6427476	Total_Formal_Charge	0
24066	Non-hydrogen_Atom_Count	15
65028	Undefined_Bond_Stereo_Count	0
22033763	Defined_Atom_Stereo_Count	0
2628	Defined_Bond_Stereo_Count	0
14653	Molecular_Weight	288.74
125889	Undefined_Atom_Stereo_Count	0
15559317	Mono_Isotopic_Weight	842.51400504
31639	Undefined_Bond_Stereo_Count	0
65924	Covalent_Unit_Count	1
40466884	Total_Formal_Charge	1
44120020	Non-hydrogen_Atom_Count	36
24181146	Non-hydrogen_Atom_Count	22
31378	XLogP3	1.7
53237541	TPSA	68
68321874	Structure_Complexity	582
15145	Hydrogen_Bond_Acceptor_Count	1
15580	Non-hydrogen_Atom_Count	17
11966124	Rotatable_Bond_Count	32
118115	Undefined_Atom_Stereo_Count	1
130035101	Mono_Isotopic_Weight	112.052429494
678293	Molecular_Weight	312.3
37207	Tautomer_Count	1
91805	TPSA	40.9
325385	Defined_Bond_Stereo_Count	0
10214	Defined_Bond_Stereo_Count	0
12053	Rotatable_Bond_Count	1
122316	Total_Formal_Charge	0
134694041	Defined_Atom_Stereo_Count	6
688145	TPSA	29.1
10113430	Total_Formal_Charge	0
92211533	XLogP3-AA	2.6
12719155	Exact_Mass	420.396730897
12614	Total_Formal_Charge	0
3080904	Isotope_Atom_Count	0
17092	Undefined_Atom_Stereo_Count	0
5311110	Covalent_Unit_Count	1
57270176	Covalent_Unit_Count	1
135450591	Mono_Isotopic_Weight	473.16589610
37865	Non-hydrogen_Atom_Count	21
45410	Isotope_Atom_Count	0
15787851	Total_Formal_Charge	0
6054	Rotatable_Bond_Count	2
13351229	Mono_Isotopic_Weight	100.063662883
61743	Molecular_Weight	170.25
69222	Undefined_Bond_Stereo_Count	0
4141306	Structure_Complexity	381
70687331	Isotope_Atom_Count	0
23724819	Tautomer_Count	3
9153	Non-hydrogen_Atom_Count	20
14646171	Structure_Complexity	85.4
8108	Tautomer_Count	1
398635	XLogP3-AA	5
177168	Total_Formal_Charge	0
50923	Isotope_Atom_Count	0
11953960	Rotatable_Bond_Count	8
22181493	Exact_Mass	96.068748264
6711153	XLogP3-AA	7.5
197861	TPSA	20.3
719704	Undefined_Atom_Stereo_Count	0
155487763	Molecular_Weight	1027.2
16754849	TPSA	75.1
53981464	Rotatable_Bond_Count	2
67944290	Exact_Mass	180.06338810
135436533	Undefined_Bond_Stereo_Count	0
752860	Non-hydrogen_Atom_Count	23
70691434	Covalent_Unit_Count	1
12509715	Hydrogen_Bond_Acceptor_Count	1
64648	Total_Formal_Charge	0
4262071	Undefined_Atom_Stereo_Count	5
184822	Hydrogen_Bond_Donor_Count	3
21150622	Defined_Atom_Stereo_Count	0
4224798	Isotope_Atom_Count	0
135483437	Defined_Bond_Stereo_Count	0
4971	Isotope_Atom_Count	0
57401682	Hydrogen_Bond_Donor_Count	2
555285	Molecular_Weight	106.12
136445	Exact_Mass	102.104465066
108381	Tautomer_Count	3
23672329	Isotope_Atom_Count	0
9454	TPSA	71.1
91439614	Defined_Atom_Stereo_Count	0
3601	Undefined_Atom_Stereo_Count	0
84	Covalent_Unit_Count	1
36688091	Mono_Isotopic_Weight	191.11441535
5353760	Molecular_Weight	268.39
90473211	Defined_Atom_Stereo_Count	6
9031	Molecular_Weight	259.68
78358485	Rotatable_Bond_Count	5
67518639	Defined_Atom_Stereo_Count	3
443948	Molecular_Weight	814.0
128798	Hydrogen_Bond_Donor_Count	0
5497195	Hydrogen_Bond_Donor_Count	5
62264	Defined_Bond_Stereo_Count	0
6154037	Tautomer_Count	2
7093	Defined_Atom_Stereo_Count	0
5283748	Undefined_Atom_Stereo_Count	0
80375	XLogP3	4.3
85944	Non-hydrogen_Atom_Count	11
21139953	Hydrogen_Bond_Acceptor_Count	2
3219590	Hydrogen_Bond_Acceptor_Count	5
3162	Exact_Mass	270.173213330
482604	Exact_Mass	284.08575825
54015928	Exact_Mass	97.052763847
87457638	TPSA	86
13524524	Hydrogen_Bond_Donor_Count	0
968625	Molecular_Weight	330.4
66587064	Covalent_Unit_Count	2
446596	Rotatable_Bond_Count	17
6169	Mono_Isotopic_Weight	390.1710204
2064030	Hydrogen_Bond_Acceptor_Count	1
14307964	Molecular_Weight	102.13
25154200	Defined_Bond_Stereo_Count	0
71484	Covalent_Unit_Count	3
12285862	Molecular_Weight	180.16
793	Covalent_Unit_Count	1
58689886	Total_Formal_Charge	0
102063302	Structure_Complexity	270
36879	Rotatable_Bond_Count	4
8739	Rotatable_Bond_Count	2
5352135	Mono_Isotopic_Weight	387.219829168
14829	Total_Formal_Charge	0
30692	XLogP3	3.1
18998026	Defined_Bond_Stereo_Count	0
81476	Undefined_Atom_Stereo_Count	0
87642	Defined_Atom_Stereo_Count	5
10265934	Rotatable_Bond_Count	3
180335	Mono_Isotopic_Weight	351.1423633
63855	Covalent_Unit_Count	1
6338	XLogP3-AA	1.5
108381	Hydrogen_Bond_Acceptor_Count	8
6857497	Rotatable_Bond_Count	0
67210	TPSA	126
103	Undefined_Bond_Stereo_Count	0
53850714	Total_Formal_Charge	0
163316	Molecular_Weight	187.24
5463907	Undefined_Bond_Stereo_Count	0
6918580	Undefined_Atom_Stereo_Count	2
75690	Hydrogen_Bond_Acceptor_Count	3
285097	Non-hydrogen_Atom_Count	13
5328940	Undefined_Atom_Stereo_Count	0
533840	XLogP3-AA	0.6
14782182	Molecular_Weight	115.17
7990	Structure_Complexity	93.2
9952	TPSA	29.5
123167244	Undefined_Bond_Stereo_Count	0
89392	Exact_Mass	186.161979940
21779240	Undefined_Atom_Stereo_Count	0
7966	Molecular_Weight	100.16
444913	Undefined_Atom_Stereo_Count	0
109198	Molecular_Weight	485.7
28610	XLogP3-AA	7
86806	Rotatable_Bond_Count	6
24191118	Structure_Complexity	2.8
22137184	Mono_Isotopic_Weight	98.073164938
135565589	Hydrogen_Bond_Acceptor_Count	13
227085	Rotatable_Bond_Count	2
53630039	Defined_Bond_Stereo_Count	0
158797	Defined_Bond_Stereo_Count	0
23665874	TPSA	69.2
12623599	Rotatable_Bond_Count	1
5289501	XLogP3-AA	7.5
3083540	Molecular_Weight	385.7
125127452	Isotope_Atom_Count	0
15402	Total_Formal_Charge	0
5197257	Undefined_Bond_Stereo_Count	0
40273	Total_Formal_Charge	0
429734	Isotope_Atom_Count	0
87251056	Covalent_Unit_Count	1
11961	Defined_Bond_Stereo_Count	0
76969110	TPSA	355
40466887	Structure_Complexity	614
2813	Undefined_Bond_Stereo_Count	0
528604	Isotope_Atom_Count	0
19604274	Mono_Isotopic_Weight	192.05349212
521196	Defined_Atom_Stereo_Count	0
57306415	Isotope_Atom_Count	0
24901349	Covalent_Unit_Count	1
70516989	Hydrogen_Bond_Donor_Count	1
92806	Undefined_Bond_Stereo_Count	0
6950	Structure_Complexity	298
55290041	Molecular_Weight	115.13
11077077	Undefined_Atom_Stereo_Count	0
445395	Hydrogen_Bond_Acceptor_Count	11
136726	Undefined_Atom_Stereo_Count	2
137994	Structure_Complexity	159
5984	Rotatable_Bond_Count	5
20334570	Mono_Isotopic_Weight	116.083729621
3086514	Tautomer_Count	1
521226	TPSA	0
8878	XLogP3-AA	3.2
43002	Hydrogen_Bond_Donor_Count	1
520668	Undefined_Atom_Stereo_Count	0
2724505	TPSA	63.3
14813	Undefined_Atom_Stereo_Count	0
56663314	Hydrogen_Bond_Donor_Count	1
549482	TPSA	17.1
66000	TPSA	126
76198	Total_Formal_Charge	0
83979	Mono_Isotopic_Weight	543.17406074
9892540	Isotope_Atom_Count	0
4921934	Total_Formal_Charge	1
57992030	Covalent_Unit_Count	1
8068	Tautomer_Count	1
3084338	TPSA	35.2
24233	Total_Formal_Charge	0
5702628	Rotatable_Bond_Count	2
32924	Molecular_Weight	196.25
40030	Defined_Atom_Stereo_Count	0
24892716	Non-hydrogen_Atom_Count	109
101094784	Non-hydrogen_Atom_Count	28
22224184	Total_Formal_Charge	0
24875318	Undefined_Bond_Stereo_Count	0
3032910	TPSA	63.6
86876	Hydrogen_Bond_Donor_Count	0
117891679	Undefined_Atom_Stereo_Count	0
9530	Undefined_Bond_Stereo_Count	0
71587288	Covalent_Unit_Count	2
69251960	Undefined_Atom_Stereo_Count	0
60956	Tautomer_Count	1
10444413	Covalent_Unit_Count	1
42078	Defined_Bond_Stereo_Count	0
31204	Structure_Complexity	316
583540	Hydrogen_Bond_Acceptor_Count	3
69588	TPSA	28.7
70144	Undefined_Atom_Stereo_Count	0
26651	Non-hydrogen_Atom_Count	30
60668	Rotatable_Bond_Count	7
64950	Hydrogen_Bond_Acceptor_Count	2
53407792	Rotatable_Bond_Count	0
180559	TPSA	84.6
141251795	Structure_Complexity	162
11954009	Tautomer_Count	105
154209129	Defined_Atom_Stereo_Count	0
42105518	Hydrogen_Bond_Acceptor_Count	1
37144	Undefined_Bond_Stereo_Count	0
166558989	Non-hydrogen_Atom_Count	8
85605344	Hydrogen_Bond_Acceptor_Count	1
141096113	Isotope_Atom_Count	0
640180	Defined_Atom_Stereo_Count	0
5288706	Isotope_Atom_Count	0
58247643	Hydrogen_Bond_Donor_Count	1
123909	Undefined_Atom_Stereo_Count	1
145712239	TPSA	304
93079	Isotope_Atom_Count	0
54678431	Undefined_Bond_Stereo_Count	0
118210808	XLogP3-AA	0.3
107670	Isotope_Atom_Count	0
134689784	Molecular_Weight	702.9
57370084	Covalent_Unit_Count	1
4584	Defined_Bond_Stereo_Count	0
102446	TPSA	0
101874073	Isotope_Atom_Count	0
11170934	Hydrogen_Bond_Donor_Count	0
36688153	Exact_Mass	288.175224706
59772010	Undefined_Atom_Stereo_Count	0
854019	Molecular_Weight	176.21
442374	Defined_Atom_Stereo_Count	0
46201499	Tautomer_Count	1
64337	Hydrogen_Bond_Donor_Count	2
67417	Undefined_Atom_Stereo_Count	0
143780	Tautomer_Count	1
126575987	Defined_Bond_Stereo_Count	0
45791267	Defined_Bond_Stereo_Count	0
18757800	Molecular_Weight	147.17
12544	Defined_Atom_Stereo_Count	10
8497	Hydrogen_Bond_Donor_Count	1
20708	Isotope_Atom_Count	0
122449120	Molecular_Weight	100.12
163319916	TPSA	0
68861	Non-hydrogen_Atom_Count	23
61054	Covalent_Unit_Count	1
23187246	Defined_Bond_Stereo_Count	0
38910	Structure_Complexity	58
436542	XLogP3-AA	3.3
28429	Structure_Complexity	98.3
159326	Structure_Complexity	516
7213679	XLogP3	2.3
13187	Undefined_Bond_Stereo_Count	0
13087010	Mono_Isotopic_Weight	332.23514488
25074469	Mono_Isotopic_Weight	1698.72556297
119607	Rotatable_Bond_Count	3
69170	Non-hydrogen_Atom_Count	16
19006610	Exact_Mass	114.104465066
11049	Molecular_Weight	647.9
2547	Hydrogen_Bond_Donor_Count	14
3693	Undefined_Bond_Stereo_Count	0
318	Exact_Mass	992.513202
139075879	Defined_Atom_Stereo_Count	0
59908032	Undefined_Bond_Stereo_Count	0
66	TPSA	20.2
8265	Exact_Mass	369.810560
9837124	TPSA	132
21880519	Mono_Isotopic_Weight	144.151415257
70692035	Hydrogen_Bond_Donor_Count	1
18380130	Molecular_Weight	116.12
12487261	Defined_Bond_Stereo_Count	0
130904	Defined_Atom_Stereo_Count	5
170364	Total_Formal_Charge	0
69763756	Defined_Atom_Stereo_Count	0
642765	Non-hydrogen_Atom_Count	8
6604189	Exact_Mass	556.39885615
71751553	Molecular_Weight	396.3
71399	Exact_Mass	445.1404486
126968609	Hydrogen_Bond_Acceptor_Count	5
299643	Hydrogen_Bond_Donor_Count	1
45117213	XLogP3	1.7
84363	Isotope_Atom_Count	0
1201	Non-hydrogen_Atom_Count	27
22033763	Hydrogen_Bond_Acceptor_Count	2
57888	Mono_Isotopic_Weight	356.20999276
12986478	Structure_Complexity	103
16219049	Structure_Complexity	869
265652	Molecular_Weight	106.15
6537505	Mono_Isotopic_Weight	250.15689456
12487261	Exact_Mass	116.047344113
46853632	Isotope_Atom_Count	0
135391139	Molecular_Weight	785.9
94396	Undefined_Bond_Stereo_Count	1
31255	Undefined_Atom_Stereo_Count	0
68802	Covalent_Unit_Count	1
55288133	Hydrogen_Bond_Donor_Count	1
5284544	Exact_Mass	515.22407968
5366149	Structure_Complexity	70.1
6420040	Undefined_Atom_Stereo_Count	0
53723270	Undefined_Atom_Stereo_Count	0
13559474	Isotope_Atom_Count	0
18735	Non-hydrogen_Atom_Count	17
91475	Exact_Mass	334.25079494
14989493	Undefined_Atom_Stereo_Count	0
1728	Defined_Atom_Stereo_Count	0
18327808	Defined_Atom_Stereo_Count	0
17473	Covalent_Unit_Count	1
135887824	Covalent_Unit_Count	1
57586319	Undefined_Bond_Stereo_Count	0
12542141	TPSA	17.1
15027981	XLogP3-AA	1
54584258	Hydrogen_Bond_Donor_Count	0
2734167	TPSA	8.8
590907	XLogP3-AA	4.5
31284	XLogP3	6.8
66813453	Molecular_Weight	101.10
77011628	Defined_Atom_Stereo_Count	0
15940870	Exact_Mass	232.109944368
21192822	Non-hydrogen_Atom_Count	29
23350	XLogP3-AA	0
153884978	Mono_Isotopic_Weight	113.058911855
86811394	Mono_Isotopic_Weight	373.97117
124159	Molecular_Weight	84.12
660	Hydrogen_Bond_Acceptor_Count	2
59107407	Covalent_Unit_Count	1
15529	Hydrogen_Bond_Donor_Count	1
84661	Rotatable_Bond_Count	2
5884	Mono_Isotopic_Weight	745.09110351
98723	Defined_Bond_Stereo_Count	0
542352	Exact_Mass	100.088815002
65987055	Defined_Atom_Stereo_Count	0
3849	XLogP3-AA	5.9
156619387	Defined_Bond_Stereo_Count	3
3593	Rotatable_Bond_Count	2
274075	TPSA	58.1
4141306	Rotatable_Bond_Count	7
11655511	XLogP3-AA	2.8
44126086	Hydrogen_Bond_Donor_Count	2
24635	Hydrogen_Bond_Donor_Count	0
25171648	Mono_Isotopic_Weight	492.22737416
23418	TPSA	96.3
94570	Non-hydrogen_Atom_Count	12
123156	Total_Formal_Charge	0
6347538	Structure_Complexity	590
20517187	Defined_Bond_Stereo_Count	0
8791	Non-hydrogen_Atom_Count	21
12205	Mono_Isotopic_Weight	180.0221037
71482	Molecular_Weight	324.68
77720	Exact_Mass	223.08445790
44329367	Total_Formal_Charge	0
12314510	Undefined_Bond_Stereo_Count	0
9818	Hydrogen_Bond_Acceptor_Count	6
2724159	Defined_Atom_Stereo_Count	1
165157	Structure_Complexity	1500
7059	XLogP3	2.6
50385	Molecular_Weight	364.4
21303152	XLogP3-AA	0
53990905	Isotope_Atom_Count	0
19900876	Covalent_Unit_Count	1
179822	Mono_Isotopic_Weight	403.78292
22843	Covalent_Unit_Count	1
44143311	Structure_Complexity	576
40391	TPSA	32.7
21715587	Mono_Isotopic_Weight	110.048012819
14067844	Molecular_Weight	111.10
2155	Exact_Mass	100.00951931
10159191	Defined_Bond_Stereo_Count	0
13416	Structure_Complexity	126
103565751	XLogP3-AA	0
14682	TPSA	0
23519822	TPSA	151
108199	Hydrogen_Bond_Acceptor_Count	3
135424354	Tautomer_Count	17
6533629	Molecular_Weight	383.4
763185	Total_Formal_Charge	0
76126	Isotope_Atom_Count	0
11006	Non-hydrogen_Atom_Count	16
25517	Total_Formal_Charge	0
9928397	Hydrogen_Bond_Acceptor_Count	4
49091	Defined_Atom_Stereo_Count	0
57952	Molecular_Weight	380.4
9885961	Isotope_Atom_Count	0
21201338	Molecular_Weight	203.26
66703794	Exact_Mass	171.05449518
41097850	Covalent_Unit_Count	1
60044069	Exact_Mass	284.16237386
73958	Mono_Isotopic_Weight	110.073164938
90771502	Defined_Bond_Stereo_Count	0
9578243	Molecular_Weight	292.33
2779031	Isotope_Atom_Count	0
40826	Undefined_Atom_Stereo_Count	1
16063245	Mono_Isotopic_Weight	530.17904181
59295946	Hydrogen_Bond_Donor_Count	5
141319360	Covalent_Unit_Count	1
6435401	Hydrogen_Bond_Acceptor_Count	8
86322	Molecular_Weight	167.20
14880677	Molecular_Weight	113.16
11281445	Total_Formal_Charge	0
70039	Non-hydrogen_Atom_Count	16
31492	Hydrogen_Bond_Acceptor_Count	2
446308	XLogP3-AA	4.9
129297096	Rotatable_Bond_Count	1
5282109	Mono_Isotopic_Weight	182.130679813
23677829	Defined_Atom_Stereo_Count	0
640997	Exact_Mass	106.062994177
1319	Exact_Mass	304.109944368
167605	Non-hydrogen_Atom_Count	6
91573287	Undefined_Atom_Stereo_Count	0
129486	Structure_Complexity	474
13867380	Mono_Isotopic_Weight	113.00884817
254656	Covalent_Unit_Count	1
73653033	Hydrogen_Bond_Donor_Count	1
5743568	TPSA	104
300166	Structure_Complexity	125
89074	Molecular_Weight	377.06
49865971	Defined_Bond_Stereo_Count	0
145858	Exact_Mass	207.080989970
24191	Undefined_Bond_Stereo_Count	1
3725082	Non-hydrogen_Atom_Count	15
130349042	Covalent_Unit_Count	1
96237	Molecular_Weight	286.3
231934	Undefined_Atom_Stereo_Count	0
12425338	Defined_Atom_Stereo_Count	0
9244	XLogP3-AA	0.8
56955070	Molecular_Weight	368.4
92094	Rotatable_Bond_Count	12
3641	Structure_Complexity	786
135401234	Hydrogen_Bond_Acceptor_Count	8
19606581	Hydrogen_Bond_Acceptor_Count	4
3267	Defined_Atom_Stereo_Count	0
67375395	Mono_Isotopic_Weight	411.16952493
11584	Hydrogen_Bond_Donor_Count	0
16683023	Undefined_Bond_Stereo_Count	0
68891	Hydrogen_Bond_Donor_Count	0
57401368	Mono_Isotopic_Weight	432.21951207
3685	Exact_Mass	497.16858144
12581088	Molecular_Weight	110.16
115072	Molecular_Weight	248.32
13113546	Molecular_Weight	99.13
1214	Rotatable_Bond_Count	2
91667591	Mono_Isotopic_Weight	977.2875094
6855	Isotope_Atom_Count	0
16211884	Mono_Isotopic_Weight	182.06663009
95745	Hydrogen_Bond_Acceptor_Count	3
14435951	Hydrogen_Bond_Acceptor_Count	1
126843096	Defined_Atom_Stereo_Count	20
12778904	Mono_Isotopic_Weight	84.068748264
9808844	Rotatable_Bond_Count	6
54676715	Rotatable_Bond_Count	9
668601	Isotope_Atom_Count	0
5281888	Isotope_Atom_Count	0
558206	Defined_Bond_Stereo_Count	0
4649	Exact_Mass	153.042593085
471583	Hydrogen_Bond_Acceptor_Count	8
124009720	XLogP3-AA	0.2
24829330	TPSA	137
22712811	Rotatable_Bond_Count	0
117045887	Defined_Bond_Stereo_Count	0
36829	Tautomer_Count	1
54292409	Structure_Complexity	98.7
51392	Exact_Mass	284.282763776
75776	Tautomer_Count	1
2724896	Undefined_Atom_Stereo_Count	0
135398515	Mono_Isotopic_Weight	317.01803556
123217920	Molecular_Weight	98.10
53803945	XLogP3-AA	3
20312802	Isotope_Atom_Count	0
42000	Non-hydrogen_Atom_Count	18
819440	Defined_Bond_Stereo_Count	0
28431	Exact_Mass	114.068079557
12787245	Molecular_Weight	97.12
53480	Covalent_Unit_Count	1
124762103	Exact_Mass	342.11621151
21537133	Mono_Isotopic_Weight	116.047344113
222155	Rotatable_Bond_Count	5
21674229	Molecular_Weight	654.8
76356	Hydrogen_Bond_Donor_Count	1
129148	Covalent_Unit_Count	1
17166	Hydrogen_Bond_Donor_Count	0
7312	Molecular_Weight	163.69
67963	Exact_Mass	195.0062613
64966	Hydrogen_Bond_Acceptor_Count	4
785244	Defined_Atom_Stereo_Count	2
57478179	Undefined_Bond_Stereo_Count	0
61208	XLogP3-AA	1
9848818	Tautomer_Count	2
72155	Exact_Mass	307.1451400
43815	Defined_Atom_Stereo_Count	2
139030973	Covalent_Unit_Count	3
153	Defined_Bond_Stereo_Count	0
175468	Tautomer_Count	2
68115	TPSA	59.9
7959	Isotope_Atom_Count	0
53211	Structure_Complexity	449
521874	Mono_Isotopic_Weight	83.0137915
13272656	Total_Formal_Charge	0
281478	Mono_Isotopic_Weight	84.057514874
162349	Total_Formal_Charge	0
443605	Undefined_Atom_Stereo_Count	2
18795108	Rotatable_Bond_Count	2
73356	Hydrogen_Bond_Donor_Count	2
656823	Hydrogen_Bond_Acceptor_Count	8
11962143	Structure_Complexity	327
162639102	Undefined_Atom_Stereo_Count	0
94508	Defined_Atom_Stereo_Count	0
8248	Tautomer_Count	6
25015677	Mono_Isotopic_Weight	543.27694433
1201546	Exact_Mass	132.96560607
16202184	TPSA	99.4
6921	Total_Formal_Charge	0
19784587	Undefined_Atom_Stereo_Count	1
135686255	Total_Formal_Charge	0
85669790	XLogP3-AA	1.7
81729	Defined_Atom_Stereo_Count	0
47641	Hydrogen_Bond_Acceptor_Count	1
11556910	Covalent_Unit_Count	1
9817550	Undefined_Bond_Stereo_Count	0
6437071	Covalent_Unit_Count	1
135399895	Non-hydrogen_Atom_Count	8
72728884	Exact_Mass	97.089149355
71612	Mono_Isotopic_Weight	410.1527835
56626310	Molecular_Weight	226.27
5340	Defined_Atom_Stereo_Count	0
69064	Covalent_Unit_Count	1
29778	Rotatable_Bond_Count	4
50901	TPSA	68.9
192826	Isotope_Atom_Count	0
83528703	Undefined_Atom_Stereo_Count	0
5458165	Non-hydrogen_Atom_Count	37
70685175	Structure_Complexity	683
881	Hydrogen_Bond_Donor_Count	0
6553	Hydrogen_Bond_Donor_Count	0
410615	Undefined_Atom_Stereo_Count	1
72076	Undefined_Atom_Stereo_Count	0
447700	Hydrogen_Bond_Acceptor_Count	5
77843966	Tautomer_Count	308
227085	TPSA	39.2
160565	Non-hydrogen_Atom_Count	21
5311505	Rotatable_Bond_Count	5
117488	Isotope_Atom_Count	0
14319	Non-hydrogen_Atom_Count	12
97383	Undefined_Bond_Stereo_Count	0
118856278	Structure_Complexity	749
156432753	Hydrogen_Bond_Donor_Count	3
29566	Hydrogen_Bond_Donor_Count	2
38884	Covalent_Unit_Count	1
14671581	Non-hydrogen_Atom_Count	8
413728	Mono_Isotopic_Weight	478.322223289
193	Exact_Mass	384.12158893
18622368	Non-hydrogen_Atom_Count	8
71640	Total_Formal_Charge	0
15394	Isotope_Atom_Count	0
130509102	Molecular_Weight	114.15
148931547	Exact_Mass	1201.84136802
156616838	Rotatable_Bond_Count	4
137426	Hydrogen_Bond_Acceptor_Count	1
10771356	TPSA	180
136791	Covalent_Unit_Count	1
58516110	Hydrogen_Bond_Donor_Count	2
14200855	Covalent_Unit_Count	1
23080684	Covalent_Unit_Count	1
3266	Total_Formal_Charge	0
16124688	Mono_Isotopic_Weight	376.10347683
4386	Rotatable_Bond_Count	3
151039	Mono_Isotopic_Weight	100.088815002
9528	Molecular_Weight	182.06
192807	Hydrogen_Bond_Donor_Count	2
52942212	Isotope_Atom_Count	0
5464200	Exact_Mass	284.1291556
159747	Non-hydrogen_Atom_Count	11
13393280	Covalent_Unit_Count	1
19078026	Undefined_Bond_Stereo_Count	0
1368742	Non-hydrogen_Atom_Count	21
25724	XLogP3-AA	1.2
590907	Rotatable_Bond_Count	0
528411	Structure_Complexity	46.8
10427712	Structure_Complexity	483
153067665	Covalent_Unit_Count	1
18981712	TPSA	3.2
10572530	Rotatable_Bond_Count	4
2783279	TPSA	12.9
8722	Defined_Atom_Stereo_Count	0
69251960	Isotope_Atom_Count	0
2222	Non-hydrogen_Atom_Count	53
743295	Non-hydrogen_Atom_Count	18
1240	Tautomer_Count	9
6420019	Hydrogen_Bond_Acceptor_Count	2
94154	Total_Formal_Charge	0
90687044	TPSA	30.7
7243	Hydrogen_Bond_Acceptor_Count	2
71541174	Non-hydrogen_Atom_Count	23
6099	Total_Formal_Charge	0
5702114	Defined_Bond_Stereo_Count	0
19601937	Total_Formal_Charge	0
2239	Covalent_Unit_Count	1
22719613	XLogP3-AA	0.9
54757474	Undefined_Bond_Stereo_Count	0
656980	Total_Formal_Charge	0
2951	Undefined_Bond_Stereo_Count	1
141758017	Total_Formal_Charge	0
11983210	Undefined_Bond_Stereo_Count	0
254598	Undefined_Bond_Stereo_Count	0
20041648	XLogP3-AA	0.4
141814359	Total_Formal_Charge	0
154269	Molecular_Weight	164.11
9895035	Isotope_Atom_Count	0
53779803	Rotatable_Bond_Count	1
10197646	TPSA	49.6
9792	Non-hydrogen_Atom_Count	28
86388	Molecular_Weight	335.4
65620	TPSA	33.1
66027	Undefined_Atom_Stereo_Count	0
4506	Undefined_Bond_Stereo_Count	0
268488	Hydrogen_Bond_Donor_Count	3
16091096	Total_Formal_Charge	0
426	Isotope_Atom_Count	0
10219414	Defined_Atom_Stereo_Count	0
5464110	Defined_Bond_Stereo_Count	0
6537499	Rotatable_Bond_Count	2
28961	Exact_Mass	73.016378338
154776153	Exact_Mass	284.16237386
11992	Molecular_Weight	172.02
13012673	Covalent_Unit_Count	1
6441283	Structure_Complexity	1410
10375	Isotope_Atom_Count	0
7390	Defined_Atom_Stereo_Count	0
134129846	Undefined_Atom_Stereo_Count	1
1550874	Hydrogen_Bond_Donor_Count	2
11344362	Molecular_Weight	181.15
420	Defined_Bond_Stereo_Count	0
86277	Structure_Complexity	370
2051	Molecular_Weight	315.75
1146	Structure_Complexity	8
70689830	TPSA	121
44758	Defined_Atom_Stereo_Count	0
20056743	Non-hydrogen_Atom_Count	26
25561	Hydrogen_Bond_Donor_Count	3
21117498	Structure_Complexity	83.7
135403828	Total_Formal_Charge	0
5407	Defined_Bond_Stereo_Count	0
434207	Defined_Bond_Stereo_Count	0
6437875	Undefined_Atom_Stereo_Count	1
64709	Hydrogen_Bond_Acceptor_Count	8
54258707	Isotope_Atom_Count	0
6713312	Hydrogen_Bond_Acceptor_Count	3
9898279	Isotope_Atom_Count	0
528630	Hydrogen_Bond_Donor_Count	1
22829	Undefined_Bond_Stereo_Count	0
15956520	Hydrogen_Bond_Acceptor_Count	9
101731271	TPSA	3
22181125	Mono_Isotopic_Weight	87.068413911
153655135	Isotope_Atom_Count	0
4460503	Mono_Isotopic_Weight	285.96058025
135413540	Undefined_Bond_Stereo_Count	0
6918939	Exact_Mass	112.087472332
10437166	XLogP3-AA	4.3
12107	Exact_Mass	149.084063974
11081093	Tautomer_Count	1
26312	Undefined_Bond_Stereo_Count	0
5815	Isotope_Atom_Count	0
694678	Non-hydrogen_Atom_Count	22
85743571	Undefined_Bond_Stereo_Count	0
11469444	Rotatable_Bond_Count	1
101870	Defined_Atom_Stereo_Count	0
135487856	Undefined_Atom_Stereo_Count	2
24417	Defined_Bond_Stereo_Count	0
5281708	Rotatable_Bond_Count	1
5342	XLogP3	2.3
5282037	TPSA	123
3058754	Exact_Mass	397.07079698
2284259	Defined_Bond_Stereo_Count	0
44125832	Isotope_Atom_Count	0
66719	Hydrogen_Bond_Acceptor_Count	2
1221	TPSA	102
22986754	Undefined_Atom_Stereo_Count	2
216992	Molecular_Weight	284.4
10275789	Rotatable_Bond_Count	4
54726192	Undefined_Atom_Stereo_Count	0
529331	Structure_Complexity	72.9
127030167	Exact_Mass	932.52271925
160154	Hydrogen_Bond_Acceptor_Count	3
51371486	Mono_Isotopic_Weight	309.06575108
118098295	Undefined_Atom_Stereo_Count	4
17473	Molecular_Weight	580.28
509554	Covalent_Unit_Count	1
636397	TPSA	204
25002426	Total_Formal_Charge	0
7807	Defined_Atom_Stereo_Count	0
53748491	Exact_Mass	342.11621151
8422	Mono_Isotopic_Weight	202.062994177
94217	Undefined_Atom_Stereo_Count	3
84602	Hydrogen_Bond_Donor_Count	0
4688	Molecular_Weight	159.23
14499	Non-hydrogen_Atom_Count	7
139066803	Defined_Atom_Stereo_Count	0
12255457	Undefined_Bond_Stereo_Count	0
20746480	Molecular_Weight	108.10
14520	Total_Formal_Charge	0
5271569	Molecular_Weight	228.28
28343	Tautomer_Count	1
7431	Undefined_Bond_Stereo_Count	0
181583	Defined_Bond_Stereo_Count	0
65482	Undefined_Bond_Stereo_Count	0
59110799	Defined_Atom_Stereo_Count	0
8742	Rotatable_Bond_Count	1
132584645	Hydrogen_Bond_Donor_Count	0
86389	Defined_Bond_Stereo_Count	0
474265	TPSA	67.7
2810830	Isotope_Atom_Count	0
11710	Structure_Complexity	71
71391652	Hydrogen_Bond_Donor_Count	0
10986277	Undefined_Atom_Stereo_Count	0
21713016	Undefined_Bond_Stereo_Count	0
123788466	Exact_Mass	95.048347172
21019	XLogP3-AA	1.8
73917	Undefined_Bond_Stereo_Count	0
40703	TPSA	36.9
2905	Hydrogen_Bond_Acceptor_Count	4
70401991	Covalent_Unit_Count	1
135398638	Molecular_Weight	136.11
66026334	Rotatable_Bond_Count	3
45488107	Structure_Complexity	722
13842461	Hydrogen_Bond_Donor_Count	3
77195	Structure_Complexity	46.1
101181995	Rotatable_Bond_Count	6
6240	Hydrogen_Bond_Acceptor_Count	3
9803788	XLogP3-AA	4.1
11151622	Mono_Isotopic_Weight	329.12632271
22353206	XLogP3-AA	0
18984686	Mono_Isotopic_Weight	99.032028402
156284	Defined_Atom_Stereo_Count	3
1238	Defined_Atom_Stereo_Count	0
10345790	Non-hydrogen_Atom_Count	32
62582	Hydrogen_Bond_Acceptor_Count	0
17756737	Isotope_Atom_Count	0
485083	Structure_Complexity	78.1
123417941	Undefined_Atom_Stereo_Count	0
53672079	Covalent_Unit_Count	1
20550156	Rotatable_Bond_Count	1
119432	Defined_Bond_Stereo_Count	0
87829093	Undefined_Atom_Stereo_Count	0
9815578	Exact_Mass	199.074561919
13009112	XLogP3-AA	0.5
16664362	Covalent_Unit_Count	1
13083763	XLogP3-AA	1.4
613589	Covalent_Unit_Count	1
60195810	XLogP3-AA	1.2
13258	Structure_Complexity	220
122672078	XLogP3-AA	1.2
143321	Rotatable_Bond_Count	0
20298629	Rotatable_Bond_Count	8
5280492	XLogP3-AA	4.1
30373	Isotope_Atom_Count	0
54024247	TPSA	37.3
53628842	Covalent_Unit_Count	3
18644925	Covalent_Unit_Count	1
44563116	Hydrogen_Bond_Donor_Count	1
11009	Undefined_Bond_Stereo_Count	0
4934	Mono_Isotopic_Weight	368.22256882
56955185	Defined_Atom_Stereo_Count	0
21019405	Non-hydrogen_Atom_Count	8
141772581	Defined_Atom_Stereo_Count	0
9330	Non-hydrogen_Atom_Count	24
11407637	Defined_Atom_Stereo_Count	0
59392023	Isotope_Atom_Count	0
158294441	Hydrogen_Bond_Donor_Count	1
102239676	Non-hydrogen_Atom_Count	28
96327588	Defined_Atom_Stereo_Count	16
4739	Structure_Complexity	356
31227	Structure_Complexity	114
10340	TPSA	63.2
70523	Isotope_Atom_Count	0
3170	Hydrogen_Bond_Donor_Count	0
105024	Isotope_Atom_Count	0
8764	Rotatable_Bond_Count	2
448803	Hydrogen_Bond_Donor_Count	6
131853715	Mono_Isotopic_Weight	113.084063974
99828	Non-hydrogen_Atom_Count	15
24901348	Rotatable_Bond_Count	11
13037934	Total_Formal_Charge	0
12519677	Rotatable_Bond_Count	1
56843375	Rotatable_Bond_Count	60
6420022	Exact_Mass	331.1161486
154171248	Exact_Mass	97.052763847
18789128	Covalent_Unit_Count	1
22463	Exact_Mass	350.04352203
4720	Non-hydrogen_Atom_Count	46
9942132	Undefined_Atom_Stereo_Count	1
117683867	Defined_Bond_Stereo_Count	0
168707	Structure_Complexity	489
44366214	Exact_Mass	1034.55759593
71932	XLogP3-AA	4.9
41037	Hydrogen_Bond_Donor_Count	3
6918078	Rotatable_Bond_Count	8
12319472	Molecular_Weight	277.16
23130216	Defined_Bond_Stereo_Count	0
2723730	Exact_Mass	155.0349209
126968498	Undefined_Atom_Stereo_Count	0
60503	Tautomer_Count	2
20111	Undefined_Atom_Stereo_Count	0
17882722	Rotatable_Bond_Count	0
81588	Rotatable_Bond_Count	2
221122	Undefined_Atom_Stereo_Count	0
46906319	Exact_Mass	325.14780704
71449989	Structure_Complexity	505
25137901	Exact_Mass	908.36010511
2529	Mono_Isotopic_Weight	476.1682861
31243	Molecular_Weight	158.65
68781	Exact_Mass	416.18350323
137550	Undefined_Atom_Stereo_Count	0
40473189	Defined_Bond_Stereo_Count	1
611370	Hydrogen_Bond_Acceptor_Count	5
69089	Covalent_Unit_Count	1
12199010	Defined_Bond_Stereo_Count	0
88686	Molecular_Weight	85.003
103439991	XLogP3-AA	0.2
53950495	Molecular_Weight	116.16
547790	Rotatable_Bond_Count	2
3529	Covalent_Unit_Count	1
346327	Rotatable_Bond_Count	3
5280723	XLogP3	3.2
62016	Total_Formal_Charge	0
127894	Non-hydrogen_Atom_Count	20
71270	Total_Formal_Charge	0
3796640	XLogP3-AA	2.9
10737	TPSA	20.3
5288018	Undefined_Bond_Stereo_Count	0
9661	Molecular_Weight	181.23
16135	Undefined_Atom_Stereo_Count	0
139040442	Defined_Bond_Stereo_Count	0
64994767	Covalent_Unit_Count	1
12978170	Hydrogen_Bond_Acceptor_Count	0
16212687	Defined_Atom_Stereo_Count	2
11858154	XLogP3-AA	3.4
4796	Covalent_Unit_Count	1
11423561	Rotatable_Bond_Count	0
146675212	Mono_Isotopic_Weight	1221.14784090
9854489	Defined_Atom_Stereo_Count	9
80426	Undefined_Atom_Stereo_Count	0
6204	Hydrogen_Bond_Donor_Count	0
56069	Non-hydrogen_Atom_Count	29
67462786	Undefined_Atom_Stereo_Count	0
276224	Structure_Complexity	77.7
2734162	Exact_Mass	139.123523487
2724247	Undefined_Bond_Stereo_Count	0
31357	Mono_Isotopic_Weight	266.16469634
695341	Structure_Complexity	218
5287991	Rotatable_Bond_Count	9
18314506	Molecular_Weight	97.07
5352728	Structure_Complexity	90.9
85775728	Non-hydrogen_Atom_Count	8
53856650	Total_Formal_Charge	0
46900403	Structure_Complexity	468
237766	Total_Formal_Charge	0
673	Mono_Isotopic_Weight	103.063328530
53678373	Non-hydrogen_Atom_Count	8
87663787	XLogP3-AA	0.6
34081	Mono_Isotopic_Weight	640.21692861
9543216	Rotatable_Bond_Count	0
27145	Hydrogen_Bond_Donor_Count	1
78860	Total_Formal_Charge	0
123716071	Hydrogen_Bond_Acceptor_Count	1
72276	Covalent_Unit_Count	1
12500500	Undefined_Atom_Stereo_Count	1
8020	XLogP3	0.2
23667299	Hydrogen_Bond_Donor_Count	3
21466942	Total_Formal_Charge	0
131878633	Defined_Bond_Stereo_Count	0
139291703	Undefined_Atom_Stereo_Count	0
65944	Mono_Isotopic_Weight	244.05177804
101305714	Exact_Mass	885.48745594
53480934	Hydrogen_Bond_Acceptor_Count	8
122844	Hydrogen_Bond_Donor_Count	1
10948203	Covalent_Unit_Count	1
13635	Rotatable_Bond_Count	1
12993402	Exact_Mass	252.208930132
10853	Structure_Complexity	130
50942697	Structure_Complexity	710
71457010	Rotatable_Bond_Count	5
55286004	Undefined_Atom_Stereo_Count	1
1550888	Structure_Complexity	331
12110098	Rotatable_Bond_Count	2
10044423	Mono_Isotopic_Weight	366.05554326
24208748	Undefined_Bond_Stereo_Count	0
36511	Molecular_Weight	1347.6
72462	Hydrogen_Bond_Donor_Count	2
58247682	Defined_Atom_Stereo_Count	0
6869	Non-hydrogen_Atom_Count	24
11443	Structure_Complexity	265
132399083	Defined_Bond_Stereo_Count	0
54130	Covalent_Unit_Count	1
86083878	Undefined_Bond_Stereo_Count	0
16407	Covalent_Unit_Count	1
146158553	Non-hydrogen_Atom_Count	42
7720	Structure_Complexity	52.5
72728690	Total_Formal_Charge	0
155893624	Isotope_Atom_Count	0
9539	Hydrogen_Bond_Donor_Count	6
454155	XLogP3-AA	6.1
8402	Exact_Mass	232.06703418
67901	Mono_Isotopic_Weight	116.00851382
6604909	Defined_Bond_Stereo_Count	0
10770	Molecular_Weight	261.36
132327702	Undefined_Atom_Stereo_Count	1
656668	Structure_Complexity	933
13521	Rotatable_Bond_Count	9
182139	Tautomer_Count	1
72739321	Molecular_Weight	96.13
12232989	Exact_Mass	97.089149355
60209141	Hydrogen_Bond_Donor_Count	4
87098264	Exact_Mass	189.94322646
11959	Mono_Isotopic_Weight	149.084063974
45484139	Isotope_Atom_Count	0
60196267	Undefined_Bond_Stereo_Count	0
22977906	Undefined_Bond_Stereo_Count	0
78949	Isotope_Atom_Count	0
404566	Molecular_Weight	315.5
561488	Total_Formal_Charge	0
65759	Structure_Complexity	582
65836	Isotope_Atom_Count	0
5464084	Tautomer_Count	1
11194316	Defined_Bond_Stereo_Count	0
76963096	Mono_Isotopic_Weight	488.10733165
12452042	Hydrogen_Bond_Acceptor_Count	1
7026	Undefined_Atom_Stereo_Count	0
162990680	Isotope_Atom_Count	0
65422334	Exact_Mass	114.104465066
2794811	Exact_Mass	102.079312947
5325710	Undefined_Bond_Stereo_Count	0
14831302	Rotatable_Bond_Count	2
909860	Covalent_Unit_Count	1
103023	Undefined_Atom_Stereo_Count	3
38200	Non-hydrogen_Atom_Count	21
3941	Structure_Complexity	357
13432	Exact_Mass	187.063328530
131704205	Structure_Complexity	302
3052776	Hydrogen_Bond_Donor_Count	1
122553	XLogP3-AA	2.7
54870	TPSA	28.5
2192	Molecular_Weight	284.4
70680969	Rotatable_Bond_Count	7
69462056	Rotatable_Bond_Count	0
23128	TPSA	0
99940264	TPSA	190
85774373	Exact_Mass	112.088815002
5392	Total_Formal_Charge	0
56606917	XLogP3-AA	1.9
3392178	Hydrogen_Bond_Acceptor_Count	1
11194316	Exact_Mass	116.047344113
25058167	Hydrogen_Bond_Donor_Count	1
3154	XLogP3-AA	0.4
8557	Defined_Atom_Stereo_Count	0
112412	Defined_Atom_Stereo_Count	0
79606	Covalent_Unit_Count	1
117217480	Exact_Mass	114.042927438
807	TPSA	0
6436015	Exact_Mass	390.1234015
8217	Defined_Bond_Stereo_Count	0
93500	Hydrogen_Bond_Donor_Count	0
6432437	Rotatable_Bond_Count	1
10290764	Hydrogen_Bond_Donor_Count	2
5994	Exact_Mass	314.224580195
12336279	TPSA	15.6
2296	Tautomer_Count	5
135802074	Mono_Isotopic_Weight	601.1656603
4162420	Covalent_Unit_Count	1
3531736	Hydrogen_Bond_Acceptor_Count	4
70281073	Exact_Mass	387.17289623
6852147	Hydrogen_Bond_Acceptor_Count	7
131737226	Defined_Atom_Stereo_Count	0
79718	Non-hydrogen_Atom_Count	22
2779024	Hydrogen_Bond_Acceptor_Count	5
10113978	Hydrogen_Bond_Donor_Count	2
46173017	Defined_Atom_Stereo_Count	0
7507	Exact_Mass	114.104465066
52987927	Covalent_Unit_Count	1
5282948	Isotope_Atom_Count	0
118969738	Mono_Isotopic_Weight	113.03892530
46907953	Non-hydrogen_Atom_Count	10
133645886	Molecular_Weight	823.9
14120450	XLogP3-AA	2.5
92444	Defined_Atom_Stereo_Count	2
11477084	Defined_Atom_Stereo_Count	0
5281078	Mono_Isotopic_Weight	433.21005233
21061676	Defined_Bond_Stereo_Count	0
5624	Defined_Atom_Stereo_Count	0
68613	Covalent_Unit_Count	1
18349198	Covalent_Unit_Count	1
69091	TPSA	46.5
77751	XLogP3-AA	2.9
528612	Covalent_Unit_Count	1
444461	Total_Formal_Charge	0
20631043	Defined_Bond_Stereo_Count	0
135413508	Non-hydrogen_Atom_Count	81
519726	Hydrogen_Bond_Donor_Count	1
162817	Molecular_Weight	280.4
821	XLogP3-AA	21.6
91537	Covalent_Unit_Count	1
44404643	XLogP3-AA	4.2
271218	XLogP3	2.9
2335	Exact_Mass	412.321554582
5372813	Rotatable_Bond_Count	2
688356	Total_Formal_Charge	0
135391180	Structure_Complexity	1700
11625778	Undefined_Atom_Stereo_Count	0
695314	Defined_Atom_Stereo_Count	1
20188118	Hydrogen_Bond_Donor_Count	0
161764	Structure_Complexity	585
66634681	Defined_Atom_Stereo_Count	0
429095	Undefined_Atom_Stereo_Count	0
10428048	XLogP3-AA	5.5
193972	Tautomer_Count	2
5329106	Defined_Atom_Stereo_Count	0
5462501	TPSA	107
27447	Isotope_Atom_Count	0
83619503	Undefined_Bond_Stereo_Count	0
6431038	Defined_Atom_Stereo_Count	0
11565240	TPSA	74.5
71649	Defined_Bond_Stereo_Count	0
114751	Tautomer_Count	3
167232	Defined_Atom_Stereo_Count	0
151092	Rotatable_Bond_Count	9
549699	Hydrogen_Bond_Acceptor_Count	1
83969	Defined_Atom_Stereo_Count	0
75516	Total_Formal_Charge	0
2130	Structure_Complexity	144
100957861	Structure_Complexity	102
14868	Isotope_Atom_Count	0
5280608	XLogP3-AA	0.6
10964334	Structure_Complexity	2320
12712037	Defined_Bond_Stereo_Count	0
4712993	Defined_Atom_Stereo_Count	0
76138368	Undefined_Bond_Stereo_Count	0
23279533	Hydrogen_Bond_Acceptor_Count	3
46204764	TPSA	126
3025961	Defined_Bond_Stereo_Count	0
17996772	Isotope_Atom_Count	0
3466040	Defined_Bond_Stereo_Count	0
517441	Non-hydrogen_Atom_Count	11
55305	Tautomer_Count	1
10986159	Exact_Mass	97.052763847
24916760	Covalent_Unit_Count	1
7266	Undefined_Atom_Stereo_Count	0
92275	Covalent_Unit_Count	1
228397	Defined_Bond_Stereo_Count	0
1553	Undefined_Bond_Stereo_Count	0
695	Rotatable_Bond_Count	4
10953443	Defined_Bond_Stereo_Count	0
4770	Undefined_Bond_Stereo_Count	0
79241	Tautomer_Count	1
5288672	Exact_Mass	359.1036691
3341	TPSA	72.7
11499271	Rotatable_Bond_Count	2
11136	Exact_Mass	393.935436
61347	Rotatable_Bond_Count	3
3724	Undefined_Atom_Stereo_Count	4
11083045	Exact_Mass	701.55083
16036788	TPSA	107
7938	Non-hydrogen_Atom_Count	8
69388	Exact_Mass	98.036779430
564664	Undefined_Bond_Stereo_Count	0
6973640	Undefined_Atom_Stereo_Count	0
5475462	Exact_Mass	153.151749610
71517528	Covalent_Unit_Count	1
88114173	Total_Formal_Charge	0
22641151	Covalent_Unit_Count	1
10949861	Non-hydrogen_Atom_Count	1
213049	Structure_Complexity	745
19830152	XLogP3-AA	0
65575	TPSA	20.2
53906657	Undefined_Bond_Stereo_Count	1
57392505	Isotope_Atom_Count	0
103563866	Mono_Isotopic_Weight	111.068413911
53960787	Undefined_Atom_Stereo_Count	1
133562676	Undefined_Bond_Stereo_Count	0
12180	Non-hydrogen_Atom_Count	7
92158	TPSA	17.1
44338970	Mono_Isotopic_Weight	485.11128449
25256833	Undefined_Atom_Stereo_Count	0
38910	TPSA	0
6324616	Structure_Complexity	1330
10034577	Isotope_Atom_Count	0
2733293	Covalent_Unit_Count	1
13034799	Exact_Mass	98.048012819
57401296	Structure_Complexity	614
64459	Non-hydrogen_Atom_Count	20
5311096	Tautomer_Count	2
8919	Tautomer_Count	1
18470	Structure_Complexity	274
10275777	Rotatable_Bond_Count	7
61278	Exact_Mass	86.036779430
123964	Covalent_Unit_Count	1
15983966	Covalent_Unit_Count	1
144550270	Covalent_Unit_Count	1
49798415	Isotope_Atom_Count	0
3033332	Undefined_Atom_Stereo_Count	0
6986	Covalent_Unit_Count	1
6473883	Structure_Complexity	1300
24905142	Tautomer_Count	24
143588	Rotatable_Bond_Count	1
11319223	Undefined_Atom_Stereo_Count	0
138621	Total_Formal_Charge	0
8485	XLogP3	7
23533634	Total_Formal_Charge	0
135398729	Defined_Atom_Stereo_Count	0
36829	Exact_Mass	169.956028
403647	Hydrogen_Bond_Donor_Count	1
129833854	Molecular_Weight	353.08
46906319	Molecular_Weight	325.4
5460044	Total_Formal_Charge	0
17909	Structure_Complexity	219
28060	Rotatable_Bond_Count	8
6918649	Hydrogen_Bond_Donor_Count	2
48548	XLogP3	2.3
47170034	Total_Formal_Charge	0
580566	Isotope_Atom_Count	0
54698174	Covalent_Unit_Count	3
1643	Undefined_Bond_Stereo_Count	0
2444	Structure_Complexity	258
101718251	Total_Formal_Charge	0
13761352	Hydrogen_Bond_Donor_Count	0
53348188	Rotatable_Bond_Count	15
12295224	Non-hydrogen_Atom_Count	8
123969717	XLogP3-AA	0.6
14982	Covalent_Unit_Count	1
13898	XLogP3-AA	2.7
4590704	Defined_Bond_Stereo_Count	0
102118	Defined_Atom_Stereo_Count	0
18755331	Total_Formal_Charge	0
1096	Mono_Isotopic_Weight	921.249292
70068	Undefined_Atom_Stereo_Count	0
247	Tautomer_Count	1
816	Rotatable_Bond_Count	6
87114	Non-hydrogen_Atom_Count	17
11786594	TPSA	132
9692	Defined_Bond_Stereo_Count	0
15432	TPSA	159
9576891	Defined_Bond_Stereo_Count	1
12985	Total_Formal_Charge	0
6327799	Non-hydrogen_Atom_Count	40
24848413	Exact_Mass	1072.15680793
68280040	Defined_Atom_Stereo_Count	0
11040399	Structure_Complexity	2060
10486806	Undefined_Atom_Stereo_Count	1
7469	Exact_Mass	136.052429494
20093425	Defined_Bond_Stereo_Count	0
135920970	Defined_Bond_Stereo_Count	0
114905	Exact_Mass	509.27371521
240373	Covalent_Unit_Count	1
26757	Hydrogen_Bond_Acceptor_Count	1
66603	Defined_Atom_Stereo_Count	0
58373	Mono_Isotopic_Weight	265.110278721
107950	Hydrogen_Bond_Donor_Count	0
8011	Undefined_Atom_Stereo_Count	0
105101	Hydrogen_Bond_Donor_Count	1
49050	Hydrogen_Bond_Acceptor_Count	3
123884	Undefined_Atom_Stereo_Count	0
135596593	Hydrogen_Bond_Acceptor_Count	14
70119	Structure_Complexity	77
5459792	Molecular_Weight	132.07
101663894	Structure_Complexity	811
12459575	Exact_Mass	116.083729621
89793222	Hydrogen_Bond_Acceptor_Count	2
49217	Structure_Complexity	337
472	Hydrogen_Bond_Donor_Count	2
4320774	Undefined_Bond_Stereo_Count	0
6377	Hydrogen_Bond_Donor_Count	1
71094775	Mono_Isotopic_Weight	342.11621151
57483528	Undefined_Atom_Stereo_Count	3
12636118	TPSA	32.3
21615295	Non-hydrogen_Atom_Count	7
21895922	Rotatable_Bond_Count	0
6443717	Molecular_Weight	98.10
115017	Mono_Isotopic_Weight	152.062600255
91465979	Isotope_Atom_Count	0
155977984	Hydrogen_Bond_Acceptor_Count	1
182176	TPSA	72.7
11789136	Isotope_Atom_Count	0
1758	Structure_Complexity	356
14454	Covalent_Unit_Count	1
10892	Undefined_Atom_Stereo_Count	0
8799	Total_Formal_Charge	0
4825	Hydrogen_Bond_Acceptor_Count	5
544629	Hydrogen_Bond_Acceptor_Count	1
123966800	Rotatable_Bond_Count	0
11870427	Undefined_Bond_Stereo_Count	0
443074	Defined_Bond_Stereo_Count	0
443404	Molecular_Weight	231.33
6432517	Isotope_Atom_Count	0
9978	TPSA	37.3
76335	Exact_Mass	100.088815002
19966535	Isotope_Atom_Count	0
24194381	Defined_Bond_Stereo_Count	0
5057599	Exact_Mass	629.06750493
11589453	Rotatable_Bond_Count	5
12476687	Hydrogen_Bond_Donor_Count	0
87689	XLogP3-AA	6.3
123611	Undefined_Atom_Stereo_Count	1
102102855	Mono_Isotopic_Weight	152.05589216
709	XLogP3	1.5
12286866	XLogP3-AA	0.8
22986609	Mono_Isotopic_Weight	113.047678466
13170124	Isotope_Atom_Count	0
22640249	Defined_Bond_Stereo_Count	0
62669681	XLogP3-AA	1.6
74764517	TPSA	60.7
21470197	Isotope_Atom_Count	0
8784	Isotope_Atom_Count	0
54180192	Exact_Mass	85.089149355
102452879	Covalent_Unit_Count	1
11589453	Hydrogen_Bond_Acceptor_Count	5
124541742	Molecular_Weight	378.5
161830	Non-hydrogen_Atom_Count	10
55300496	Covalent_Unit_Count	1
67589	Defined_Atom_Stereo_Count	0
39650	Undefined_Atom_Stereo_Count	0
58087	Covalent_Unit_Count	1
145521	Exact_Mass	80.062600255
72076	Isotope_Atom_Count	0
1683	Tautomer_Count	1
9883029	Covalent_Unit_Count	1
45116665	Exact_Mass	110.084398327
166560	Rotatable_Bond_Count	0
129073603	Defined_Bond_Stereo_Count	0
82418987	Isotope_Atom_Count	0
521796	Hydrogen_Bond_Donor_Count	0
216293	Exact_Mass	811.2013520
76658	Non-hydrogen_Atom_Count	13
69994	Total_Formal_Charge	0
4764	Molecular_Weight	318.3
2413	Defined_Atom_Stereo_Count	0
6971070	XLogP3	1.3
6914	TPSA	20.2
131750190	Structure_Complexity	1280
57401682	Isotope_Atom_Count	0
11680542	Covalent_Unit_Count	2
10686	Hydrogen_Bond_Acceptor_Count	0
133066	Hydrogen_Bond_Acceptor_Count	2
688363	Mono_Isotopic_Weight	238.08412354
54960	Total_Formal_Charge	0
53983207	Isotope_Atom_Count	0
8742	Non-hydrogen_Atom_Count	12
5497105	Mono_Isotopic_Weight	447.17015238
825353	Rotatable_Bond_Count	4
70412	Structure_Complexity	377
132252	TPSA	67.8
403646	Rotatable_Bond_Count	2
662	Defined_Bond_Stereo_Count	0
129853863	Exact_Mass	266.260965704
24848177	Defined_Bond_Stereo_Count	1
18626412	Molecular_Weight	102.13
46204458	Molecular_Weight	554.7
6620134	Covalent_Unit_Count	1
6673	TPSA	25.1
70414	Total_Formal_Charge	0
10129907	Defined_Bond_Stereo_Count	0
45116687	Defined_Bond_Stereo_Count	0
101001097	Hydrogen_Bond_Acceptor_Count	4
26089	Mono_Isotopic_Weight	179.849305
471360	Non-hydrogen_Atom_Count	13
11789157	Covalent_Unit_Count	1
146158693	Isotope_Atom_Count	3
4332	Covalent_Unit_Count	1
7944	TPSA	9.2
56746	Exact_Mass	391.03202
101626738	TPSA	146
13046623	Undefined_Atom_Stereo_Count	0
19986922	Hydrogen_Bond_Donor_Count	2
84647614	Hydrogen_Bond_Acceptor_Count	3
80520	Defined_Atom_Stereo_Count	0
138148	Defined_Atom_Stereo_Count	0
448505	Isotope_Atom_Count	0
53682689	Undefined_Atom_Stereo_Count	2
66824709	Covalent_Unit_Count	1
3686723	Rotatable_Bond_Count	0
28650	Total_Formal_Charge	0
162883450	Mono_Isotopic_Weight	527.23263824
71460926	Defined_Bond_Stereo_Count	0
6992028	Hydrogen_Bond_Donor_Count	1
137148307	Exact_Mass	231.01574069
136750	Rotatable_Bond_Count	1
6426742	Hydrogen_Bond_Acceptor_Count	7
19028568	Isotope_Atom_Count	0
2762816	Hydrogen_Bond_Donor_Count	1
20448997	Undefined_Atom_Stereo_Count	2
439165	TPSA	157
76964582	Undefined_Bond_Stereo_Count	0
78148	Mono_Isotopic_Weight	81.057849228
132939820	Mono_Isotopic_Weight	181.06674293
135415868	Non-hydrogen_Atom_Count	33
16218742	Rotatable_Bond_Count	37
6011	Undefined_Atom_Stereo_Count	0
83146	Hydrogen_Bond_Acceptor_Count	2
56430	Defined_Atom_Stereo_Count	0
131270	Hydrogen_Bond_Donor_Count	0
13346655	Hydrogen_Bond_Acceptor_Count	2
53324736	Undefined_Atom_Stereo_Count	1
5273621	Structure_Complexity	371
23629960	Mono_Isotopic_Weight	368.15968852
26108	Non-hydrogen_Atom_Count	17
66908001	Covalent_Unit_Count	1
9898440	XLogP3-AA	7.5
549318	Structure_Complexity	105
20825	Covalent_Unit_Count	1
132277694	Structure_Complexity	93.9
159812	Hydrogen_Bond_Donor_Count	4
91884833	Defined_Atom_Stereo_Count	6
91434	TPSA	123
24956	Rotatable_Bond_Count	0
158800	Undefined_Atom_Stereo_Count	0
6850791	Molecular_Weight	1269.4
44280082	Undefined_Bond_Stereo_Count	0
6992027	Hydrogen_Bond_Acceptor_Count	7
9874591	Hydrogen_Bond_Acceptor_Count	12
7015680	Undefined_Atom_Stereo_Count	0
19262	Covalent_Unit_Count	1
12658877	Structure_Complexity	39.1
136393889	Mono_Isotopic_Weight	110.02286070
12285863	Rotatable_Bond_Count	1
12251749	Defined_Atom_Stereo_Count	0
439518	Tautomer_Count	8
91482	Isotope_Atom_Count	0
9898619	XLogP3-AA	0.6
70445	Structure_Complexity	76.5
69834	Undefined_Atom_Stereo_Count	0
20298	Molecular_Weight	354.0
68321915	Exact_Mass	336.15862589
202877	Isotope_Atom_Count	0
5484450	Defined_Bond_Stereo_Count	0
98026	Undefined_Atom_Stereo_Count	2
10419137	Molecular_Weight	98.15
123462301	Structure_Complexity	53.5
5593	Isotope_Atom_Count	0
70443535	Exact_Mass	180.06338810
9543050	TPSA	426
135398701	Defined_Bond_Stereo_Count	0
73030	Isotope_Atom_Count	0
6999941	TPSA	17.1
129	Defined_Bond_Stereo_Count	0
126969014	Non-hydrogen_Atom_Count	52
66091	Tautomer_Count	2
6125183	TPSA	107
101838	Undefined_Atom_Stereo_Count	0
67324	Rotatable_Bond_Count	2
4068	Rotatable_Bond_Count	2
13184281	Non-hydrogen_Atom_Count	8
11578	Tautomer_Count	6
121881	Undefined_Bond_Stereo_Count	0
136203056	Isotope_Atom_Count	0
11009	Hydrogen_Bond_Acceptor_Count	2
11583	TPSA	17.1
55285315	Molecular_Weight	125.13
5311057	Undefined_Atom_Stereo_Count	0
123769339	Molecular_Weight	100.16
165363121	Hydrogen_Bond_Donor_Count	0
28280	Undefined_Bond_Stereo_Count	0
72523	TPSA	12
141850000	Hydrogen_Bond_Acceptor_Count	1
5284518	Exact_Mass	348.23727013
124069	Tautomer_Count	1
119033	Rotatable_Bond_Count	4
31393	Hydrogen_Bond_Acceptor_Count	1
4426	Rotatable_Bond_Count	4
68137	Exact_Mass	180.04225873
57009	Total_Formal_Charge	0
2736256	Isotope_Atom_Count	0
40469421	Isotope_Atom_Count	0
118371793	Structure_Complexity	171
260127	Isotope_Atom_Count	0
53749742	Defined_Atom_Stereo_Count	0
5281764	Defined_Atom_Stereo_Count	2
58801077	XLogP3-AA	0.5
9818021	Total_Formal_Charge	0
4485	Covalent_Unit_Count	1
54303	Total_Formal_Charge	0
42827	Rotatable_Bond_Count	2
451156	XLogP3	3.9
57372628	Total_Formal_Charge	0
25023855	Covalent_Unit_Count	1
547686	Molecular_Weight	117.15
9810773	Undefined_Bond_Stereo_Count	0
107250	Hydrogen_Bond_Acceptor_Count	3
66737	Rotatable_Bond_Count	1
7499	Tautomer_Count	1
12213229	Undefined_Atom_Stereo_Count	0
361739	Hydrogen_Bond_Donor_Count	0
141093	Undefined_Atom_Stereo_Count	0
441979	Mono_Isotopic_Weight	348.14739250
17992338	Mono_Isotopic_Weight	100.063662883
24598	Covalent_Unit_Count	4
5497163	Isotope_Atom_Count	0
21817602	Isotope_Atom_Count	0
9050	Defined_Atom_Stereo_Count	1
131704481	Structure_Complexity	1290
11976122	Rotatable_Bond_Count	14
58093	Molecular_Weight	217.10
79414	Defined_Atom_Stereo_Count	0
3959	Mono_Isotopic_Weight	457.1660879
919792	Defined_Bond_Stereo_Count	0
92444	Molecular_Weight	338.9
9274	Undefined_Atom_Stereo_Count	0
11551	Defined_Atom_Stereo_Count	0
4421	Mono_Isotopic_Weight	232.08479225
70014	Defined_Bond_Stereo_Count	0
8673	TPSA	151
20656311	Hydrogen_Bond_Donor_Count	0
145925690	Total_Formal_Charge	0
1711921	XLogP3-AA	0.4
10163178	Structure_Complexity	702
23932	Undefined_Bond_Stereo_Count	0
88494	Non-hydrogen_Atom_Count	5
9020	Non-hydrogen_Atom_Count	10
129634850	Exact_Mass	98.048012819
6867	Total_Formal_Charge	0
62660	TPSA	26.3
2465	Non-hydrogen_Atom_Count	23
83815	Rotatable_Bond_Count	2
44946	Defined_Bond_Stereo_Count	0
7098662	Defined_Atom_Stereo_Count	10
65987055	Non-hydrogen_Atom_Count	7
2774635	TPSA	12.9
15825450	Molecular_Weight	98.14
280245	Mono_Isotopic_Weight	247.12084340
115011049	Undefined_Bond_Stereo_Count	0
11824	TPSA	150
444679	Total_Formal_Charge	0
12310714	Hydrogen_Bond_Donor_Count	3
68437	TPSA	44.8
137553932	Undefined_Atom_Stereo_Count	0
854150	Undefined_Atom_Stereo_Count	0
6992563	Tautomer_Count	4
9926832	Defined_Atom_Stereo_Count	3
170759	Defined_Bond_Stereo_Count	0
159738	Rotatable_Bond_Count	2
56962215	Rotatable_Bond_Count	0
542882	Structure_Complexity	194
83860	Non-hydrogen_Atom_Count	42
725	Structure_Complexity	110
23724963	Total_Formal_Charge	0
13519	Undefined_Bond_Stereo_Count	0
46942	Total_Formal_Charge	2
58496428	Structure_Complexity	732
70686373	Structure_Complexity	574
7829	Molecular_Weight	230.30
6918496	TPSA	38.3
160355	Non-hydrogen_Atom_Count	26
21093784	Total_Formal_Charge	0
126968495	Structure_Complexity	1370
2115	Molecular_Weight	224.15
6453851	Defined_Atom_Stereo_Count	0
13878035	Undefined_Bond_Stereo_Count	0
7021	Exact_Mass	238.08412354
11009533	XLogP3-AA	2
3000667	Molecular_Weight	319.4
11455973	Hydrogen_Bond_Acceptor_Count	13
8944	Structure_Complexity	431
26710	Defined_Bond_Stereo_Count	0
6436083	Mono_Isotopic_Weight	538.18450
24199313	Undefined_Bond_Stereo_Count	0
54569511	Undefined_Atom_Stereo_Count	1
62580	Undefined_Bond_Stereo_Count	0
9797857	XLogP3-AA	2.6
91881846	Rotatable_Bond_Count	7
460129	Undefined_Atom_Stereo_Count	0
125127453	Undefined_Atom_Stereo_Count	0
146675212	Non-hydrogen_Atom_Count	82
8058	Undefined_Bond_Stereo_Count	0
17396	Undefined_Bond_Stereo_Count	0
829795	TPSA	101
20470942	XLogP3-AA	0.4
46218908	Covalent_Unit_Count	1
11114	Isotope_Atom_Count	0
49937	Defined_Bond_Stereo_Count	0
7403	Structure_Complexity	183
5954	Hydrogen_Bond_Acceptor_Count	0
42207	Molecular_Weight	543.1
73648	Molecular_Weight	388.4
3001662	Defined_Bond_Stereo_Count	0
16212939	Rotatable_Bond_Count	10
7582	Undefined_Bond_Stereo_Count	0
162413	Undefined_Bond_Stereo_Count	0
424747	Hydrogen_Bond_Acceptor_Count	3
31390	Rotatable_Bond_Count	3
6871	Defined_Bond_Stereo_Count	0
135566069	Molecular_Weight	1569.7
593	Covalent_Unit_Count	1
71354	Tautomer_Count	2
9838022	Exact_Mass	221.177964357
70689065	Structure_Complexity	999
17275	Hydrogen_Bond_Acceptor_Count	2
23653	Rotatable_Bond_Count	11
9473	Hydrogen_Bond_Donor_Count	0
5083	Covalent_Unit_Count	1
123698	TPSA	20.3
74828	Molecular_Weight	136.62
14782	TPSA	17.1
21823262	Non-hydrogen_Atom_Count	6
20093425	Total_Formal_Charge	0
23079599	Total_Formal_Charge	0
71335300	Undefined_Bond_Stereo_Count	0
135925740	Defined_Bond_Stereo_Count	3
61739	Molecular_Weight	51.45
49865920	Defined_Bond_Stereo_Count	0
60712	Hydrogen_Bond_Acceptor_Count	4
20745	Hydrogen_Bond_Acceptor_Count	1
5324720	Undefined_Atom_Stereo_Count	0
16627	Undefined_Atom_Stereo_Count	0
79	Defined_Atom_Stereo_Count	0
154515422	Structure_Complexity	82.4
565600	Hydrogen_Bond_Acceptor_Count	2
92763	Covalent_Unit_Count	1
13695806	Total_Formal_Charge	0
76507	Hydrogen_Bond_Acceptor_Count	3
22160	Rotatable_Bond_Count	6
3086173	Mono_Isotopic_Weight	436.22631153
23003869	Hydrogen_Bond_Donor_Count	0
53778	Defined_Atom_Stereo_Count	0
66827	Hydrogen_Bond_Acceptor_Count	2
22967031	Isotope_Atom_Count	0
700611	Structure_Complexity	326
21914607	Undefined_Atom_Stereo_Count	2
15007	Molecular_Weight	250.33
303892	Structure_Complexity	306
53917786	Molecular_Weight	113.08
613	Molecular_Weight	867.6
122706485	Undefined_Bond_Stereo_Count	0
117791079	Defined_Atom_Stereo_Count	0
11704019	Structure_Complexity	486
23279316	Undefined_Bond_Stereo_Count	0
234808	Rotatable_Bond_Count	0
73877	TPSA	20.2
9837674	Undefined_Atom_Stereo_Count	0
18316	Molecular_Weight	254.41
544861	XLogP3-AA	0.9
62783	Undefined_Bond_Stereo_Count	0
16387	Total_Formal_Charge	0
135398737	Non-hydrogen_Atom_Count	23
11241881	Undefined_Atom_Stereo_Count	0
139105	Tautomer_Count	1
11788287	Undefined_Bond_Stereo_Count	0
6112	Undefined_Atom_Stereo_Count	0
53628842	Exact_Mass	169.0658271
17778639	Molecular_Weight	84.12
87417871	Hydrogen_Bond_Acceptor_Count	1
135444779	Non-hydrogen_Atom_Count	32
23219736	Rotatable_Bond_Count	2
92279	Total_Formal_Charge	0
61124202	Mono_Isotopic_Weight	113.058911855
72182	Defined_Bond_Stereo_Count	0
19354670	Mono_Isotopic_Weight	86.084398327
551592	Hydrogen_Bond_Donor_Count	0
5326637	Molecular_Weight	273.20
6435836	Defined_Atom_Stereo_Count	0
4808	Defined_Atom_Stereo_Count	0
9715	Defined_Bond_Stereo_Count	0
63610	XLogP3-AA	4.8
60618	Mono_Isotopic_Weight	349.16779360
276224	Defined_Bond_Stereo_Count	0
85653	TPSA	52.6
123337109	Undefined_Atom_Stereo_Count	2
713762	XLogP3-AA	5.2
520396	Undefined_Bond_Stereo_Count	1
135508231	Isotope_Atom_Count	0
547738	Structure_Complexity	76.2
176872	Mono_Isotopic_Weight	957.58135632
140650857	Hydrogen_Bond_Donor_Count	1
449224	Mono_Isotopic_Weight	991.42555890
99342	TPSA	24.1
140934984	Rotatable_Bond_Count	0
169109	Defined_Atom_Stereo_Count	0
6632	Defined_Atom_Stereo_Count	0
8491	Defined_Bond_Stereo_Count	0
68015385	Rotatable_Bond_Count	4
6158	Undefined_Bond_Stereo_Count	0
7351	Total_Formal_Charge	0
43436578	Total_Formal_Charge	0
80642	Rotatable_Bond_Count	2
6165177	TPSA	160
62098	Molecular_Weight	192.21
920954	Isotope_Atom_Count	0
23714994	Defined_Atom_Stereo_Count	0
183797	Covalent_Unit_Count	1
74040195	Rotatable_Bond_Count	2
147614	TPSA	32.7
5280970	Tautomer_Count	1
21679645	Defined_Bond_Stereo_Count	0
11339	Undefined_Bond_Stereo_Count	0
91236903	Hydrogen_Bond_Donor_Count	0
254454	Rotatable_Bond_Count	9
5249	Covalent_Unit_Count	1
641496	Rotatable_Bond_Count	0
56991328	Exact_Mass	114.068079557
366	Hydrogen_Bond_Donor_Count	0
10582477	Defined_Atom_Stereo_Count	0
7752	Defined_Bond_Stereo_Count	0
4351	Molecular_Weight	188.27
22475	Mono_Isotopic_Weight	360.1582628
69814	Total_Formal_Charge	0
6028739	XLogP3-AA	1.2
57390797	Mono_Isotopic_Weight	428.31512653
16216349	Defined_Bond_Stereo_Count	0
11040651	Mono_Isotopic_Weight	110.073164938
42552697	Rotatable_Bond_Count	4
843960	Isotope_Atom_Count	0
126704391	Hydrogen_Bond_Donor_Count	5
8508	Rotatable_Bond_Count	9
10355488	XLogP3-AA	0.7
4369034	TPSA	221
4136521	Structure_Complexity	986
75834	Covalent_Unit_Count	1
391139	Undefined_Bond_Stereo_Count	0
54686261	Undefined_Atom_Stereo_Count	0
135421124	Mono_Isotopic_Weight	339.98474
1083	Tautomer_Count	4
798	TPSA	15.8
20137	Hydrogen_Bond_Acceptor_Count	2
19360868	Molecular_Weight	120.15
80487728	Molecular_Weight	114.11
693165	Hydrogen_Bond_Acceptor_Count	3
159982	Molecular_Weight	394.4
20503852	Isotope_Atom_Count	0
519200	Hydrogen_Bond_Donor_Count	0
452498	Total_Formal_Charge	0
335	Defined_Bond_Stereo_Count	0
123642	Undefined_Atom_Stereo_Count	2
22049997	Exact_Mass	476.05471
87357201	Covalent_Unit_Count	2
52361	Defined_Bond_Stereo_Count	0
71464039	Mono_Isotopic_Weight	98.048012819
10972	TPSA	66.4
40240	Undefined_Atom_Stereo_Count	0
3681	Hydrogen_Bond_Donor_Count	2
74031	Hydrogen_Bond_Acceptor_Count	2
13019072	Molecular_Weight	416.6
12309339	Hydrogen_Bond_Donor_Count	8
107947	Hydrogen_Bond_Donor_Count	4
54024247	Total_Formal_Charge	0
51030053	Mono_Isotopic_Weight	396.19098865
2599	Exact_Mass	187.074561919
68356363	Total_Formal_Charge	0
68099571	Covalent_Unit_Count	1
2542	XLogP3-AA	6.3
59119	Non-hydrogen_Atom_Count	22
29131	Undefined_Bond_Stereo_Count	0
25522	Non-hydrogen_Atom_Count	24
7579	Structure_Complexity	162
248580	Tautomer_Count	3
66620431	Non-hydrogen_Atom_Count	19
53846028	Rotatable_Bond_Count	0
9576737	Total_Formal_Charge	0
64334	Total_Formal_Charge	0
16722120	TPSA	57.2
46557	Exact_Mass	364.06478
35492	XLogP3-AA	4.2
11830	Structure_Complexity	202
123831	Defined_Bond_Stereo_Count	0
9938420	Mono_Isotopic_Weight	590.23497872
9261	Hydrogen_Bond_Acceptor_Count	2
7471	Hydrogen_Bond_Donor_Count	0
101365706	Hydrogen_Bond_Acceptor_Count	2
5964319	TPSA	76
66742	Hydrogen_Bond_Donor_Count	0
54178371	Non-hydrogen_Atom_Count	7
24818	Structure_Complexity	37.1
102258	Defined_Bond_Stereo_Count	0
890718	Undefined_Atom_Stereo_Count	0
222865	Total_Formal_Charge	0
66823423	Mono_Isotopic_Weight	135.00447060
22553	Exact_Mass	201.0920418
9961878	Tautomer_Count	54
446157	Hydrogen_Bond_Donor_Count	3
10066	Mono_Isotopic_Weight	361.875716
13616	Undefined_Bond_Stereo_Count	0
91067785	Covalent_Unit_Count	1
30429	Isotope_Atom_Count	0
21343689	Covalent_Unit_Count	1
75777	Mono_Isotopic_Weight	187.063328530
758105	Hydrogen_Bond_Donor_Count	2
130152397	Exact_Mass	112.052429494
62232603	XLogP3-AA	0
96420	Exact_Mass	165.090211983
25182616	Isotope_Atom_Count	0
8383	Undefined_Atom_Stereo_Count	0
809629	Rotatable_Bond_Count	3
84614	Defined_Bond_Stereo_Count	0
139024271	Undefined_Bond_Stereo_Count	0
19471	Defined_Atom_Stereo_Count	0
16415729	Non-hydrogen_Atom_Count	18
27775	Rotatable_Bond_Count	3
3254	Mono_Isotopic_Weight	708.37209184
44559553	Total_Formal_Charge	0
47795	Mono_Isotopic_Weight	229.08268182
164167667	Total_Formal_Charge	0
86585	Defined_Bond_Stereo_Count	0
216	Hydrogen_Bond_Acceptor_Count	7
522636	Mono_Isotopic_Weight	346.14163842
24769	Structure_Complexity	90.2
2193	XLogP3	2.7
92703	Mono_Isotopic_Weight	374.0781827
49800054	XLogP3	3.4
30885	Hydrogen_Bond_Acceptor_Count	4
15765	Isotope_Atom_Count	0
6440459	Total_Formal_Charge	0
11215	Hydrogen_Bond_Acceptor_Count	0
129726050	Exact_Mass	512.11299
92667	Total_Formal_Charge	0
65506	Covalent_Unit_Count	5
91084145	Total_Formal_Charge	0
133612130	Hydrogen_Bond_Donor_Count	3
25137870	TPSA	51.6
20326	Defined_Atom_Stereo_Count	0
216265	Rotatable_Bond_Count	10
5267	Molecular_Weight	416.6
19935257	Non-hydrogen_Atom_Count	7
657210	Structure_Complexity	130
25201948	Isotope_Atom_Count	0
9824345	Mono_Isotopic_Weight	436.15691181
98502	Non-hydrogen_Atom_Count	8
23615408	Defined_Bond_Stereo_Count	0
445892	Total_Formal_Charge	0
10118131	Defined_Atom_Stereo_Count	0
22859	Total_Formal_Charge	0
7285	Hydrogen_Bond_Donor_Count	0
40895	Isotope_Atom_Count	0
233613	Hydrogen_Bond_Donor_Count	1
57390699	Undefined_Atom_Stereo_Count	0
23581869	Defined_Atom_Stereo_Count	0
2781	Structure_Complexity	376
230976	Molecular_Weight	193.11
72568	Structure_Complexity	322
135406868	Exact_Mass	130.01268994
3467	Hydrogen_Bond_Acceptor_Count	12
12295187	Rotatable_Bond_Count	0
156595875	Hydrogen_Bond_Acceptor_Count	18
12172743	XLogP3-AA	1.3
31315	Undefined_Bond_Stereo_Count	0
74864	Hydrogen_Bond_Donor_Count	1
3593	Hydrogen_Bond_Donor_Count	3
92089	Molecular_Weight	349.4
53705537	Defined_Bond_Stereo_Count	0
4767	Structure_Complexity	512
46231497	Hydrogen_Bond_Acceptor_Count	5
107879	Hydrogen_Bond_Acceptor_Count	8
917	Exact_Mass	153.10144537
3237289	Undefined_Bond_Stereo_Count	0
919792	Total_Formal_Charge	0
5280443	Mono_Isotopic_Weight	270.05282342
11412346	Mono_Isotopic_Weight	97.089149355
169148	Exact_Mass	202.14297583
15123310	Hydrogen_Bond_Acceptor_Count	3
17841212	Exact_Mass	97.027611728
1068	TPSA	25.3
87349895	TPSA	60.7
14139322	Hydrogen_Bond_Acceptor_Count	1
174048	TPSA	93.1
10557575	Mono_Isotopic_Weight	871.36264935
11702	Covalent_Unit_Count	1
91538	Defined_Atom_Stereo_Count	0
5311505	Undefined_Atom_Stereo_Count	0
57874	Covalent_Unit_Count	1
683214	Exact_Mass	315.12190603
149164152	Defined_Bond_Stereo_Count	0
89508157	Covalent_Unit_Count	1
348253	Rotatable_Bond_Count	2
3567233	Isotope_Atom_Count	0
79332	TPSA	35.5
21958	Non-hydrogen_Atom_Count	7
41368	Non-hydrogen_Atom_Count	20
66678	Hydrogen_Bond_Donor_Count	1
23283001	Total_Formal_Charge	0
50094	TPSA	0
31117	Molecular_Weight	283.4
80554	Tautomer_Count	4
139077515	Hydrogen_Bond_Donor_Count	4
66199	Hydrogen_Bond_Donor_Count	0
12563	TPSA	0
9902	Non-hydrogen_Atom_Count	24
53315110	TPSA	56.8
2775941	Mono_Isotopic_Weight	363.373924508
71309	Non-hydrogen_Atom_Count	34
11319223	Isotope_Atom_Count	0
11315250	Structure_Complexity	527
216239	Covalent_Unit_Count	1
68986	Non-hydrogen_Atom_Count	6
838844	XLogP3-AA	2.2
53174	Hydrogen_Bond_Donor_Count	2
12480949	Structure_Complexity	94.4
57725	Tautomer_Count	1
22288608	Mono_Isotopic_Weight	106.053098200
247573	Rotatable_Bond_Count	2
135418940	Structure_Complexity	505
8969	Hydrogen_Bond_Acceptor_Count	4
14957	Non-hydrogen_Atom_Count	39
118	Molecular_Weight	87.12
11948807	Undefined_Atom_Stereo_Count	0
6324604	Defined_Bond_Stereo_Count	1
1712058	Structure_Complexity	199
58	Non-hydrogen_Atom_Count	7
174341	XLogP3	5.9
12715	Mono_Isotopic_Weight	116.094963011
9929901	Molecular_Weight	382.6
6257	Covalent_Unit_Count	1
15413224	Defined_Atom_Stereo_Count	0
10997483	Undefined_Atom_Stereo_Count	0
36688209	Rotatable_Bond_Count	7
171284	Mono_Isotopic_Weight	582.20608914
97577	Non-hydrogen_Atom_Count	17
1471775	Mono_Isotopic_Weight	396.12561169
146159909	Isotope_Atom_Count	0
90472770	Structure_Complexity	151
70068	Isotope_Atom_Count	0
67556876	Defined_Bond_Stereo_Count	1
5288615	Non-hydrogen_Atom_Count	26
447378	Undefined_Bond_Stereo_Count	0
12226	Undefined_Bond_Stereo_Count	0
44285029	Rotatable_Bond_Count	1
537142	Undefined_Bond_Stereo_Count	0
10935908	Structure_Complexity	374
69408	Tautomer_Count	1
12089	Structure_Complexity	141
49864536	Rotatable_Bond_Count	6
23714647	Total_Formal_Charge	0
20054948	Mono_Isotopic_Weight	569.29082182
16678941	Hydrogen_Bond_Acceptor_Count	8
129688356	Total_Formal_Charge	0
79322731	XLogP3-AA	1.1
71310415	Non-hydrogen_Atom_Count	26
139637653	Covalent_Unit_Count	1
23355	Defined_Atom_Stereo_Count	0
23568701	Covalent_Unit_Count	1
4507	Undefined_Bond_Stereo_Count	0
20526784	Hydrogen_Bond_Donor_Count	2
9808	Tautomer_Count	1
9813985	Structure_Complexity	327
13826	Undefined_Bond_Stereo_Count	0
5224	Defined_Bond_Stereo_Count	0
4479912	Rotatable_Bond_Count	10
596	Hydrogen_Bond_Donor_Count	4
37036	Tautomer_Count	1
534543	Total_Formal_Charge	0
130804992	TPSA	21.3
6343	TPSA	1
18947655	Exact_Mass	98.048012819
2724039	Defined_Bond_Stereo_Count	0
71397987	TPSA	38.7
90779122	Non-hydrogen_Atom_Count	7
24848330	Molecular_Weight	329.4
73707	Exact_Mass	575.6805
453214	Exact_Mass	456.12677620
156232886	Covalent_Unit_Count	1
8880	Defined_Bond_Stereo_Count	0
5414	TPSA	57.2
13674270	Defined_Atom_Stereo_Count	0
19846	Hydrogen_Bond_Donor_Count	1
129859529	XLogP3-AA	0
119830	Defined_Bond_Stereo_Count	0
25203302	Defined_Bond_Stereo_Count	0
52943302	Rotatable_Bond_Count	6
123899588	Non-hydrogen_Atom_Count	8
51136438	Structure_Complexity	261
11534927	Hydrogen_Bond_Acceptor_Count	7
413742	Exact_Mass	140.01432991
13719374	Undefined_Bond_Stereo_Count	0
12412245	Hydrogen_Bond_Donor_Count	1
14337609	Mono_Isotopic_Weight	96.057514874
18955278	Mono_Isotopic_Weight	97.052763847
197148	Tautomer_Count	1
97931	Rotatable_Bond_Count	5
5287792	Structure_Complexity	497
53470	Defined_Bond_Stereo_Count	0
50100	Undefined_Bond_Stereo_Count	0
12285863	Non-hydrogen_Atom_Count	12
22212137	Total_Formal_Charge	0
132779642	Molecular_Weight	457.4
15504	TPSA	0
398641	Total_Formal_Charge	0
170366	Undefined_Atom_Stereo_Count	2
35641	XLogP3-AA	2.5
11638363	Defined_Bond_Stereo_Count	0
162652	Tautomer_Count	1
7529	Undefined_Atom_Stereo_Count	0
74484	Rotatable_Bond_Count	1
17865	Undefined_Atom_Stereo_Count	0
62787	Rotatable_Bond_Count	4
139637653	Exact_Mass	101.047678466
206876	Hydrogen_Bond_Donor_Count	1
536549	Isotope_Atom_Count	0
5708528	Hydrogen_Bond_Donor_Count	0
46926350	TPSA	91.2
96160	Rotatable_Bond_Count	1
86747	Exact_Mass	412.370516150
139061810	Defined_Bond_Stereo_Count	0
75306	Defined_Atom_Stereo_Count	0
846297	Defined_Bond_Stereo_Count	0
65060	Total_Formal_Charge	0
53346589	Isotope_Atom_Count	0
18364059	Mono_Isotopic_Weight	86.036779430
143075695	Non-hydrogen_Atom_Count	7
71773962	Exact_Mass	363.1601214
5355863	Defined_Atom_Stereo_Count	0
4843	Defined_Bond_Stereo_Count	0
15038	Total_Formal_Charge	0
101926676	Covalent_Unit_Count	1
80102	Tautomer_Count	1
3047810	TPSA	80.7
137118	Undefined_Atom_Stereo_Count	0
3515	Covalent_Unit_Count	1
578771	Covalent_Unit_Count	1
71517699	Exact_Mass	491.0917843
70689385	Covalent_Unit_Count	1
31779	XLogP3	3.7
17963363	Undefined_Bond_Stereo_Count	0
140734	Defined_Bond_Stereo_Count	0
91168430	Defined_Bond_Stereo_Count	0
21312986	Undefined_Bond_Stereo_Count	0
136216662	Isotope_Atom_Count	0
134283942	Isotope_Atom_Count	0
16054	Structure_Complexity	126
39650	Isotope_Atom_Count	0
58028426	Total_Formal_Charge	0
14619651	Hydrogen_Bond_Acceptor_Count	4
9457	Defined_Atom_Stereo_Count	2
11355437	Exact_Mass	78.042927438
6917655	Tautomer_Count	1
644007	Undefined_Bond_Stereo_Count	0
197883	Undefined_Atom_Stereo_Count	0
135968625	XLogP3-AA	6.7
79809	Undefined_Bond_Stereo_Count	0
54710618	Rotatable_Bond_Count	1
42665	Non-hydrogen_Atom_Count	12
2582	Defined_Bond_Stereo_Count	0
5317112	Structure_Complexity	457
65728	Defined_Atom_Stereo_Count	8
21546968	Non-hydrogen_Atom_Count	8
5921	TPSA	32.7
11013485	Structure_Complexity	502
98943	Covalent_Unit_Count	1
141112	Undefined_Bond_Stereo_Count	0
102738	Total_Formal_Charge	0
53384398	Rotatable_Bond_Count	12
121494085	Structure_Complexity	2420
122608345	Covalent_Unit_Count	1
68576	Rotatable_Bond_Count	3
533460	Undefined_Bond_Stereo_Count	0
80881	Total_Formal_Charge	0
130023	Hydrogen_Bond_Donor_Count	2
31300	Isotope_Atom_Count	0
139062654	Hydrogen_Bond_Acceptor_Count	12
94744	Covalent_Unit_Count	1
57417360	Total_Formal_Charge	0
21869002	Exact_Mass	118.062994177
2764838	Rotatable_Bond_Count	1
86007746	Undefined_Bond_Stereo_Count	0
4650	Exact_Mass	108.021129366
63036	Exact_Mass	512.12098
166556	Isotope_Atom_Count	0
50	Exact_Mass	194.04265265
23675737	Undefined_Bond_Stereo_Count	0
13450	Tautomer_Count	81
66638	Non-hydrogen_Atom_Count	17
8233	Non-hydrogen_Atom_Count	51
11676068	Molecular_Weight	417.9
144161560	Rotatable_Bond_Count	1
11179267	Undefined_Atom_Stereo_Count	1
6419921	Tautomer_Count	1
70540665	Defined_Bond_Stereo_Count	0
159778730	XLogP3-AA	2.5
63546	Non-hydrogen_Atom_Count	38
53846429	Hydrogen_Bond_Donor_Count	3
32592	Rotatable_Bond_Count	7
6521	Total_Formal_Charge	0
5287958	Defined_Atom_Stereo_Count	8
23616254	Total_Formal_Charge	0
53763878	Covalent_Unit_Count	1
738681	Undefined_Atom_Stereo_Count	0
5284584	Total_Formal_Charge	0
6538982	Defined_Atom_Stereo_Count	0
6972	Hydrogen_Bond_Acceptor_Count	3
14230	Hydrogen_Bond_Acceptor_Count	1
12969	Non-hydrogen_Atom_Count	6
41017	Covalent_Unit_Count	1
9521	TPSA	52
448133	Hydrogen_Bond_Donor_Count	4
42040	Hydrogen_Bond_Donor_Count	0
11932	Defined_Bond_Stereo_Count	0
13384041	Rotatable_Bond_Count	5
60196410	Non-hydrogen_Atom_Count	41
23689036	Defined_Bond_Stereo_Count	0
11147674	Undefined_Bond_Stereo_Count	0
8146	Undefined_Bond_Stereo_Count	0
9460	Undefined_Bond_Stereo_Count	0
11181	Molecular_Weight	100.12
13611196	Molecular_Weight	108.18
117915	Structure_Complexity	105
636822	Molecular_Weight	208.25
10321331	Exact_Mass	191.0753733
16063805	Rotatable_Bond_Count	7
133967	Defined_Bond_Stereo_Count	0
10336	Undefined_Bond_Stereo_Count	1
39521	Total_Formal_Charge	0
854749	Exact_Mass	248.094963011
98279	Mono_Isotopic_Weight	98.073164938
72199539	XLogP3-AA	4.4
15981323	Undefined_Atom_Stereo_Count	0
17050	Molecular_Weight	171.24
56593143	Molecular_Weight	400.5
12536263	Covalent_Unit_Count	1
135951	Molecular_Weight	279.27
139062656	Undefined_Atom_Stereo_Count	0
14920524	XLogP3-AA	0.5
59910362	Undefined_Atom_Stereo_Count	1
54337282	Defined_Bond_Stereo_Count	0
23995	Rotatable_Bond_Count	0
134693946	TPSA	180
9740	Exact_Mass	85.016378338
13992155	XLogP3-AA	6.6
3694570	Rotatable_Bond_Count	7
184644	Exact_Mass	856.39266112
694857	Rotatable_Bond_Count	5
91996	Total_Formal_Charge	0
34260	Exact_Mass	356.29265975
85663349	Rotatable_Bond_Count	3
524270	TPSA	18.5
34001	Molecular_Weight	341.8
67488	Structure_Complexity	114
18928374	Structure_Complexity	94
15547628	Undefined_Atom_Stereo_Count	0
128682	Non-hydrogen_Atom_Count	24
73707356	TPSA	145
17258	Defined_Bond_Stereo_Count	0
7790	Rotatable_Bond_Count	11
6432591	Molecular_Weight	38.05
25875	Undefined_Bond_Stereo_Count	0
26747	Defined_Bond_Stereo_Count	0
81261	Isotope_Atom_Count	0
71713951	Covalent_Unit_Count	1
86384	Defined_Bond_Stereo_Count	0
6633	Molecular_Weight	253.36
6536864	Defined_Bond_Stereo_Count	1
37270	Hydrogen_Bond_Donor_Count	0
23435	Hydrogen_Bond_Donor_Count	1
68396089	Exact_Mass	114.104465066
908617	Undefined_Bond_Stereo_Count	0
60285	Covalent_Unit_Count	1
91259187	Defined_Bond_Stereo_Count	0
91169414	Defined_Atom_Stereo_Count	0
87642220	Non-hydrogen_Atom_Count	23
5167	TPSA	140
22022636	Molecular_Weight	86.14
67175581	Total_Formal_Charge	0
63075	Hydrogen_Bond_Acceptor_Count	0
6293	Undefined_Atom_Stereo_Count	0
6501	Defined_Atom_Stereo_Count	0
123347340	Covalent_Unit_Count	1
22464	Total_Formal_Charge	0
12346974	Molecular_Weight	110.15
197344	Molecular_Weight	352.79
136115428	Molecular_Weight	111.11
68840	Total_Formal_Charge	0
521938	Defined_Bond_Stereo_Count	0
3393610	Undefined_Bond_Stereo_Count	0
317883	Defined_Atom_Stereo_Count	0
135405908	Total_Formal_Charge	0
70690636	Non-hydrogen_Atom_Count	29
72402	Mono_Isotopic_Weight	363.12190603
12648672	Molecular_Weight	102.13
91884755	Rotatable_Bond_Count	6
13463247	Defined_Atom_Stereo_Count	0
11527282	Undefined_Bond_Stereo_Count	0
62999	Tautomer_Count	1
55067	Rotatable_Bond_Count	0
4066245	Non-hydrogen_Atom_Count	22
27756	Defined_Atom_Stereo_Count	0
186068	Covalent_Unit_Count	1
66622526	Undefined_Bond_Stereo_Count	0
12701401	Mono_Isotopic_Weight	112.088815002
18446289	Structure_Complexity	105
71470	Mono_Isotopic_Weight	518.26798174
123754760	Defined_Atom_Stereo_Count	0
123481823	Covalent_Unit_Count	1
21482439	Structure_Complexity	70.8
21145	TPSA	0
15109863	Hydrogen_Bond_Acceptor_Count	1
44392220	Hydrogen_Bond_Donor_Count	1
6324	Undefined_Bond_Stereo_Count	0
60160561	Undefined_Bond_Stereo_Count	0
11251	XLogP3	0.8
22065216	Defined_Atom_Stereo_Count	0
6476333	Tautomer_Count	288
24490	Tautomer_Count	1
21534	Hydrogen_Bond_Donor_Count	2
21866494	Exact_Mass	101.047678466
130642949	Total_Formal_Charge	0
9831417	Defined_Atom_Stereo_Count	2
644109	TPSA	389
20769	Hydrogen_Bond_Donor_Count	0
168924	Hydrogen_Bond_Donor_Count	0
14690973	TPSA	26.3
30137	Covalent_Unit_Count	1
23666112	TPSA	95.6
53851	Molecular_Weight	317.5
12873460	Tautomer_Count	28
675533	Defined_Bond_Stereo_Count	0
68120	Defined_Atom_Stereo_Count	0
2100	Structure_Complexity	1840
442474	Tautomer_Count	1
87212	TPSA	90.6
139592645	Exact_Mass	298.04773803
22902239	Rotatable_Bond_Count	0
10407447	Defined_Atom_Stereo_Count	8
11804710	Defined_Bond_Stereo_Count	0
10678209	Molecular_Weight	114.14
23306082	Structure_Complexity	410
537142	Defined_Atom_Stereo_Count	0
137231010	Rotatable_Bond_Count	5
5975	Undefined_Bond_Stereo_Count	0
47714	Isotope_Atom_Count	0
2461	XLogP3	2.9
369976	Rotatable_Bond_Count	7
45356872	Defined_Bond_Stereo_Count	0
236114	Undefined_Atom_Stereo_Count	2
71365	Isotope_Atom_Count	0
23377620	Defined_Atom_Stereo_Count	0
11235728	Molecular_Weight	429.4
40459111	Structure_Complexity	370
123373475	Undefined_Atom_Stereo_Count	3
16130957	Mono_Isotopic_Weight	1568.8423034
118053313	Undefined_Atom_Stereo_Count	2
134070	Structure_Complexity	688
12224256	Undefined_Atom_Stereo_Count	0
2463138	Rotatable_Bond_Count	2
630355	Isotope_Atom_Count	0
25014762	TPSA	66
6432746	Covalent_Unit_Count	1
5395	Rotatable_Bond_Count	0
19965	Undefined_Atom_Stereo_Count	0
5282340	Tautomer_Count	1
153852218	XLogP3-AA	0
17739	Non-hydrogen_Atom_Count	12
12373717	Mono_Isotopic_Weight	114.068079557
9517	Molecular_Weight	208.25
43102	Hydrogen_Bond_Acceptor_Count	2
16051955	Rotatable_Bond_Count	13
150736	Mono_Isotopic_Weight	204.06338810
1550213	Tautomer_Count	1
16950	Total_Formal_Charge	0
42095	Isotope_Atom_Count	0
181255	Rotatable_Bond_Count	1
24883486	Undefined_Bond_Stereo_Count	0
2801745	Defined_Atom_Stereo_Count	0
76223445	TPSA	26
5288365	Covalent_Unit_Count	1
13945	Rotatable_Bond_Count	4
14601425	Undefined_Bond_Stereo_Count	0
1206	Tautomer_Count	1
16684171	Non-hydrogen_Atom_Count	5
11064594	XLogP3-AA	0.8
14274724	Molecular_Weight	352.6
55291464	Covalent_Unit_Count	1
57526	Defined_Bond_Stereo_Count	0
412781	Undefined_Bond_Stereo_Count	0
93898	Rotatable_Bond_Count	0
347402	Hydrogen_Bond_Donor_Count	1
15570483	Total_Formal_Charge	0
903675	Rotatable_Bond_Count	4
66969	Tautomer_Count	1
2319	Molecular_Weight	335.28
35758	Total_Formal_Charge	0
159027	XLogP3-AA	0.6
2825062	Mono_Isotopic_Weight	638.09720
21791020	Non-hydrogen_Atom_Count	8
54077	TPSA	83.2
17736	Structure_Complexity	184
272079	Non-hydrogen_Atom_Count	8
17930361	Mono_Isotopic_Weight	112.125200510
4262071	Defined_Bond_Stereo_Count	0
71624469	Mono_Isotopic_Weight	336.15862589
6918663	Mono_Isotopic_Weight	401.0634615
44319	XLogP3-AA	5.6
448042	Undefined_Atom_Stereo_Count	0
19911136	Covalent_Unit_Count	1
50142	Molecular_Weight	294.5
13319222	Non-hydrogen_Atom_Count	7
43517	Mono_Isotopic_Weight	301.11365002
88273595	Mono_Isotopic_Weight	116.058577502
91408842	Total_Formal_Charge	0
587322	Exact_Mass	419.972292
11586912	TPSA	114
15123310	Mono_Isotopic_Weight	295.0512396
46193079	XLogP3	8.1
121207282	Structure_Complexity	155
66136	Hydrogen_Bond_Acceptor_Count	4
10975405	Molecular_Weight	85.10
6642	Molecular_Weight	214.28
70682976	Undefined_Atom_Stereo_Count	0
21843609	Rotatable_Bond_Count	2
6438331	Defined_Atom_Stereo_Count	2
596091	Mono_Isotopic_Weight	220.146329876
80690	Molecular_Weight	349.9
66080	Exact_Mass	96.093900383
458645	Total_Formal_Charge	1
715513	Undefined_Bond_Stereo_Count	0
87851	Total_Formal_Charge	0
56840877	Non-hydrogen_Atom_Count	13
59116084	Molecular_Weight	178.18
25101755	Structure_Complexity	705
60992	Covalent_Unit_Count	2
12844	Undefined_Atom_Stereo_Count	1
7161	TPSA	35.5
25256833	Mono_Isotopic_Weight	275.18584370
146159909	Rotatable_Bond_Count	13
22967002	Rotatable_Bond_Count	0
5257090	Non-hydrogen_Atom_Count	20
7436	Rotatable_Bond_Count	3
17948	Covalent_Unit_Count	2
5362772	Isotope_Atom_Count	0
68303	Exact_Mass	231.92906
23617864	Hydrogen_Bond_Acceptor_Count	2
123481823	Rotatable_Bond_Count	0
45085047	Structure_Complexity	139
53167	Exact_Mass	100.100048391
9953887	Isotope_Atom_Count	0
94647	TPSA	12.9
163050677	Exact_Mass	284.16237386
114829	Undefined_Atom_Stereo_Count	0
91472	Hydrogen_Bond_Acceptor_Count	1
20055294	Covalent_Unit_Count	1
6256685	Covalent_Unit_Count	1
31348	Defined_Atom_Stereo_Count	0
102492967	Rotatable_Bond_Count	6
225710	Total_Formal_Charge	0
71391	Mono_Isotopic_Weight	260.05321734
87479093	XLogP3-AA	0.6
10022	Exact_Mass	153.97934
70810	XLogP3	1.2
528856	Exact_Mass	196.04141403
5365773	Isotope_Atom_Count	0
90993	Tautomer_Count	6
12298558	Exact_Mass	115.063328530
6857732	Covalent_Unit_Count	1
11083832	Undefined_Atom_Stereo_Count	0
12041	Tautomer_Count	2
14714336	Defined_Atom_Stereo_Count	0
16308	Rotatable_Bond_Count	1
46224600	Isotope_Atom_Count	0
1356	TPSA	147
68794	Undefined_Atom_Stereo_Count	3
447043	Hydrogen_Bond_Acceptor_Count	14
875202	Defined_Atom_Stereo_Count	0
16212088	Non-hydrogen_Atom_Count	12
31729	Exact_Mass	287.15214353
3082127	Mono_Isotopic_Weight	225.95807833
60196323	Exact_Mass	392.1689124
455799	Covalent_Unit_Count	2
58265621	Non-hydrogen_Atom_Count	7
25151352	Defined_Atom_Stereo_Count	0
45040320	Covalent_Unit_Count	1
24838350	Undefined_Bond_Stereo_Count	0
104881	Structure_Complexity	500
1242	Structure_Complexity	291
16051	Defined_Atom_Stereo_Count	0
11700696	Undefined_Bond_Stereo_Count	0
283992	Mono_Isotopic_Weight	118.062994177
69497	Covalent_Unit_Count	1
6477715	Hydrogen_Bond_Acceptor_Count	6
16667503	Isotope_Atom_Count	0
13652	Undefined_Atom_Stereo_Count	0
53316138	Defined_Atom_Stereo_Count	6
7000	Covalent_Unit_Count	1
53486170	Defined_Bond_Stereo_Count	0
543047	Mono_Isotopic_Weight	114.068079557
118208260	Undefined_Atom_Stereo_Count	0
2734250	TPSA	74.4
9973981	Molecular_Weight	331.8
74888	Mono_Isotopic_Weight	473.91501
55290897	Undefined_Atom_Stereo_Count	0
6918331	Mono_Isotopic_Weight	432.18854386
3021	Exact_Mass	451.26421316
21924633	Hydrogen_Bond_Acceptor_Count	1
12132	Defined_Bond_Stereo_Count	0
2760056	Tautomer_Count	4
54420681	Mono_Isotopic_Weight	116.083729621
67258795	Hydrogen_Bond_Donor_Count	0
9460	Defined_Atom_Stereo_Count	0
9793703	Exact_Mass	98.059246208
11122050	Defined_Bond_Stereo_Count	0
11454753	Hydrogen_Bond_Acceptor_Count	6
2723789	Tautomer_Count	3
78485	Structure_Complexity	17.6
9984487	Total_Formal_Charge	0
153969622	Covalent_Unit_Count	1
10887879	Molecular_Weight	118.17
57484	Defined_Atom_Stereo_Count	0
143228476	Defined_Atom_Stereo_Count	0
1584822	Isotope_Atom_Count	0
163050684	Covalent_Unit_Count	1
54688694	Rotatable_Bond_Count	2
6803597	Non-hydrogen_Atom_Count	26
10953453	Structure_Complexity	129
5461056	Undefined_Atom_Stereo_Count	1
70678896	Hydrogen_Bond_Acceptor_Count	18
77797	Undefined_Atom_Stereo_Count	0
4159	Hydrogen_Bond_Donor_Count	3
413544	Non-hydrogen_Atom_Count	21
59107469	Defined_Atom_Stereo_Count	0
12004215	Defined_Atom_Stereo_Count	9
1792	XLogP3	2.2
139211202	XLogP3-AA	4.2
3732019	Undefined_Bond_Stereo_Count	0
10086969	Non-hydrogen_Atom_Count	6
133952	Isotope_Atom_Count	0
5284380	Rotatable_Bond_Count	5
11441554	Undefined_Atom_Stereo_Count	0
2734086	Molecular_Weight	446.7
67247849	Defined_Bond_Stereo_Count	0
19077486	Mono_Isotopic_Weight	444.1728319
135474265	Defined_Bond_Stereo_Count	0
77674	Hydrogen_Bond_Acceptor_Count	1
7977	Rotatable_Bond_Count	0
53869568	Hydrogen_Bond_Donor_Count	0
19782729	TPSA	43.1
619250	Non-hydrogen_Atom_Count	19
128563	TPSA	109
22035328	Defined_Bond_Stereo_Count	0
123131999	Undefined_Atom_Stereo_Count	1
21359349	Hydrogen_Bond_Acceptor_Count	1
52936034	TPSA	75.7
15477807	Non-hydrogen_Atom_Count	23
11415	Total_Formal_Charge	0
10202492	Undefined_Bond_Stereo_Count	0
6989253	Undefined_Bond_Stereo_Count	0
155292829	TPSA	365
3827	Mono_Isotopic_Weight	309.11873540
55861	Covalent_Unit_Count	1
68205	Tautomer_Count	5
16220118	Isotope_Atom_Count	0
651720	Undefined_Atom_Stereo_Count	0
76957520	Hydrogen_Bond_Donor_Count	3
5198	Hydrogen_Bond_Donor_Count	1
9938	Covalent_Unit_Count	1
23689390	Defined_Bond_Stereo_Count	0
185792	Hydrogen_Bond_Donor_Count	1
1097	TPSA	347
415628	XLogP3-AA	2
160692	Mono_Isotopic_Weight	251.094628657
701	Undefined_Atom_Stereo_Count	1
19217	Defined_Atom_Stereo_Count	0
78350	Total_Formal_Charge	0
537037	Non-hydrogen_Atom_Count	39
23713799	Isotope_Atom_Count	0
52355	Undefined_Bond_Stereo_Count	0
70695760	Defined_Atom_Stereo_Count	0
89708952	Defined_Atom_Stereo_Count	0
51668574	Mono_Isotopic_Weight	465.18212350
118797621	Mono_Isotopic_Weight	181.06674293
87906	Molecular_Weight	96.17
11073348	Hydrogen_Bond_Donor_Count	2
12302681	Hydrogen_Bond_Acceptor_Count	11
21579051	Undefined_Bond_Stereo_Count	0
94865124	Covalent_Unit_Count	1
4644996	Mono_Isotopic_Weight	106.98029013
17754081	Structure_Complexity	98
342238	Isotope_Atom_Count	0
2444	Hydrogen_Bond_Acceptor_Count	2
4168142	Defined_Atom_Stereo_Count	0
15953353	Mono_Isotopic_Weight	446.19470727
11592	Total_Formal_Charge	0
16212481	Exact_Mass	422.07686844
12079	Isotope_Atom_Count	0
163359784	Undefined_Bond_Stereo_Count	0
12257272	Defined_Bond_Stereo_Count	0
5466139	Non-hydrogen_Atom_Count	20
45880	XLogP3-AA	2.2
135456058	Mono_Isotopic_Weight	516.16787042
10992	Rotatable_Bond_Count	4
21692	TPSA	56.3
48104	Exact_Mass	259.1339066
22140765	Defined_Atom_Stereo_Count	0
79143	Hydrogen_Bond_Donor_Count	1
65014	Covalent_Unit_Count	9
17960143	Structure_Complexity	70
2933256	Defined_Bond_Stereo_Count	0
62907	Hydrogen_Bond_Donor_Count	1
4361	Exact_Mass	327.256214676
96339	Tautomer_Count	2
3798	Covalent_Unit_Count	1
16129710	Hydrogen_Bond_Donor_Count	24
6602308	Rotatable_Bond_Count	11
73425158	Structure_Complexity	138
2543	Defined_Bond_Stereo_Count	0
5711036	Exact_Mass	179.05171847
10975445	Non-hydrogen_Atom_Count	8
22763696	Hydrogen_Bond_Acceptor_Count	2
13224	XLogP3	2.3
248271	XLogP3-AA	6.9
9839657	Rotatable_Bond_Count	3
606990	Defined_Atom_Stereo_Count	0
24781	Molecular_Weight	99.09
636402	Rotatable_Bond_Count	4
59567216	Defined_Bond_Stereo_Count	0
12720	Mono_Isotopic_Weight	52.0313001276
61011	Total_Formal_Charge	0
651092	Hydrogen_Bond_Acceptor_Count	7
303830	Total_Formal_Charge	0
75358112	Rotatable_Bond_Count	6
71309208	Hydrogen_Bond_Acceptor_Count	0
87035	Exact_Mass	192.126263138
8730	Tautomer_Count	2
6917662	Hydrogen_Bond_Donor_Count	2
15938	Total_Formal_Charge	0
27145	Undefined_Atom_Stereo_Count	0
261000	Tautomer_Count	13
66587385	Non-hydrogen_Atom_Count	7
11233	Non-hydrogen_Atom_Count	8
11344362	Isotope_Atom_Count	1
11424880	Hydrogen_Bond_Donor_Count	1
3383476	Molecular_Weight	465.4
34875	Total_Formal_Charge	0
234117	Total_Formal_Charge	0
3641960	Undefined_Atom_Stereo_Count	0
13165124	Total_Formal_Charge	0
88402732	Undefined_Bond_Stereo_Count	0
4969	Tautomer_Count	10
60196413	Exact_Mass	474.25522887
10246085	Hydrogen_Bond_Acceptor_Count	3
13831	Exact_Mass	202.185037859
3083542	Exact_Mass	400.26135963
122356	Molecular_Weight	130.19
51357127	Structure_Complexity	614
9356	Covalent_Unit_Count	1
431630	Molecular_Weight	100.12
54418364	Undefined_Atom_Stereo_Count	1
54576693	Isotope_Atom_Count	0
297888	TPSA	54.4
70691154	XLogP3-AA	3.3
91195	TPSA	17.1
903687	Hydrogen_Bond_Acceptor_Count	4
46204458	Total_Formal_Charge	0
55246	TPSA	87.9
586083	Non-hydrogen_Atom_Count	16
22477643	TPSA	39.6
16197725	Defined_Atom_Stereo_Count	60
3335	Mono_Isotopic_Weight	254.094294304
11574	TPSA	0
40539	Hydrogen_Bond_Donor_Count	3
2723694	Covalent_Unit_Count	1
10435916	Non-hydrogen_Atom_Count	35
75987092	Hydrogen_Bond_Acceptor_Count	5
278715	Covalent_Unit_Count	1
122534114	Hydrogen_Bond_Donor_Count	8
135398516	Structure_Complexity	630
3467	Structure_Complexity	636
90658992	Rotatable_Bond_Count	6
5314562	Covalent_Unit_Count	1
54475	Hydrogen_Bond_Acceptor_Count	1
20202559	Hydrogen_Bond_Donor_Count	0
326	Total_Formal_Charge	0
23554324	Exact_Mass	103.063328530
63255	XLogP3	2.9
63409	Total_Formal_Charge	0
19385	Total_Formal_Charge	0
10109058	Molecular_Weight	358.5
61908709	Non-hydrogen_Atom_Count	8
16211113	Rotatable_Bond_Count	3
135398508	Defined_Bond_Stereo_Count	0
3038481	Hydrogen_Bond_Acceptor_Count	11
17912	Tautomer_Count	3
19600405	Undefined_Atom_Stereo_Count	0
46936966	Undefined_Atom_Stereo_Count	0
79772	Undefined_Atom_Stereo_Count	0
87470	Defined_Atom_Stereo_Count	0
87348	Mono_Isotopic_Weight	332.10840961
18281	Total_Formal_Charge	0
11181	Structure_Complexity	79.8
295275	Mono_Isotopic_Weight	318.0771200
14022517	Defined_Atom_Stereo_Count	0
18233	Isotope_Atom_Count	0
12221	Non-hydrogen_Atom_Count	4
8035	Undefined_Bond_Stereo_Count	0
11385	Exact_Mass	194.084398327
21130160	Non-hydrogen_Atom_Count	8
9920377	Covalent_Unit_Count	1
118855445	Non-hydrogen_Atom_Count	47
11450633	Undefined_Bond_Stereo_Count	0
69370	Hydrogen_Bond_Acceptor_Count	2
82464	Defined_Atom_Stereo_Count	0
5464190	Exact_Mass	480.12496023
487	Structure_Complexity	103
65834	Undefined_Atom_Stereo_Count	0
564980	Exact_Mass	177.090211983
2734236	Structure_Complexity	93.3
443980	Rotatable_Bond_Count	5
19089031	Non-hydrogen_Atom_Count	7
54084075	Hydrogen_Bond_Acceptor_Count	7
20774105	Defined_Bond_Stereo_Count	0
22544	Isotope_Atom_Count	0
35384	Mono_Isotopic_Weight	331.0975211
21987892	Hydrogen_Bond_Donor_Count	0
135398670	Hydrogen_Bond_Acceptor_Count	5
71311389	Exact_Mass	257.925853
101103333	TPSA	0
118701518	Undefined_Bond_Stereo_Count	0
91277	Structure_Complexity	342
97729	Total_Formal_Charge	0
44230575	Non-hydrogen_Atom_Count	34
68901	Rotatable_Bond_Count	3
123620036	Isotope_Atom_Count	0
16213698	TPSA	267
5312108	Isotope_Atom_Count	0
126963444	Undefined_Atom_Stereo_Count	0
85588	Hydrogen_Bond_Donor_Count	0
14946164	Defined_Bond_Stereo_Count	0
144161560	Exact_Mass	97.052763847
2733939	Exact_Mass	535.761912
129859783	Hydrogen_Bond_Donor_Count	1
24974448	Mono_Isotopic_Weight	95.037113783
72370	Undefined_Bond_Stereo_Count	0
44578649	Rotatable_Bond_Count	7
78485	Undefined_Bond_Stereo_Count	0
71583274	Hydrogen_Bond_Donor_Count	2
71171	Exact_Mass	679.26758446
57433782	Isotope_Atom_Count	0
56955286	Non-hydrogen_Atom_Count	28
2203	Undefined_Atom_Stereo_Count	3
142772	Non-hydrogen_Atom_Count	32
14373	Hydrogen_Bond_Acceptor_Count	2
16021	TPSA	20.2
19540	Mono_Isotopic_Weight	140.156500638
56983443	Undefined_Atom_Stereo_Count	0
35343	Non-hydrogen_Atom_Count	10
9963056	Tautomer_Count	5
22220875	Defined_Bond_Stereo_Count	0
37037	Undefined_Atom_Stereo_Count	0
6433117	Isotope_Atom_Count	0
10931378	Hydrogen_Bond_Donor_Count	2
19736307	Non-hydrogen_Atom_Count	38
28467	Defined_Bond_Stereo_Count	0
9877	Covalent_Unit_Count	1
51256	Non-hydrogen_Atom_Count	21
265237	Rotatable_Bond_Count	3
673664	Isotope_Atom_Count	0
11285	Rotatable_Bond_Count	1
29254	Hydrogen_Bond_Acceptor_Count	2
6604495	Hydrogen_Bond_Donor_Count	4
53909396	Covalent_Unit_Count	1
69014	Undefined_Atom_Stereo_Count	0
83645	Molecular_Weight	240.29
179512	Undefined_Bond_Stereo_Count	0
71306720	Defined_Atom_Stereo_Count	10
3801	Undefined_Bond_Stereo_Count	1
143719689	Total_Formal_Charge	0
12847949	Hydrogen_Bond_Donor_Count	1
16170150	Exact_Mass	1882.07388791
2775003	Undefined_Bond_Stereo_Count	0
5318386	XLogP3	1.8
16051918	Tautomer_Count	2
534922	Covalent_Unit_Count	1
31651	Defined_Bond_Stereo_Count	0
21932619	Undefined_Bond_Stereo_Count	0
62865	Molecular_Weight	323.5
22138511	Undefined_Bond_Stereo_Count	0
24456	Covalent_Unit_Count	5
181978	Undefined_Bond_Stereo_Count	0
15053	Undefined_Bond_Stereo_Count	0
1549992	Molecular_Weight	222.37
14819036	Defined_Bond_Stereo_Count	0
527855	TPSA	12.5
54567	Undefined_Bond_Stereo_Count	0
107780	Rotatable_Bond_Count	6
9797657	Hydrogen_Bond_Donor_Count	1
15652148	Defined_Atom_Stereo_Count	0
13166770	Undefined_Bond_Stereo_Count	0
16008685	Molecular_Weight	353.4
134976	Exact_Mass	222.08920892
20836217	XLogP3-AA	4.7
67938791	Hydrogen_Bond_Acceptor_Count	6
7529	Isotope_Atom_Count	0
249414	Rotatable_Bond_Count	2
46239	Undefined_Bond_Stereo_Count	0
863	XLogP3-AA	1
8134	Non-hydrogen_Atom_Count	8
101080369	Structure_Complexity	2.8
5284469	Total_Formal_Charge	0
44345361	Rotatable_Bond_Count	3
20299	Defined_Atom_Stereo_Count	0
9954944	Tautomer_Count	16
15461361	TPSA	26.3
15529	Isotope_Atom_Count	0
247974	TPSA	57.5
10314851	Hydrogen_Bond_Acceptor_Count	2
10451635	Rotatable_Bond_Count	1
24870942	Structure_Complexity	1220
24906321	Non-hydrogen_Atom_Count	29
42540	TPSA	18.5
12041	Isotope_Atom_Count	0
159603835	Non-hydrogen_Atom_Count	8
126667515	Rotatable_Bond_Count	2
89844	Undefined_Bond_Stereo_Count	0
146396	Hydrogen_Bond_Acceptor_Count	5
92888	Total_Formal_Charge	0
3082780	Isotope_Atom_Count	0
9795434	Molecular_Weight	270.35
39494	Exact_Mass	345.1607901
60612	TPSA	28.7
10772946	Total_Formal_Charge	0
5103	Molecular_Weight	516.5
136010411	Mono_Isotopic_Weight	109.03884512
1596	Total_Formal_Charge	0
13506	Molecular_Weight	604.5
69484	TPSA	43.4
88953	Exact_Mass	409.23654186
3823	Total_Formal_Charge	0
42608178	Defined_Atom_Stereo_Count	1
13664903	Undefined_Atom_Stereo_Count	1
78538	Hydrogen_Bond_Acceptor_Count	4
9517	Non-hydrogen_Atom_Count	14
53432	Hydrogen_Bond_Acceptor_Count	1
16156	Structure_Complexity	336
85944292	Hydrogen_Bond_Acceptor_Count	1
698364	Covalent_Unit_Count	1
25142042	Undefined_Atom_Stereo_Count	0
15190665	Rotatable_Bond_Count	0
20105	Mono_Isotopic_Weight	255.15176686
12986	Molecular_Weight	84.16
22401764	Undefined_Atom_Stereo_Count	0
22020761	Defined_Bond_Stereo_Count	0
41351	Molecular_Weight	397.8
520527	Defined_Bond_Stereo_Count	0
44392105	Exact_Mass	460.2281414
60025	Undefined_Atom_Stereo_Count	0
11195	Mono_Isotopic_Weight	153.924450
129791	Hydrogen_Bond_Donor_Count	2
13661819	Non-hydrogen_Atom_Count	7
85989631	XLogP3-AA	2.1
4043	Defined_Atom_Stereo_Count	0
14872976	Mono_Isotopic_Weight	112.074896272
638144	Defined_Bond_Stereo_Count	1
11511	Isotope_Atom_Count	0
5484731	Molecular_Weight	461.5
129514	Molecular_Weight	431.32
44310775	Mono_Isotopic_Weight	375.21580641
596593	XLogP3-AA	2
67473	Total_Formal_Charge	0
5282474	Total_Formal_Charge	0
69777	Hydrogen_Bond_Acceptor_Count	6
124524515	Molecular_Weight	342.30
5353897	Defined_Bond_Stereo_Count	1
104883	TPSA	0
86916	Tautomer_Count	1
11829369	Hydrogen_Bond_Donor_Count	0
12709	Hydrogen_Bond_Donor_Count	0
671214	Total_Formal_Charge	0
21220	TPSA	137
137642	Covalent_Unit_Count	1
371256	Rotatable_Bond_Count	3
15271454	Structure_Complexity	149
62398693	Hydrogen_Bond_Donor_Count	1
5280570	Non-hydrogen_Atom_Count	32
21792546	Non-hydrogen_Atom_Count	18
62865	Hydrogen_Bond_Donor_Count	0
67482753	Defined_Atom_Stereo_Count	0
16760139	Defined_Bond_Stereo_Count	0
5967	Non-hydrogen_Atom_Count	42
22726089	Defined_Atom_Stereo_Count	0
13612132	Non-hydrogen_Atom_Count	8
14315	TPSA	0
134689739	Exact_Mass	532.07225596
5966	Molecular_Weight	556.8
2735172	Rotatable_Bond_Count	0
277	Mono_Isotopic_Weight	61.016378338
26375	Total_Formal_Charge	0
67242154	Structure_Complexity	113
12885796	Mono_Isotopic_Weight	116.120115130
54584797	Exact_Mass	300.16379146
69189	TPSA	63.3
10409908	Undefined_Bond_Stereo_Count	0
21805682	Hydrogen_Bond_Acceptor_Count	2
398701	Defined_Bond_Stereo_Count	0
869	Hydrogen_Bond_Donor_Count	10
69465	Defined_Atom_Stereo_Count	0
83694167	Defined_Atom_Stereo_Count	0
1110	Rotatable_Bond_Count	3
122672143	TPSA	9.2
20587905	Defined_Atom_Stereo_Count	0
21501	Hydrogen_Bond_Donor_Count	1
143051390	Mono_Isotopic_Weight	99.068413911
53396306	Defined_Bond_Stereo_Count	0
779642	Covalent_Unit_Count	1
2955894	XLogP3-AA	3.6
24946105	TPSA	108
3924	Mono_Isotopic_Weight	235.181038361
44560911	Covalent_Unit_Count	1
61918	XLogP3-AA	0.6
163143	Undefined_Bond_Stereo_Count	0
2447	Isotope_Atom_Count	0
144731084	Hydrogen_Bond_Donor_Count	1
77751	Defined_Bond_Stereo_Count	0
42438	Covalent_Unit_Count	1
5746249	Defined_Bond_Stereo_Count	1
12730529	Non-hydrogen_Atom_Count	11
53773588	Isotope_Atom_Count	0
249778	Rotatable_Bond_Count	0
232326	Defined_Atom_Stereo_Count	0
16239	Defined_Atom_Stereo_Count	0
9965424	Rotatable_Bond_Count	3
26185	Non-hydrogen_Atom_Count	17
14895679	Molecular_Weight	87.12
56672297	Structure_Complexity	690
53718834	Undefined_Atom_Stereo_Count	1
107751	XLogP3-AA	3.3
88735	Undefined_Atom_Stereo_Count	0
13297684	Total_Formal_Charge	0
36588	Covalent_Unit_Count	1
117965	Covalent_Unit_Count	2
8667	Non-hydrogen_Atom_Count	19
66858	Hydrogen_Bond_Donor_Count	1
80376	Undefined_Bond_Stereo_Count	0
71334656	Structure_Complexity	156
17963363	Non-hydrogen_Atom_Count	34
74839	Molecular_Weight	207.23
8718	Hydrogen_Bond_Acceptor_Count	2
24020	Undefined_Bond_Stereo_Count	0
410702	Hydrogen_Bond_Acceptor_Count	2
22882	Non-hydrogen_Atom_Count	21
42840	Mono_Isotopic_Weight	337.862653
1969	Tautomer_Count	1
20848918	Molecular_Weight	385.03
163255537	Hydrogen_Bond_Donor_Count	0
3359	Exact_Mass	666.36822473
5311333	Defined_Atom_Stereo_Count	33
12278548	Defined_Atom_Stereo_Count	0
11789186	Exact_Mass	118.062994177
756	Rotatable_Bond_Count	1
7525	Mono_Isotopic_Weight	115.099714038
9824562	Mono_Isotopic_Weight	441.11476979
8834	Exact_Mass	212.177630004
458139	Hydrogen_Bond_Acceptor_Count	1
22542	Molecular_Weight	272.23
123618563	Defined_Bond_Stereo_Count	0
543565	XLogP3-AA	0.6
73895182	Non-hydrogen_Atom_Count	23
10957430	Tautomer_Count	3
75947	Exact_Mass	219.9281244
17787	Defined_Atom_Stereo_Count	0
19370943	Non-hydrogen_Atom_Count	8
6078	Defined_Bond_Stereo_Count	0
9909202	Total_Formal_Charge	0
165637859	Total_Formal_Charge	0
118540789	Hydrogen_Bond_Donor_Count	1
305	Mono_Isotopic_Weight	104.107539070
19809513	Structure_Complexity	104
30668	Structure_Complexity	263
13019047	Total_Formal_Charge	0
16049088	XLogP3-AA	2.9
68289914	Undefined_Atom_Stereo_Count	0
135406167	XLogP3	2.3
921599	Exact_Mass	229.121512110
148191	XLogP3-AA	5.6
751496	Isotope_Atom_Count	0
10148984	Defined_Atom_Stereo_Count	0
23079483	Isotope_Atom_Count	0
15560527	Hydrogen_Bond_Acceptor_Count	4
5496	Isotope_Atom_Count	0
87370	Hydrogen_Bond_Donor_Count	0
24868267	Defined_Atom_Stereo_Count	0
21580808	Structure_Complexity	330
73334	Isotope_Atom_Count	0
6441388	Undefined_Atom_Stereo_Count	0
53318409	Total_Formal_Charge	0
41442	Isotope_Atom_Count	0
21791633	Structure_Complexity	129
25117126	Defined_Atom_Stereo_Count	0
44392088	TPSA	69.3
2097	Undefined_Bond_Stereo_Count	0
8462	Tautomer_Count	1
49862460	Mono_Isotopic_Weight	372.18714931
7529	Undefined_Bond_Stereo_Count	0
20190619	Isotope_Atom_Count	0
14543958	Isotope_Atom_Count	0
397053	XLogP3-AA	4.5
7697	Structure_Complexity	135
135458645	Mono_Isotopic_Weight	846.44150881
96251	Defined_Bond_Stereo_Count	0
71750	TPSA	58.7
12220	XLogP3	2.3
17151	Defined_Atom_Stereo_Count	0
78412	Tautomer_Count	1
97616695	XLogP3-AA	1.5
14919832	Defined_Atom_Stereo_Count	0
6710776	TPSA	122
446286	Undefined_Atom_Stereo_Count	0
136871	Structure_Complexity	42.6
23533306	Rotatable_Bond_Count	4
91824751	Mono_Isotopic_Weight	832.52780463
449093	Rotatable_Bond_Count	4
5320128	Non-hydrogen_Atom_Count	16
126514	XLogP3-AA	3
73465	Exact_Mass	246.125594432
11681588	Non-hydrogen_Atom_Count	25
24849132	Defined_Bond_Stereo_Count	0
431094	Exact_Mass	1197.605436
11063784	Isotope_Atom_Count	0
25007799	Molecular_Weight	411.5
664419	Undefined_Atom_Stereo_Count	0
223578	Mono_Isotopic_Weight	330.21949481
6433198	Exact_Mass	829.2283373
12725	Structure_Complexity	70.1
342570	Undefined_Bond_Stereo_Count	0
28852	Hydrogen_Bond_Acceptor_Count	7
79772	Tautomer_Count	2
581206	Undefined_Atom_Stereo_Count	0
6990	Structure_Complexity	155
64692	Hydrogen_Bond_Donor_Count	1
46173365	Structure_Complexity	1120
15995	Non-hydrogen_Atom_Count	16
12892583	Non-hydrogen_Atom_Count	8
137031	Undefined_Atom_Stereo_Count	0
119259	Undefined_Bond_Stereo_Count	0
12704953	Hydrogen_Bond_Donor_Count	2
138059742	Isotope_Atom_Count	0
69016240	Structure_Complexity	229
52999	Exact_Mass	381.07430439
70688017	Defined_Atom_Stereo_Count	0
72002	Defined_Atom_Stereo_Count	0
3045407	Mono_Isotopic_Weight	578.26281617
19540	Tautomer_Count	1
96004	Undefined_Atom_Stereo_Count	0
173411	Hydrogen_Bond_Acceptor_Count	9
55472	Molecular_Weight	837.0
69334703	Defined_Atom_Stereo_Count	0
198212	Non-hydrogen_Atom_Count	13
59907918	Non-hydrogen_Atom_Count	23
29199	Hydrogen_Bond_Donor_Count	2
86122	Tautomer_Count	2
9874875	Hydrogen_Bond_Acceptor_Count	4
73802	Hydrogen_Bond_Acceptor_Count	7
40472	Hydrogen_Bond_Donor_Count	0
11829386	Total_Formal_Charge	0
56120	Non-hydrogen_Atom_Count	18
121233219	Molecular_Weight	126.18
2714	Hydrogen_Bond_Donor_Count	0
80906	Tautomer_Count	20
11434920	Hydrogen_Bond_Acceptor_Count	3
2782524	XLogP3-AA	1
108046	Molecular_Weight	348.4
60574	Rotatable_Bond_Count	5
131674917	Undefined_Bond_Stereo_Count	0
5282253	TPSA	124
639643	Isotope_Atom_Count	0
23350	Non-hydrogen_Atom_Count	7
219096	TPSA	23.5
24401	Molecular_Weight	118.936
3059	Defined_Bond_Stereo_Count	0
4179	Structure_Complexity	1470
84081255	Isotope_Atom_Count	0
12295520	Defined_Bond_Stereo_Count	0
79960033	Isotope_Atom_Count	0
217409	Tautomer_Count	4
54964	Structure_Complexity	408
454202	Tautomer_Count	2
3816071	Mono_Isotopic_Weight	286.93329724
65664	Tautomer_Count	1
81837	Mono_Isotopic_Weight	153.078978594
69311	Mono_Isotopic_Weight	190.15689456
4460	Undefined_Atom_Stereo_Count	11
92843	Mono_Isotopic_Weight	188.11609238
1878	Structure_Complexity	666
10052040	Isotope_Atom_Count	0
24848413	Undefined_Atom_Stereo_Count	0
47491	Defined_Bond_Stereo_Count	0
71916	Molecular_Weight	251.28
58079819	Hydrogen_Bond_Acceptor_Count	1
62418	Hydrogen_Bond_Acceptor_Count	3
11316094	Molecular_Weight	419.5
61680	TPSA	63.2
5283387	Isotope_Atom_Count	0
14089202	Total_Formal_Charge	0
31357	Undefined_Atom_Stereo_Count	0
5311504	Exact_Mass	428.23514488
21917771	Undefined_Atom_Stereo_Count	0
13205839	Defined_Atom_Stereo_Count	0
68416	Molecular_Weight	287.11
77828	Defined_Bond_Stereo_Count	0
9821383	Exact_Mass	383.20563565
2431	Hydrogen_Bond_Donor_Count	0
3462	Hydrogen_Bond_Donor_Count	2
54178371	Molecular_Weight	99.13
22414183	Total_Formal_Charge	0
441145	Covalent_Unit_Count	1
14840499	Defined_Bond_Stereo_Count	0
98043897	Total_Formal_Charge	0
24090	Isotope_Atom_Count	0
15765418	Undefined_Bond_Stereo_Count	0
63055	Molecular_Weight	482.6
688217	Mono_Isotopic_Weight	339.14705815
12244	XLogP3	1.1
3008895	Exact_Mass	1158.42089250
4583	Covalent_Unit_Count	1
5497105	Covalent_Unit_Count	1
123809941	Rotatable_Bond_Count	0
14010989	Isotope_Atom_Count	0
866607	Non-hydrogen_Atom_Count	23
156422	Defined_Atom_Stereo_Count	0
6710780	Undefined_Bond_Stereo_Count	0
135413525	Mono_Isotopic_Weight	241.09635999
57874	Tautomer_Count	2
92394	XLogP3-AA	0.3
22320975	Defined_Bond_Stereo_Count	0
42574	Rotatable_Bond_Count	4
5252481	Total_Formal_Charge	0
10187	Mono_Isotopic_Weight	226.062994177
130145308	Covalent_Unit_Count	1
16953	Hydrogen_Bond_Donor_Count	0
21278826	Molecular_Weight	98.15
69280558	Mono_Isotopic_Weight	115.038176411
12921732	Mono_Isotopic_Weight	82.041864811
2548	Isotope_Atom_Count	0
123917	Tautomer_Count	343
151205	Total_Formal_Charge	0
96201	XLogP3-AA	4.9
13871	Undefined_Bond_Stereo_Count	0
93971978	XLogP3-AA	2.2
44352909	Defined_Bond_Stereo_Count	0
11170938	Hydrogen_Bond_Donor_Count	0
151117	Hydrogen_Bond_Acceptor_Count	7
136053758	TPSA	56.3
123322483	Non-hydrogen_Atom_Count	7
56769	Hydrogen_Bond_Acceptor_Count	0
71406	XLogP3-AA	9.9
44338773	TPSA	138
64758	Rotatable_Bond_Count	19
16134409	Mono_Isotopic_Weight	1891.84171491
41541	Defined_Bond_Stereo_Count	0
130525028	Covalent_Unit_Count	1
20392754	Defined_Bond_Stereo_Count	0
85847719	TPSA	42.5
89512548	Total_Formal_Charge	0
17714	Hydrogen_Bond_Acceptor_Count	3
91663303	Rotatable_Bond_Count	9
416	Tautomer_Count	2
5962	Mono_Isotopic_Weight	146.105527694
23616669	Structure_Complexity	296
12096	Total_Formal_Charge	0
1305	Molecular_Weight	466.7
22160814	Hydrogen_Bond_Acceptor_Count	2
44310721	XLogP3-AA	1.3
93290	Hydrogen_Bond_Acceptor_Count	0
6436924	Molecular_Weight	360.75
88794	Defined_Bond_Stereo_Count	0
11161534	Hydrogen_Bond_Acceptor_Count	3
88948	Covalent_Unit_Count	1
163090690	Hydrogen_Bond_Donor_Count	4
535722	Hydrogen_Bond_Acceptor_Count	1
101621558	Structure_Complexity	489
3062316	Undefined_Bond_Stereo_Count	0
78137849	Total_Formal_Charge	0
11768523	Mono_Isotopic_Weight	106.053098200
94153	Defined_Atom_Stereo_Count	0
4286	Exact_Mass	341.22156050
13129	Tautomer_Count	1
15388649	Isotope_Atom_Count	0
190714	XLogP3-AA	1.3
53917786	Covalent_Unit_Count	1
3029012	Molecular_Weight	181.19
3117	Mono_Isotopic_Weight	296.05093334
18980946	Exact_Mass	113.084063974
10339178	Defined_Atom_Stereo_Count	0
11814656	XLogP3-AA	5.5
5365589	Isotope_Atom_Count	0
23700091	Molecular_Weight	224.30
220820	Hydrogen_Bond_Donor_Count	0
145754	Hydrogen_Bond_Donor_Count	3
4125253	Rotatable_Bond_Count	11
22754629	Hydrogen_Bond_Acceptor_Count	2
71825	Hydrogen_Bond_Donor_Count	1
67967	Total_Formal_Charge	0
21120209	Hydrogen_Bond_Acceptor_Count	7
4122	Hydrogen_Bond_Acceptor_Count	5
86811257	Structure_Complexity	110
7516	Defined_Bond_Stereo_Count	0
15576	Mono_Isotopic_Weight	571.7591
71401	Hydrogen_Bond_Acceptor_Count	1
76092	TPSA	63.3
156963289	Rotatable_Bond_Count	6
135421783	Isotope_Atom_Count	0
4534	Undefined_Atom_Stereo_Count	2
164511668	Molecular_Weight	230.22
81882	Covalent_Unit_Count	1
746471	Rotatable_Bond_Count	3
12428017	Undefined_Bond_Stereo_Count	0
620984	Molecular_Weight	258.4
83050	Isotope_Atom_Count	0
41331	Rotatable_Bond_Count	4
6919078	Molecular_Weight	171.24
23695982	Rotatable_Bond_Count	1
136450	Covalent_Unit_Count	1
6399027	Covalent_Unit_Count	1
165746	Undefined_Atom_Stereo_Count	0
53364498	Rotatable_Bond_Count	4
163659459	Isotope_Atom_Count	0
46783232	Undefined_Bond_Stereo_Count	0
13860942	TPSA	64.6
138979	Hydrogen_Bond_Donor_Count	0
16051971	Rotatable_Bond_Count	9
45085139	Non-hydrogen_Atom_Count	8
53174	Isotope_Atom_Count	0
2724368	Molecular_Weight	175.12
11269429	Mono_Isotopic_Weight	394.25079494
9552081	Total_Formal_Charge	0
69689	TPSA	69.6
6700	Tautomer_Count	5
81595	Exact_Mass	144.068748264
80277	Total_Formal_Charge	0
591313	XLogP3	5.1
68858	Mono_Isotopic_Weight	277.146664230
8222	Undefined_Atom_Stereo_Count	0
7474	Undefined_Bond_Stereo_Count	0
162636	Defined_Bond_Stereo_Count	0
44134719	Hydrogen_Bond_Acceptor_Count	8
10246701	Mono_Isotopic_Weight	341.17394160
61286	Defined_Bond_Stereo_Count	0
23349319	Molecular_Weight	116.11
6418719	Hydrogen_Bond_Donor_Count	1
130028324	TPSA	61.1
82528	Exact_Mass	280.240230259
11651149	Molecular_Weight	71.12
65706	XLogP3-AA	1.3
444008	Mono_Isotopic_Weight	312.208930132
90921336	Undefined_Atom_Stereo_Count	1
136733	Covalent_Unit_Count	1
70810	Rotatable_Bond_Count	1
5378708	Non-hydrogen_Atom_Count	42
6484678	Undefined_Bond_Stereo_Count	0
137240	Hydrogen_Bond_Donor_Count	0
129010376	Hydrogen_Bond_Acceptor_Count	5
54697325	Defined_Bond_Stereo_Count	0
49867704	Hydrogen_Bond_Donor_Count	2
45266646	Defined_Atom_Stereo_Count	8
5271570	Exact_Mass	228.13615911
118897473	TPSA	51.8
46783859	Total_Formal_Charge	0
127036660	Covalent_Unit_Count	1
19363031	Total_Formal_Charge	0
14578458	Non-hydrogen_Atom_Count	7
11957463	Structure_Complexity	576
20349001	Structure_Complexity	88
62753	Total_Formal_Charge	0
129689385	Undefined_Atom_Stereo_Count	0
6335951	Undefined_Atom_Stereo_Count	0
67151	Mono_Isotopic_Weight	174.136827821
14484	Tautomer_Count	2
58887274	Hydrogen_Bond_Donor_Count	1
8442	Mono_Isotopic_Weight	324.17591592
3002120	XLogP3-AA	2.7
44205191	Mono_Isotopic_Weight	308.12846858
3559	Total_Formal_Charge	0
16683093	Mono_Isotopic_Weight	1055.93579
22594079	Hydrogen_Bond_Acceptor_Count	3
11158353	Covalent_Unit_Count	1
91	Hydrogen_Bond_Donor_Count	2
5311399	Hydrogen_Bond_Acceptor_Count	5
53710320	Non-hydrogen_Atom_Count	7
3773	Hydrogen_Bond_Acceptor_Count	3
65340	Exact_Mass	189.0556563
6427991	Defined_Atom_Stereo_Count	0
15636950	Exact_Mass	100.100048391
3603	Structure_Complexity	363
15721166	Undefined_Bond_Stereo_Count	0
15260	Total_Formal_Charge	0
129652530	Hydrogen_Bond_Acceptor_Count	4
439196	TPSA	42.5
15995	Total_Formal_Charge	0
20517187	Non-hydrogen_Atom_Count	8
7065	Hydrogen_Bond_Acceptor_Count	3
224753	Defined_Atom_Stereo_Count	0
21851	Structure_Complexity	175
11815712	Mono_Isotopic_Weight	1225.94005901
558363	Structure_Complexity	50.1
139030531	XLogP3-AA	4.1
6431226	Defined_Atom_Stereo_Count	2
991601	Defined_Bond_Stereo_Count	0
148531825	Mono_Isotopic_Weight	100.100048391
5802	Exact_Mass	189.93779
1393	Isotope_Atom_Count	0
12364	Mono_Isotopic_Weight	144.089877630
1318	Defined_Bond_Stereo_Count	0
130608736	Undefined_Atom_Stereo_Count	2
225703	Non-hydrogen_Atom_Count	18
735091	Defined_Bond_Stereo_Count	0
60155273	Total_Formal_Charge	0
101587	Total_Formal_Charge	0
18360	Undefined_Bond_Stereo_Count	0
13019066	Exact_Mass	416.32904526
12514389	Covalent_Unit_Count	1
25271892	Covalent_Unit_Count	1
74262	TPSA	0
147919783	Rotatable_Bond_Count	3
910268	Non-hydrogen_Atom_Count	19
171075	Isotope_Atom_Count	0
62881	TPSA	269
89936880	Exact_Mass	527.23263824
87653	XLogP3-AA	0.3
17756938	Isotope_Atom_Count	0
66687596	TPSA	43.4
4634922	Mono_Isotopic_Weight	241.086469272
5376733	Rotatable_Bond_Count	4
59708	Hydrogen_Bond_Donor_Count	1
66376	Non-hydrogen_Atom_Count	1
472812	Isotope_Atom_Count	0
181138	Mono_Isotopic_Weight	186.115698455
6517	Undefined_Bond_Stereo_Count	0
5281426	Rotatable_Bond_Count	0
11286453	Undefined_Atom_Stereo_Count	0
7239	Rotatable_Bond_Count	0
656598	XLogP3	1.8
3894573	Undefined_Atom_Stereo_Count	0
53845104	Mono_Isotopic_Weight	87.043261792
66599	Hydrogen_Bond_Donor_Count	3
139254656	Mono_Isotopic_Weight	242.07251349
12314962	Undefined_Atom_Stereo_Count	9
9841	Undefined_Bond_Stereo_Count	0
8317	Total_Formal_Charge	0
51081	Rotatable_Bond_Count	3
8859	Undefined_Atom_Stereo_Count	0
53316391	Molecular_Weight	386.5
25381	Covalent_Unit_Count	2
2250	Defined_Bond_Stereo_Count	0
9699	Exact_Mass	133.090292168
886677	Defined_Atom_Stereo_Count	1
90771502	Non-hydrogen_Atom_Count	8
21595393	Covalent_Unit_Count	1
3033053	Covalent_Unit_Count	1
9793714	Structure_Complexity	39.1
5378597	Non-hydrogen_Atom_Count	33
36921	Mono_Isotopic_Weight	384.04497858
10895019	Defined_Bond_Stereo_Count	2
953	Hydrogen_Bond_Acceptor_Count	7
123133886	Undefined_Atom_Stereo_Count	1
7106	Undefined_Bond_Stereo_Count	0
674188	Total_Formal_Charge	0
20200448	Defined_Bond_Stereo_Count	0
30196	TPSA	57.5
56603751	Hydrogen_Bond_Acceptor_Count	9
9863827	Structure_Complexity	645
535110	Mono_Isotopic_Weight	98.073164938
123744867	Rotatable_Bond_Count	3
69990	Hydrogen_Bond_Acceptor_Count	1
71707	Mono_Isotopic_Weight	249.172878976
58270057	Hydrogen_Bond_Acceptor_Count	2
6819	Hydrogen_Bond_Acceptor_Count	6
40240	Non-hydrogen_Atom_Count	29
30951	XLogP3	2.5
24848323	Non-hydrogen_Atom_Count	16
543880	Molecular_Weight	100.16
5005	TPSA	95.9
21192814	Hydrogen_Bond_Acceptor_Count	4
10290728	Undefined_Atom_Stereo_Count	0
69690	Hydrogen_Bond_Donor_Count	0
4290	XLogP3	1
138402871	Non-hydrogen_Atom_Count	58
21658180	Isotope_Atom_Count	0
40473182	Isotope_Atom_Count	0
24849168	Mono_Isotopic_Weight	316.14230712
222536	Hydrogen_Bond_Donor_Count	0
44144474	Hydrogen_Bond_Acceptor_Count	7
134694392	Defined_Atom_Stereo_Count	4
119095542	Total_Formal_Charge	0
164877	Isotope_Atom_Count	0
11027	Molecular_Weight	152.23
1910825	Exact_Mass	369.19400834
55840	Defined_Bond_Stereo_Count	0
3035569	Structure_Complexity	175
24781	Non-hydrogen_Atom_Count	7
135398654	Hydrogen_Bond_Acceptor_Count	6
30468	Molecular_Weight	218.08
13201	Tautomer_Count	1
18781684	Covalent_Unit_Count	1
7026090	Molecular_Weight	110.11
135491830	Defined_Bond_Stereo_Count	1
86614862	Non-hydrogen_Atom_Count	21
148475193	Undefined_Bond_Stereo_Count	0
135564632	Hydrogen_Bond_Acceptor_Count	4
9531	Covalent_Unit_Count	1
86208116	Defined_Bond_Stereo_Count	0
643976	Structure_Complexity	844
15496999	Exact_Mass	97.052763847
85776583	Mono_Isotopic_Weight	116.047344113
4133	Defined_Atom_Stereo_Count	0
712967	Structure_Complexity	444
468076	Hydrogen_Bond_Acceptor_Count	7
107952	Structure_Complexity	286
179512	Hydrogen_Bond_Acceptor_Count	2
3966	Total_Formal_Charge	0
57391320	XLogP3-AA	3.1
21852	Rotatable_Bond_Count	2
6359	Exact_Mass	161.86387
8307	Defined_Bond_Stereo_Count	0
96029	Isotope_Atom_Count	0
6680	Undefined_Bond_Stereo_Count	0
11077530	TPSA	86
32924	Structure_Complexity	126
19835	Mono_Isotopic_Weight	160.146329876
5767	Total_Formal_Charge	0
1116	Defined_Atom_Stereo_Count	0
168908	Hydrogen_Bond_Acceptor_Count	6
135430970	Exact_Mass	532.19827947
133562785	Isotope_Atom_Count	0
6433288	TPSA	57.9
11788284	Molecular_Weight	114.19
5359541	Non-hydrogen_Atom_Count	7
15174589	Defined_Bond_Stereo_Count	0
54541930	Mono_Isotopic_Weight	115.063328530
6451155	Covalent_Unit_Count	1
15787996	Hydrogen_Bond_Acceptor_Count	4
51416813	Molecular_Weight	369.4
69341756	Non-hydrogen_Atom_Count	8
14045186	Non-hydrogen_Atom_Count	8
636908	Hydrogen_Bond_Acceptor_Count	9
56665393	Isotope_Atom_Count	0
631837	Rotatable_Bond_Count	6
6917778	Mono_Isotopic_Weight	282.1498911
80972	Hydrogen_Bond_Donor_Count	0
44443933	Defined_Atom_Stereo_Count	6
19928662	Hydrogen_Bond_Donor_Count	1
12358742	Undefined_Atom_Stereo_Count	1
102399	Undefined_Bond_Stereo_Count	0
53870064	Structure_Complexity	113
92403971	Mono_Isotopic_Weight	420.20088463
59660022	Mono_Isotopic_Weight	96.057514874
55255930	Defined_Atom_Stereo_Count	0
15575641	Defined_Bond_Stereo_Count	0
145644354	Covalent_Unit_Count	1
14868	TPSA	49.3
50981	Total_Formal_Charge	0
14090	Defined_Atom_Stereo_Count	0
12014	Undefined_Bond_Stereo_Count	1
137448	Hydrogen_Bond_Donor_Count	0
26314	Mono_Isotopic_Weight	900.21723713
10130120	Hydrogen_Bond_Donor_Count	2
7826	Isotope_Atom_Count	0
123485747	Defined_Bond_Stereo_Count	0
24901140	Hydrogen_Bond_Donor_Count	4
13113267	Molecular_Weight	112.17
3047787	Non-hydrogen_Atom_Count	25
46304	Defined_Bond_Stereo_Count	0
44373822	Rotatable_Bond_Count	28
154911	Isotope_Atom_Count	0
73357	Defined_Atom_Stereo_Count	10
522536	Covalent_Unit_Count	1
2167092	Tautomer_Count	1
137941	Defined_Bond_Stereo_Count	0
31070	Exact_Mass	303.10580174
35654	Structure_Complexity	472
7937	Rotatable_Bond_Count	0
680502	Non-hydrogen_Atom_Count	25
91223	Tautomer_Count	1
271488	Hydrogen_Bond_Acceptor_Count	1
11006945	Undefined_Bond_Stereo_Count	0
226147	Exact_Mass	242.094294304
21545139	Molecular_Weight	97.12
71849	Hydrogen_Bond_Acceptor_Count	2
26560	XLogP3-AA	4.1
179336	Defined_Bond_Stereo_Count	0
7400	Hydrogen_Bond_Acceptor_Count	3
71342	Total_Formal_Charge	0
18442682	Mono_Isotopic_Weight	113.084063974
76971016	TPSA	272
68315	Defined_Atom_Stereo_Count	0
2734243	Undefined_Atom_Stereo_Count	0
85446057	Non-hydrogen_Atom_Count	7
6918097	Covalent_Unit_Count	1
507806	Total_Formal_Charge	0
6497	Molecular_Weight	126.13
7897	Defined_Atom_Stereo_Count	0
72200931	Molecular_Weight	459.7
6917949	Non-hydrogen_Atom_Count	77
90478690	Isotope_Atom_Count	0
444030	Undefined_Atom_Stereo_Count	0
712377	Exact_Mass	151.00918496
54688	Covalent_Unit_Count	1
15301081	Defined_Bond_Stereo_Count	0
11542782	Isotope_Atom_Count	0
74735	Hydrogen_Bond_Donor_Count	0
67556876	Hydrogen_Bond_Acceptor_Count	3
10219385	Exact_Mass	97.052763847
197006	Undefined_Bond_Stereo_Count	0
65394	Isotope_Atom_Count	0
10197959	Isotope_Atom_Count	0
132031748	Mono_Isotopic_Weight	113.047678466
114612	Total_Formal_Charge	0
12386877	Undefined_Bond_Stereo_Count	0
445114	Tautomer_Count	4
107751	Undefined_Bond_Stereo_Count	0
90471707	Rotatable_Bond_Count	6
12500939	Structure_Complexity	80.2
2318095	Undefined_Atom_Stereo_Count	0
4996	Non-hydrogen_Atom_Count	19
11554076	Total_Formal_Charge	0
130032075	Undefined_Atom_Stereo_Count	0
56928166	Non-hydrogen_Atom_Count	145
57401683	Mono_Isotopic_Weight	452.18821194
13348002	Covalent_Unit_Count	1
517063	Structure_Complexity	122
58561829	Total_Formal_Charge	0
97727	Total_Formal_Charge	0
15074	Non-hydrogen_Atom_Count	9
733511	Isotope_Atom_Count	0
141053308	Molecular_Weight	100.12
38883	Defined_Bond_Stereo_Count	0
6458	Mono_Isotopic_Weight	294.0631547
83167	Undefined_Bond_Stereo_Count	0
69932654	Structure_Complexity	76.8
10708	Tautomer_Count	1
403805	Undefined_Bond_Stereo_Count	0
3034808	TPSA	119
9793773	Defined_Bond_Stereo_Count	0
440141	Hydrogen_Bond_Acceptor_Count	14
410906	Hydrogen_Bond_Acceptor_Count	8
519642	Covalent_Unit_Count	1
16219567	Hydrogen_Bond_Donor_Count	8
5248048	Hydrogen_Bond_Acceptor_Count	1
77680	Covalent_Unit_Count	1
7577	Structure_Complexity	157
139670117	Undefined_Atom_Stereo_Count	1
657308	Covalent_Unit_Count	2
88794	Total_Formal_Charge	0
12993402	Rotatable_Bond_Count	0
83064	Exact_Mass	318.09508215
21843609	Non-hydrogen_Atom_Count	7
118177912	Structure_Complexity	98.2
12877	Hydrogen_Bond_Acceptor_Count	0
8449	Isotope_Atom_Count	0
72683639	Mono_Isotopic_Weight	631.2692103
447476	Hydrogen_Bond_Donor_Count	4
472812	Defined_Atom_Stereo_Count	0
10909485	Defined_Atom_Stereo_Count	0
93205	Mono_Isotopic_Weight	385.17500423
5236	Rotatable_Bond_Count	0
71624685	Hydrogen_Bond_Donor_Count	1
3372016	Exact_Mass	524.11228755
5282386	TPSA	24.4
23666879	Undefined_Bond_Stereo_Count	0
66091	TPSA	92
17526	Rotatable_Bond_Count	8
23683747	Structure_Complexity	299
6537488	Total_Formal_Charge	0
62278	Undefined_Bond_Stereo_Count	0
11955	Non-hydrogen_Atom_Count	10
15951489	Molecular_Weight	372.4
10703	Total_Formal_Charge	0
289031	Rotatable_Bond_Count	3
5280445	Undefined_Atom_Stereo_Count	0
13543311	Isotope_Atom_Count	0
641773	Undefined_Bond_Stereo_Count	0
53629499	Isotope_Atom_Count	0
17894357	XLogP3-AA	0.5
11628328	Exact_Mass	566.23048886
13073879	XLogP3-AA	0
234105	Hydrogen_Bond_Donor_Count	2
19370943	Rotatable_Bond_Count	1
16436	Hydrogen_Bond_Acceptor_Count	2
134479	Defined_Bond_Stereo_Count	0
76223860	Isotope_Atom_Count	0
45511	Hydrogen_Bond_Donor_Count	0
90754	Exact_Mass	299.1189253
12243027	Undefined_Bond_Stereo_Count	0
53935056	Non-hydrogen_Atom_Count	7
643985	Covalent_Unit_Count	1
53757199	Defined_Atom_Stereo_Count	0
13275542	Defined_Atom_Stereo_Count	0
45086609	Hydrogen_Bond_Donor_Count	2
6927	Hydrogen_Bond_Acceptor_Count	5
6347538	Rotatable_Bond_Count	8
346	Non-hydrogen_Atom_Count	19
21312986	Mono_Isotopic_Weight	112.063662883
54586720	Molecular_Weight	314.4
4611060	TPSA	69.2
136837	Undefined_Bond_Stereo_Count	0
126627233	Exact_Mass	100.100048391
5343	XLogP3-AA	1.2
69967	Undefined_Atom_Stereo_Count	0
93131	Tautomer_Count	1
21889252	Mono_Isotopic_Weight	112.016043985
66727	Tautomer_Count	1
566597	Undefined_Bond_Stereo_Count	0
22170354	TPSA	86.5
142123799	Exact_Mass	102.079312947
135814	Mono_Isotopic_Weight	296.17360725
9966051	Molecular_Weight	298.4
688371	Mono_Isotopic_Weight	241.09502258
72099	Undefined_Bond_Stereo_Count	0
44310763	Covalent_Unit_Count	1
5256228	Covalent_Unit_Count	1
47912	Defined_Bond_Stereo_Count	0
138477	Defined_Bond_Stereo_Count	0
62453	Rotatable_Bond_Count	1
110789	XLogP3-AA	2.1
70141017	Hydrogen_Bond_Acceptor_Count	1
71541293	Defined_Atom_Stereo_Count	1
135413553	Non-hydrogen_Atom_Count	21
9918460	Exact_Mass	747.47822867
59295994	Covalent_Unit_Count	1
60155273	Molecular_Weight	474.6
86289068	Rotatable_Bond_Count	0
22889103	Hydrogen_Bond_Donor_Count	1
14537426	Non-hydrogen_Atom_Count	7
613952	Exact_Mass	238.110613074
6419898	TPSA	195
91065259	Rotatable_Bond_Count	0
10453145	Rotatable_Bond_Count	6
12021	Molecular_Weight	90.08
739236	Exact_Mass	239.131014166
11546620	Exact_Mass	437.19507097
70217	Defined_Atom_Stereo_Count	0
7890	Hydrogen_Bond_Donor_Count	0
3237289	TPSA	66.1
154689	XLogP3-AA	2.9
51346588	Structure_Complexity	423
1281	Defined_Bond_Stereo_Count	0
2721	Undefined_Atom_Stereo_Count	0
135410344	Hydrogen_Bond_Acceptor_Count	6
118466088	Exact_Mass	108.032362755
72786882	Structure_Complexity	395
9808844	Isotope_Atom_Count	0
317677	Covalent_Unit_Count	1
12214112	Undefined_Bond_Stereo_Count	0
83517	Mono_Isotopic_Weight	487.49806
153623425	Defined_Bond_Stereo_Count	0
138199	Total_Formal_Charge	0
101074209	Undefined_Atom_Stereo_Count	2
129840260	Mono_Isotopic_Weight	292.05964013
23684696	Defined_Atom_Stereo_Count	0
25023856	Non-hydrogen_Atom_Count	34
12394845	Rotatable_Bond_Count	0
22630677	Mono_Isotopic_Weight	107.048347172
191	Total_Formal_Charge	0
12736014	Isotope_Atom_Count	0
25137678	Tautomer_Count	1
277953	TPSA	38.3
134436906	XLogP3-AA	2.5
946372	Non-hydrogen_Atom_Count	26
84506	Hydrogen_Bond_Acceptor_Count	6
141478347	Rotatable_Bond_Count	1
67979346	TPSA	72.9
464	Non-hydrogen_Atom_Count	13
5353985	Isotope_Atom_Count	0
12740469	Molecular_Weight	114.14
44422352	Structure_Complexity	821
9417	Hydrogen_Bond_Acceptor_Count	4
114812	Undefined_Atom_Stereo_Count	0
9107	Non-hydrogen_Atom_Count	24
10472	Rotatable_Bond_Count	22
82650924	Undefined_Bond_Stereo_Count	0
56659844	Mono_Isotopic_Weight	457.22262313
84041	Isotope_Atom_Count	0
2218	Hydrogen_Bond_Acceptor_Count	2
44190553	Molecular_Weight	280.37
163090691	Mono_Isotopic_Weight	842.51400504
3081387	Non-hydrogen_Atom_Count	44
13400858	Structure_Complexity	77.4
72187527	TPSA	101
548989	Defined_Atom_Stereo_Count	0
6335951	Isotope_Atom_Count	0
6328534	Isotope_Atom_Count	0
136400	Non-hydrogen_Atom_Count	13
16990	Undefined_Bond_Stereo_Count	0
266651	Non-hydrogen_Atom_Count	47
18628727	Undefined_Bond_Stereo_Count	0
18726556	Exact_Mass	116.047344113
35489	Hydrogen_Bond_Donor_Count	2
25116186	Isotope_Atom_Count	0
12103	Mono_Isotopic_Weight	159.9846556
689784	Covalent_Unit_Count	1
16058	TPSA	62
10399	Undefined_Atom_Stereo_Count	0
53346602	Rotatable_Bond_Count	2
216235	Undefined_Bond_Stereo_Count	0
6183357	Tautomer_Count	1001
117846599	Total_Formal_Charge	0
143588	Total_Formal_Charge	0
80782	Hydrogen_Bond_Acceptor_Count	2
21618	Molecular_Weight	104.10
160332	Defined_Atom_Stereo_Count	0
77129	Defined_Atom_Stereo_Count	0
6427102	Molecular_Weight	196.29
84339	Rotatable_Bond_Count	2
22753607	Rotatable_Bond_Count	1
13922	Defined_Bond_Stereo_Count	0
3744783	Undefined_Bond_Stereo_Count	0
6680	Defined_Atom_Stereo_Count	0
12777	Undefined_Atom_Stereo_Count	1
12444324	Exact_Mass	136.125200510
54081	Rotatable_Bond_Count	12
122797	Defined_Atom_Stereo_Count	4
57394598	XLogP3-AA	4.4
68551	Hydrogen_Bond_Donor_Count	1
57782	Hydrogen_Bond_Acceptor_Count	4
347475	Total_Formal_Charge	0
68289914	Isotope_Atom_Count	0
25078013	Defined_Atom_Stereo_Count	0
52766	Exact_Mass	274.11398438
9863	Structure_Complexity	10
70734	Non-hydrogen_Atom_Count	9
23430	Non-hydrogen_Atom_Count	32
6273	Hydrogen_Bond_Donor_Count	0
5352435	Total_Formal_Charge	0
20200448	Total_Formal_Charge	0
180494	Rotatable_Bond_Count	2
16134409	Isotope_Atom_Count	0
10342	Undefined_Bond_Stereo_Count	0
23675947	Rotatable_Bond_Count	5
129774195	Total_Formal_Charge	0
7853	Isotope_Atom_Count	0
9075	Structure_Complexity	65
5388962	Mono_Isotopic_Weight	376.19982200
9919942	Hydrogen_Bond_Acceptor_Count	19
53320444	Defined_Atom_Stereo_Count	0
11094587	Defined_Atom_Stereo_Count	0
65111	Covalent_Unit_Count	1
49867936	Exact_Mass	516.0873659
169	Undefined_Atom_Stereo_Count	2
10199	Structure_Complexity	155
171227	Hydrogen_Bond_Acceptor_Count	1
8996	Structure_Complexity	343
121135	Total_Formal_Charge	0
136183442	Hydrogen_Bond_Donor_Count	4
2733832	Mono_Isotopic_Weight	167.11378108
10465793	Rotatable_Bond_Count	2
159871	Exact_Mass	314.0491912
139758	Covalent_Unit_Count	1
13587	Hydrogen_Bond_Donor_Count	0
65819	XLogP3-AA	1.3
119096	XLogP3	2
11124	Structure_Complexity	49.5
439778	Mono_Isotopic_Weight	84.021129366
150899	Undefined_Atom_Stereo_Count	0
2733928	Structure_Complexity	219
77077	Defined_Atom_Stereo_Count	0
10411334	Rotatable_Bond_Count	7
7928	Isotope_Atom_Count	0
10311	Rotatable_Bond_Count	4
151129985	Hydrogen_Bond_Acceptor_Count	3
10186986	Exact_Mass	535.21072103
208952	Exact_Mass	431.0960588
8698	XLogP3	3.8
66615705	Exact_Mass	508.1695764
143714846	Covalent_Unit_Count	1
104902	Exact_Mass	720.40329008
185992	Covalent_Unit_Count	1
825877	Defined_Bond_Stereo_Count	0
8069	Covalent_Unit_Count	1
2724290	Hydrogen_Bond_Donor_Count	2
10953595	Hydrogen_Bond_Donor_Count	0
96004	Isotope_Atom_Count	0
79069	Non-hydrogen_Atom_Count	8
20690429	Molecular_Weight	469.6
2763214	Defined_Atom_Stereo_Count	0
1450	XLogP3	2.8
21879940	Molecular_Weight	214.35
5702162	Structure_Complexity	303
10991161	Undefined_Atom_Stereo_Count	0
58031952	Defined_Bond_Stereo_Count	0
721137	Covalent_Unit_Count	1
155448	TPSA	99.4
4219136	Total_Formal_Charge	0
71215	Non-hydrogen_Atom_Count	25
23663964	Isotope_Atom_Count	0
72145	TPSA	111
19816560	Undefined_Atom_Stereo_Count	1
4808	XLogP3-AA	7.4
21248212	Undefined_Atom_Stereo_Count	0
3965	Defined_Atom_Stereo_Count	0
135426867	Mono_Isotopic_Weight	165.06505986
138493	Defined_Atom_Stereo_Count	0
23702994	Molecular_Weight	719.7
5353985	Hydrogen_Bond_Acceptor_Count	11
71450115	Mono_Isotopic_Weight	583.16818
9983292	Undefined_Atom_Stereo_Count	0
166744	Rotatable_Bond_Count	11
161830	Mono_Isotopic_Weight	266.85305
21576	Tautomer_Count	8
3793	Structure_Complexity	1120
644213	Total_Formal_Charge	0
129801132	Molecular_Weight	138.09
4583497	Hydrogen_Bond_Acceptor_Count	2
52946545	Defined_Atom_Stereo_Count	1
64709	Structure_Complexity	905
4198	Hydrogen_Bond_Acceptor_Count	4
17174	Hydrogen_Bond_Donor_Count	0
135539077	Undefined_Atom_Stereo_Count	0
116841780	Non-hydrogen_Atom_Count	8
14930278	Isotope_Atom_Count	0
155290	Undefined_Bond_Stereo_Count	0
637796	XLogP3	3.1
371715	Rotatable_Bond_Count	1
9915813	Defined_Bond_Stereo_Count	0
45190	Total_Formal_Charge	0
86336697	Rotatable_Bond_Count	1
24582	Undefined_Bond_Stereo_Count	0
10011883	Isotope_Atom_Count	0
17171354	Exact_Mass	114.079312947
6419928	Rotatable_Bond_Count	4
3047822	Total_Formal_Charge	0
838267	XLogP3-AA	3.3
20499147	Defined_Bond_Stereo_Count	0
5283134	Exact_Mass	625.30330126
71450115	Hydrogen_Bond_Donor_Count	2
11423559	Tautomer_Count	1
6708	Covalent_Unit_Count	1
75151	Structure_Complexity	29
16219744	Exact_Mass	252.0165308
46213929	Defined_Atom_Stereo_Count	0
51041322	Isotope_Atom_Count	5
734373	TPSA	96.2
390049	Mono_Isotopic_Weight	418.14163842
969108	Undefined_Bond_Stereo_Count	0
85760873	Structure_Complexity	118
11042360	Non-hydrogen_Atom_Count	14
16767378	Molecular_Weight	182.19
5351197	Undefined_Bond_Stereo_Count	0
102242	Non-hydrogen_Atom_Count	22
11954292	Mono_Isotopic_Weight	856.46898685
873	TPSA	57.5
19089767	Undefined_Bond_Stereo_Count	0
132035918	Hydrogen_Bond_Donor_Count	4
14288779	Defined_Bond_Stereo_Count	0
96160	Defined_Bond_Stereo_Count	0
68476	Tautomer_Count	3
79037	Mono_Isotopic_Weight	125.120449483
22020761	Exact_Mass	116.083729621
11398	Rotatable_Bond_Count	2
19044091	Hydrogen_Bond_Donor_Count	3
382	Isotope_Atom_Count	0
57483323	Undefined_Atom_Stereo_Count	1
12672	Undefined_Atom_Stereo_Count	0
1071	Undefined_Atom_Stereo_Count	0
34850	Undefined_Bond_Stereo_Count	0
44324941	Undefined_Atom_Stereo_Count	0
2608576	Total_Formal_Charge	0
5763	Molecular_Weight	347.9
54095609	Defined_Bond_Stereo_Count	0
2724588	Undefined_Bond_Stereo_Count	0
14511	Undefined_Atom_Stereo_Count	0
12453880	Undefined_Bond_Stereo_Count	0
10485	Hydrogen_Bond_Donor_Count	0
4912932	Structure_Complexity	127
24869	Exact_Mass	112.052429494
25563891	Undefined_Bond_Stereo_Count	0
711468	Non-hydrogen_Atom_Count	17
65844	Undefined_Atom_Stereo_Count	1
59295926	TPSA	87.6
21863610	Structure_Complexity	88.7
95125	Rotatable_Bond_Count	4
29756	Undefined_Bond_Stereo_Count	0
30489	Hydrogen_Bond_Acceptor_Count	1
21520336	Molecular_Weight	309.62
358	Undefined_Bond_Stereo_Count	0
18798586	Rotatable_Bond_Count	2
58221868	Undefined_Bond_Stereo_Count	0
351917	Isotope_Atom_Count	0
66684386	Molecular_Weight	349.4
44134949	Non-hydrogen_Atom_Count	95
10839	Mono_Isotopic_Weight	359.24604391
154103	Hydrogen_Bond_Acceptor_Count	5
10895	Non-hydrogen_Atom_Count	9
3349	Isotope_Atom_Count	0
5068775	Mono_Isotopic_Weight	100.100048391
75562	Rotatable_Bond_Count	0
7155	Structure_Complexity	242
119182	Mono_Isotopic_Weight	303.0534451
5071450	Tautomer_Count	2
61008	Defined_Atom_Stereo_Count	0
54392998	Isotope_Atom_Count	0
101543	Hydrogen_Bond_Donor_Count	5
37993	Undefined_Atom_Stereo_Count	0
166918	Exact_Mass	264.910451
69849	Undefined_Bond_Stereo_Count	0
1041	Molecular_Weight	390.07
6992041	Exact_Mass	278.96977556
46173707	Defined_Atom_Stereo_Count	15
85859507	Mono_Isotopic_Weight	115.063328530
177708	Covalent_Unit_Count	1
10258195	Exact_Mass	611.25260310
88447703	Undefined_Atom_Stereo_Count	0
12847948	Structure_Complexity	83.7
11689	Tautomer_Count	5
93147	Hydrogen_Bond_Acceptor_Count	2
16051997	Defined_Bond_Stereo_Count	0
449107	Mono_Isotopic_Weight	531.30970680
6828	Mono_Isotopic_Weight	268.157563266
645691	Undefined_Atom_Stereo_Count	0
816	Structure_Complexity	639
53326156	Defined_Bond_Stereo_Count	0
11689	Exact_Mass	489.88745
1110	TPSA	74.6
120738	Exact_Mass	261.172878976
13974331	Exact_Mass	112.052429494
15516956	Total_Formal_Charge	0
21547708	Defined_Bond_Stereo_Count	0
57121306	Defined_Bond_Stereo_Count	0
19979685	Exact_Mass	112.063662883
136219154	Total_Formal_Charge	0
84614	Hydrogen_Bond_Acceptor_Count	4
3420996	Exact_Mass	184.182715385
135492976	Covalent_Unit_Count	1
8268	Hydrogen_Bond_Acceptor_Count	1
54584750	TPSA	130
199402	Exact_Mass	1202.74992724
89518758	Exact_Mass	342.11621151
67108485	TPSA	21.3
671	Undefined_Bond_Stereo_Count	0
20056625	Undefined_Atom_Stereo_Count	0
67500	Exact_Mass	135.01427034
51464	XLogP3	6.5
7301	Isotope_Atom_Count	0
11395145	Rotatable_Bond_Count	7
2650	Non-hydrogen_Atom_Count	37
601898	Non-hydrogen_Atom_Count	18
534055	Hydrogen_Bond_Donor_Count	1
21930930	Exact_Mass	108.032362755
90431674	Hydrogen_Bond_Donor_Count	1
47318	Defined_Atom_Stereo_Count	0
65217	Non-hydrogen_Atom_Count	27
46937020	TPSA	186
6399027	TPSA	58.9
66558664	Isotope_Atom_Count	0
7156899	Total_Formal_Charge	0
12814873	Structure_Complexity	415
58823276	Exact_Mass	360.137496527
143392159	Undefined_Bond_Stereo_Count	0
15367	Mono_Isotopic_Weight	102.05032149
54012932	Exact_Mass	172.109944368
71336	Exact_Mass	436.26269704
70686982	Rotatable_Bond_Count	6
14711688	Non-hydrogen_Atom_Count	8
243415	Defined_Bond_Stereo_Count	0
124846	Total_Formal_Charge	0
194	Undefined_Bond_Stereo_Count	0
57716	Defined_Bond_Stereo_Count	0
151170	Isotope_Atom_Count	0
12401	Structure_Complexity	123
11547499	Defined_Atom_Stereo_Count	1
135988	Undefined_Atom_Stereo_Count	0
3921152	Defined_Atom_Stereo_Count	0
201538	Rotatable_Bond_Count	15
17963183	Total_Formal_Charge	0
141120290	Exact_Mass	110.011627311
123097	Exact_Mass	79.0532269373
56663315	Undefined_Atom_Stereo_Count	0
9396	Hydrogen_Bond_Donor_Count	0
63958	Defined_Bond_Stereo_Count	0
12000240	Rotatable_Bond_Count	11
183	Undefined_Bond_Stereo_Count	10
280	Isotope_Atom_Count	0
1712095	Defined_Atom_Stereo_Count	0
56162	Defined_Bond_Stereo_Count	0
71905	Non-hydrogen_Atom_Count	19
12749	Mono_Isotopic_Weight	82.053098200
10777574	Hydrogen_Bond_Acceptor_Count	3
5497174	Hydrogen_Bond_Donor_Count	3
16642494	Defined_Atom_Stereo_Count	0
90727	Defined_Atom_Stereo_Count	0
138844	Hydrogen_Bond_Donor_Count	1
5320547	Covalent_Unit_Count	1
142647132	Hydrogen_Bond_Acceptor_Count	3
54691185	XLogP3-AA	0.9
69332685	Covalent_Unit_Count	1
5362115	Structure_Complexity	649
7021156	Undefined_Atom_Stereo_Count	0
24243	Undefined_Bond_Stereo_Count	0
64017	TPSA	112
694856	Rotatable_Bond_Count	1
9981404	Hydrogen_Bond_Acceptor_Count	7
70699	Rotatable_Bond_Count	0
893947	Exact_Mass	253.0669699
9796590	Molecular_Weight	307.3
401	Rotatable_Bond_Count	0
5282451	Defined_Atom_Stereo_Count	4
4619	Undefined_Atom_Stereo_Count	0
166653	Structure_Complexity	0
85252	Rotatable_Bond_Count	4
146779553	Undefined_Bond_Stereo_Count	0
68385	Undefined_Atom_Stereo_Count	0
88318	Total_Formal_Charge	0
70807	Covalent_Unit_Count	1
18730066	XLogP3-AA	2.7
8732	Rotatable_Bond_Count	4
21594228	Molecular_Weight	532.7
403821	Undefined_Atom_Stereo_Count	1
117266253	Defined_Bond_Stereo_Count	0
19871	Covalent_Unit_Count	1
11217523	Hydrogen_Bond_Acceptor_Count	2
5284341	TPSA	26
67016	Defined_Atom_Stereo_Count	0
88398	XLogP3-AA	1.1
40468	Defined_Bond_Stereo_Count	0
55472	Structure_Complexity	487
23675312	Total_Formal_Charge	0
54077736	Defined_Atom_Stereo_Count	0
85904477	Isotope_Atom_Count	0
11040652	Hydrogen_Bond_Donor_Count	0
59792626	Structure_Complexity	19.2
519726	Hydrogen_Bond_Acceptor_Count	2
91298647	Defined_Atom_Stereo_Count	0
23668817	Tautomer_Count	1
92277	Undefined_Bond_Stereo_Count	0
5288527	Total_Formal_Charge	0
83975	Structure_Complexity	639
54300272	Mono_Isotopic_Weight	101.084063974
104748	Hydrogen_Bond_Acceptor_Count	4
74236	Hydrogen_Bond_Donor_Count	0
665063	Covalent_Unit_Count	1
87349895	Molecular_Weight	419.7
67631	Defined_Atom_Stereo_Count	0
104955	Tautomer_Count	1
54676884	Defined_Atom_Stereo_Count	0
135398593	Exact_Mass	252.08585488
22015	Hydrogen_Bond_Donor_Count	0
26093	Structure_Complexity	361
146050491	Structure_Complexity	2830
35768	Hydrogen_Bond_Acceptor_Count	0
659840	Total_Formal_Charge	0
98648	Defined_Atom_Stereo_Count	0
7185	Structure_Complexity	349
164084939	Isotope_Atom_Count	0
88211	Tautomer_Count	1
69280558	Defined_Atom_Stereo_Count	0
165363121	Mono_Isotopic_Weight	273.0781231
2588	Structure_Complexity	1070
142773668	Rotatable_Bond_Count	0
2423	Undefined_Atom_Stereo_Count	2
22015260	Hydrogen_Bond_Donor_Count	0
23114997	Hydrogen_Bond_Acceptor_Count	1
135854412	Undefined_Bond_Stereo_Count	0
71301229	Molecular_Weight	754.6
10007	Undefined_Bond_Stereo_Count	0
160332	XLogP3-AA	5.6
85595	Undefined_Atom_Stereo_Count	0
15926139	Defined_Bond_Stereo_Count	0
71713948	Hydrogen_Bond_Donor_Count	2
72155	Hydrogen_Bond_Donor_Count	0
47151	Molecular_Weight	204.5
517441	Total_Formal_Charge	0
2430	Covalent_Unit_Count	1
3852430	Undefined_Atom_Stereo_Count	0
46898058	TPSA	108
62738	Isotope_Atom_Count	0
67683363	Total_Formal_Charge	0
58158	Undefined_Atom_Stereo_Count	1
57519510	Defined_Bond_Stereo_Count	0
9826358	Defined_Atom_Stereo_Count	7
398738	Defined_Atom_Stereo_Count	0
2442	Isotope_Atom_Count	0
3084101	Mono_Isotopic_Weight	309.714777
5475462	Non-hydrogen_Atom_Count	11
64423	Mono_Isotopic_Weight	320.1655411
14184222	Rotatable_Bond_Count	2
124946	Molecular_Weight	438.4
53884785	TPSA	38.7
73801102	Isotope_Atom_Count	0
24191118	Exact_Mass	296.939948
86063	Non-hydrogen_Atom_Count	13
158782	Undefined_Atom_Stereo_Count	0
5362115	Undefined_Bond_Stereo_Count	0
27926	Isotope_Atom_Count	0
66335	Covalent_Unit_Count	1
85821	Mono_Isotopic_Weight	296.225248902
17818	Covalent_Unit_Count	1
6437377	Hydrogen_Bond_Acceptor_Count	8
7405	Defined_Bond_Stereo_Count	0
30292	Total_Formal_Charge	0
32266	Structure_Complexity	477
4604	TPSA	108
21737	Isotope_Atom_Count	0
9903410	Hydrogen_Bond_Acceptor_Count	4
53384896	Undefined_Atom_Stereo_Count	13
8908	Defined_Bond_Stereo_Count	0
53321470	Rotatable_Bond_Count	6
56841628	TPSA	170
638071	Isotope_Atom_Count	0
3048	XLogP3-AA	3.7
704316	Structure_Complexity	631
10345790	Total_Formal_Charge	0
41097873	Rotatable_Bond_Count	0
11251522	Undefined_Bond_Stereo_Count	0
76883	Undefined_Bond_Stereo_Count	0
24561	Hydrogen_Bond_Donor_Count	0
5460482	Structure_Complexity	90.4
717	Hydrogen_Bond_Acceptor_Count	9
6918486	Tautomer_Count	1001
429456	Undefined_Bond_Stereo_Count	0
25849	Exact_Mass	275.224914549
12213589	Rotatable_Bond_Count	3
580057	Rotatable_Bond_Count	2
163659	Tautomer_Count	700
10141	Hydrogen_Bond_Donor_Count	2
57461868	Mono_Isotopic_Weight	107.048347172
183812	Structure_Complexity	649
609	Total_Formal_Charge	0
119085356	Covalent_Unit_Count	1
88800	Hydrogen_Bond_Acceptor_Count	3
45086609	Non-hydrogen_Atom_Count	10
46231556	Defined_Atom_Stereo_Count	0
1470719	Total_Formal_Charge	0
9571009	Total_Formal_Charge	0
4712721	Hydrogen_Bond_Acceptor_Count	3
12328	Hydrogen_Bond_Donor_Count	1
11286453	Structure_Complexity	104
7618	Molecular_Weight	149.19
188987	Defined_Atom_Stereo_Count	0
141169622	Mono_Isotopic_Weight	101.047678466
112932	Isotope_Atom_Count	0
43905	Molecular_Weight	291.27
5326960	Isotope_Atom_Count	0
136796	Mono_Isotopic_Weight	130.078250319
6850837	Hydrogen_Bond_Donor_Count	2
5484438	Tautomer_Count	3
409747	Structure_Complexity	61.2
124201874	TPSA	155
54173442	Undefined_Atom_Stereo_Count	0
30072	Isotope_Atom_Count	0
61631	Non-hydrogen_Atom_Count	12
19266	Structure_Complexity	207
6419930	XLogP3	0.6
135413538	TPSA	124
137895	Defined_Atom_Stereo_Count	0
12835056	Total_Formal_Charge	0
89646	Isotope_Atom_Count	0
498716	Exact_Mass	40.0358543
7756	Molecular_Weight	115.17
235970	Mono_Isotopic_Weight	434.1496163
9737	Undefined_Atom_Stereo_Count	0
20568258	Total_Formal_Charge	0
71721420	Rotatable_Bond_Count	1
135618542	TPSA	299
40652	TPSA	65.1
126997316	Hydrogen_Bond_Acceptor_Count	2
98497	XLogP3-AA	1.9
10098504	Structure_Complexity	951
595	Hydrogen_Bond_Donor_Count	4
166734	Total_Formal_Charge	0
456410	Non-hydrogen_Atom_Count	20
393601	Structure_Complexity	778
72775170	Hydrogen_Bond_Acceptor_Count	2
6857664	Mono_Isotopic_Weight	42.009222013
4426	Exact_Mass	445.20015635
101835694	Isotope_Atom_Count	0
33068	Exact_Mass	360.80944
5238	Structure_Complexity	2
56670167	Rotatable_Bond_Count	4
104975	XLogP3-AA	2.6
86354	Exact_Mass	333.1607901
123914282	Covalent_Unit_Count	1
89116579	Non-hydrogen_Atom_Count	8
5804	Covalent_Unit_Count	1
71342	Tautomer_Count	5
135539121	Isotope_Atom_Count	0
182429	Total_Formal_Charge	0
561657	Defined_Atom_Stereo_Count	0
4820	Covalent_Unit_Count	1
106824195	Undefined_Bond_Stereo_Count	0
137602	Hydrogen_Bond_Acceptor_Count	0
522007	XLogP3-AA	1.8
630689	Isotope_Atom_Count	0
21817601	Isotope_Atom_Count	0
25273647	Covalent_Unit_Count	1
5287958	Covalent_Unit_Count	1
23675349	Mono_Isotopic_Weight	264.09084324
67066652	Molecular_Weight	116.11
7567277	Non-hydrogen_Atom_Count	11
135398698	Non-hydrogen_Atom_Count	16
6434144	Covalent_Unit_Count	2
10453870	Undefined_Bond_Stereo_Count	0
47471	Total_Formal_Charge	0
398652	Molecular_Weight	429.5
10991161	Isotope_Atom_Count	0
129769827	Exact_Mass	84.068748264
72199624	Structure_Complexity	642
21930924	Mono_Isotopic_Weight	370.02294
7093102	TPSA	9.2
86761	Defined_Bond_Stereo_Count	0
37464	Undefined_Bond_Stereo_Count	0
5280784	Covalent_Unit_Count	1
2318095	Isotope_Atom_Count	0
75345	Defined_Bond_Stereo_Count	0
56777521	Total_Formal_Charge	0
6951315	Hydrogen_Bond_Donor_Count	0
35367	Mono_Isotopic_Weight	112.125200510
24900813	XLogP3-AA	3
188802	Covalent_Unit_Count	2
135113	Total_Formal_Charge	0
82752	Hydrogen_Bond_Donor_Count	0
35949	Non-hydrogen_Atom_Count	28
54605501	Isotope_Atom_Count	0
21443942	Structure_Complexity	68.3
57123584	Mono_Isotopic_Weight	113.047678466
4736391	Exact_Mass	98.048012819
97842	Isotope_Atom_Count	0
12097375	Undefined_Atom_Stereo_Count	1
89716251	Exact_Mass	113.084063974
67711	Defined_Atom_Stereo_Count	0
6598	Undefined_Atom_Stereo_Count	0
13134933	Undefined_Atom_Stereo_Count	0
5464344	Hydrogen_Bond_Acceptor_Count	7
135247704	Exact_Mass	115.063328530
4194	Undefined_Bond_Stereo_Count	2
7115	TPSA	0
917192	Undefined_Atom_Stereo_Count	0
709	Exact_Mass	194.05790880
23378923	XLogP3-AA	0.8
6064	Hydrogen_Bond_Donor_Count	2
76538949	Mono_Isotopic_Weight	102.079312947
96380	Defined_Atom_Stereo_Count	0
3035668	Rotatable_Bond_Count	1
4692287	Isotope_Atom_Count	0
71245288	Molecular_Weight	445.5
448126	Defined_Atom_Stereo_Count	3
15174357	Covalent_Unit_Count	1
21932803	Mono_Isotopic_Weight	121.03884512
71453775	Non-hydrogen_Atom_Count	33
60602	Undefined_Atom_Stereo_Count	0
216712	Mono_Isotopic_Weight	332.03929861
129662986	Defined_Bond_Stereo_Count	0
49867936	Hydrogen_Bond_Acceptor_Count	9
21881641	Exact_Mass	811.47314329
7768	Isotope_Atom_Count	0
8899	Exact_Mass	243.219829168
85867	TPSA	90.8
11372270	Undefined_Atom_Stereo_Count	0
58630	Undefined_Bond_Stereo_Count	0
968081	Isotope_Atom_Count	0
11597697	Rotatable_Bond_Count	8
9753	Defined_Bond_Stereo_Count	0
2469	Defined_Atom_Stereo_Count	0
335	TPSA	20.2
197740	Structure_Complexity	284
60060441	Defined_Atom_Stereo_Count	0
12278591	Defined_Atom_Stereo_Count	0
58618581	Non-hydrogen_Atom_Count	12
10214379	XLogP3-AA	0.4
57394212	Non-hydrogen_Atom_Count	30
32443	Structure_Complexity	253
5284506	Non-hydrogen_Atom_Count	13
53565	Total_Formal_Charge	0
69685	TPSA	45.5
45257	Mono_Isotopic_Weight	291.18344366
216262	Structure_Complexity	643
72200931	Isotope_Atom_Count	0
49869312	TPSA	63.6
133635911	Total_Formal_Charge	0
568334	Hydrogen_Bond_Acceptor_Count	2
54169147	Undefined_Atom_Stereo_Count	0
2443	Non-hydrogen_Atom_Count	43
21791020	Structure_Complexity	77.7
57735	Undefined_Bond_Stereo_Count	0
25904	XLogP3-AA	4.6
23385063	Non-hydrogen_Atom_Count	8
95434	Exact_Mass	114.104465066
42040	Total_Formal_Charge	0
66793	Hydrogen_Bond_Acceptor_Count	4
3034393	Hydrogen_Bond_Donor_Count	2
433	Undefined_Atom_Stereo_Count	1
17691	Isotope_Atom_Count	0
56841939	Total_Formal_Charge	0
6537431	Hydrogen_Bond_Donor_Count	3
1069	Total_Formal_Charge	0
77241	Rotatable_Bond_Count	3
72943	Covalent_Unit_Count	1
17748670	Hydrogen_Bond_Donor_Count	24
6604816	Defined_Atom_Stereo_Count	12
14373	Rotatable_Bond_Count	5
54158	Defined_Atom_Stereo_Count	0
71824	Molecular_Weight	128.22
90425973	Hydrogen_Bond_Donor_Count	1
965784	Hydrogen_Bond_Acceptor_Count	3
543562	Structure_Complexity	98.3
3141	TPSA	72.7
141343693	Mono_Isotopic_Weight	113.084063974
14923878	TPSA	0
15664	TPSA	25.8
58197	Total_Formal_Charge	0
15122661	Undefined_Atom_Stereo_Count	1
103439594	Undefined_Atom_Stereo_Count	0
129674572	Covalent_Unit_Count	1
816	Isotope_Atom_Count	0
13189	TPSA	0
13740445	Molecular_Weight	97.12
36255	Mono_Isotopic_Weight	545.92082
124823	Defined_Bond_Stereo_Count	0
90258	TPSA	82.8
638793	Exact_Mass	1181.57302551
20342	Undefined_Atom_Stereo_Count	1
104741	TPSA	76.7
8863	Hydrogen_Bond_Acceptor_Count	3
3042	Hydrogen_Bond_Donor_Count	0
10885665	Undefined_Bond_Stereo_Count	0
222199	TPSA	36.9
30844	XLogP3-AA	3.1
53846419	Non-hydrogen_Atom_Count	30
11263471	Covalent_Unit_Count	1
523251	Undefined_Atom_Stereo_Count	0
132469488	Undefined_Atom_Stereo_Count	9
11442891	Hydrogen_Bond_Acceptor_Count	6
23675796	Exact_Mass	295.99666808
9570438	Undefined_Bond_Stereo_Count	0
57286	Structure_Complexity	305
85335	Isotope_Atom_Count	0
71454287	Hydrogen_Bond_Donor_Count	2
21325324	TPSA	23.2
6371710	XLogP3-AA	1.7
84339	Defined_Bond_Stereo_Count	0
439570	Tautomer_Count	5
822315	Mono_Isotopic_Weight	272.11206962
59648985	TPSA	23.8
9892815	Undefined_Atom_Stereo_Count	0
195	Isotope_Atom_Count	0
131750179	Molecular_Weight	1109.3
6913588	Structure_Complexity	177
7475	Isotope_Atom_Count	0
513956	XLogP3-AA	4.7
17831	Defined_Bond_Stereo_Count	0
28950993	Non-hydrogen_Atom_Count	7
653473	Total_Formal_Charge	0
20325315	Total_Formal_Charge	0
4323	Rotatable_Bond_Count	10
101001097	Structure_Complexity	770
12729	Mono_Isotopic_Weight	212.177630004
11317883	Molecular_Weight	493.5
5353627	Structure_Complexity	590
153722581	Non-hydrogen_Atom_Count	6
265810	Defined_Atom_Stereo_Count	0
10698	Covalent_Unit_Count	1
12787246	Isotope_Atom_Count	0
34332	Hydrogen_Bond_Donor_Count	0
11328	Structure_Complexity	150
650960	Exact_Mass	458.24302422
34060	Rotatable_Bond_Count	6
60196270	Undefined_Atom_Stereo_Count	0
8857	Structure_Complexity	49.5
26129	Undefined_Atom_Stereo_Count	0
133109198	Mono_Isotopic_Weight	748.50852574
5280373	Total_Formal_Charge	0
4617	Structure_Complexity	468
112030	Total_Formal_Charge	0
9643	Defined_Bond_Stereo_Count	0
2743	Hydrogen_Bond_Donor_Count	1
8862	Structure_Complexity	66.9
30590	Undefined_Atom_Stereo_Count	0
143562	Total_Formal_Charge	0
67975127	Undefined_Bond_Stereo_Count	0
21353681	Covalent_Unit_Count	1
107760	Non-hydrogen_Atom_Count	31
7742	XLogP3	1.1
4103	Covalent_Unit_Count	1
824784	XLogP3-AA	4.5
54003766	Isotope_Atom_Count	0
347402	Isotope_Atom_Count	0
71533242	Mono_Isotopic_Weight	466.14751164
166534	Hydrogen_Bond_Acceptor_Count	6
8342	Covalent_Unit_Count	1
119097769	Defined_Atom_Stereo_Count	0
5916968	Rotatable_Bond_Count	13
282752	Total_Formal_Charge	0
4418048	Structure_Complexity	93.1
5281899	Isotope_Atom_Count	0
19896519	Defined_Atom_Stereo_Count	0
70662473	Rotatable_Bond_Count	16
5358	Hydrogen_Bond_Donor_Count	2
2443	Molecular_Weight	654.6
42580057	Undefined_Bond_Stereo_Count	0
5362858	Exact_Mass	101.084063974
13528	Hydrogen_Bond_Acceptor_Count	1
12309465	Exact_Mass	405.813931
151	Exact_Mass	314.05151706
129626607	Non-hydrogen_Atom_Count	14
10767	Hydrogen_Bond_Donor_Count	0
5236	Mono_Isotopic_Weight	77.00388246
1111	Non-hydrogen_Atom_Count	55
3036154	Non-hydrogen_Atom_Count	60
126963444	TPSA	356
11737	Isotope_Atom_Count	0
118701038	Rotatable_Bond_Count	0
566069	Defined_Bond_Stereo_Count	0
76956848	Total_Formal_Charge	0
12550	Undefined_Bond_Stereo_Count	0
11417954	Isotope_Atom_Count	0
59653	Covalent_Unit_Count	1
56840904	Non-hydrogen_Atom_Count	29
11852	Defined_Bond_Stereo_Count	0
94190	Undefined_Atom_Stereo_Count	0
3970	Covalent_Unit_Count	1
85976378	Undefined_Atom_Stereo_Count	2
66354	Mono_Isotopic_Weight	83.048347172
9883002	Tautomer_Count	1
418745	Molecular_Weight	134.14
155290	Hydrogen_Bond_Acceptor_Count	2
11607904	Undefined_Atom_Stereo_Count	0
135425186	Rotatable_Bond_Count	2
19375004	Structure_Complexity	67.4
44395101	Covalent_Unit_Count	1
6432434	Mono_Isotopic_Weight	332.23514488
107949	Total_Formal_Charge	0
24181110	Total_Formal_Charge	0
18699327	Isotope_Atom_Count	0
25023853	Defined_Bond_Stereo_Count	0
72038	Molecular_Weight	295.4
124744578	Molecular_Weight	843.1
56972198	Mono_Isotopic_Weight	282.0690539
5334356	Structure_Complexity	360
9868037	Rotatable_Bond_Count	6
5667	Rotatable_Bond_Count	10
9889168	Hydrogen_Bond_Donor_Count	0
79089	Mono_Isotopic_Weight	112.03467143
71894	Defined_Atom_Stereo_Count	0
66062	Molecular_Weight	407.0
9811611	Rotatable_Bond_Count	10
24247	XLogP3-AA	2.3
664126	Molecular_Weight	323.5
23685849	Rotatable_Bond_Count	7
118210659	Undefined_Atom_Stereo_Count	0
98651	Rotatable_Bond_Count	3
136513	Defined_Bond_Stereo_Count	0
225688	Undefined_Bond_Stereo_Count	0
13574480	Isotope_Atom_Count	0
6917698	Exact_Mass	465.1830623
16682828	Undefined_Atom_Stereo_Count	0
29109	Non-hydrogen_Atom_Count	1
23519852	Covalent_Unit_Count	1
153665501	Molecular_Weight	108.18
462919	Defined_Atom_Stereo_Count	0
703128	Exact_Mass	287.15214353
51763	Undefined_Bond_Stereo_Count	0
53825857	Structure_Complexity	68.5
528405	Rotatable_Bond_Count	1
1211493	Hydrogen_Bond_Acceptor_Count	3
50980	Hydrogen_Bond_Acceptor_Count	7
100380	Defined_Atom_Stereo_Count	0
70690637	Molecular_Weight	415.4
62672	Non-hydrogen_Atom_Count	10
45357473	Hydrogen_Bond_Donor_Count	0
154392753	Undefined_Atom_Stereo_Count	0
10942334	Rotatable_Bond_Count	0
68511084	Isotope_Atom_Count	0
460516	Mono_Isotopic_Weight	244.08076950
8390	Hydrogen_Bond_Donor_Count	1
38307	Structure_Complexity	87.2
92851	Defined_Atom_Stereo_Count	1
98452	Exact_Mass	116.047344113
9536	Non-hydrogen_Atom_Count	12
57721	Rotatable_Bond_Count	13
126969014	TPSA	132
88142236	Covalent_Unit_Count	1
10636633	Exact_Mass	282.10381361
5336	Defined_Bond_Stereo_Count	0
67736	Tautomer_Count	1
39860	Structure_Complexity	524
3048356	Undefined_Atom_Stereo_Count	0
13283	Undefined_Bond_Stereo_Count	0
249778	Defined_Atom_Stereo_Count	0
5890	TPSA	415
19608838	TPSA	41.6
101731271	Exact_Mass	97.089149355
9915861	Non-hydrogen_Atom_Count	41
5460822	Undefined_Bond_Stereo_Count	0
859174	Total_Formal_Charge	0
228430	Undefined_Bond_Stereo_Count	0
157688	Hydrogen_Bond_Acceptor_Count	13
135400456	Undefined_Bond_Stereo_Count	0
6603945	Molecular_Weight	220.25
483	Structure_Complexity	428
3080653	Molecular_Weight	1036.1
23677058	Covalent_Unit_Count	2
123133923	TPSA	70.1
2762919	Rotatable_Bond_Count	0
2734237	Defined_Atom_Stereo_Count	0
22525209	Exact_Mass	811.47314329
7859	Exact_Mass	56.026214747
29656	XLogP3-AA	1.7
9983292	Isotope_Atom_Count	0
6435507	Covalent_Unit_Count	1
89886	Exact_Mass	572.13804064
12576851	XLogP3-AA	0.4
5497143	Hydrogen_Bond_Acceptor_Count	22
53898601	Hydrogen_Bond_Acceptor_Count	2
59882246	XLogP3-AA	0.2
448875	Defined_Bond_Stereo_Count	0
191510	Hydrogen_Bond_Acceptor_Count	2
160440	Tautomer_Count	1
22015942	Covalent_Unit_Count	1
12967	TPSA	75.8
7838	Non-hydrogen_Atom_Count	8
2350	TPSA	62.7
42993	Undefined_Bond_Stereo_Count	0
6431771	Exact_Mass	343.12970781
14022511	Molecular_Weight	275.33
5189	TPSA	112
586156	XLogP3-AA	0.1
10390836	Defined_Atom_Stereo_Count	0
46883936	Undefined_Bond_Stereo_Count	0
4643	Total_Formal_Charge	1
67711	Hydrogen_Bond_Acceptor_Count	2
1397	Exact_Mass	658.55362546
534258	Exact_Mass	100.088815002
132367	Covalent_Unit_Count	1
135618150	Tautomer_Count	9
447360	Exact_Mass	436.0430605
15257	Defined_Atom_Stereo_Count	0
12599704	Exact_Mass	102.068079557
5362123	Structure_Complexity	619
1533	XLogP3	0.6
16050641	TPSA	77.2
51683431	Exact_Mass	342.11621151
13785328	Hydrogen_Bond_Acceptor_Count	5
24848402	Non-hydrogen_Atom_Count	21
40467346	XLogP3-AA	5.7
55472	Total_Formal_Charge	0
13107533	Molecular_Weight	102.13
10638446	Hydrogen_Bond_Donor_Count	0
11693521	Exact_Mass	811.47314329
51605	Undefined_Atom_Stereo_Count	0
71719928	Rotatable_Bond_Count	18
6950248	Total_Formal_Charge	0
11007859	Defined_Atom_Stereo_Count	0
7959	Structure_Complexity	108
67409219	XLogP3-AA	4.1
584645	Exact_Mass	302.06128010
81151	Exact_Mass	89.047678466
79814	Covalent_Unit_Count	1
90470403	Defined_Bond_Stereo_Count	0
4369560	Rotatable_Bond_Count	4
8799	Mono_Isotopic_Weight	359.960203
22563961	Covalent_Unit_Count	1
11584	Rotatable_Bond_Count	3
83445	Structure_Complexity	290
89019320	Hydrogen_Bond_Donor_Count	1
704232	Mono_Isotopic_Weight	312.14739250
10262683	Isotope_Atom_Count	0
19962939	Undefined_Atom_Stereo_Count	0
2417	Defined_Atom_Stereo_Count	0
2752649	Undefined_Atom_Stereo_Count	0
64992139	Hydrogen_Bond_Donor_Count	1
2762887	Isotope_Atom_Count	0
4993182	Hydrogen_Bond_Donor_Count	3
5491612	Structure_Complexity	311
73101855	Isotope_Atom_Count	0
62708	Covalent_Unit_Count	2
37968	Defined_Bond_Stereo_Count	0
129669019	Undefined_Bond_Stereo_Count	0
57395978	Undefined_Atom_Stereo_Count	1
53248849	Structure_Complexity	335
6515535	TPSA	70.9
2574	Hydrogen_Bond_Acceptor_Count	3
3035657	Tautomer_Count	2
4470790	Total_Formal_Charge	0
129721137	Defined_Atom_Stereo_Count	6
9789	Mono_Isotopic_Weight	121.01393355
25199807	Covalent_Unit_Count	3
6296	Defined_Atom_Stereo_Count	0
57392610	Total_Formal_Charge	0
62158	Exact_Mass	242.09027155
104609	Undefined_Bond_Stereo_Count	0
8778	Hydrogen_Bond_Donor_Count	1
100940066	Undefined_Bond_Stereo_Count	0
129636415	Molecular_Weight	492.6
253613	XLogP3-AA	5.6
9327	Non-hydrogen_Atom_Count	46
23629997	Covalent_Unit_Count	1
68503	Mono_Isotopic_Weight	183.98876
89064108	Total_Formal_Charge	0
20329340	Undefined_Atom_Stereo_Count	0
42627755	Defined_Atom_Stereo_Count	0
68322085	Molecular_Weight	341.4
14917	Non-hydrogen_Atom_Count	1
135399833	Covalent_Unit_Count	4
24825264	Covalent_Unit_Count	1
4901	TPSA	40.5
21519577	Defined_Bond_Stereo_Count	0
40463608	Molecular_Weight	115.13
11350701	Defined_Bond_Stereo_Count	0
90935301	Defined_Bond_Stereo_Count	0
51529	Defined_Atom_Stereo_Count	0
448388	Exact_Mass	180.06338810
9227	Defined_Bond_Stereo_Count	0
13483371	Defined_Atom_Stereo_Count	0
57660	Covalent_Unit_Count	1
7015	Defined_Atom_Stereo_Count	0
11906	XLogP3	3.2
26330	Defined_Bond_Stereo_Count	0
19543	Covalent_Unit_Count	1
19065710	Undefined_Atom_Stereo_Count	1
5284556	Isotope_Atom_Count	0
12115801	Non-hydrogen_Atom_Count	8
18758985	Molecular_Weight	99.09
5317426	Undefined_Bond_Stereo_Count	0
443879	Molecular_Weight	325.5
62425	Undefined_Atom_Stereo_Count	0
123134107	Undefined_Bond_Stereo_Count	0
54573150	Non-hydrogen_Atom_Count	8
62817	Structure_Complexity	152
122130476	Undefined_Bond_Stereo_Count	0
5388977	Structure_Complexity	585
73648	Defined_Bond_Stereo_Count	0
13265779	Defined_Bond_Stereo_Count	0
13263	Molecular_Weight	227.33
18768052	Defined_Atom_Stereo_Count	0
10287749	Exact_Mass	413.30422750
5932	Undefined_Bond_Stereo_Count	0
76191	Non-hydrogen_Atom_Count	11
79506	Mono_Isotopic_Weight	126.104465066
91555	TPSA	52
123678021	Undefined_Atom_Stereo_Count	0
129864959	Exact_Mass	292.10341969
21331354	Non-hydrogen_Atom_Count	8
87112	Rotatable_Bond_Count	1
23616906	Hydrogen_Bond_Acceptor_Count	5
3392731	Molecular_Weight	502.8
82419	Rotatable_Bond_Count	1
84693	Defined_Bond_Stereo_Count	0
71583603	Structure_Complexity	558
245005	Defined_Atom_Stereo_Count	14
92600	TPSA	74.6
6877	Undefined_Atom_Stereo_Count	0
1548885	TPSA	73.6
44155874	Hydrogen_Bond_Donor_Count	0
89512131	Molecular_Weight	371.8
5284385	TPSA	44.5
68546	TPSA	107
12763	Molecular_Weight	126.24
118	TPSA	43.1
23662871	Mono_Isotopic_Weight	492.01742078
15106	Total_Formal_Charge	0
10930422	Undefined_Atom_Stereo_Count	0
69240	Hydrogen_Bond_Donor_Count	0
32816	Isotope_Atom_Count	0
23863720	Isotope_Atom_Count	0
23681382	Rotatable_Bond_Count	1
13618050	Covalent_Unit_Count	1
17771	Molecular_Weight	421.75
443935	Rotatable_Bond_Count	0
34474	Isotope_Atom_Count	0
252139	TPSA	48.8
7153	Non-hydrogen_Atom_Count	14
45609	Total_Formal_Charge	0
57503849	Molecular_Weight	1261.4
138442	Undefined_Atom_Stereo_Count	0
54602348	Rotatable_Bond_Count	0
9845622	Total_Formal_Charge	0
517361	Exact_Mass	101.1011942
27932	Defined_Atom_Stereo_Count	0
572717	XLogP3-AA	1.8
50491	Undefined_Atom_Stereo_Count	2
520396	Tautomer_Count	1
3000605	Undefined_Bond_Stereo_Count	0
30529	Undefined_Atom_Stereo_Count	0
601	TPSA	92.4
20055482	Undefined_Atom_Stereo_Count	0
213053	Isotope_Atom_Count	0
15951529	Defined_Atom_Stereo_Count	0
16375	XLogP3	0.3
10307849	Undefined_Atom_Stereo_Count	0
51629	Isotope_Atom_Count	0
40428945	XLogP3	0.1
439570	Exact_Mass	150.104465066
18506394	Hydrogen_Bond_Acceptor_Count	2
21903911	Non-hydrogen_Atom_Count	7
1201518	Molecular_Weight	154.25
25115964	Rotatable_Bond_Count	5
162918377	Defined_Bond_Stereo_Count	1
9983292	Undefined_Bond_Stereo_Count	0
85217	Rotatable_Bond_Count	2
2762280	Non-hydrogen_Atom_Count	21
45269673	Hydrogen_Bond_Donor_Count	1
19864017	Tautomer_Count	3
11813	Defined_Bond_Stereo_Count	0
46738768	XLogP3-AA	0.6
53465279	Undefined_Atom_Stereo_Count	0
6927356	Undefined_Atom_Stereo_Count	0
79484	TPSA	57.5
5966	Hydrogen_Bond_Donor_Count	0
58914	Isotope_Atom_Count	0
31195	Isotope_Atom_Count	0
138889	Rotatable_Bond_Count	3
705472	Defined_Atom_Stereo_Count	0
5780	Undefined_Bond_Stereo_Count	0
153874923	Structure_Complexity	90.5
11865405	Non-hydrogen_Atom_Count	22
563049	Total_Formal_Charge	0
136648	Molecular_Weight	80.13
13559279	Rotatable_Bond_Count	3
15188270	TPSA	12
536124	Non-hydrogen_Atom_Count	8
156	Mono_Isotopic_Weight	136.074896272
17162	Hydrogen_Bond_Donor_Count	0
6538981	Defined_Bond_Stereo_Count	0
2155128	Non-hydrogen_Atom_Count	31
165154846	Hydrogen_Bond_Acceptor_Count	2
24211992	Covalent_Unit_Count	1
25132613	TPSA	77.9
60503	Rotatable_Bond_Count	5
53914733	Covalent_Unit_Count	1
58387740	Covalent_Unit_Count	1
521324	Total_Formal_Charge	0
136059	Rotatable_Bond_Count	0
312145	Non-hydrogen_Atom_Count	31
11240424	Undefined_Bond_Stereo_Count	0
23355	XLogP3	0
60574	Structure_Complexity	326
75252	Total_Formal_Charge	0
27888	Undefined_Bond_Stereo_Count	0
41596	Isotope_Atom_Count	0
56658436	Non-hydrogen_Atom_Count	25
20903	Exact_Mass	126.068079557
10230	Structure_Complexity	167
7371	Total_Formal_Charge	0
14656672	Mono_Isotopic_Weight	86.048012819
17928	Hydrogen_Bond_Donor_Count	1
66550979	Undefined_Atom_Stereo_Count	0
137076	Non-hydrogen_Atom_Count	8
70695343	XLogP3-AA	3.9
57927	Defined_Bond_Stereo_Count	0
12276020	Structure_Complexity	40.8
9954082	Tautomer_Count	2
4659569	Molecular_Weight	273.24
101743295	Structure_Complexity	441
57159129	Isotope_Atom_Count	0
73024	Defined_Bond_Stereo_Count	0
12381421	TPSA	12.5
21417010	Hydrogen_Bond_Donor_Count	4
9549168	TPSA	552
5940	Exact_Mass	280.90199
15273916	TPSA	21.6
12514	Non-hydrogen_Atom_Count	7
26576	TPSA	50.8
13574952	Molecular_Weight	118.13
59021	TPSA	107
1549080	Total_Formal_Charge	0
5281764	Undefined_Bond_Stereo_Count	0
10297043	Defined_Atom_Stereo_Count	1
57750329	Hydrogen_Bond_Acceptor_Count	5
53388942	Molecular_Weight	471.5
808817	Molecular_Weight	247.33
20035	Rotatable_Bond_Count	7
84647681	TPSA	38.3
3598879	Hydrogen_Bond_Donor_Count	1
5859	Undefined_Atom_Stereo_Count	0
91456	Structure_Complexity	207
10226045	Structure_Complexity	730
66255	Tautomer_Count	8
36811	Isotope_Atom_Count	0
21455617	Undefined_Atom_Stereo_Count	0
43552	TPSA	0
67210	Mono_Isotopic_Weight	298.02258592
44560806	TPSA	150
34230	Molecular_Weight	725.0
22817	Hydrogen_Bond_Acceptor_Count	1
3032792	Structure_Complexity	434
27934	Defined_Atom_Stereo_Count	0
230710	Covalent_Unit_Count	1
76997	Non-hydrogen_Atom_Count	15
71463602	XLogP3	1
86088606	Isotope_Atom_Count	0
5249209	TPSA	30.7
49248	Defined_Atom_Stereo_Count	0
131430882	Defined_Bond_Stereo_Count	0
1335	Molecular_Weight	133.15
98442	Structure_Complexity	276
129668601	Isotope_Atom_Count	0
9447938	Molecular_Weight	283.28
90829381	Mono_Isotopic_Weight	665.30474055
18691	Rotatable_Bond_Count	3
4454009	Defined_Bond_Stereo_Count	0
68681268	Non-hydrogen_Atom_Count	32
8011	Hydrogen_Bond_Donor_Count	1
5610	Defined_Atom_Stereo_Count	0
75987156	Rotatable_Bond_Count	4
18470	Hydrogen_Bond_Acceptor_Count	0
66908	Defined_Bond_Stereo_Count	0
69095	Structure_Complexity	363
6709	Undefined_Bond_Stereo_Count	0
467	Undefined_Atom_Stereo_Count	3
21016055	TPSA	20.3
57930746	Defined_Atom_Stereo_Count	0
118689593	Undefined_Atom_Stereo_Count	1
13408391	Structure_Complexity	314
529277	Hydrogen_Bond_Donor_Count	0
46830239	TPSA	71.6
165105	Molecular_Weight	178.14
11750474	Defined_Bond_Stereo_Count	0
137105	Undefined_Atom_Stereo_Count	0
14577976	Undefined_Atom_Stereo_Count	0
1094	Hydrogen_Bond_Acceptor_Count	5
23276	Defined_Bond_Stereo_Count	0
547686	Undefined_Bond_Stereo_Count	0
60196273	Undefined_Bond_Stereo_Count	0
48288	Undefined_Atom_Stereo_Count	1
165363410	Isotope_Atom_Count	0
59050126	Structure_Complexity	74.9
448949	Total_Formal_Charge	0
53903157	Molecular_Weight	42.040
13611091	Rotatable_Bond_Count	0
102491	Defined_Bond_Stereo_Count	0
23450	TPSA	63.3
9821174	Rotatable_Bond_Count	4
72924	Mono_Isotopic_Weight	139.026943022
53808	Mono_Isotopic_Weight	276.0553220
75810	TPSA	55.1
70381	Molecular_Weight	225.28
70235	Covalent_Unit_Count	1
18179173	XLogP3-AA	0.6
5236	Structure_Complexity	37.4
56680337	Defined_Bond_Stereo_Count	0
11147897	Molecular_Weight	163.13
473148	Total_Formal_Charge	0
25050	Non-hydrogen_Atom_Count	17
123550154	Structure_Complexity	562
44134815	Hydrogen_Bond_Donor_Count	5
5726	TPSA	93.2
3720856	Mono_Isotopic_Weight	202.04639011
11285	Total_Formal_Charge	0
75779	Undefined_Bond_Stereo_Count	0
542372	XLogP3-AA	2.3
71681318	Defined_Atom_Stereo_Count	0
44395044	Molecular_Weight	499.6
5460700	Defined_Atom_Stereo_Count	0
142186967	Hydrogen_Bond_Donor_Count	3
66623496	Non-hydrogen_Atom_Count	8
23672329	Undefined_Atom_Stereo_Count	0
55891	Defined_Bond_Stereo_Count	0
7842	Mono_Isotopic_Weight	117.94181
32350	Molecular_Weight	731.7
6529	Molecular_Weight	368.4
91618345	Undefined_Bond_Stereo_Count	0
101707094	Molecular_Weight	66.10
54099775	Non-hydrogen_Atom_Count	8
163636613	Undefined_Bond_Stereo_Count	0
154016567	Molecular_Weight	111.10
4093	Undefined_Bond_Stereo_Count	0
78858	Total_Formal_Charge	0
75421	Total_Formal_Charge	0
88578918	Defined_Atom_Stereo_Count	0
46930997	Mono_Isotopic_Weight	317.152812238
57394709	Undefined_Bond_Stereo_Count	0
60825	Total_Formal_Charge	0
10963	Tautomer_Count	1
154091255	Rotatable_Bond_Count	1
17754111	Structure_Complexity	225
25129043	Structure_Complexity	829
142901	Mono_Isotopic_Weight	110.073164938
62705689	XLogP3-AA	2.7
21275418	Covalent_Unit_Count	1
184653	Hydrogen_Bond_Acceptor_Count	1
13625	Hydrogen_Bond_Donor_Count	1
129797481	Isotope_Atom_Count	0
15375	Structure_Complexity	73.7
4523333	Exact_Mass	151.039519081
535634	XLogP3-AA	0.2
12498	Structure_Complexity	292
68194	XLogP3	0.5
141330	Defined_Atom_Stereo_Count	0
4136	Covalent_Unit_Count	1
123248674	Structure_Complexity	60.7
71593	Mono_Isotopic_Weight	149.07014524
70912	XLogP3	0.5
157684	XLogP3	4.9
71450704	Total_Formal_Charge	0
155713	Total_Formal_Charge	0
54580844	Isotope_Atom_Count	0
137071	Hydrogen_Bond_Donor_Count	1
5282200	Undefined_Atom_Stereo_Count	0
449688	Undefined_Bond_Stereo_Count	0
153852218	Non-hydrogen_Atom_Count	7
7756	Hydrogen_Bond_Acceptor_Count	2
9921294	Mono_Isotopic_Weight	252.1029409
5769	TPSA	45.6
68258	Total_Formal_Charge	0
15739357	Defined_Atom_Stereo_Count	0
15566577	Covalent_Unit_Count	1
28230148	Isotope_Atom_Count	0
118318030	Defined_Atom_Stereo_Count	15
67511	Undefined_Bond_Stereo_Count	0
20735704	Non-hydrogen_Atom_Count	7
86929	Hydrogen_Bond_Donor_Count	0
8430	XLogP3-AA	3.5
21054637	Non-hydrogen_Atom_Count	7
59882246	Mono_Isotopic_Weight	111.068413911
67123	Rotatable_Bond_Count	13
63142	Hydrogen_Bond_Acceptor_Count	3
21930924	Molecular_Weight	371.2
3277	Mono_Isotopic_Weight	289.15387487
26191	Molecular_Weight	278.78
427	Undefined_Atom_Stereo_Count	2
2735122	Tautomer_Count	1
537396	Undefined_Atom_Stereo_Count	1
5281915	Hydrogen_Bond_Donor_Count	0
28610	Rotatable_Bond_Count	7
56668820	Undefined_Atom_Stereo_Count	1
31253	Rotatable_Bond_Count	4
74523	Molecular_Weight	172.27
69017	Defined_Bond_Stereo_Count	0
225710	Structure_Complexity	86.1
76228	Defined_Bond_Stereo_Count	0
14041489	Total_Formal_Charge	0
64369	Defined_Bond_Stereo_Count	0
26514	Hydrogen_Bond_Acceptor_Count	2
60196284	Exact_Mass	451.3217074
2327	Non-hydrogen_Atom_Count	18
36119	Molecular_Weight	447.5
64772	Structure_Complexity	694
122451302	Exact_Mass	416.32904526
139081225	Total_Formal_Charge	0
91668186	Tautomer_Count	288
437085	Non-hydrogen_Atom_Count	22
17845026	Total_Formal_Charge	0
15951488	Non-hydrogen_Atom_Count	26
75821	Molecular_Weight	162.18
71840	Undefined_Atom_Stereo_Count	0
15758	Undefined_Bond_Stereo_Count	0
6420096	Exact_Mass	47.037113783
16415729	Hydrogen_Bond_Donor_Count	3
2734117	Non-hydrogen_Atom_Count	34
57395977	Rotatable_Bond_Count	10
65092	XLogP3-AA	0.6
54108432	Exact_Mass	122.03433465
15190	Non-hydrogen_Atom_Count	32
14490	Mono_Isotopic_Weight	132.078644241
93032	Undefined_Bond_Stereo_Count	0
2690	Non-hydrogen_Atom_Count	20
79488	Hydrogen_Bond_Acceptor_Count	1
812042	Non-hydrogen_Atom_Count	26
44558536	Mono_Isotopic_Weight	373.1808568
61718	Mono_Isotopic_Weight	256.16745924
70267	Covalent_Unit_Count	1
139356	Hydrogen_Bond_Acceptor_Count	11
2524	Hydrogen_Bond_Donor_Count	3
5281810	Tautomer_Count	10
7755	XLogP3-AA	1.6
4497	Hydrogen_Bond_Acceptor_Count	8
93184	Defined_Bond_Stereo_Count	0
57467550	Covalent_Unit_Count	1
533840	Structure_Complexity	39.2
61833	Tautomer_Count	1
74067	Rotatable_Bond_Count	1
11175137	Undefined_Bond_Stereo_Count	0
101526	Undefined_Atom_Stereo_Count	0
12479058	Hydrogen_Bond_Donor_Count	0
189562	Covalent_Unit_Count	1
5282315	Covalent_Unit_Count	2
11658655	Rotatable_Bond_Count	1
71305034	Structure_Complexity	636
164116	Undefined_Bond_Stereo_Count	0
75282141	Hydrogen_Bond_Donor_Count	0
3016390	Defined_Bond_Stereo_Count	0
49866693	Undefined_Atom_Stereo_Count	0
4627783	Structure_Complexity	84.4
45359047	Mono_Isotopic_Weight	372.24922409
717505	Total_Formal_Charge	0
137967	Undefined_Bond_Stereo_Count	0
15309593	XLogP3-AA	1.2
5364971	Covalent_Unit_Count	1
35763	Non-hydrogen_Atom_Count	11
23643936	Molecular_Weight	893.2
11346811	Exact_Mass	290.09364285
24207	Isotope_Atom_Count	0
9570071	Hydrogen_Bond_Acceptor_Count	4
89759530	Non-hydrogen_Atom_Count	8
228006	Undefined_Atom_Stereo_Count	1
444022	Defined_Atom_Stereo_Count	6
7132	Structure_Complexity	263
147305619	Undefined_Atom_Stereo_Count	3
56972665	Hydrogen_Bond_Donor_Count	0
136197528	Isotope_Atom_Count	0
95770	Total_Formal_Charge	0
139292186	Defined_Bond_Stereo_Count	2
160332	Exact_Mass	287.058243149
54708299	Covalent_Unit_Count	1
115000	Covalent_Unit_Count	2
44472635	Structure_Complexity	782
54586718	Defined_Bond_Stereo_Count	0
21189145	Mono_Isotopic_Weight	114.031694049
11159621	Tautomer_Count	23
3052762	Undefined_Atom_Stereo_Count	0
25058186	Defined_Bond_Stereo_Count	0
5246202	Rotatable_Bond_Count	7
118346510	Defined_Bond_Stereo_Count	0
11872	Molecular_Weight	198.13
157568	Hydrogen_Bond_Acceptor_Count	2
91395	Structure_Complexity	1170
73707487	Defined_Bond_Stereo_Count	0
102025582	Mono_Isotopic_Weight	342.11621151
10760	Mono_Isotopic_Weight	226.12050905
83909	XLogP3	3
2115	Tautomer_Count	1
66679	Defined_Atom_Stereo_Count	0
6113	Undefined_Bond_Stereo_Count	0
62739	Undefined_Bond_Stereo_Count	0
11147674	Hydrogen_Bond_Donor_Count	1
12358970	XLogP3	2.4
3014955	Defined_Bond_Stereo_Count	0
555192	Undefined_Atom_Stereo_Count	0
70719	Defined_Bond_Stereo_Count	0
44562492	Rotatable_Bond_Count	3
37686	Rotatable_Bond_Count	5
21973793	Mono_Isotopic_Weight	98.084398327
25191022	Hydrogen_Bond_Acceptor_Count	10
6527	Rotatable_Bond_Count	6
56036	Tautomer_Count	10
54681623	Defined_Atom_Stereo_Count	0
992	Total_Formal_Charge	0
156588860	Hydrogen_Bond_Acceptor_Count	14
72073	Exact_Mass	162.042927438
46203882	Exact_Mass	167.105862047
24233	Defined_Bond_Stereo_Count	0
677105	Covalent_Unit_Count	1
107917	Defined_Bond_Stereo_Count	0
84106846	Exact_Mass	114.104465066
12705044	Molecular_Weight	104.15
12228201	Undefined_Bond_Stereo_Count	0
25110841	Rotatable_Bond_Count	9
71950363	Hydrogen_Bond_Acceptor_Count	3
221523	TPSA	9.2
76040	Rotatable_Bond_Count	0
107780	Undefined_Atom_Stereo_Count	0
4561	Hydrogen_Bond_Acceptor_Count	2
16682953	Isotope_Atom_Count	0
1247	Hydrogen_Bond_Donor_Count	1
65681	Molecular_Weight	236.27
85693614	Rotatable_Bond_Count	3
14044	Mono_Isotopic_Weight	115.063328530
123215474	Hydrogen_Bond_Donor_Count	3
7683	Structure_Complexity	141
64927	Defined_Bond_Stereo_Count	0
5880	Total_Formal_Charge	0
137218006	Hydrogen_Bond_Donor_Count	5
14587284	Total_Formal_Charge	0
54475034	Covalent_Unit_Count	1
91423682	Undefined_Bond_Stereo_Count	0
54316592	Non-hydrogen_Atom_Count	8
123489618	Undefined_Bond_Stereo_Count	0
9926054	Tautomer_Count	5
8580	Total_Formal_Charge	0
124018515	Hydrogen_Bond_Donor_Count	0
20662793	Hydrogen_Bond_Acceptor_Count	1
23080446	Undefined_Bond_Stereo_Count	0
141281584	Exact_Mass	114.104465066
5159	Molecular_Weight	1259.4
4494	Tautomer_Count	5
71622	Undefined_Bond_Stereo_Count	0
5319022	Mono_Isotopic_Weight	190.099379685
13858	Mono_Isotopic_Weight	109.052763847
24824	Hydrogen_Bond_Donor_Count	0
174782	Molecular_Weight	847.5
21680715	Defined_Atom_Stereo_Count	4
50988819	XLogP3-AA	4.5
10688007	Hydrogen_Bond_Acceptor_Count	4
9993573	Exact_Mass	276.02700259
5154	Molecular_Weight	332.3
751826	XLogP3	0.5
15107	Isotope_Atom_Count	0
5310985	Molecular_Weight	308.4
36688241	Exact_Mass	427.20331054
443970	Undefined_Atom_Stereo_Count	0
59664	Exact_Mass	354.00765
8430	Covalent_Unit_Count	1
101254308	Molecular_Weight	182.15
86790	Rotatable_Bond_Count	2
12431566	Defined_Bond_Stereo_Count	0
98055	XLogP3-AA	4
6941	Rotatable_Bond_Count	1
129396765	TPSA	180
703	Non-hydrogen_Atom_Count	53
141366	Exact_Mass	91.042199164
56955954	Isotope_Atom_Count	0
259360	Total_Formal_Charge	0
4830	Covalent_Unit_Count	1
41020	Non-hydrogen_Atom_Count	30
74724	Covalent_Unit_Count	2
5245480	Undefined_Bond_Stereo_Count	0
3035829	Rotatable_Bond_Count	4
6379	Rotatable_Bond_Count	0
481696	Isotope_Atom_Count	0
9571062	TPSA	132
74266	Hydrogen_Bond_Acceptor_Count	6
13684981	Mono_Isotopic_Weight	104.047344113
3825	Hydrogen_Bond_Donor_Count	1
16102853	Defined_Atom_Stereo_Count	1
641768	Hydrogen_Bond_Donor_Count	1
1359	Non-hydrogen_Atom_Count	15
20055400	Defined_Bond_Stereo_Count	0
54760130	Exact_Mass	352.16477390
10715	Total_Formal_Charge	0
17321	Covalent_Unit_Count	1
22380788	Covalent_Unit_Count	1
18759351	XLogP3-AA	0.3
101544	Exact_Mass	323.05185141
22138130	Mono_Isotopic_Weight	116.083729621
5368076	Tautomer_Count	1
674701	Defined_Bond_Stereo_Count	0
41463	XLogP3-AA	6.6
122173102	Total_Formal_Charge	0
24848419	Isotope_Atom_Count	0
135013065	Defined_Atom_Stereo_Count	0
96543	Undefined_Bond_Stereo_Count	0
7219	Hydrogen_Bond_Donor_Count	0
10325129	Hydrogen_Bond_Acceptor_Count	8
10523409	Structure_Complexity	388
68789	Exact_Mass	295.19475723
370	Exact_Mass	170.02152329
8924	Mono_Isotopic_Weight	215.236147938
14869	Covalent_Unit_Count	1
54688689	Undefined_Atom_Stereo_Count	1
64356	Defined_Atom_Stereo_Count	0
3520	Molecular_Weight	59.07
44152553	XLogP3-AA	6.4
134687781	Structure_Complexity	1480
6829	Non-hydrogen_Atom_Count	15
5288674	Undefined_Bond_Stereo_Count	0
529399	Structure_Complexity	72.9
5351447	Rotatable_Bond_Count	5
142906448	Covalent_Unit_Count	1
22182	Mono_Isotopic_Weight	392.1997337
15066029	Molecular_Weight	116.16
54071	Tautomer_Count	2
2761	Covalent_Unit_Count	1
25133381	Hydrogen_Bond_Acceptor_Count	5
52944340	Total_Formal_Charge	0
441348	Isotope_Atom_Count	0
17880	Defined_Bond_Stereo_Count	0
61701	Structure_Complexity	208
49849621	Non-hydrogen_Atom_Count	30
3331	Hydrogen_Bond_Acceptor_Count	4
9964065	Defined_Atom_Stereo_Count	0
140990	Exact_Mass	94.078250319
15599	Isotope_Atom_Count	0
4095801	Defined_Bond_Stereo_Count	0
133728	XLogP3-AA	3.1
71459864	Rotatable_Bond_Count	18
6439522	Defined_Bond_Stereo_Count	1
12418	Undefined_Atom_Stereo_Count	0
77067	Defined_Atom_Stereo_Count	0
4978	TPSA	176
90473076	Isotope_Atom_Count	1
11863	TPSA	0
49107	Molecular_Weight	372.3
87110	Covalent_Unit_Count	1
296732	Mono_Isotopic_Weight	220.100048391
44283095	Rotatable_Bond_Count	2
12378	Undefined_Atom_Stereo_Count	0
346926	Defined_Bond_Stereo_Count	0
10949	Undefined_Atom_Stereo_Count	0
273577	XLogP3-AA	4.4
66248	Hydrogen_Bond_Acceptor_Count	3
11297955	TPSA	35.5
62066	Covalent_Unit_Count	2
23663412	Structure_Complexity	819
66908038	Isotope_Atom_Count	0
1083	Molecular_Weight	379.39
70069	Structure_Complexity	669
24848330	Exact_Mass	329.18651766
66081	Hydrogen_Bond_Acceptor_Count	0
27295	Undefined_Atom_Stereo_Count	0
643790	Defined_Bond_Stereo_Count	1
4538	Non-hydrogen_Atom_Count	11
21139953	XLogP3-AA	4.9
98511	Rotatable_Bond_Count	2
71301276	Hydrogen_Bond_Acceptor_Count	3
182951	TPSA	62.6
11906	Undefined_Bond_Stereo_Count	0
412736	Rotatable_Bond_Count	6
25272022	Undefined_Atom_Stereo_Count	0
309734	TPSA	29.1
2064111	Molecular_Weight	106.13
70484261	Undefined_Bond_Stereo_Count	0
149026	Structure_Complexity	152
71484	Rotatable_Bond_Count	6
10219396	TPSA	26
333942	Hydrogen_Bond_Donor_Count	2
5249209	Structure_Complexity	326
15920952	Non-hydrogen_Atom_Count	10
55284153	Hydrogen_Bond_Acceptor_Count	3
8226	Undefined_Atom_Stereo_Count	0
23513454	Total_Formal_Charge	0
17564	Defined_Bond_Stereo_Count	0
129876172	Exact_Mass	341.12632271
6917880	Rotatable_Bond_Count	5
119097490	Hydrogen_Bond_Acceptor_Count	2
636401	Rotatable_Bond_Count	3
38350	Undefined_Atom_Stereo_Count	0
49838879	Hydrogen_Bond_Acceptor_Count	7
44455012	Rotatable_Bond_Count	6
104802	Mono_Isotopic_Weight	346.16008244
12441597	Exact_Mass	116.083729621
603711	Exact_Mass	214.07759887
14342	Mono_Isotopic_Weight	343.918158
10675	Hydrogen_Bond_Donor_Count	1
7004	Isotope_Atom_Count	0
16678407	Structure_Complexity	552
23090352	Total_Formal_Charge	0
125183303	Undefined_Atom_Stereo_Count	0
3291	Undefined_Atom_Stereo_Count	1
21867279	Non-hydrogen_Atom_Count	3
526	Defined_Bond_Stereo_Count	0
297691	Rotatable_Bond_Count	3
59045964	Exact_Mass	111.068413911
15025	Hydrogen_Bond_Acceptor_Count	14
13197720	Undefined_Bond_Stereo_Count	0
49787020	Hydrogen_Bond_Acceptor_Count	17
69049742	TPSA	145
96281	Total_Formal_Charge	0
158980	Hydrogen_Bond_Acceptor_Count	5
5410	Mono_Isotopic_Weight	344.23514488
23663976	Tautomer_Count	1
5459958	Structure_Complexity	136
6917662	Mono_Isotopic_Weight	283.1702921
5507	Total_Formal_Charge	0
6399259	Exact_Mass	413.04637556
21547708	Tautomer_Count	5
44623071	Rotatable_Bond_Count	0
16211409	Tautomer_Count	1
67643	Non-hydrogen_Atom_Count	25
175533	Non-hydrogen_Atom_Count	34
2724100	Molecular_Weight	594.5
70324	Mono_Isotopic_Weight	162.104465066
54292	Total_Formal_Charge	0
8916	Rotatable_Bond_Count	8
8365	Hydrogen_Bond_Acceptor_Count	3
12902531	Non-hydrogen_Atom_Count	8
7146288	XLogP3-AA	2.7
11610599	Defined_Bond_Stereo_Count	0
6918612	Exact_Mass	305.16270821
3048339	TPSA	23.5
66354	Molecular_Weight	83.09
83907	Tautomer_Count	1
53320156	Hydrogen_Bond_Acceptor_Count	5
340026	Hydrogen_Bond_Acceptor_Count	6
6918155	Non-hydrogen_Atom_Count	39
69262172	TPSA	53
51043	Undefined_Atom_Stereo_Count	0
59844561	Isotope_Atom_Count	0
24771	Covalent_Unit_Count	1
136510	Non-hydrogen_Atom_Count	8
1388	Undefined_Atom_Stereo_Count	0
54870	Undefined_Atom_Stereo_Count	1
4423	Structure_Complexity	549
601163	Non-hydrogen_Atom_Count	16
14437479	Rotatable_Bond_Count	3
66949337	Structure_Complexity	122
4722595	Defined_Bond_Stereo_Count	0
5282948	Hydrogen_Bond_Donor_Count	2
3038481	Hydrogen_Bond_Donor_Count	1
11721	Hydrogen_Bond_Donor_Count	0
61235	Defined_Bond_Stereo_Count	0
90803	Isotope_Atom_Count	0
22224160	Exact_Mass	106.078250319
182139	Structure_Complexity	89.1
72149	Mono_Isotopic_Weight	382.18925731
5288845	Undefined_Bond_Stereo_Count	0
82736	Total_Formal_Charge	0
9810771	Total_Formal_Charge	0
696	Structure_Complexity	220
9815559	Covalent_Unit_Count	1
15558640	Undefined_Bond_Stereo_Count	0
12713	TPSA	26.3
76007601	Total_Formal_Charge	0
16669	Structure_Complexity	94.7
15981386	Undefined_Atom_Stereo_Count	0
9906	Non-hydrogen_Atom_Count	15
144813235	Structure_Complexity	139
637517	Non-hydrogen_Atom_Count	20
94215	Hydrogen_Bond_Donor_Count	2
59296066	Molecular_Weight	487.9
3037206	Undefined_Bond_Stereo_Count	0
10969	Hydrogen_Bond_Acceptor_Count	2
68909	Defined_Bond_Stereo_Count	0
14077	TPSA	26.8
5364448	Isotope_Atom_Count	0
287064	Molecular_Weight	168.15
11150163	Undefined_Bond_Stereo_Count	0
135905454	Hydrogen_Bond_Acceptor_Count	5
75921	Non-hydrogen_Atom_Count	16
8184	Defined_Atom_Stereo_Count	0
135403647	TPSA	221
21954272	Total_Formal_Charge	0
60050	Rotatable_Bond_Count	3
42519	Total_Formal_Charge	0
136585	Defined_Bond_Stereo_Count	0
91589206	Rotatable_Bond_Count	1
11790	Total_Formal_Charge	0
6441057	Exact_Mass	252.208930132
57055230	Non-hydrogen_Atom_Count	7
123347340	TPSA	0
55223	XLogP3-AA	2.6
6620134	Mono_Isotopic_Weight	445.20015635
51371222	Molecular_Weight	392.18
22238266	Hydrogen_Bond_Donor_Count	1
22099238	Non-hydrogen_Atom_Count	8
44720578	Covalent_Unit_Count	1
9841854	Covalent_Unit_Count	1
19137	XLogP3	1.7
92822	Isotope_Atom_Count	0
71462631	Defined_Bond_Stereo_Count	0
613365	Defined_Atom_Stereo_Count	0
39174	Covalent_Unit_Count	3
13807316	Undefined_Bond_Stereo_Count	0
564664	Hydrogen_Bond_Acceptor_Count	0
2683	XLogP3-AA	8.7
19354533	TPSA	9.2
26295	Total_Formal_Charge	0
107649	Undefined_Atom_Stereo_Count	0
993	Hydrogen_Bond_Donor_Count	4
6972	Total_Formal_Charge	0
253	Covalent_Unit_Count	1
44129648	Rotatable_Bond_Count	6
18764599	Exact_Mass	116.083729621
162172	Non-hydrogen_Atom_Count	20
439356	Mono_Isotopic_Weight	203.105862047
54006055	Defined_Bond_Stereo_Count	0
87503479	Defined_Atom_Stereo_Count	0
14065290	Exact_Mass	112.063662883
24759	TPSA	400
42602095	Undefined_Bond_Stereo_Count	0
433956	Rotatable_Bond_Count	3
65589	Defined_Bond_Stereo_Count	0
5242388	XLogP3-AA	1.8
23317073	Non-hydrogen_Atom_Count	7
57264323	Rotatable_Bond_Count	0
23727689	XLogP3-AA	6
68195	Mono_Isotopic_Weight	355.06604838
61254	Defined_Bond_Stereo_Count	0
68392349	Defined_Bond_Stereo_Count	0
2724163	Non-hydrogen_Atom_Count	26
124249048	Mono_Isotopic_Weight	107.073499291
48918	Undefined_Atom_Stereo_Count	0
18377	Rotatable_Bond_Count	5
6450816	Mono_Isotopic_Weight	612.2173192
16969	Exact_Mass	120.093900383
31233	Defined_Bond_Stereo_Count	0
12315	Defined_Atom_Stereo_Count	0
11256587	Tautomer_Count	42
2485	Exact_Mass	555.27517176
54592009	TPSA	63.7
5962	Covalent_Unit_Count	1
137944176	Covalent_Unit_Count	1
524214	Rotatable_Bond_Count	0
59601793	XLogP3-AA	1.2
18732336	Defined_Bond_Stereo_Count	0
62299	Defined_Atom_Stereo_Count	0
4781	Covalent_Unit_Count	1
5948958	Hydrogen_Bond_Donor_Count	1
37393	Isotope_Atom_Count	0
44838	Defined_Atom_Stereo_Count	0
846	Total_Formal_Charge	0
54046302	TPSA	46.2
706	Mono_Isotopic_Weight	382.13102722
90703052	Hydrogen_Bond_Donor_Count	0
11358924	Hydrogen_Bond_Acceptor_Count	5
44560574	Mono_Isotopic_Weight	422.10824754
9917968	Exact_Mass	684.52234258
64218	Structure_Complexity	387
129195194	Molecular_Weight	114.15
57090177	TPSA	28.7
22315763	Covalent_Unit_Count	1
9811353	Defined_Atom_Stereo_Count	10
19083156	Isotope_Atom_Count	0
441667	Exact_Mass	449.10838648
21581715	TPSA	43.1
91435	Covalent_Unit_Count	1
38014	Hydrogen_Bond_Donor_Count	0
8275	Defined_Bond_Stereo_Count	0
694983	Hydrogen_Bond_Acceptor_Count	5
141407440	XLogP3-AA	0.9
59202444	Defined_Bond_Stereo_Count	0
122241575	TPSA	54
12290031	Exact_Mass	85.089149355
10531	Covalent_Unit_Count	1
54580051	Molecular_Weight	439.6
12028	Defined_Atom_Stereo_Count	0
82131	Mono_Isotopic_Weight	213.96294
53806232	Non-hydrogen_Atom_Count	7
16637767	Total_Formal_Charge	0
83899	Defined_Atom_Stereo_Count	0
479930	Non-hydrogen_Atom_Count	31
543995	Exact_Mass	114.068079557
208907	Isotope_Atom_Count	0
3378440	Hydrogen_Bond_Acceptor_Count	8
78006	XLogP3-AA	2.1
69334703	Structure_Complexity	65.1
6300	Tautomer_Count	3
22168583	Isotope_Atom_Count	0
118210452	Isotope_Atom_Count	0
10920486	Exact_Mass	116.083729621
53886733	Defined_Atom_Stereo_Count	0
15614042	TPSA	89.5
64927	Total_Formal_Charge	0
10258659	Hydrogen_Bond_Acceptor_Count	6
22649035	Isotope_Atom_Count	0
71583269	Undefined_Bond_Stereo_Count	0
671755	Hydrogen_Bond_Donor_Count	1
264090	Undefined_Bond_Stereo_Count	0
156580481	Hydrogen_Bond_Donor_Count	2
9989224	Tautomer_Count	4
2858	Non-hydrogen_Atom_Count	61
93321	Isotope_Atom_Count	0
139086956	Hydrogen_Bond_Acceptor_Count	6
90708518	TPSA	72.8
6438130	TPSA	55.1
91857355	Non-hydrogen_Atom_Count	23
17695	Hydrogen_Bond_Acceptor_Count	3
2789	Hydrogen_Bond_Acceptor_Count	2
628181	Hydrogen_Bond_Donor_Count	1
300	Defined_Atom_Stereo_Count	0
8166	Undefined_Bond_Stereo_Count	0
86399	Total_Formal_Charge	0
117979204	Undefined_Atom_Stereo_Count	2
3613700	XLogP3	1.9
8101	TPSA	0
94746	Mono_Isotopic_Weight	114.068079557
20484	Hydrogen_Bond_Acceptor_Count	6
49862574	Mono_Isotopic_Weight	442.15379832
165906267	Defined_Atom_Stereo_Count	0
16779	Defined_Atom_Stereo_Count	0
53930639	Exact_Mass	193.121512110
91335727	XLogP3-AA	5.2
2653	Isotope_Atom_Count	0
5355732	Total_Formal_Charge	0
68364859	Undefined_Atom_Stereo_Count	0
23662274	Undefined_Atom_Stereo_Count	0
733076	Undefined_Atom_Stereo_Count	0
9795276	Structure_Complexity	245
129873282	Defined_Bond_Stereo_Count	0
135403803	Hydrogen_Bond_Donor_Count	3
56834575	Hydrogen_Bond_Acceptor_Count	7
70106	TPSA	17.1
6433554	Molecular_Weight	1597.6
15287	Covalent_Unit_Count	1
62551	Defined_Bond_Stereo_Count	0
62092	Defined_Bond_Stereo_Count	0
9548696	Total_Formal_Charge	0
15877745	Defined_Atom_Stereo_Count	0
14800	Tautomer_Count	1
53867497	Non-hydrogen_Atom_Count	11
135554980	Molecular_Weight	87.04
12268621	Defined_Bond_Stereo_Count	0
4906599	Undefined_Bond_Stereo_Count	0
24820357	Total_Formal_Charge	0
23541	Hydrogen_Bond_Acceptor_Count	4
566433	TPSA	26.3
9930049	TPSA	51.2
49868370	XLogP3	0.9
15940870	Hydrogen_Bond_Donor_Count	0
37137	Hydrogen_Bond_Acceptor_Count	9
135018	Defined_Atom_Stereo_Count	3
2871	Exact_Mass	362.0144595
5284556	XLogP3-AA	1.5
22220875	Non-hydrogen_Atom_Count	8
130271321	Non-hydrogen_Atom_Count	8
6539017	Total_Formal_Charge	0
272991	Non-hydrogen_Atom_Count	30
37248	Mono_Isotopic_Weight	289.922361
10336591	Molecular_Weight	100.16
56841603	Total_Formal_Charge	0
24405	Tautomer_Count	3
10437728	Mono_Isotopic_Weight	557.17737004
7560	Hydrogen_Bond_Donor_Count	1
44590515	Hydrogen_Bond_Donor_Count	2
16109396	Molecular_Weight	356.4
5748352	Exact_Mass	892.5353131
5243	Molecular_Weight	437.4
21900379	Rotatable_Bond_Count	4
440577	TPSA	240
53885557	Defined_Atom_Stereo_Count	0
716121	Undefined_Atom_Stereo_Count	0
413	Rotatable_Bond_Count	1
7105	Total_Formal_Charge	0
65063	Mono_Isotopic_Weight	308.04095237
10886	Isotope_Atom_Count	0
13577903	Hydrogen_Bond_Donor_Count	2
96129	Undefined_Bond_Stereo_Count	0
155293246	Undefined_Atom_Stereo_Count	0
71850	TPSA	0
232789	Non-hydrogen_Atom_Count	10
57384039	Mono_Isotopic_Weight	371.14945819
142657543	XLogP3-AA	0.6
213040	Non-hydrogen_Atom_Count	36
123242204	Molecular_Weight	114.14
86856	Structure_Complexity	63.5
69833	Exact_Mass	114.104465066
53651707	Hydrogen_Bond_Acceptor_Count	3
54419	Covalent_Unit_Count	1
84141	Exact_Mass	285.018806
57393451	XLogP3-AA	4.5
6433083	Tautomer_Count	4
9601227	XLogP3	1.7
52939724	Hydrogen_Bond_Acceptor_Count	8
54584751	Hydrogen_Bond_Acceptor_Count	7
114829	Exact_Mass	256.07355886
75908	Undefined_Bond_Stereo_Count	0
15683	Hydrogen_Bond_Donor_Count	0
5282706	Defined_Atom_Stereo_Count	0
14453672	Molecular_Weight	114.19
11217523	Defined_Atom_Stereo_Count	2
11309506	Mono_Isotopic_Weight	86.084398327
66908206	Undefined_Bond_Stereo_Count	0
104416	Undefined_Bond_Stereo_Count	0
21322048	TPSA	17.1
15306	Exact_Mass	86.073164938
55416	Undefined_Atom_Stereo_Count	0
10313457	Tautomer_Count	1
72823181	Non-hydrogen_Atom_Count	45
71117	Molecular_Weight	346.4
62232962	Mono_Isotopic_Weight	112.052429494
34303	XLogP3-AA	6.4
66587017	Total_Formal_Charge	0
20056627	Rotatable_Bond_Count	6
54234	Defined_Bond_Stereo_Count	0
58227482	Covalent_Unit_Count	1
71987	Defined_Bond_Stereo_Count	0
40523471	Mono_Isotopic_Weight	347.09397721
125032907	Defined_Atom_Stereo_Count	6
53846422	Non-hydrogen_Atom_Count	30
65576866	Rotatable_Bond_Count	1
65341	Hydrogen_Bond_Donor_Count	1
3003191	Molecular_Weight	324.4
24916843	Structure_Complexity	989
18696579	Isotope_Atom_Count	0
64832	Total_Formal_Charge	0
3611392	Rotatable_Bond_Count	6
14723649	Hydrogen_Bond_Donor_Count	0
694652	Molecular_Weight	329.4
935707	Structure_Complexity	443
1708	Undefined_Atom_Stereo_Count	0
68066	Structure_Complexity	564
12648672	XLogP3-AA	0.4
2482	Hydrogen_Bond_Acceptor_Count	3
57514685	Exact_Mass	684.01028135
92363	Undefined_Bond_Stereo_Count	0
17818	Isotope_Atom_Count	0
19704592	Defined_Bond_Stereo_Count	0
165653078	Isotope_Atom_Count	0
17860191	Undefined_Atom_Stereo_Count	0
12513422	Hydrogen_Bond_Acceptor_Count	1
5281614	XLogP3-AA	2
12536731	TPSA	9.2
6918405	Structure_Complexity	517
66321	Total_Formal_Charge	0
112230	Hydrogen_Bond_Donor_Count	3
179338	Defined_Bond_Stereo_Count	0
8305	Structure_Complexity	400
6328027	Total_Formal_Charge	0
65487	Defined_Atom_Stereo_Count	0
25171662	Defined_Bond_Stereo_Count	0
61785	Hydrogen_Bond_Donor_Count	1
839562	Molecular_Weight	316.4
40549	Undefined_Bond_Stereo_Count	0
14710	Exact_Mass	393.08406
10610	Exact_Mass	358.13511374
68374	Undefined_Bond_Stereo_Count	0
56672297	Exact_Mass	410.16666561
156432753	Defined_Bond_Stereo_Count	0
5338	Exact_Mass	300.06809681
1276	Mono_Isotopic_Weight	297.06709375
2763134	Structure_Complexity	90.5
214	Tautomer_Count	3
50561	TPSA	99.9
50897	Hydrogen_Bond_Donor_Count	0
16218600	Defined_Bond_Stereo_Count	0
129816	Undefined_Atom_Stereo_Count	1
50901	Total_Formal_Charge	0
122073	Hydrogen_Bond_Acceptor_Count	9
23668353	Structure_Complexity	262
53708930	Covalent_Unit_Count	1
65700	Undefined_Bond_Stereo_Count	0
9954739	Covalent_Unit_Count	1
444	Tautomer_Count	2
25246317	Undefined_Atom_Stereo_Count	4
11983193	Rotatable_Bond_Count	12
7987	Undefined_Bond_Stereo_Count	0
2800647	Rotatable_Bond_Count	5
156024996	Undefined_Atom_Stereo_Count	0
42521	Total_Formal_Charge	0
53717135	XLogP3-AA	2.1
6443013	Rotatable_Bond_Count	14
11240435	Defined_Bond_Stereo_Count	0
14456889	Hydrogen_Bond_Donor_Count	2
88520001	XLogP3-AA	5.1
601293	Rotatable_Bond_Count	1
25217563	TPSA	70.7
9847	XLogP3-AA	1.2
6917865	Hydrogen_Bond_Acceptor_Count	5
121207426	Structure_Complexity	165
71986	Isotope_Atom_Count	0
7986	Mono_Isotopic_Weight	314.24570956
46936405	Mono_Isotopic_Weight	316.07022733
154416437	Hydrogen_Bond_Acceptor_Count	1
19161	Total_Formal_Charge	0
5695	Molecular_Weight	643.4
12202794	Mono_Isotopic_Weight	115.063328530
5320250	Undefined_Bond_Stereo_Count	0
160743752	Defined_Bond_Stereo_Count	0
46552	Defined_Bond_Stereo_Count	0
15677238	Undefined_Bond_Stereo_Count	0
46916694	Exact_Mass	432.15460314
11617	Undefined_Atom_Stereo_Count	0
116161184	Covalent_Unit_Count	1
58501	Exact_Mass	378.173213330
12579106	Covalent_Unit_Count	1
88483174	Rotatable_Bond_Count	3
5384200	Undefined_Atom_Stereo_Count	0
40376	Tautomer_Count	1
16186010	Defined_Bond_Stereo_Count	0
13632	Mono_Isotopic_Weight	141.115364102
8747	Hydrogen_Bond_Acceptor_Count	2
22796701	Isotope_Atom_Count	0
443101	Non-hydrogen_Atom_Count	34
100984821	Hydrogen_Bond_Donor_Count	5
93301	Total_Formal_Charge	0
11970252	Mono_Isotopic_Weight	342.11621151
50912739	Structure_Complexity	3140
693959	Rotatable_Bond_Count	3
6337	Tautomer_Count	1
64819	Non-hydrogen_Atom_Count	85
10080320	Covalent_Unit_Count	1
90658992	Isotope_Atom_Count	0
7784	Exact_Mass	258.18310931
15789550	Exact_Mass	101.084063974
402827	Defined_Bond_Stereo_Count	0
122051	Hydrogen_Bond_Acceptor_Count	1
57411983	XLogP3-AA	2.3
21635382	Undefined_Bond_Stereo_Count	0
12435	Tautomer_Count	2
2723816	Mono_Isotopic_Weight	96.01872368
6921821	Undefined_Bond_Stereo_Count	0
83946	Rotatable_Bond_Count	7
6978	Structure_Complexity	155
13037934	Undefined_Atom_Stereo_Count	2
74802	Mono_Isotopic_Weight	148.027277375
170317	Mono_Isotopic_Weight	349.1000197
31657	Non-hydrogen_Atom_Count	14
23727689	Hydrogen_Bond_Donor_Count	1
123801117	Exact_Mass	110.109550447
2723671	Rotatable_Bond_Count	12
55290394	Exact_Mass	113.047678466
103648	Undefined_Bond_Stereo_Count	0
48080	Defined_Atom_Stereo_Count	0
30976	Mono_Isotopic_Weight	150.06539422
34192	Rotatable_Bond_Count	5
452498	TPSA	143
68780878	Mono_Isotopic_Weight	398.17427596
7646	Undefined_Bond_Stereo_Count	0
19822625	Defined_Atom_Stereo_Count	0
129866077	Hydrogen_Bond_Donor_Count	11
71416538	Isotope_Atom_Count	0
66978	Defined_Atom_Stereo_Count	0
3710788	Undefined_Atom_Stereo_Count	0
5284527	Defined_Atom_Stereo_Count	3
107214	TPSA	35.5
5489948	Defined_Atom_Stereo_Count	2
86278352	Defined_Atom_Stereo_Count	1
969462	Isotope_Atom_Count	0
3658056	Total_Formal_Charge	0
6426	Hydrogen_Bond_Acceptor_Count	2
3480138	Non-hydrogen_Atom_Count	36
3661	Non-hydrogen_Atom_Count	21
18622372	Undefined_Bond_Stereo_Count	0
164912	Undefined_Atom_Stereo_Count	0
9828138	Hydrogen_Bond_Donor_Count	3
10813807	Undefined_Bond_Stereo_Count	0
537505	Rotatable_Bond_Count	1
16760374	TPSA	324
154112533	Defined_Atom_Stereo_Count	0
20055509	Undefined_Bond_Stereo_Count	0
158524	XLogP3-AA	6
968472	Defined_Atom_Stereo_Count	0
15561101	Isotope_Atom_Count	0
80472094	Undefined_Bond_Stereo_Count	0
6976	Isotope_Atom_Count	0
3940691	Exact_Mass	224.06847348
694052	TPSA	111
6951123	Exact_Mass	145.110278721
136085	Covalent_Unit_Count	1
135524781	Covalent_Unit_Count	5
15213029	TPSA	38.6
71270	Undefined_Atom_Stereo_Count	2
7525	Tautomer_Count	1
12452576	Non-hydrogen_Atom_Count	6
85356809	Molecular_Weight	116.11
6537099	Structure_Complexity	326
11635763	Undefined_Atom_Stereo_Count	1
916113	Structure_Complexity	506
162918376	Undefined_Atom_Stereo_Count	0
36688117	Rotatable_Bond_Count	5
75605138	Hydrogen_Bond_Donor_Count	2
16653	Mono_Isotopic_Weight	187.10308534
7422	Total_Formal_Charge	0
77317	Defined_Atom_Stereo_Count	0
5368831	Molecular_Weight	138.16
54688683	Hydrogen_Bond_Donor_Count	9
12502855	Total_Formal_Charge	0
11345692	Covalent_Unit_Count	2
3034023	Structure_Complexity	356
6209	Total_Formal_Charge	0
444182	Covalent_Unit_Count	1
261790	Tautomer_Count	1
6597	Non-hydrogen_Atom_Count	6
8103	Structure_Complexity	27.4
51762	XLogP3-AA	4.4
653145	Defined_Bond_Stereo_Count	0
19768091	Rotatable_Bond_Count	2
9798547	TPSA	54.5
129785733	Structure_Complexity	96.3
53822679	Structure_Complexity	76.1
12817963	Rotatable_Bond_Count	0
158553	TPSA	333
77338	Undefined_Atom_Stereo_Count	0
519907	Covalent_Unit_Count	1
122361564	XLogP3-AA	5.9
40894	Isotope_Atom_Count	0
13166771	Hydrogen_Bond_Donor_Count	0
129876172	Rotatable_Bond_Count	4
133886	Isotope_Atom_Count	0
72253	Total_Formal_Charge	0
123991	Covalent_Unit_Count	1
459140	Molecular_Weight	314.3
54575456	TPSA	167
3769881	Hydrogen_Bond_Donor_Count	1
449223	Structure_Complexity	474
19884375	Defined_Atom_Stereo_Count	0
5702609	Undefined_Bond_Stereo_Count	0
123891134	Covalent_Unit_Count	1
88631	Undefined_Atom_Stereo_Count	0
6539039	Total_Formal_Charge	0
41	Isotope_Atom_Count	0
6437356	Undefined_Atom_Stereo_Count	1
151746651	Undefined_Atom_Stereo_Count	0
93009	Molecular_Weight	196.29
46225290	Total_Formal_Charge	0
87518	Non-hydrogen_Atom_Count	12
98889	Defined_Bond_Stereo_Count	0
3239844	Covalent_Unit_Count	1
10423	Mono_Isotopic_Weight	58.041864811
22385	Hydrogen_Bond_Acceptor_Count	0
11564168	Defined_Bond_Stereo_Count	0
83735	Undefined_Atom_Stereo_Count	0
5488345	Isotope_Atom_Count	0
70610	Rotatable_Bond_Count	5
140147	Molecular_Weight	96.13
41743	Defined_Bond_Stereo_Count	0
65370	Rotatable_Bond_Count	13
54676038	Non-hydrogen_Atom_Count	25
435439	Non-hydrogen_Atom_Count	51
15535273	Covalent_Unit_Count	1
60200126	Undefined_Bond_Stereo_Count	0
70851	Covalent_Unit_Count	1
4914117	Molecular_Weight	258.30
820	Hydrogen_Bond_Donor_Count	19
12695618	Rotatable_Bond_Count	0
2723800	Mono_Isotopic_Weight	350.1298243
13023558	Undefined_Bond_Stereo_Count	0
6403	Undefined_Atom_Stereo_Count	0
93154	Undefined_Atom_Stereo_Count	1
853433	Non-hydrogen_Atom_Count	12
11442891	Hydrogen_Bond_Donor_Count	2
5329103	XLogP3-AA	3.2
334	Non-hydrogen_Atom_Count	29
83053	Non-hydrogen_Atom_Count	15
447360	Hydrogen_Bond_Acceptor_Count	6
12284127	Undefined_Bond_Stereo_Count	0
9928397	Hydrogen_Bond_Donor_Count	1
135449284	Undefined_Atom_Stereo_Count	3
18980923	Non-hydrogen_Atom_Count	7
18428533	Undefined_Bond_Stereo_Count	0
23616857	Defined_Bond_Stereo_Count	0
621174	Covalent_Unit_Count	1
3376	Defined_Atom_Stereo_Count	0
16217852	Exact_Mass	125.047678466
123664524	Total_Formal_Charge	0
11597	Defined_Bond_Stereo_Count	0
2603	Undefined_Bond_Stereo_Count	0
581676	Mono_Isotopic_Weight	289.16779360
83465	Defined_Bond_Stereo_Count	0
13968540	Isotope_Atom_Count	0
9883002	Molecular_Weight	306.4
57465453	Isotope_Atom_Count	0
91773	Rotatable_Bond_Count	4
643	Molecular_Weight	214.26
12766	Hydrogen_Bond_Donor_Count	1
7772	Hydrogen_Bond_Donor_Count	0
90444	Total_Formal_Charge	0
92877	Mono_Isotopic_Weight	276.245315640
9871419	XLogP3-AA	2
33515	Hydrogen_Bond_Donor_Count	0
15942852	Hydrogen_Bond_Acceptor_Count	3
6857732	Defined_Atom_Stereo_Count	8
5359541	Hydrogen_Bond_Acceptor_Count	0
12603004	Undefined_Atom_Stereo_Count	0
5311283	Undefined_Atom_Stereo_Count	1
198429	TPSA	163
5329102	Hydrogen_Bond_Donor_Count	3
25526	Covalent_Unit_Count	1
66409	Molecular_Weight	426.6
839611	Molecular_Weight	313.35
5281612	Defined_Atom_Stereo_Count	0
7438	Covalent_Unit_Count	1
5223	Undefined_Bond_Stereo_Count	4
62695	Undefined_Bond_Stereo_Count	0
16543	Rotatable_Bond_Count	0
110373	Non-hydrogen_Atom_Count	8
21943994	Hydrogen_Bond_Acceptor_Count	11
93146	Covalent_Unit_Count	1
10246085	Total_Formal_Charge	0
91270	Hydrogen_Bond_Acceptor_Count	8
57304791	Undefined_Bond_Stereo_Count	0
102004403	Hydrogen_Bond_Donor_Count	11
12339648	Covalent_Unit_Count	1
701923	Defined_Atom_Stereo_Count	1
60196405	Structure_Complexity	606
21996040	Exact_Mass	114.104465066
2724552	Undefined_Atom_Stereo_Count	0
213039	Exact_Mass	547.23522170
12721	Undefined_Atom_Stereo_Count	0
11294	Total_Formal_Charge	0
90774590	Defined_Atom_Stereo_Count	0
2724640	Hydrogen_Bond_Donor_Count	2
71391	Defined_Bond_Stereo_Count	0
21914607	Undefined_Bond_Stereo_Count	0
6858240	Tautomer_Count	6
3955344	Exact_Mass	341.98101801
436520	Tautomer_Count	1
36605	Covalent_Unit_Count	2
45358001	Total_Formal_Charge	0
74736	Defined_Bond_Stereo_Count	0
19067730	Structure_Complexity	94
3733	Non-hydrogen_Atom_Count	50
6918405	Rotatable_Bond_Count	9
20884	Tautomer_Count	1
53393738	Molecular_Weight	266.0
2939	Molecular_Weight	464.15
119097490	Mono_Isotopic_Weight	114.068079557
69705	Structure_Complexity	95.7
150723740	Isotope_Atom_Count	0
57399909	XLogP3-AA	5.2
672296	Rotatable_Bond_Count	1
10217663	TPSA	77
42761	Isotope_Atom_Count	0
16227342	Structure_Complexity	116
3440	Total_Formal_Charge	0
22137188	Total_Formal_Charge	0
248703	Molecular_Weight	248.28
12586	Hydrogen_Bond_Donor_Count	0
24762	Undefined_Atom_Stereo_Count	0
5213	Total_Formal_Charge	0
70686373	Hydrogen_Bond_Acceptor_Count	6
90613	Non-hydrogen_Atom_Count	16
5287792	Isotope_Atom_Count	0
148244549	TPSA	41.8
137326482	Undefined_Atom_Stereo_Count	0
22889103	Isotope_Atom_Count	0
93542	Rotatable_Bond_Count	5
59221	Total_Formal_Charge	0
61126	Covalent_Unit_Count	1
74346	Defined_Atom_Stereo_Count	0
12302681	Structure_Complexity	382
92158	Tautomer_Count	2
16989	Total_Formal_Charge	0
500460	Hydrogen_Bond_Donor_Count	0
14040	Total_Formal_Charge	0
117852135	Non-hydrogen_Atom_Count	28
43678	Undefined_Bond_Stereo_Count	1
14020437	Structure_Complexity	80.2
135458645	Defined_Bond_Stereo_Count	0
66813914	TPSA	95.5
71311204	Molecular_Weight	376.95
34049	Hydrogen_Bond_Donor_Count	2
84506	Undefined_Atom_Stereo_Count	0
71365	TPSA	137
448580	Total_Formal_Charge	0
78131	Rotatable_Bond_Count	2
72114	TPSA	40.6
163872483	Isotope_Atom_Count	0
5388962	Covalent_Unit_Count	1
135974	TPSA	0
80900	Covalent_Unit_Count	1
20511	Isotope_Atom_Count	0
26890	Rotatable_Bond_Count	7
682	Molecular_Weight	195.17
55286482	Molecular_Weight	114.10
92174	Defined_Bond_Stereo_Count	0
1549097	Undefined_Atom_Stereo_Count	0
31679	Non-hydrogen_Atom_Count	30
11379	Defined_Bond_Stereo_Count	0
9869776	Isotope_Atom_Count	0
8992	Defined_Atom_Stereo_Count	0
161664	Mono_Isotopic_Weight	439.36615904
10438	Rotatable_Bond_Count	2
131634493	Isotope_Atom_Count	0
49866945	Molecular_Weight	663.3
21465770	TPSA	37.3
6654	Non-hydrogen_Atom_Count	10
9741	Structure_Complexity	64.9
88867195	Non-hydrogen_Atom_Count	8
5104	Mono_Isotopic_Weight	262.941106
13583	TPSA	26
165609608	Rotatable_Bond_Count	2
61184	Molecular_Weight	130.18
22934413	Covalent_Unit_Count	1
3082717	Isotope_Atom_Count	0
67124	Non-hydrogen_Atom_Count	21
24809526	Molecular_Weight	373.4
72131	Defined_Atom_Stereo_Count	5
7292	Covalent_Unit_Count	1
68901	XLogP3-AA	0.6
445575	Structure_Complexity	609
583941	Rotatable_Bond_Count	2
182951	Molecular_Weight	413.2
25144864	Non-hydrogen_Atom_Count	78
72307	Defined_Bond_Stereo_Count	0
38350	Isotope_Atom_Count	0
91414	Undefined_Atom_Stereo_Count	0
40931	XLogP3-AA	6.7
5311064	Hydrogen_Bond_Acceptor_Count	5
90206	Mono_Isotopic_Weight	294.20423867
11876	Tautomer_Count	2
12922658	Mono_Isotopic_Weight	581.35638220
123561422	Molecular_Weight	86.14
29778	Hydrogen_Bond_Donor_Count	1
17833	Tautomer_Count	1
11313	Rotatable_Bond_Count	5
33782	Structure_Complexity	415
66569	Molecular_Weight	160.17
5281881	Defined_Bond_Stereo_Count	1
7659	Defined_Bond_Stereo_Count	0
10131269	Defined_Atom_Stereo_Count	2
21772	Covalent_Unit_Count	1
11789150	Covalent_Unit_Count	1
7098617	Isotope_Atom_Count	0
9884833	XLogP3-AA	3.2
53424410	Rotatable_Bond_Count	1
12681	Undefined_Atom_Stereo_Count	0
2794811	Total_Formal_Charge	0
4666	Undefined_Atom_Stereo_Count	11
88890027	Hydrogen_Bond_Donor_Count	0
6995749	Undefined_Bond_Stereo_Count	0
38286	Tautomer_Count	2
6924	Undefined_Bond_Stereo_Count	0
2763080	XLogP3-AA	0.3
123223196	TPSA	29.5
70510	Tautomer_Count	7
30020	Exact_Mass	130.099379685
10414810	Mono_Isotopic_Weight	536.13412551
3667129	Rotatable_Bond_Count	2
7088	Defined_Bond_Stereo_Count	0
94599	Total_Formal_Charge	0
74441087	Total_Formal_Charge	1
13040869	Covalent_Unit_Count	1
54677946	Defined_Atom_Stereo_Count	0
81056	XLogP3	2
16683023	Defined_Atom_Stereo_Count	0
71583377	Undefined_Atom_Stereo_Count	0
80871	Covalent_Unit_Count	1
137349957	Molecular_Weight	885.4
177085	Undefined_Atom_Stereo_Count	0
110964	Defined_Bond_Stereo_Count	0
164930	Hydrogen_Bond_Donor_Count	0
4627783	Exact_Mass	112.088815002
446541	Defined_Bond_Stereo_Count	1
123806389	Total_Formal_Charge	0
9727	Mono_Isotopic_Weight	151.099714038
24867472	Defined_Atom_Stereo_Count	4
5248373	Mono_Isotopic_Weight	114.115698455
91427979	Hydrogen_Bond_Acceptor_Count	0
102513886	TPSA	50
13203950	Total_Formal_Charge	0
29934831	Non-hydrogen_Atom_Count	29
20568258	Rotatable_Bond_Count	3
3388	Undefined_Atom_Stereo_Count	0
139061105	Total_Formal_Charge	0
52942212	Exact_Mass	443.12683226
71277	Molecular_Weight	790.0
129794341	Undefined_Bond_Stereo_Count	0
25242	Covalent_Unit_Count	1
10630446	Molecular_Weight	100.12
201136	Defined_Bond_Stereo_Count	0
7668	Total_Formal_Charge	0
83556	Molecular_Weight	364.0
1245	TPSA	87
65106	Undefined_Atom_Stereo_Count	0
417875	Molecular_Weight	112.09
74080	Hydrogen_Bond_Acceptor_Count	2
6279	Undefined_Atom_Stereo_Count	0
30590	XLogP3-AA	4.8
46187519	XLogP3-AA	4.6
44126083	Molecular_Weight	391.5
66764517	Structure_Complexity	97.5
95069	Non-hydrogen_Atom_Count	17
133635911	XLogP3-AA	4
6324599	Hydrogen_Bond_Donor_Count	1
43331	Defined_Atom_Stereo_Count	0
11518241	Structure_Complexity	647
319954	Defined_Atom_Stereo_Count	0
2710	Exact_Mass	300.1393264
10989	Total_Formal_Charge	0
847313	Exact_Mass	296.09431156
6604122	Non-hydrogen_Atom_Count	27
98032	Molecular_Weight	238.28
23083536	Defined_Bond_Stereo_Count	0
15789248	Total_Formal_Charge	0
6785	Hydrogen_Bond_Acceptor_Count	6
409836	Rotatable_Bond_Count	4
27891	Structure_Complexity	272
13764	Mono_Isotopic_Weight	275.05422040
57395973	Undefined_Bond_Stereo_Count	0
5328940	Isotope_Atom_Count	0
14791281	Defined_Bond_Stereo_Count	0
16760153	TPSA	43.4
20949	Hydrogen_Bond_Donor_Count	1
449035	Mono_Isotopic_Weight	299.12699141
31005	TPSA	18.5
148401	Structure_Complexity	34.8
11167	Defined_Bond_Stereo_Count	0
14194342	TPSA	66.8
11712071	Non-hydrogen_Atom_Count	32
19782027	Defined_Bond_Stereo_Count	0
21483017	Structure_Complexity	100
14078849	XLogP3-AA	4
129887798	TPSA	32.3
2737121	Defined_Bond_Stereo_Count	0
156497240	Covalent_Unit_Count	1
19398	Non-hydrogen_Atom_Count	19
71622	Structure_Complexity	612
8291	Non-hydrogen_Atom_Count	18
77907	Rotatable_Bond_Count	2
64302	Total_Formal_Charge	0
3315	Molecular_Weight	872.9
3321	Total_Formal_Charge	0
83832	Defined_Atom_Stereo_Count	0
10269854	TPSA	107
20838085	Hydrogen_Bond_Donor_Count	3
16007393	Isotope_Atom_Count	0
79241	Rotatable_Bond_Count	5
14982	XLogP3-AA	3.7
25915	Exact_Mass	122.084398327
80065	Hydrogen_Bond_Donor_Count	2
17358	TPSA	1
4120	XLogP3-AA	1.3
23712863	Hydrogen_Bond_Donor_Count	0
3055168	Covalent_Unit_Count	1
25185	Molecular_Weight	168.28
443239	Hydrogen_Bond_Acceptor_Count	6
3085281	Mono_Isotopic_Weight	752.77339506
57400037	Exact_Mass	434.05538
10057477	Rotatable_Bond_Count	0
2921148	Rotatable_Bond_Count	2
74517	Tautomer_Count	1
44149909	Molecular_Weight	691.9
99058	Tautomer_Count	10
136490	Exact_Mass	96.057514874
58550597	Molecular_Weight	96.13
54144657	Undefined_Bond_Stereo_Count	1
8194	XLogP3-AA	4.9
69333782	TPSA	45.2
22899343	Isotope_Atom_Count	0
28369	Exact_Mass	126.068079557
12275362	Non-hydrogen_Atom_Count	8
61960	Molecular_Weight	374.6
149437349	Undefined_Bond_Stereo_Count	0
85773920	Exact_Mass	100.052429494
11388558	Rotatable_Bond_Count	5
73854	Isotope_Atom_Count	0
11433190	Undefined_Bond_Stereo_Count	0
711	TPSA	201
13918	Hydrogen_Bond_Acceptor_Count	1
122874	Structure_Complexity	152
28284151	Covalent_Unit_Count	1
9984488	Rotatable_Bond_Count	4
536683	Defined_Bond_Stereo_Count	0
2684	XLogP3-AA	1.5
62669683	Rotatable_Bond_Count	3
44190035	Undefined_Bond_Stereo_Count	0
11970261	Covalent_Unit_Count	3
2723772	Structure_Complexity	119
5288595	Hydrogen_Bond_Acceptor_Count	9
11681588	Total_Formal_Charge	0
47714	TPSA	50.8
7578	Covalent_Unit_Count	1
11364421	Exact_Mass	521.31143813
5388936	Rotatable_Bond_Count	6
135564890	Undefined_Atom_Stereo_Count	0
71624580	XLogP3-AA	1.7
68078	XLogP3-AA	4.7
19543	Isotope_Atom_Count	0
11589453	Hydrogen_Bond_Donor_Count	1
37854	Hydrogen_Bond_Donor_Count	1
132277953	Isotope_Atom_Count	0
47640	Hydrogen_Bond_Acceptor_Count	1
10796703	Isotope_Atom_Count	0
71346	Undefined_Bond_Stereo_Count	0
11648276	Structure_Complexity	636
44627	Hydrogen_Bond_Acceptor_Count	3
5702285	Mono_Isotopic_Weight	263.0843696
12830097	Rotatable_Bond_Count	4
68868	Covalent_Unit_Count	1
1714204	Isotope_Atom_Count	0
84589	Rotatable_Bond_Count	15
6433091	Hydrogen_Bond_Donor_Count	1
67809	Defined_Bond_Stereo_Count	0
54757474	Defined_Atom_Stereo_Count	0
9819043	Hydrogen_Bond_Donor_Count	4
11065	Non-hydrogen_Atom_Count	22
9812710	Covalent_Unit_Count	2
638278	TPSA	77.8
74242	Rotatable_Bond_Count	1
548521	XLogP3-AA	0.4
9818287	Rotatable_Bond_Count	6
105166	Non-hydrogen_Atom_Count	1
10176082	Non-hydrogen_Atom_Count	4
688563	Total_Formal_Charge	0
10184774	Structure_Complexity	731
170249	Undefined_Bond_Stereo_Count	0
3085877	Structure_Complexity	227
19354187	Structure_Complexity	91.9
145278326	Defined_Atom_Stereo_Count	0
3126	Hydrogen_Bond_Donor_Count	3
72385	Covalent_Unit_Count	1
18755331	Molecular_Weight	88.11
59772010	Isotope_Atom_Count	0
70688570	Molecular_Weight	385.4
53873	Hydrogen_Bond_Acceptor_Count	2
58071	XLogP3-AA	2.7
3081938	Structure_Complexity	417
40510	Undefined_Atom_Stereo_Count	0
2532	Defined_Bond_Stereo_Count	0
71517699	Rotatable_Bond_Count	5
10291131	Undefined_Atom_Stereo_Count	0
11227182	Undefined_Atom_Stereo_Count	0
5319880	Isotope_Atom_Count	0
7287	Defined_Bond_Stereo_Count	0
135472943	Total_Formal_Charge	0
146157761	Hydrogen_Bond_Donor_Count	3
46195832	XLogP3	0.4
54022694	Covalent_Unit_Count	1
117807974	Defined_Bond_Stereo_Count	0
137553932	Mono_Isotopic_Weight	354.15646954
16957	Molecular_Weight	406.5
8006	XLogP3-AA	1.9
573419	Molecular_Weight	110.11
3776755	Structure_Complexity	144
9833652	Total_Formal_Charge	0
3017748	Tautomer_Count	1
10683	Tautomer_Count	2
681809	Defined_Bond_Stereo_Count	0
17900281	Rotatable_Bond_Count	2
71733	Structure_Complexity	287
28561	Mono_Isotopic_Weight	177.03606841
101755686	Mono_Isotopic_Weight	977.52483213
67495	Isotope_Atom_Count	0
32091	Isotope_Atom_Count	0
72765870	Rotatable_Bond_Count	1
10282265	Isotope_Atom_Count	0
44242317	Non-hydrogen_Atom_Count	42
637894	Non-hydrogen_Atom_Count	7
6917871	Structure_Complexity	1100
13597991	Isotope_Atom_Count	0
137941	Non-hydrogen_Atom_Count	8
524655	Non-hydrogen_Atom_Count	7
73720	Undefined_Atom_Stereo_Count	0
51622	Total_Formal_Charge	0
135596593	Defined_Atom_Stereo_Count	5
8508	Hydrogen_Bond_Acceptor_Count	7
7098617	Structure_Complexity	382
234237	Isotope_Atom_Count	0
13003479	Undefined_Atom_Stereo_Count	2
7791	Hydrogen_Bond_Donor_Count	1
17776820	Exact_Mass	110.109550447
11315474	Defined_Bond_Stereo_Count	0
88406	Total_Formal_Charge	0
9901	Mono_Isotopic_Weight	312.208930132
151318	Mono_Isotopic_Weight	294.99747
5496540	Hydrogen_Bond_Donor_Count	22
446495	Isotope_Atom_Count	0
64456	Exact_Mass	224.13471982
479307	TPSA	52
10096946	Structure_Complexity	780
86790	Non-hydrogen_Atom_Count	7
6971097	Exact_Mass	180.06338810
19420003	Rotatable_Bond_Count	1
56737	TPSA	106
27686	Hydrogen_Bond_Acceptor_Count	11
5315472	Exact_Mass	308.10485899
11815284	Defined_Atom_Stereo_Count	0
171284	Hydrogen_Bond_Acceptor_Count	13
57357187	TPSA	86.7
10303	Covalent_Unit_Count	1
22053930	Hydrogen_Bond_Acceptor_Count	2
11660192	Tautomer_Count	8
3093785	Non-hydrogen_Atom_Count	17
23	Undefined_Atom_Stereo_Count	0
59248882	Mono_Isotopic_Weight	631.24807216
5459124	Undefined_Bond_Stereo_Count	0
21650627	Structure_Complexity	122
8713	Mono_Isotopic_Weight	125.02992040
84647654	Mono_Isotopic_Weight	111.068413911
10909564	Isotope_Atom_Count	0
686073	Undefined_Bond_Stereo_Count	0
69677	Mono_Isotopic_Weight	134.00918253
89187987	Defined_Atom_Stereo_Count	0
5329020	Hydrogen_Bond_Acceptor_Count	8
11319217	Structure_Complexity	1020
456204	XLogP3-AA	1.9
58291777	Total_Formal_Charge	0
129826699	Defined_Bond_Stereo_Count	0
91021644	Structure_Complexity	149
398596	Undefined_Bond_Stereo_Count	0
6604498	Undefined_Bond_Stereo_Count	0
19428628	Isotope_Atom_Count	0
85865	Hydrogen_Bond_Donor_Count	1
11434920	Total_Formal_Charge	0
49849523	Isotope_Atom_Count	3
70819549	Exact_Mass	330.13848159
90698789	Structure_Complexity	68
131082430	Covalent_Unit_Count	1
139771583	Undefined_Bond_Stereo_Count	0
4683067	Undefined_Bond_Stereo_Count	0
54316980	Total_Formal_Charge	0
2764874	Covalent_Unit_Count	1
5391	Undefined_Atom_Stereo_Count	1
102372243	Hydrogen_Bond_Acceptor_Count	3
16083167	Undefined_Bond_Stereo_Count	0
9576891	Total_Formal_Charge	0
71311382	TPSA	17.1
15528723	Undefined_Bond_Stereo_Count	0
11399084	Undefined_Bond_Stereo_Count	0
40785065	Mono_Isotopic_Weight	404.25627424
98306	Undefined_Bond_Stereo_Count	1
71750923	Isotope_Atom_Count	0
12082850	Hydrogen_Bond_Donor_Count	5
12260467	Exact_Mass	109.089149355
19905962	Non-hydrogen_Atom_Count	8
135942119	Exact_Mass	533.98283616
102233552	Undefined_Atom_Stereo_Count	0
140554	Covalent_Unit_Count	1
67376285	Rotatable_Bond_Count	5
103609	Undefined_Bond_Stereo_Count	0
317061	Covalent_Unit_Count	1
96396	Molecular_Weight	174.24
27058	Undefined_Bond_Stereo_Count	0
469717	Undefined_Bond_Stereo_Count	0
21159502	Undefined_Bond_Stereo_Count	0
11476467	Undefined_Bond_Stereo_Count	0
13532837	Total_Formal_Charge	0
8749	XLogP3	1.8
10220511	Defined_Atom_Stereo_Count	0
24203	Mono_Isotopic_Weight	141.94078407
51380895	Hydrogen_Bond_Donor_Count	1
132327702	Undefined_Bond_Stereo_Count	0
11829397	Mono_Isotopic_Weight	114.068079557
21583979	Rotatable_Bond_Count	0
6439929	XLogP3-AA	3.9
60789	Undefined_Atom_Stereo_Count	0
10953453	Defined_Atom_Stereo_Count	0
88273595	Molecular_Weight	116.12
67678949	Exact_Mass	114.068079557
9577585	Hydrogen_Bond_Donor_Count	1
4919	Hydrogen_Bond_Donor_Count	1
438	Isotope_Atom_Count	0
439306	Undefined_Atom_Stereo_Count	3
6437380	Undefined_Bond_Stereo_Count	0
71308614	Rotatable_Bond_Count	18
134593	Mono_Isotopic_Weight	115.026943022
12493366	Total_Formal_Charge	0
137138801	Isotope_Atom_Count	0
5365332	Exact_Mass	101.084063974
609492	TPSA	12.9
2724372	Hydrogen_Bond_Donor_Count	1
617614	Hydrogen_Bond_Donor_Count	1
561780	XLogP3-AA	2.5
48918	Undefined_Bond_Stereo_Count	0
90148216	Undefined_Bond_Stereo_Count	0
84979	Defined_Atom_Stereo_Count	0
60931	Molecular_Weight	393.5
853433	Exact_Mass	164.083729621
24411	Hydrogen_Bond_Donor_Count	0
69188	Tautomer_Count	1
10154060	Defined_Atom_Stereo_Count	0
164330	Hydrogen_Bond_Donor_Count	12
6369	Hydrogen_Bond_Donor_Count	0
20243737	Hydrogen_Bond_Acceptor_Count	1
58207	Defined_Atom_Stereo_Count	0
20485709	Mono_Isotopic_Weight	109.052763847
6433402	Undefined_Bond_Stereo_Count	0
265520	Covalent_Unit_Count	1
163285965	Isotope_Atom_Count	0
1221	Covalent_Unit_Count	1
3017698	Rotatable_Bond_Count	4
71195	Total_Formal_Charge	0
66558664	Non-hydrogen_Atom_Count	42
6509724	Mono_Isotopic_Weight	534.2132792
43457	Rotatable_Bond_Count	4
3793749	Defined_Bond_Stereo_Count	0
22016536	Mono_Isotopic_Weight	424.25733687
10214378	Exact_Mass	86.036779430
642325	Covalent_Unit_Count	1
2978	TPSA	29.5
17961316	Exact_Mass	101.047678466
9817381	Isotope_Atom_Count	0
11061	Hydrogen_Bond_Acceptor_Count	3
18442760	Defined_Atom_Stereo_Count	0
159325	Tautomer_Count	1
566136	Mono_Isotopic_Weight	112.088815002
700865	XLogP3-AA	3.3
13586013	Defined_Atom_Stereo_Count	0
9229	Total_Formal_Charge	0
3388301	TPSA	49.4
72149	Defined_Atom_Stereo_Count	0
68016	Rotatable_Bond_Count	1
5283339	Hydrogen_Bond_Acceptor_Count	1
134925337	Defined_Bond_Stereo_Count	0
71451733	Rotatable_Bond_Count	4
3668575	Non-hydrogen_Atom_Count	21
3052772	Structure_Complexity	412
71397	Total_Formal_Charge	0
556998	Defined_Bond_Stereo_Count	0
6436173	Covalent_Unit_Count	1
10286	Defined_Bond_Stereo_Count	0
107775	Undefined_Bond_Stereo_Count	0
13260750	XLogP3-AA	0.6
10297008	Mono_Isotopic_Weight	440.12667431
54393203	Undefined_Atom_Stereo_Count	0
2580	Hydrogen_Bond_Acceptor_Count	4
74405857	Mono_Isotopic_Weight	366.05554326
60096125	TPSA	35.3
148546155	Defined_Bond_Stereo_Count	0
79081	Tautomer_Count	1
4199	Molecular_Weight	298.4
3917956	Mono_Isotopic_Weight	199.93472
100934359	Structure_Complexity	96.4
6456	Molecular_Weight	278.8
88983603	Non-hydrogen_Atom_Count	7
65923	Total_Formal_Charge	0
141024055	Covalent_Unit_Count	1
85491	Hydrogen_Bond_Donor_Count	1
21789	Hydrogen_Bond_Acceptor_Count	2
13685810	Undefined_Atom_Stereo_Count	1
20289356	Hydrogen_Bond_Acceptor_Count	3
1250	Rotatable_Bond_Count	0
67805120	Exact_Mass	96.093900383
3283968	Defined_Atom_Stereo_Count	0
44644	Tautomer_Count	1
528612	Exact_Mass	113.084063974
53323371	Undefined_Bond_Stereo_Count	0
44925	Tautomer_Count	1
80	Molecular_Weight	172.13
1050	Mono_Isotopic_Weight	167.058243149
143686076	Structure_Complexity	90.2
994	Rotatable_Bond_Count	3
12202791	Isotope_Atom_Count	0
3016754	Rotatable_Bond_Count	7
46885189	XLogP3-AA	3
409	XLogP3-AA	0.7
18622348	Rotatable_Bond_Count	1
25154249	Defined_Bond_Stereo_Count	0
37271	XLogP3-AA	0.9
70783	Isotope_Atom_Count	0
130368	Covalent_Unit_Count	1
49985	Tautomer_Count	1
17475	TPSA	29.1
132035918	Rotatable_Bond_Count	0
192435	TPSA	190
17455	TPSA	74.6
163727	Mono_Isotopic_Weight	235.0279174
208832	Rotatable_Bond_Count	7
118193	Total_Formal_Charge	0
9549303	Defined_Bond_Stereo_Count	0
815863	Defined_Atom_Stereo_Count	0
3080818	Structure_Complexity	373
124173720	Hydrogen_Bond_Acceptor_Count	8
83287	XLogP3-AA	3.6
10532	Mono_Isotopic_Weight	535.17221
135882	Non-hydrogen_Atom_Count	18
44230575	XLogP3-AA	1.8
225564	TPSA	20.2
8797	Covalent_Unit_Count	1
1023	Hydrogen_Bond_Donor_Count	4
160	TPSA	98
121231162	Rotatable_Bond_Count	16
12518095	Undefined_Atom_Stereo_Count	0
3814	Isotope_Atom_Count	0
8333	Hydrogen_Bond_Acceptor_Count	2
22979	Mono_Isotopic_Weight	487.11279790
10115	XLogP3-AA	11.5
688510	Covalent_Unit_Count	1
12068306	Exact_Mass	94.078250319
53595	Molecular_Weight	687.8
76997	TPSA	18.5
3037886	Molecular_Weight	231.33
7779	Molecular_Weight	182.26
18439449	Mono_Isotopic_Weight	115.063328530
24916897	Molecular_Weight	508.7
283654	Mono_Isotopic_Weight	264.13615911
61140	Mono_Isotopic_Weight	136.0291072
124514	Rotatable_Bond_Count	3
53477781	Rotatable_Bond_Count	12
146159220	Covalent_Unit_Count	1
6478035	Tautomer_Count	2
28346	Hydrogen_Bond_Donor_Count	1
6058	Undefined_Atom_Stereo_Count	0
13315542	XLogP3-AA	3.1
12171	Undefined_Atom_Stereo_Count	0
70500258	Hydrogen_Bond_Acceptor_Count	3
16162116	Hydrogen_Bond_Donor_Count	42
6432729	Undefined_Bond_Stereo_Count	0
135743681	Rotatable_Bond_Count	2
60751	Covalent_Unit_Count	1
5484131	Molecular_Weight	546.6
5280883	Defined_Atom_Stereo_Count	5
437721	Structure_Complexity	91.7
100969894	Exact_Mass	116.083729621
23581832	Total_Formal_Charge	1
54467044	Structure_Complexity	104
16218740	Covalent_Unit_Count	1
10814237	Tautomer_Count	1
636750	Hydrogen_Bond_Donor_Count	0
22977906	Defined_Atom_Stereo_Count	0
603227	Defined_Bond_Stereo_Count	0
54136224	Non-hydrogen_Atom_Count	8
14168316	Isotope_Atom_Count	0
89398913	Non-hydrogen_Atom_Count	10
9955116	Mono_Isotopic_Weight	444.20088463
135408511	Tautomer_Count	16
114129	Non-hydrogen_Atom_Count	10
25132953	Rotatable_Bond_Count	4
6437377	Defined_Atom_Stereo_Count	3
176167	Undefined_Atom_Stereo_Count	0
66323	Undefined_Bond_Stereo_Count	0
59067341	Total_Formal_Charge	0
71365	Hydrogen_Bond_Donor_Count	2
60203	Structure_Complexity	237
40605	TPSA	163
10964588	Hydrogen_Bond_Donor_Count	0
311434	Mono_Isotopic_Weight	311.0672836
12500871	Structure_Complexity	48.1
3045225	Mono_Isotopic_Weight	243.137162174
137808	Molecular_Weight	93.13
88154	TPSA	60.7
219145	Defined_Atom_Stereo_Count	0
449169	Hydrogen_Bond_Donor_Count	2
10271170	Molecular_Weight	380.8
15927	Covalent_Unit_Count	2
2708	Hydrogen_Bond_Acceptor_Count	3
16219	TPSA	3.2
6918558	Hydrogen_Bond_Acceptor_Count	4
443382	Defined_Atom_Stereo_Count	2
8875	Hydrogen_Bond_Acceptor_Count	5
632910	Covalent_Unit_Count	1
165157	Defined_Bond_Stereo_Count	0
11916	Non-hydrogen_Atom_Count	11
69885	Non-hydrogen_Atom_Count	13
468	Exact_Mass	586.31882799
4752	Non-hydrogen_Atom_Count	55
129010082	Undefined_Atom_Stereo_Count	1
54220457	Total_Formal_Charge	0
5352837	Exact_Mass	128.120115130
7320	Total_Formal_Charge	0
24963	Covalent_Unit_Count	3
44603531	Covalent_Unit_Count	1
48920	Undefined_Atom_Stereo_Count	0
53910819	Undefined_Bond_Stereo_Count	1
160312	Undefined_Bond_Stereo_Count	3
22084396	Undefined_Bond_Stereo_Count	0
54758216	Structure_Complexity	741
15920061	Defined_Bond_Stereo_Count	0
13159	Non-hydrogen_Atom_Count	7
54691418	Non-hydrogen_Atom_Count	15
8811	Tautomer_Count	1
11633038	Isotope_Atom_Count	0
115225	Non-hydrogen_Atom_Count	20
182511	Non-hydrogen_Atom_Count	14
70981	Isotope_Atom_Count	0
88322	TPSA	46.9
155903721	Mono_Isotopic_Weight	1347.582715
56283	Molecular_Weight	269.21
9018	Hydrogen_Bond_Donor_Count	1
2723754	Structure_Complexity	229
42231	Undefined_Bond_Stereo_Count	0
441276	Defined_Atom_Stereo_Count	10
62015	Molecular_Weight	407.6
129631468	Total_Formal_Charge	0
68647	TPSA	39.8
16987	Molecular_Weight	252.61
95978	TPSA	26.3
12867691	Mono_Isotopic_Weight	167.073499291
5318042	Mono_Isotopic_Weight	100.088815002
147059143	Undefined_Atom_Stereo_Count	1
7984	Tautomer_Count	2
7455	Isotope_Atom_Count	0
701038	Rotatable_Bond_Count	2
5547	Mono_Isotopic_Weight	478.34469533
23675747	Structure_Complexity	454
12865500	Molecular_Weight	116.16
14359581	Structure_Complexity	92.5
570603	Exact_Mass	106.053098200
24290	Defined_Atom_Stereo_Count	0
9893	XLogP3	0.6
98040	Structure_Complexity	52
61664	Tautomer_Count	3
77405	Covalent_Unit_Count	1
69149458	Undefined_Bond_Stereo_Count	0
47608	Exact_Mass	269.12766012
102234473	Defined_Bond_Stereo_Count	0
292661	Rotatable_Bond_Count	0
10627323	Defined_Atom_Stereo_Count	0
24802493	Non-hydrogen_Atom_Count	43
5311010	TPSA	416
6693	Undefined_Bond_Stereo_Count	0
10592	Rotatable_Bond_Count	2
25059	Defined_Atom_Stereo_Count	0
5816	Molecular_Weight	183.20
85546	Undefined_Bond_Stereo_Count	0
824336	Non-hydrogen_Atom_Count	23
71352766	Non-hydrogen_Atom_Count	20
135410875	TPSA	187
5365055	Undefined_Bond_Stereo_Count	0
55910	Non-hydrogen_Atom_Count	18
31863	Hydrogen_Bond_Acceptor_Count	25
16129682	Hydrogen_Bond_Acceptor_Count	62
251504	Exact_Mass	113.047678466
134990043	Exact_Mass	99.02327524
4160	Hydrogen_Bond_Acceptor_Count	2
5289295	XLogP3-AA	2.3
2734411	Exact_Mass	787.03934194
2109	Defined_Bond_Stereo_Count	0
494023	Covalent_Unit_Count	1
23279022	Exact_Mass	102.115698455
14297260	Rotatable_Bond_Count	0
71674	Defined_Atom_Stereo_Count	29
23543714	Mono_Isotopic_Weight	112.027277375
4521392	Hydrogen_Bond_Acceptor_Count	5
12213511	Structure_Complexity	139
2572037	Hydrogen_Bond_Acceptor_Count	3
85266	Defined_Atom_Stereo_Count	0
3271820	Isotope_Atom_Count	0
7315	Isotope_Atom_Count	0
1353	Hydrogen_Bond_Acceptor_Count	3
646135	Total_Formal_Charge	0
7778	Tautomer_Count	1
68094	Isotope_Atom_Count	0
135410344	Isotope_Atom_Count	0
22141508	Undefined_Bond_Stereo_Count	0
12040	Tautomer_Count	1
80399	Mono_Isotopic_Weight	714.15396894
139902903	Undefined_Bond_Stereo_Count	0
9803788	Undefined_Bond_Stereo_Count	0
586	Exact_Mass	131.069476538
7549	Tautomer_Count	1
10493732	Rotatable_Bond_Count	9
104745	Tautomer_Count	1
11553369	Covalent_Unit_Count	2
107977	Structure_Complexity	110
82322	Structure_Complexity	80.5
443944	Defined_Atom_Stereo_Count	4
164167667	Undefined_Atom_Stereo_Count	2
31373	Defined_Atom_Stereo_Count	0
391136	Isotope_Atom_Count	0
135440068	Exact_Mass	267.09675391
41530	Defined_Bond_Stereo_Count	0
11635721	Molecular_Weight	596.8
64722	Exact_Mass	345.1317986
496666	TPSA	66.4
520277	TPSA	9.2
8304	Undefined_Atom_Stereo_Count	0
71152	Covalent_Unit_Count	1
91322204	Total_Formal_Charge	0
73799602	Non-hydrogen_Atom_Count	7
13032471	Hydrogen_Bond_Donor_Count	0
14179013	TPSA	101
96428	Structure_Complexity	243
10429739	Defined_Bond_Stereo_Count	0
129794671	Defined_Atom_Stereo_Count	0
60196338	Molecular_Weight	936.0
3037070	Undefined_Atom_Stereo_Count	0
23651142	Rotatable_Bond_Count	5
5282944	Defined_Atom_Stereo_Count	0
92876	Mono_Isotopic_Weight	291.1156697
10002668	Structure_Complexity	741
124225	Undefined_Atom_Stereo_Count	1
76964582	Isotope_Atom_Count	0
64685	Defined_Atom_Stereo_Count	0
42827	Defined_Atom_Stereo_Count	0
10417847	Defined_Atom_Stereo_Count	0
71782	Defined_Bond_Stereo_Count	0
54023308	Undefined_Atom_Stereo_Count	0
68601	Undefined_Bond_Stereo_Count	0
74209	Defined_Bond_Stereo_Count	0
148241675	Defined_Atom_Stereo_Count	0
91276	Total_Formal_Charge	0
4666	Defined_Bond_Stereo_Count	0
5462306	Undefined_Bond_Stereo_Count	0
9917968	Hydrogen_Bond_Donor_Count	6
14163	Hydrogen_Bond_Donor_Count	0
11433190	Structure_Complexity	919
13192443	Hydrogen_Bond_Acceptor_Count	2
13776	Defined_Bond_Stereo_Count	0
11355437	Non-hydrogen_Atom_Count	5
118924468	Rotatable_Bond_Count	1
12406682	Molecular_Weight	79.10
4177	XLogP3-AA	3.7
6127	TPSA	0
30819	Total_Formal_Charge	0
756229	TPSA	49.4
13639661	Molecular_Weight	116.11
58084	XLogP3-AA	2.6
317681	XLogP3-AA	1.5
839580	Structure_Complexity	431
353481	Hydrogen_Bond_Donor_Count	8
3329	Exact_Mass	285.06709375
16204922	Mono_Isotopic_Weight	330.08680324
10534635	Undefined_Bond_Stereo_Count	0
672	Undefined_Atom_Stereo_Count	3
17166	TPSA	17.1
61865004	Mono_Isotopic_Weight	113.084063974
40469210	Mono_Isotopic_Weight	384.07215933
21357280	XLogP3-AA	1.9
30959	Rotatable_Bond_Count	7
22166430	Undefined_Atom_Stereo_Count	0
151318	Hydrogen_Bond_Acceptor_Count	3
122449120	Hydrogen_Bond_Donor_Count	1
139026156	Non-hydrogen_Atom_Count	23
91770	Total_Formal_Charge	0
16318	XLogP3	8.3
18363526	Rotatable_Bond_Count	0
15775	Tautomer_Count	1
64184	Undefined_Atom_Stereo_Count	2
75472	Mono_Isotopic_Weight	171.162314293
51622	Molecular_Weight	268.27
63179	Molecular_Weight	513.6
12074440	Hydrogen_Bond_Acceptor_Count	2
656013	Undefined_Atom_Stereo_Count	0
4651115	Undefined_Bond_Stereo_Count	3
475341	Hydrogen_Bond_Acceptor_Count	3
5282198	Exact_Mass	266.224580195
6349	Covalent_Unit_Count	3
5284361	Defined_Bond_Stereo_Count	0
3775	Defined_Atom_Stereo_Count	0
58664	Molecular_Weight	319.74
11675641	Covalent_Unit_Count	1
87953	Rotatable_Bond_Count	17
54698175	Mono_Isotopic_Weight	542.17049376
135509147	Structure_Complexity	754
1350	Molecular_Weight	340.18
54681623	Non-hydrogen_Atom_Count	23
134925337	Total_Formal_Charge	0
61739	Covalent_Unit_Count	1
5811	Undefined_Atom_Stereo_Count	0
31226	TPSA	26.3
80675	Hydrogen_Bond_Donor_Count	3
152274	Undefined_Bond_Stereo_Count	0
13244862	Isotope_Atom_Count	0
199543	Molecular_Weight	108.09
23687810	Defined_Bond_Stereo_Count	0
656604	Mono_Isotopic_Weight	223.03368562
9585	Structure_Complexity	143
16133899	Defined_Atom_Stereo_Count	0
9517	Isotope_Atom_Count	0
50128	Covalent_Unit_Count	2
441348	TPSA	55.6
296732	Defined_Atom_Stereo_Count	0
16212960	Undefined_Bond_Stereo_Count	0
7171	Undefined_Atom_Stereo_Count	1
11717001	Isotope_Atom_Count	0
18818	Hydrogen_Bond_Donor_Count	0
3578945	Defined_Atom_Stereo_Count	0
89532783	XLogP3-AA	0.9
71743843	Defined_Bond_Stereo_Count	0
46231499	Structure_Complexity	660
6997338	Defined_Bond_Stereo_Count	0
74453	Undefined_Bond_Stereo_Count	0
24883	Defined_Bond_Stereo_Count	0
247673	Molecular_Weight	545.5
119196	Exact_Mass	595.20536087
74581	Rotatable_Bond_Count	1
1564	Defined_Bond_Stereo_Count	0
132285118	Molecular_Weight	866.1
92851	Mono_Isotopic_Weight	121.01974964
14241402	Undefined_Bond_Stereo_Count	0
119083105	Isotope_Atom_Count	0
18955264	Hydrogen_Bond_Acceptor_Count	2
20387201	TPSA	3
2756390	Structure_Complexity	269
74067	Defined_Bond_Stereo_Count	0
6457	Mono_Isotopic_Weight	260.120115130
409471	Isotope_Atom_Count	0
44590515	Isotope_Atom_Count	0
9810773	Isotope_Atom_Count	0
37270	XLogP3	7.5
68116	Structure_Complexity	202
5702160	Total_Formal_Charge	0
6432640	Hydrogen_Bond_Donor_Count	1
6917697	Covalent_Unit_Count	2
67284	Hydrogen_Bond_Donor_Count	0
68651	Isotope_Atom_Count	0
58664	Rotatable_Bond_Count	3
534094	Covalent_Unit_Count	1
9848786	Total_Formal_Charge	0
134129858	Hydrogen_Bond_Acceptor_Count	7
48306	XLogP3-AA	5.3
139181052	Total_Formal_Charge	0
84531	Non-hydrogen_Atom_Count	11
2856977	Mono_Isotopic_Weight	247.132076794
6554040	Defined_Atom_Stereo_Count	3
75757	Structure_Complexity	226
60336	Structure_Complexity	205
24821094	Tautomer_Count	5
9851505	Defined_Bond_Stereo_Count	0
78363	Undefined_Atom_Stereo_Count	0
11849	Covalent_Unit_Count	1
8390	Isotope_Atom_Count	0
2137	Undefined_Bond_Stereo_Count	0
137550	Isotope_Atom_Count	0
18380143	Covalent_Unit_Count	1
21680710	Hydrogen_Bond_Donor_Count	2
10034581	Hydrogen_Bond_Acceptor_Count	1
2734940	Hydrogen_Bond_Acceptor_Count	0
97105	Total_Formal_Charge	0
3792	Covalent_Unit_Count	1
6977134	Non-hydrogen_Atom_Count	14
15703	Covalent_Unit_Count	1
204109	Defined_Bond_Stereo_Count	0
123223196	Covalent_Unit_Count	1
1425	Non-hydrogen_Atom_Count	21
523224	Rotatable_Bond_Count	0
928367	Rotatable_Bond_Count	0
60663	Tautomer_Count	2
77795	Rotatable_Bond_Count	4
146160179	Hydrogen_Bond_Acceptor_Count	10
10258	Tautomer_Count	5
13347373	Hydrogen_Bond_Acceptor_Count	2
450050	Covalent_Unit_Count	3
9960287	Rotatable_Bond_Count	10
91435393	Undefined_Atom_Stereo_Count	1
1550330	Non-hydrogen_Atom_Count	21
85843728	TPSA	29.4
637997	Structure_Complexity	95.7
21675633	Mono_Isotopic_Weight	114.104465066
5464097	Molecular_Weight	402.5
810229	Isotope_Atom_Count	0
71183	Undefined_Bond_Stereo_Count	0
129009911	Undefined_Atom_Stereo_Count	0
20522198	Undefined_Bond_Stereo_Count	0
23622607	Structure_Complexity	610
10873438	Molecular_Weight	416.6
52987927	Hydrogen_Bond_Donor_Count	2
14988399	Exact_Mass	85.089149355
11251988	Exact_Mass	115.063328530
2942	Total_Formal_Charge	0
89416	Hydrogen_Bond_Acceptor_Count	1
3034010	XLogP3-AA	10
64832	Molecular_Weight	190.28
51029782	Hydrogen_Bond_Donor_Count	0
59040622	Structure_Complexity	151
9795	Isotope_Atom_Count	0
13415147	Rotatable_Bond_Count	2
90078292	Defined_Atom_Stereo_Count	0
413538	Total_Formal_Charge	0
9089	TPSA	18.5
219145	Hydrogen_Bond_Acceptor_Count	2
107885	XLogP3	6.3
135398737	XLogP3-AA	3.1
437080	Undefined_Atom_Stereo_Count	26
71141	Mono_Isotopic_Weight	519.06645956
9980551	XLogP3-AA	3.8
5288600	Molecular_Weight	311.3
43860	Structure_Complexity	663
89162	Covalent_Unit_Count	2
118574	Defined_Atom_Stereo_Count	0
4649906	Hydrogen_Bond_Donor_Count	0
47909	Undefined_Bond_Stereo_Count	1
44571221	Defined_Bond_Stereo_Count	0
71587119	Rotatable_Bond_Count	12
10369242	Molecular_Weight	515.5
657237	Defined_Bond_Stereo_Count	0
69333796	Undefined_Atom_Stereo_Count	0
23483	Tautomer_Count	1
10758	Tautomer_Count	1
18213	Structure_Complexity	55
6956367	TPSA	106
47528	Covalent_Unit_Count	1
2796	Undefined_Atom_Stereo_Count	0
82336	Defined_Atom_Stereo_Count	0
1616	Non-hydrogen_Atom_Count	14
10291131	Structure_Complexity	382
21673601	Mono_Isotopic_Weight	276.14739250
688137	Defined_Bond_Stereo_Count	0
16679	Hydrogen_Bond_Donor_Count	0
69297	Isotope_Atom_Count	0
67522	Hydrogen_Bond_Donor_Count	2
23866	Isotope_Atom_Count	0
4571	Undefined_Bond_Stereo_Count	0
325086	Rotatable_Bond_Count	1
135019886	Isotope_Atom_Count	0
4594	Hydrogen_Bond_Acceptor_Count	6
11170991	Undefined_Atom_Stereo_Count	0
129856110	Structure_Complexity	665
11988	Total_Formal_Charge	0
89525526	Molecular_Weight	136.19
122534114	TPSA	190
3685	XLogP3	1.9
121459	Undefined_Atom_Stereo_Count	0
91012209	Hydrogen_Bond_Donor_Count	1
20591	Defined_Atom_Stereo_Count	0
59603622	Hydrogen_Bond_Acceptor_Count	8
7366	Molecular_Weight	134.22
5329098	Undefined_Bond_Stereo_Count	0
42153	Isotope_Atom_Count	0
83295	Non-hydrogen_Atom_Count	29
54110642	TPSA	57.5
3828	Rotatable_Bond_Count	2
162747	Tautomer_Count	1
247673	Exact_Mass	545.19104822
18618975	Structure_Complexity	72.5
20680013	TPSA	9.2
21419483	Hydrogen_Bond_Acceptor_Count	3
941915	Covalent_Unit_Count	1
9331	Defined_Atom_Stereo_Count	0
951315	Isotope_Atom_Count	0
58420421	Defined_Bond_Stereo_Count	0
38674	Defined_Bond_Stereo_Count	0
73233	Covalent_Unit_Count	1
11601669	Exact_Mass	286.193280068
216416	Exact_Mass	413.235479232
17890710	Undefined_Atom_Stereo_Count	0
10203245	Structure_Complexity	574
153254665	TPSA	3
148184	Undefined_Atom_Stereo_Count	0
28864	Defined_Atom_Stereo_Count	2
5322111	Isotope_Atom_Count	0
23757	Rotatable_Bond_Count	4
87386545	Covalent_Unit_Count	1
12634655	Exact_Mass	94.078250319
102358067	Hydrogen_Bond_Donor_Count	0
12553930	Defined_Atom_Stereo_Count	0
590596	XLogP3-AA	1.3
25059	Hydrogen_Bond_Acceptor_Count	2
67375395	Structure_Complexity	568
25171607	Undefined_Bond_Stereo_Count	0
28425	Covalent_Unit_Count	1
34457	Molecular_Weight	646.6
10464312	TPSA	34.1
8483	Defined_Atom_Stereo_Count	0
163940165	Hydrogen_Bond_Acceptor_Count	1
10867444	XLogP3-AA	4.4
53998308	Structure_Complexity	86.1
17310	Total_Formal_Charge	1
10409	Undefined_Atom_Stereo_Count	0
16775060	Structure_Complexity	41.4
129674754	Mono_Isotopic_Weight	219.05315777
76700	Defined_Bond_Stereo_Count	0
11508058	Isotope_Atom_Count	0
71776101	Exact_Mass	345.966361
308140	Mono_Isotopic_Weight	374.07903816
9892	Mono_Isotopic_Weight	130.02416388
2073	Total_Formal_Charge	0
65477	Defined_Bond_Stereo_Count	0
8187	Tautomer_Count	2
88133875	Structure_Complexity	75.7
12933432	TPSA	50.8
123959	Isotope_Atom_Count	0
44755151	Hydrogen_Bond_Donor_Count	3
445501	Hydrogen_Bond_Donor_Count	0
18376592	Defined_Atom_Stereo_Count	0
56205	Structure_Complexity	672
11416654	Defined_Atom_Stereo_Count	1
2775940	Rotatable_Bond_Count	18
7350	Total_Formal_Charge	0
778	Structure_Complexity	86.1
1745	Defined_Bond_Stereo_Count	0
1769	Defined_Atom_Stereo_Count	0
2723810	Tautomer_Count	1
13445117	Hydrogen_Bond_Acceptor_Count	2
136305611	Non-hydrogen_Atom_Count	8
76152	Mono_Isotopic_Weight	140.04081944
22456671	Total_Formal_Charge	0
10003	Mono_Isotopic_Weight	128.04489933
567098	Hydrogen_Bond_Acceptor_Count	1
12892785	Covalent_Unit_Count	1
70119	Undefined_Bond_Stereo_Count	0
3325225	Hydrogen_Bond_Acceptor_Count	8
10084648	XLogP3-AA	3.5
101611446	Defined_Atom_Stereo_Count	5
129651417	Rotatable_Bond_Count	0
95229	Defined_Bond_Stereo_Count	0
23663418	Non-hydrogen_Atom_Count	23
6063	Total_Formal_Charge	0
25185	Structure_Complexity	170
70686982	Isotope_Atom_Count	0
5289295	Isotope_Atom_Count	0
117217480	Defined_Bond_Stereo_Count	0
12332146	Undefined_Bond_Stereo_Count	0
20587905	Molecular_Weight	59.82
3414	Mono_Isotopic_Weight	122.94833509
11842633	Molecular_Weight	504.6
17963334	Molecular_Weight	526.5
14962	Defined_Bond_Stereo_Count	0
4030	Rotatable_Bond_Count	4
31335	Covalent_Unit_Count	1
79059	Defined_Atom_Stereo_Count	0
1964	Non-hydrogen_Atom_Count	23
54582822	Undefined_Bond_Stereo_Count	0
56654130	Structure_Complexity	851
91370278	Hydrogen_Bond_Donor_Count	0
5282706	Non-hydrogen_Atom_Count	7
63974	Hydrogen_Bond_Acceptor_Count	6
135564773	XLogP3-AA	5.3
50983	Defined_Bond_Stereo_Count	0
22269415	Mono_Isotopic_Weight	99.068413911
23679441	Hydrogen_Bond_Acceptor_Count	13
5284600	Hydrogen_Bond_Acceptor_Count	5
7716	Structure_Complexity	133
55478	Non-hydrogen_Atom_Count	26
17117	Undefined_Atom_Stereo_Count	0
135446965	Non-hydrogen_Atom_Count	33
91899080	Non-hydrogen_Atom_Count	16
132935795	Exact_Mass	199.10308534
11088	Covalent_Unit_Count	1
49849621	Defined_Bond_Stereo_Count	1
401	Non-hydrogen_Atom_Count	7
23668195	Molecular_Weight	150.89
136266076	Covalent_Unit_Count	1
11115995	Hydrogen_Bond_Donor_Count	0
9953272	Structure_Complexity	546
12564	Hydrogen_Bond_Acceptor_Count	0
101254311	Non-hydrogen_Atom_Count	12
23741	Exact_Mass	240.245315640
79998	Total_Formal_Charge	0
6441265	Covalent_Unit_Count	1
15732451	Rotatable_Bond_Count	4
512289	Hydrogen_Bond_Donor_Count	1
71731823	Undefined_Bond_Stereo_Count	0
573117	Tautomer_Count	1
40637217	XLogP3-AA	3.3
21093905	Exact_Mass	378.1458683
62705689	Total_Formal_Charge	0
5284499	Tautomer_Count	1
101815861	Exact_Mass	273.870525
56846351	Total_Formal_Charge	0
441414	Hydrogen_Bond_Acceptor_Count	9
147594753	Covalent_Unit_Count	1
74879	TPSA	17.1
894468	Rotatable_Bond_Count	4
15942892	Non-hydrogen_Atom_Count	22
41955	Non-hydrogen_Atom_Count	21
3086677	Covalent_Unit_Count	1
6918141	Covalent_Unit_Count	1
87480477	Isotope_Atom_Count	0
5388962	Undefined_Atom_Stereo_Count	0
71343994	Defined_Atom_Stereo_Count	0
71443	Molecular_Weight	408.09
10105	Mono_Isotopic_Weight	188.14124450
542892	Non-hydrogen_Atom_Count	8
644160	Undefined_Atom_Stereo_Count	0
8499	Undefined_Bond_Stereo_Count	0
91175918	Structure_Complexity	114
60877	Defined_Atom_Stereo_Count	2
2133	Undefined_Bond_Stereo_Count	0
122197581	Defined_Bond_Stereo_Count	0
5359367	Covalent_Unit_Count	1
86439	Hydrogen_Bond_Donor_Count	0
14341511	XLogP3-AA	0.2
744	Defined_Atom_Stereo_Count	0
66141	Undefined_Bond_Stereo_Count	0
21942990	XLogP3	0.2
115001	Hydrogen_Bond_Donor_Count	0
115739	Non-hydrogen_Atom_Count	14
49289	Non-hydrogen_Atom_Count	13
22083393	Molecular_Weight	100.08
70610	Undefined_Atom_Stereo_Count	0
440466	Undefined_Bond_Stereo_Count	0
89268685	Molecular_Weight	114.10
3031	Rotatable_Bond_Count	0
2734040	Molecular_Weight	377.2
92339	Exact_Mass	237.9952203
6973640	Isotope_Atom_Count	0
62414	Hydrogen_Bond_Donor_Count	0
60209582	TPSA	75.7
5284554	Isotope_Atom_Count	0
544588	Defined_Atom_Stereo_Count	0
86929	Total_Formal_Charge	0
140334	Tautomer_Count	1
70374	Non-hydrogen_Atom_Count	16
18980923	Molecular_Weight	99.13
6444834	Non-hydrogen_Atom_Count	22
10967532	Mono_Isotopic_Weight	269.06880783
74041115	TPSA	0
82143	Covalent_Unit_Count	1
70308	XLogP3	3
45248	Tautomer_Count	4
162413	Defined_Atom_Stereo_Count	0
2752445	Non-hydrogen_Atom_Count	7
23668193	Non-hydrogen_Atom_Count	4
57396213	TPSA	102
23265	Isotope_Atom_Count	0
9824953	Undefined_Atom_Stereo_Count	0
137518	Defined_Bond_Stereo_Count	0
21703573	Undefined_Bond_Stereo_Count	0
4651115	TPSA	112
25849	Hydrogen_Bond_Acceptor_Count	2
146465392	Hydrogen_Bond_Donor_Count	0
2130	Total_Formal_Charge	0
73433376	Non-hydrogen_Atom_Count	7
88235	Exact_Mass	311.0149699
60740	TPSA	37.3
11685945	Hydrogen_Bond_Donor_Count	7
445071	Undefined_Bond_Stereo_Count	0
538141	TPSA	35.3
160312	XLogP3-AA	3.7
2734176	Defined_Atom_Stereo_Count	0
20396384	Hydrogen_Bond_Donor_Count	1
568783	Rotatable_Bond_Count	2
90876	Structure_Complexity	834
440996	Exact_Mass	301.05626809
596935	Molecular_Weight	221.32
465818	Isotope_Atom_Count	0
68617	Hydrogen_Bond_Donor_Count	1
11261	Undefined_Bond_Stereo_Count	0
101100163	Non-hydrogen_Atom_Count	18
77531	TPSA	25.8
854023	Hydrogen_Bond_Acceptor_Count	2
11652722	Covalent_Unit_Count	1
28332	Total_Formal_Charge	0
60810	Structure_Complexity	650
5284537	Defined_Bond_Stereo_Count	0
36272	Structure_Complexity	710
34698	Mono_Isotopic_Weight	656.15636224
40579125	Hydrogen_Bond_Donor_Count	0
526624	Exact_Mass	226.01222190
317678	Defined_Atom_Stereo_Count	0
23678597	Total_Formal_Charge	0
11356283	Mono_Isotopic_Weight	211.08445790
55286155	Structure_Complexity	93.7
440274	Undefined_Atom_Stereo_Count	0
23663969	Defined_Bond_Stereo_Count	0
18692	Mono_Isotopic_Weight	259.90475
22157803	Total_Formal_Charge	0
11249342	Defined_Atom_Stereo_Count	2
5151436	Exact_Mass	96.057514874
91820610	Defined_Atom_Stereo_Count	6
29179	Defined_Atom_Stereo_Count	0
42201	Hydrogen_Bond_Acceptor_Count	4
17016	Non-hydrogen_Atom_Count	10
151193	Mono_Isotopic_Weight	464.1251329
201538	Tautomer_Count	1
82718360	Undefined_Bond_Stereo_Count	0
73271	Hydrogen_Bond_Acceptor_Count	4
12502857	Hydrogen_Bond_Donor_Count	0
67258976	Covalent_Unit_Count	1
317679	Covalent_Unit_Count	1
643732	TPSA	74.6
135598760	Hydrogen_Bond_Donor_Count	2
29976	Total_Formal_Charge	0
60144418	Mono_Isotopic_Weight	326.01951273
73013	Non-hydrogen_Atom_Count	27
14535398	Hydrogen_Bond_Acceptor_Count	2
490561	Isotope_Atom_Count	0
105426925	Undefined_Bond_Stereo_Count	0
108078	Covalent_Unit_Count	1
2098	Covalent_Unit_Count	1
344793	TPSA	38.7
88762442	TPSA	58.9
122174048	Defined_Bond_Stereo_Count	0
521993	Exact_Mass	102.068079557
258618	TPSA	17.1
5277135	Hydrogen_Bond_Donor_Count	2
25961	Rotatable_Bond_Count	6
19879	Defined_Atom_Stereo_Count	0
382	Structure_Complexity	1540
3715	Molecular_Weight	357.8
22975832	Covalent_Unit_Count	1
163050678	Defined_Atom_Stereo_Count	8
84292	Defined_Atom_Stereo_Count	0
1175	Mono_Isotopic_Weight	168.02834000
612	Tautomer_Count	1
37239	Undefined_Bond_Stereo_Count	0
138195	Mono_Isotopic_Weight	126.068079557
10027781	Covalent_Unit_Count	1
55399	Mono_Isotopic_Weight	622.34788321
12229396	XLogP3	3.2
11061169	Hydrogen_Bond_Acceptor_Count	5
68880	Undefined_Bond_Stereo_Count	0
101915880	Exact_Mass	528.9651382
779179	Exact_Mass	347.18450629
777	Covalent_Unit_Count	1
23263244	Molecular_Weight	112.13
61867	Molecular_Weight	256.17
10336591	Rotatable_Bond_Count	2
11457	Tautomer_Count	1
43499891	Isotope_Atom_Count	0
88959077	Structure_Complexity	122
456199	Rotatable_Bond_Count	4
53340426	Covalent_Unit_Count	1
6323264	Isotope_Atom_Count	0
87310	Undefined_Atom_Stereo_Count	1
123680261	TPSA	59.2
15092989	Undefined_Bond_Stereo_Count	0
172306	Isotope_Atom_Count	0
5486793	Non-hydrogen_Atom_Count	24
85535	Mono_Isotopic_Weight	396.396730897
194670	Exact_Mass	193.110278721
160757343	Undefined_Atom_Stereo_Count	2
70696864	Mono_Isotopic_Weight	428.20730742
10892	Isotope_Atom_Count	0
73557521	Defined_Bond_Stereo_Count	0
54161810	Non-hydrogen_Atom_Count	7
153400963	Molecular_Weight	98.14
27713	Exact_Mass	271.0975211
154030350	TPSA	0
130866606	Undefined_Atom_Stereo_Count	2
44596198	Hydrogen_Bond_Acceptor_Count	9
11635763	Hydrogen_Bond_Acceptor_Count	9
66384	Hydrogen_Bond_Donor_Count	0
141082	Total_Formal_Charge	0
43	Undefined_Bond_Stereo_Count	0
92666	XLogP3-AA	1.6
565005	Structure_Complexity	123
25210	Hydrogen_Bond_Donor_Count	2
285118	Hydrogen_Bond_Donor_Count	0
24868287	Covalent_Unit_Count	6
56654130	Non-hydrogen_Atom_Count	36
6004	Defined_Atom_Stereo_Count	0
44123754	Exact_Mass	468.11987140
169536	Undefined_Bond_Stereo_Count	0
146395	Hydrogen_Bond_Donor_Count	3
72732	Molecular_Weight	242.27
68093	Non-hydrogen_Atom_Count	17
9984	Isotope_Atom_Count	0
11954316	Molecular_Weight	766.3
6453	Structure_Complexity	400
644020	Exact_Mass	234.209598838
60710317	XLogP3-AA	0.1
94910	Undefined_Atom_Stereo_Count	0
11960468	Defined_Bond_Stereo_Count	0
2723654	Total_Formal_Charge	0
441384	Defined_Atom_Stereo_Count	4
17298	Rotatable_Bond_Count	5
69781756	Defined_Atom_Stereo_Count	0
53555	Non-hydrogen_Atom_Count	21
12386899	Rotatable_Bond_Count	3
72200670	Defined_Atom_Stereo_Count	2
3862646	Mono_Isotopic_Weight	612.7618
162461	Covalent_Unit_Count	1
10975415	Structure_Complexity	88.1
521928	Molecular_Weight	330.5
16119086	TPSA	32.3
49862626	Defined_Atom_Stereo_Count	0
84647594	Non-hydrogen_Atom_Count	6
11182575	Non-hydrogen_Atom_Count	7
89125265	Total_Formal_Charge	0
517273	Defined_Atom_Stereo_Count	0
56842231	Molecular_Weight	1141.3
18717626	Undefined_Atom_Stereo_Count	0
49858377	Rotatable_Bond_Count	3
134688091	Exact_Mass	446.26683893
123504	TPSA	37.3
32283	Hydrogen_Bond_Donor_Count	2
46324	Hydrogen_Bond_Donor_Count	1
10233356	Isotope_Atom_Count	0
91394869	Defined_Bond_Stereo_Count	0
68704	Non-hydrogen_Atom_Count	16
91532137	Undefined_Bond_Stereo_Count	0
23430	Exact_Mass	448.18456586
155008	Exact_Mass	556.13694696
87900	Defined_Bond_Stereo_Count	0
72728884	Undefined_Bond_Stereo_Count	1
135923480	Isotope_Atom_Count	0
6785	Covalent_Unit_Count	1
518996	Defined_Bond_Stereo_Count	0
14017587	Structure_Complexity	386
21578704	Undefined_Atom_Stereo_Count	0
129645691	Defined_Bond_Stereo_Count	0
74219	Hydrogen_Bond_Donor_Count	1
5281877	Undefined_Bond_Stereo_Count	0
133057415	Undefined_Bond_Stereo_Count	0
10184665	Hydrogen_Bond_Acceptor_Count	6
68942	Undefined_Atom_Stereo_Count	0
11973	Isotope_Atom_Count	0
101210282	Hydrogen_Bond_Acceptor_Count	0
5360134	Defined_Atom_Stereo_Count	0
66532	Hydrogen_Bond_Donor_Count	0
134070	Molecular_Weight	416.6
21932259	Undefined_Atom_Stereo_Count	0
9828626	Total_Formal_Charge	0
1429	Mono_Isotopic_Weight	280.20384475
4456	Structure_Complexity	246
16759177	Hydrogen_Bond_Donor_Count	2
75987414	Defined_Bond_Stereo_Count	0
6432236	Defined_Atom_Stereo_Count	0
137117239	TPSA	214
5360134	Rotatable_Bond_Count	2
69132	Non-hydrogen_Atom_Count	11
22995366	Rotatable_Bond_Count	2
20561716	Rotatable_Bond_Count	0
118701498	Hydrogen_Bond_Donor_Count	2
270299	Defined_Bond_Stereo_Count	0
148013616	Hydrogen_Bond_Donor_Count	2
688107	Non-hydrogen_Atom_Count	15
10330791	Covalent_Unit_Count	1
9799942	Undefined_Atom_Stereo_Count	1
112239	TPSA	26.3
110968	Non-hydrogen_Atom_Count	9
67085	Exact_Mass	422.07428
66565	Defined_Atom_Stereo_Count	0
58143028	Defined_Bond_Stereo_Count	0
6915732	Mono_Isotopic_Weight	179.07937252
9863827	Undefined_Atom_Stereo_Count	0
165495	Undefined_Bond_Stereo_Count	0
66992840	Defined_Atom_Stereo_Count	0
23662369	Defined_Atom_Stereo_Count	0
22581391	XLogP3-AA	4
4542	Defined_Bond_Stereo_Count	0
19143	TPSA	23.5
12973	Covalent_Unit_Count	1
54525833	Undefined_Atom_Stereo_Count	2
297183	Structure_Complexity	158
59048761	Mono_Isotopic_Weight	342.11621151
14072448	Mono_Isotopic_Weight	114.042927438
13198341	Exact_Mass	120.078644241
97698	Hydrogen_Bond_Donor_Count	0
31209	Rotatable_Bond_Count	6
71112644	Total_Formal_Charge	0
12609623	Defined_Bond_Stereo_Count	0
12242815	Non-hydrogen_Atom_Count	11
71771	Non-hydrogen_Atom_Count	23
60769	Structure_Complexity	512
31312	Non-hydrogen_Atom_Count	35
9934492	Hydrogen_Bond_Acceptor_Count	13
2307	Hydrogen_Bond_Acceptor_Count	7
72560	Defined_Bond_Stereo_Count	0
13923	Undefined_Bond_Stereo_Count	0
12441597	Non-hydrogen_Atom_Count	8
16733194	Hydrogen_Bond_Donor_Count	2
5320867	Mono_Isotopic_Weight	324.183778013
168083	Undefined_Bond_Stereo_Count	0
22636790	XLogP3-AA	0
9820186	TPSA	96.6
32209	Non-hydrogen_Atom_Count	19
9797657	XLogP3	3.5
129629038	Exact_Mass	181.06674293
65726	Total_Formal_Charge	0
21865526	Rotatable_Bond_Count	2
28114	XLogP3-AA	0.1
14962	Total_Formal_Charge	0
118897473	Hydrogen_Bond_Acceptor_Count	3
6918107	Exact_Mass	319.168462302
445319	Defined_Atom_Stereo_Count	0
6336	Structure_Complexity	345
3383	Defined_Bond_Stereo_Count	0
16129688	Isotope_Atom_Count	0
20169	Mono_Isotopic_Weight	312.13615911
5108383	Defined_Bond_Stereo_Count	0
146463800	Hydrogen_Bond_Acceptor_Count	2
995634	Hydrogen_Bond_Donor_Count	1
21617751	Exact_Mass	113.084063974
25273215	Hydrogen_Bond_Acceptor_Count	4
10117987	Defined_Bond_Stereo_Count	0
223578	Defined_Atom_Stereo_Count	0
154731207	Hydrogen_Bond_Acceptor_Count	13
14677	Molecular_Weight	296.4
15012	Hydrogen_Bond_Acceptor_Count	1
45479278	Rotatable_Bond_Count	33
306049	Mono_Isotopic_Weight	222.0811428
517326	Undefined_Atom_Stereo_Count	0
101605498	Non-hydrogen_Atom_Count	44
163698895	Molecular_Weight	114.15
9894291	Total_Formal_Charge	0
15615	Exact_Mass	98.084398327
6432903	Rotatable_Bond_Count	5
134694981	Undefined_Bond_Stereo_Count	1
21365956	Mono_Isotopic_Weight	281.12766012
42611257	Molecular_Weight	489.9
93128	TPSA	35.5
18728307	Non-hydrogen_Atom_Count	7
705715	Defined_Bond_Stereo_Count	0
14197638	Molecular_Weight	109.13
76430	Structure_Complexity	50.1
6950248	Structure_Complexity	45.3
12300006	XLogP3-AA	1.6
26369	Rotatable_Bond_Count	2
134694876	Defined_Bond_Stereo_Count	0
3445	Hydrogen_Bond_Acceptor_Count	3
24818	Mono_Isotopic_Weight	267.75064
173730	Hydrogen_Bond_Acceptor_Count	5
10075424	Mono_Isotopic_Weight	522.13378872
65835	Defined_Bond_Stereo_Count	0
129009973	Hydrogen_Bond_Acceptor_Count	4
54980	Structure_Complexity	323
162908	Mono_Isotopic_Weight	372.208930132
12629	Molecular_Weight	416.5
35898	Molecular_Weight	276.37
14241402	Hydrogen_Bond_Acceptor_Count	2
5687	Molecular_Weight	297.31
9848989	TPSA	62.2
66602654	Defined_Atom_Stereo_Count	0
5709759	Structure_Complexity	474
23537	Tautomer_Count	3
40896	Non-hydrogen_Atom_Count	20
6321424	XLogP3-AA	4.1
46477	Rotatable_Bond_Count	1
138891	Structure_Complexity	70.1
14359030	Molecular_Weight	116.11
30545	Covalent_Unit_Count	1
10780	Undefined_Atom_Stereo_Count	0
5275520	Molecular_Weight	168.23
121207368	TPSA	29.1
135410917	Undefined_Bond_Stereo_Count	0
3137736	Hydrogen_Bond_Donor_Count	1
146019527	Non-hydrogen_Atom_Count	43
135491728	Rotatable_Bond_Count	9
441451	Structure_Complexity	176
529197	Covalent_Unit_Count	1
12383043	Structure_Complexity	64
61474	Tautomer_Count	1
3424274	Non-hydrogen_Atom_Count	11
87071867	Undefined_Atom_Stereo_Count	3
21326601	Molecular_Weight	116.16
67805120	Covalent_Unit_Count	1
9955116	Non-hydrogen_Atom_Count	32
28620	Isotope_Atom_Count	0
7771	Tautomer_Count	3
11375816	Exact_Mass	518.4747169
5086466	Isotope_Atom_Count	0
701617	Mono_Isotopic_Weight	290.11542367
6631	Non-hydrogen_Atom_Count	14
18509075	Undefined_Atom_Stereo_Count	0
197839	Covalent_Unit_Count	1
129319344	Hydrogen_Bond_Acceptor_Count	2
71872	Rotatable_Bond_Count	3
49858374	Isotope_Atom_Count	0
137699188	Total_Formal_Charge	0
83287	Structure_Complexity	165
271553	Hydrogen_Bond_Acceptor_Count	0
5364714	XLogP3-AA	5.9
253276	Defined_Atom_Stereo_Count	0
2914	Molecular_Weight	416.9
81927	Hydrogen_Bond_Acceptor_Count	4
11226090	Defined_Atom_Stereo_Count	2
149519	Molecular_Weight	348.4
12000240	Mono_Isotopic_Weight	569.17851286
13130	Undefined_Bond_Stereo_Count	0
7146	XLogP3-AA	1.9
15938972	Structure_Complexity	1270
221292	TPSA	20.2
10798	Structure_Complexity	75.6
43517	Non-hydrogen_Atom_Count	21
10220680	Undefined_Atom_Stereo_Count	0
3813	Mono_Isotopic_Weight	467.14812078
854150	Isotope_Atom_Count	0
65388	Undefined_Bond_Stereo_Count	0
3643	Structure_Complexity	908
6909	Covalent_Unit_Count	1
10568	Non-hydrogen_Atom_Count	6
16217248	Mono_Isotopic_Weight	115.099714038
21651128	Defined_Atom_Stereo_Count	0
412163	Undefined_Bond_Stereo_Count	0
257369	Non-hydrogen_Atom_Count	8
11951726	Exact_Mass	388.11693871
7555	Defined_Bond_Stereo_Count	0
18764599	Non-hydrogen_Atom_Count	8
54726193	Defined_Bond_Stereo_Count	0
135925739	Defined_Atom_Stereo_Count	9
69049742	Total_Formal_Charge	0
135421876	TPSA	82.5
19385892	Exact_Mass	88.100048391
55113	Covalent_Unit_Count	1
15673	Defined_Atom_Stereo_Count	0
83763	Rotatable_Bond_Count	2
24774737	Defined_Bond_Stereo_Count	0
22674	Covalent_Unit_Count	2
13199930	Hydrogen_Bond_Acceptor_Count	2
135449518	Defined_Bond_Stereo_Count	0
14197	XLogP3	2.2
14642	Exact_Mass	250.15689456
12271349	Undefined_Atom_Stereo_Count	2
20746480	Defined_Bond_Stereo_Count	0
24012	Defined_Atom_Stereo_Count	0
2969	Exact_Mass	172.146329876
1208	Structure_Complexity	280
67502	Structure_Complexity	95.2
271792	Total_Formal_Charge	0
1340	Molecular_Weight	161.16
53389094	TPSA	74.6
10176589	Isotope_Atom_Count	0
6433115	XLogP3-AA	2.9
6589	Rotatable_Bond_Count	1
18617	Rotatable_Bond_Count	0
4306558	Defined_Atom_Stereo_Count	0
44571098	Molecular_Weight	462.9
7464	XLogP3	2.2
51047	Mono_Isotopic_Weight	292.0978555
164005849	Exact_Mass	111.079647300
6778	Defined_Atom_Stereo_Count	0
13745	Total_Formal_Charge	0
7530950	Molecular_Weight	196.29
11789150	Isotope_Atom_Count	0
12149454	Covalent_Unit_Count	2
32443	Total_Formal_Charge	0
24802149	Exact_Mass	180.06338810
578771	Hydrogen_Bond_Donor_Count	2
8437	Defined_Atom_Stereo_Count	0
5361202	Structure_Complexity	798
136153	Mono_Isotopic_Weight	68.062600255
51347395	Molecular_Weight	415.33
72764	Tautomer_Count	2
14743344	TPSA	51.8
135538	TPSA	58.3
485083	Mono_Isotopic_Weight	98.084398327
72200865	Mono_Isotopic_Weight	593.31615210
18381	Hydrogen_Bond_Acceptor_Count	7
449424	Rotatable_Bond_Count	7
137735	Molecular_Weight	96.13
33625	Exact_Mass	347.199762429
164668700	Structure_Complexity	148
90479798	Defined_Bond_Stereo_Count	0
142834	Defined_Atom_Stereo_Count	0
3811100	Covalent_Unit_Count	1
15150444	Undefined_Bond_Stereo_Count	0
827453	Exact_Mass	324.0083890
15951529	Exact_Mass	464.09300959
313196	Isotope_Atom_Count	0
134931805	Mono_Isotopic_Weight	112.088815002
439341	Defined_Atom_Stereo_Count	10
144459	Molecular_Weight	192.3
1549522	Exact_Mass	136.052429494
28360672	Structure_Complexity	789
79809	Defined_Atom_Stereo_Count	0
16212950	Defined_Bond_Stereo_Count	0
44571098	Hydrogen_Bond_Acceptor_Count	8
119095461	Non-hydrogen_Atom_Count	7
10931404	Mono_Isotopic_Weight	114.068079557
9578243	Rotatable_Bond_Count	6
25142700	Covalent_Unit_Count	1
48491	Total_Formal_Charge	1
1367	Hydrogen_Bond_Acceptor_Count	3
541623	Defined_Atom_Stereo_Count	0
95592	Mono_Isotopic_Weight	174.104465066
22857281	Undefined_Atom_Stereo_Count	0
636405	Mono_Isotopic_Weight	612.12093748
123556697	Total_Formal_Charge	0
23675743	Undefined_Atom_Stereo_Count	0
6983	Hydrogen_Bond_Donor_Count	0
21962760	Undefined_Atom_Stereo_Count	0
8863	Total_Formal_Charge	0
10734	Tautomer_Count	1
2733673	Undefined_Bond_Stereo_Count	0
11978451	Undefined_Atom_Stereo_Count	0
7019016	Defined_Atom_Stereo_Count	1
288862	Hydrogen_Bond_Acceptor_Count	0
16217634	Hydrogen_Bond_Acceptor_Count	0
11306073	Defined_Bond_Stereo_Count	0
550525	Exact_Mass	339.961063
97226	Molecular_Weight	364.4
446286	Exact_Mass	425.14092740
222572	Structure_Complexity	391
799	Hydrogen_Bond_Acceptor_Count	6
712421	Defined_Atom_Stereo_Count	1
129734884	Undefined_Bond_Stereo_Count	0
85145	Defined_Atom_Stereo_Count	0
65584	Non-hydrogen_Atom_Count	12
123673485	Molecular_Weight	109.17
12763	Isotope_Atom_Count	0
9548605	Undefined_Bond_Stereo_Count	0
7556	Defined_Bond_Stereo_Count	0
21679899	Molecular_Weight	98.14
135409836	Covalent_Unit_Count	1
596	TPSA	129
57234721	Mono_Isotopic_Weight	96.057514874
5284542	Non-hydrogen_Atom_Count	19
11137	Non-hydrogen_Atom_Count	10
447297	Exact_Mass	327.10414797
69333796	Isotope_Atom_Count	0
9650	Exact_Mass	260.11609238
59301609	Defined_Atom_Stereo_Count	0
24199050	Defined_Bond_Stereo_Count	0
157	Defined_Atom_Stereo_Count	0
42113	XLogP3-AA	2.6
46934352	Undefined_Bond_Stereo_Count	0
11480417	Mono_Isotopic_Weight	111.068413911
52	Mono_Isotopic_Weight	867.16763975
74370	Structure_Complexity	1030
4205037	TPSA	74.8
4997	Molecular_Weight	247.33
2761399	XLogP3	0.4
23080446	Mono_Isotopic_Weight	605.27458459
46839993	Tautomer_Count	1
180098	Tautomer_Count	18
64487	Total_Formal_Charge	0
6914605	Rotatable_Bond_Count	6
47721	Exact_Mass	274.172150702
10675	Isotope_Atom_Count	0
15027981	Total_Formal_Charge	0
5059	Structure_Complexity	375
12381421	Hydrogen_Bond_Donor_Count	0
8006	Defined_Bond_Stereo_Count	0
3372845	Covalent_Unit_Count	1
9864881	Defined_Bond_Stereo_Count	1
11513	Defined_Bond_Stereo_Count	0
2090	Hydrogen_Bond_Donor_Count	6
44468216	Tautomer_Count	3
77077	Hydrogen_Bond_Acceptor_Count	0
20055089	Rotatable_Bond_Count	5
45259401	Hydrogen_Bond_Donor_Count	2
7566539	Hydrogen_Bond_Acceptor_Count	11
7517	Covalent_Unit_Count	1
88006	Mono_Isotopic_Weight	193.110278721
64930	Exact_Mass	639.37711765
45255110	Undefined_Atom_Stereo_Count	0
31281	Defined_Bond_Stereo_Count	0
95162563	Non-hydrogen_Atom_Count	23
6432649	Undefined_Bond_Stereo_Count	0
3033818	Non-hydrogen_Atom_Count	24
10898675	Defined_Atom_Stereo_Count	0
86873	Defined_Bond_Stereo_Count	0
62553	Isotope_Atom_Count	0
7118	Structure_Complexity	127
210301	Defined_Atom_Stereo_Count	0
34515	Undefined_Atom_Stereo_Count	2
25315	Undefined_Atom_Stereo_Count	1
5368838	TPSA	24.4
5193	Mono_Isotopic_Weight	238.13174244
31226	Defined_Atom_Stereo_Count	0
12302648	Total_Formal_Charge	0
2559	Undefined_Bond_Stereo_Count	0
44414758	XLogP3-AA	4.8
87452348	Total_Formal_Charge	0
13927379	Undefined_Bond_Stereo_Count	0
54007	Defined_Bond_Stereo_Count	0
22136196	Exact_Mass	114.00654193
71356656	Undefined_Bond_Stereo_Count	1
22988955	Molecular_Weight	100.12
11661757	Covalent_Unit_Count	2
768	Hydrogen_Bond_Acceptor_Count	1
43818	Molecular_Weight	320.9
121148	Defined_Atom_Stereo_Count	0
7308	Hydrogen_Bond_Acceptor_Count	3
5462212	Exact_Mass	919.23532538
28343	Undefined_Bond_Stereo_Count	0
117881739	Defined_Bond_Stereo_Count	0
83322	Undefined_Bond_Stereo_Count	0
16215	Isotope_Atom_Count	0
16212969	Rotatable_Bond_Count	2
3081420	TPSA	0
6433101	Molecular_Weight	452.5
7852	Exact_Mass	59.073499291
16767284	XLogP3-AA	1
11865410	Defined_Atom_Stereo_Count	4
31714	Structure_Complexity	740
4055843	Exact_Mass	238.062994177
6950	Undefined_Atom_Stereo_Count	1
58158	Tautomer_Count	1
77829	Total_Formal_Charge	0
70837	Hydrogen_Bond_Acceptor_Count	4
9703	Undefined_Bond_Stereo_Count	0
3083444	TPSA	761
27581	Defined_Bond_Stereo_Count	0
44431182	Hydrogen_Bond_Acceptor_Count	10
101855556	Mono_Isotopic_Weight	368.08960285
24621	Mono_Isotopic_Weight	161.885062
25512	Exact_Mass	80.062600255
5459796	Undefined_Atom_Stereo_Count	0
9109	Covalent_Unit_Count	1
235269	XLogP3-AA	2.2
445319	Hydrogen_Bond_Acceptor_Count	2
134694652	Defined_Bond_Stereo_Count	1
126970904	Defined_Atom_Stereo_Count	0
71810	TPSA	26.3
16683704	Hydrogen_Bond_Donor_Count	1
864969	Structure_Complexity	448
8730	Undefined_Atom_Stereo_Count	0
129655960	Hydrogen_Bond_Acceptor_Count	9
10784	Hydrogen_Bond_Acceptor_Count	1
23667629	Total_Formal_Charge	0
90429111	TPSA	58.6
53825954	Undefined_Atom_Stereo_Count	0
18730041	Structure_Complexity	58.4
546946	Hydrogen_Bond_Donor_Count	0
15352	Tautomer_Count	1
90305308	Undefined_Bond_Stereo_Count	0
543855	Hydrogen_Bond_Donor_Count	1
21642823	Undefined_Atom_Stereo_Count	0
15628	Defined_Bond_Stereo_Count	0
22878123	Total_Formal_Charge	0
37250	Hydrogen_Bond_Donor_Count	0
22052726	Exact_Mass	114.068079557
456389	XLogP3-AA	4.1
825744	Total_Formal_Charge	0
54260	Molecular_Weight	317.5
17930361	Covalent_Unit_Count	1
5289205	Defined_Atom_Stereo_Count	5
66714960	Mono_Isotopic_Weight	183.05449518
441033	Covalent_Unit_Count	1
10176127	Defined_Atom_Stereo_Count	0
136375	Non-hydrogen_Atom_Count	7
62760	Tautomer_Count	1
197712	Mono_Isotopic_Weight	378.15795719
6858240	Hydrogen_Bond_Acceptor_Count	10
3015	Molecular_Weight	374.9
68365445	Hydrogen_Bond_Donor_Count	0
22149470	Defined_Bond_Stereo_Count	0
5883	Rotatable_Bond_Count	7
46936995	Rotatable_Bond_Count	7
821629	Non-hydrogen_Atom_Count	17
156588151	Total_Formal_Charge	0
6452481	Hydrogen_Bond_Acceptor_Count	2
519415	Defined_Atom_Stereo_Count	0
6450	TPSA	92.2
12302675	Hydrogen_Bond_Acceptor_Count	11
85764696	Undefined_Atom_Stereo_Count	0
2724564	Defined_Bond_Stereo_Count	0
10931394	Defined_Bond_Stereo_Count	0
5311325	Molecular_Weight	102.975151
6450813	Structure_Complexity	574
91041862	Isotope_Atom_Count	0
282518	Undefined_Bond_Stereo_Count	0
44555481	Structure_Complexity	854
2724537	Defined_Bond_Stereo_Count	0
90453	Undefined_Bond_Stereo_Count	0
706	Defined_Bond_Stereo_Count	0
89559	Defined_Atom_Stereo_Count	0
444183	Exact_Mass	215.05587416
248127	Covalent_Unit_Count	1
18755330	XLogP3-AA	0.2
163201191	Structure_Complexity	99.7
11294	Rotatable_Bond_Count	3
66764350	Total_Formal_Charge	0
650572	Defined_Bond_Stereo_Count	0
56675037	Non-hydrogen_Atom_Count	30
75311	Tautomer_Count	1
25199597	TPSA	94.9
69232870	Non-hydrogen_Atom_Count	8
96772	Total_Formal_Charge	0
91772	Non-hydrogen_Atom_Count	26
45381907	Exact_Mass	377.11577528
23545554	Exact_Mass	112.052429494
84308	Non-hydrogen_Atom_Count	6
611370	Isotope_Atom_Count	0
663939	Covalent_Unit_Count	1
2966	Hydrogen_Bond_Donor_Count	2
109640	TPSA	12.9
93079	Hydrogen_Bond_Donor_Count	0
6029	Isotope_Atom_Count	0
10331	Isotope_Atom_Count	0
49863385	Non-hydrogen_Atom_Count	47
2375	Defined_Bond_Stereo_Count	0
543879	XLogP3-AA	1.4
207292	Undefined_Bond_Stereo_Count	0
1166	Mono_Isotopic_Weight	566.05502130
107994	Undefined_Atom_Stereo_Count	0
6450830	Hydrogen_Bond_Donor_Count	3
98324	Non-hydrogen_Atom_Count	12
3847	Structure_Complexity	224
4340561	Molecular_Weight	123.18
70680969	Defined_Bond_Stereo_Count	0
64463	Non-hydrogen_Atom_Count	18
70813	Hydrogen_Bond_Donor_Count	0
6112	Undefined_Bond_Stereo_Count	0
27919	Molecular_Weight	177.20
443979	Isotope_Atom_Count	0
12385939	Mono_Isotopic_Weight	117.053826475
16136	Undefined_Atom_Stereo_Count	0
62334	Tautomer_Count	1
11618	Non-hydrogen_Atom_Count	7
5330472	Molecular_Weight	365.4
9236	Defined_Atom_Stereo_Count	0
1476679	Rotatable_Bond_Count	4
6983	Non-hydrogen_Atom_Count	12
92751	Structure_Complexity	490
419186	Covalent_Unit_Count	1
6539005	Hydrogen_Bond_Acceptor_Count	7
24873435	Molecular_Weight	749.9
12847948	Exact_Mass	111.079647300
12695795	Defined_Bond_Stereo_Count	0
87363	Total_Formal_Charge	0
419182	Defined_Bond_Stereo_Count	0
11281011	Molecular_Weight	399.9
34755	Undefined_Bond_Stereo_Count	0
96389	XLogP3	2.2
12217323	Molecular_Weight	168.18
98162749	Mono_Isotopic_Weight	284.16237386
11469158	TPSA	35.5
46917793	Undefined_Bond_Stereo_Count	0
5527	Structure_Complexity	464
721137	Mono_Isotopic_Weight	292.0502366
19843	Exact_Mass	210.136827821
33295	XLogP3-AA	2
98043898	Isotope_Atom_Count	0
136649153	Non-hydrogen_Atom_Count	15
73977860	TPSA	33
1810216	Hydrogen_Bond_Acceptor_Count	3
75090	Undefined_Atom_Stereo_Count	0
23709629	Isotope_Atom_Count	0
65662	XLogP3-AA	2.7
129834519	Undefined_Atom_Stereo_Count	5
5311360	XLogP3	5.9
57074	XLogP3-AA	4.4
11029769	Undefined_Atom_Stereo_Count	0
11278075	Undefined_Bond_Stereo_Count	0
11976	Tautomer_Count	1
69020	Undefined_Atom_Stereo_Count	0
19016756	Hydrogen_Bond_Donor_Count	3
14992	Undefined_Atom_Stereo_Count	0
69647192	Mono_Isotopic_Weight	113.047678466
119202	Tautomer_Count	5
46207586	Defined_Atom_Stereo_Count	0
51003592	Covalent_Unit_Count	1
54383554	TPSA	0
125183304	Exact_Mass	904.44565070
64914374	Molecular_Weight	112.17
25116	Molecular_Weight	212.67
6432095	Hydrogen_Bond_Donor_Count	0
13314	Total_Formal_Charge	0
1793	Total_Formal_Charge	0
40466957	Total_Formal_Charge	0
70719	Non-hydrogen_Atom_Count	8
6767	Mono_Isotopic_Weight	350.15180918
66282	Rotatable_Bond_Count	2
148539	Undefined_Bond_Stereo_Count	0
74266	Isotope_Atom_Count	0
46863	Exact_Mass	234.961448
10526	XLogP3-AA	1.6
8309	Defined_Bond_Stereo_Count	0
17856120	Isotope_Atom_Count	0
21884	Isotope_Atom_Count	0
58795738	Total_Formal_Charge	0
164668700	Rotatable_Bond_Count	3
12304109	XLogP3	2.1
6435207	XLogP3-AA	1.3
16132954	Hydrogen_Bond_Acceptor_Count	22
15406	Hydrogen_Bond_Donor_Count	1
20055352	Rotatable_Bond_Count	1
946372	Structure_Complexity	492
129692694	Hydrogen_Bond_Donor_Count	0
93089	Defined_Atom_Stereo_Count	0
4761	Undefined_Atom_Stereo_Count	1
2063	Defined_Bond_Stereo_Count	0
22353151	Molecular_Weight	432.4
28689	Covalent_Unit_Count	1
22986754	Hydrogen_Bond_Donor_Count	1
43095	Defined_Bond_Stereo_Count	0
7479	Non-hydrogen_Atom_Count	11
23700068	Defined_Atom_Stereo_Count	0
16049024	Rotatable_Bond_Count	13
21948548	Covalent_Unit_Count	1
11700696	Defined_Atom_Stereo_Count	0
12176	Covalent_Unit_Count	1
19077520	Defined_Atom_Stereo_Count	0
5017	TPSA	63.6
23695767	Molecular_Weight	372.3
22082840	TPSA	26
102821	Molecular_Weight	423.7
126704391	Exact_Mass	180.06338810
13062961	Isotope_Atom_Count	0
90390	Rotatable_Bond_Count	2
4782	Undefined_Atom_Stereo_Count	1
134931805	Hydrogen_Bond_Acceptor_Count	1
135985126	Isotope_Atom_Count	0
6628	Mono_Isotopic_Weight	214.04121336
4015	Structure_Complexity	428
17779928	Hydrogen_Bond_Acceptor_Count	0
10455	Non-hydrogen_Atom_Count	9
90227	Exact_Mass	382.13339621
338690	Exact_Mass	114.042927438
436520	Rotatable_Bond_Count	17
70314955	Exact_Mass	112.027277375
64149	Total_Formal_Charge	0
248898	Molecular_Weight	317.4
54690031	Hydrogen_Bond_Acceptor_Count	7
57079767	Total_Formal_Charge	0
123392765	TPSA	67.9
5281035	Undefined_Bond_Stereo_Count	0
5328791	Rotatable_Bond_Count	2
68075820	Hydrogen_Bond_Acceptor_Count	1
53893636	Rotatable_Bond_Count	2
20134527	Exact_Mass	98.073164938
11000531	Mono_Isotopic_Weight	283.08445790
22978371	Undefined_Bond_Stereo_Count	0
2733797	Defined_Atom_Stereo_Count	5
9854073	XLogP3	2.7
3654	Total_Formal_Charge	0
40073	Molecular_Weight	462.5
30513	Molecular_Weight	259.29
23182368	Defined_Atom_Stereo_Count	0
135398645	Defined_Bond_Stereo_Count	0
45120480	Molecular_Weight	110.15
76771601	Mono_Isotopic_Weight	114.104465066
91514136	Exact_Mass	100.052429494
5462508	Non-hydrogen_Atom_Count	20
25199798	TPSA	74.6
45410	Non-hydrogen_Atom_Count	19
9571044	Hydrogen_Bond_Donor_Count	1
163143	Non-hydrogen_Atom_Count	32
11761	Structure_Complexity	220
60155100	Defined_Atom_Stereo_Count	0
5651	Exact_Mass	1447.4301997
87490405	Molecular_Weight	111.10
71463826	Isotope_Atom_Count	0
117633116	Exact_Mass	180.06338810
7210	Molecular_Weight	282.34
9879368	Exact_Mass	263.167399674
70390	XLogP3-AA	3.9
101437085	Mono_Isotopic_Weight	489.15256851
162290	Covalent_Unit_Count	3
16971	Isotope_Atom_Count	0
23681217	TPSA	81.6
32526	Total_Formal_Charge	0
6686	Hydrogen_Bond_Acceptor_Count	6
75821	Total_Formal_Charge	0
23247721	XLogP3-AA	2.7
105104	Undefined_Bond_Stereo_Count	0
573744	Undefined_Atom_Stereo_Count	0
9881504	Tautomer_Count	2
22344	Undefined_Atom_Stereo_Count	0
5288573	Mono_Isotopic_Weight	220.07355886
23675242	Tautomer_Count	1
35784	Defined_Atom_Stereo_Count	0
13408099	Covalent_Unit_Count	1
71449750	Defined_Bond_Stereo_Count	0
90334	Hydrogen_Bond_Donor_Count	1
17185	Rotatable_Bond_Count	7
447342	Covalent_Unit_Count	1
436515	Rotatable_Bond_Count	5
12757	Mono_Isotopic_Weight	110.109550447
71555	Exact_Mass	217.0869564
20141078	Structure_Complexity	117
7644	Total_Formal_Charge	0
135823198	Undefined_Atom_Stereo_Count	1
80277	Defined_Bond_Stereo_Count	0
2724275	Undefined_Bond_Stereo_Count	0
15053	Isotope_Atom_Count	0
48011	Tautomer_Count	6
11625778	Molecular_Weight	413.5
9952	Isotope_Atom_Count	0
60196437	Covalent_Unit_Count	1
18462872	Exact_Mass	115.063328530
62441	Hydrogen_Bond_Donor_Count	4
4217966	TPSA	69.1
1483	Undefined_Bond_Stereo_Count	0
405298	Mono_Isotopic_Weight	366.08766640
543112	Total_Formal_Charge	0
68260833	TPSA	9.2
12702817	XLogP3-AA	1
98416	Isotope_Atom_Count	0
60585	Hydrogen_Bond_Donor_Count	5
123755	Total_Formal_Charge	0
163829	Exact_Mass	1392.73362573
10953456	TPSA	22.4
16555	TPSA	104
5282433	Undefined_Atom_Stereo_Count	0
14712340	Isotope_Atom_Count	0
10616	Hydrogen_Bond_Acceptor_Count	3
129858308	XLogP3-AA	0.9
47319	XLogP3-AA	7.9
2076	Non-hydrogen_Atom_Count	40
57396041	Exact_Mass	454.33077660
138203	TPSA	30.7
71268957	Molecular_Weight	541.7
6273	Molecular_Weight	226.23
21138	Hydrogen_Bond_Acceptor_Count	3
440959	Mono_Isotopic_Weight	161.06880783
128872	Hydrogen_Bond_Donor_Count	1
3000	XLogP3	2.3
9466	Rotatable_Bond_Count	7
839431	Isotope_Atom_Count	0
84647715	Covalent_Unit_Count	1
57406717	Total_Formal_Charge	0
84647732	Non-hydrogen_Atom_Count	8
25014598	Non-hydrogen_Atom_Count	35
11084586	Undefined_Bond_Stereo_Count	0
22784	Undefined_Atom_Stereo_Count	0
497300	Defined_Bond_Stereo_Count	0
1463	Undefined_Bond_Stereo_Count	0
69861	Mono_Isotopic_Weight	149.120449483
24623	Tautomer_Count	1
54584098	Exact_Mass	334.02046
2737289	Mono_Isotopic_Weight	168.06989108
141167	Defined_Bond_Stereo_Count	0
1438150	Covalent_Unit_Count	1
89197	Mono_Isotopic_Weight	111.068413911
20231751	Exact_Mass	160.9560951
71196	Defined_Bond_Stereo_Count	0
3203	Exact_Mass	315.0273907
54180637	Isotope_Atom_Count	0
2783279	Undefined_Atom_Stereo_Count	0
51	Rotatable_Bond_Count	4
439369	TPSA	340
71257	TPSA	43.2
97354	Isotope_Atom_Count	0
19958	Rotatable_Bond_Count	2
447877	Undefined_Bond_Stereo_Count	0
642799	Hydrogen_Bond_Donor_Count	0
21152	Non-hydrogen_Atom_Count	16
1649	Non-hydrogen_Atom_Count	13
123543	Defined_Atom_Stereo_Count	0
14171936	Covalent_Unit_Count	1
6917868	Undefined_Atom_Stereo_Count	0
589409	Defined_Atom_Stereo_Count	0
90761	Hydrogen_Bond_Donor_Count	0
44404643	Rotatable_Bond_Count	12
21703153	Covalent_Unit_Count	1
68681268	Total_Formal_Charge	0
7421	Rotatable_Bond_Count	1
68028	Hydrogen_Bond_Acceptor_Count	4
17563	Tautomer_Count	2
91723653	Covalent_Unit_Count	1
136502	Non-hydrogen_Atom_Count	7
8966	XLogP3-AA	3.6
3104	Undefined_Atom_Stereo_Count	4
44336199	Defined_Atom_Stereo_Count	0
6450232	Molecular_Weight	373.4
551188	Undefined_Bond_Stereo_Count	0
23574312	Hydrogen_Bond_Acceptor_Count	1
81080	Covalent_Unit_Count	1
9877346	Molecular_Weight	100.12
139086359	Isotope_Atom_Count	0
5362772	Defined_Atom_Stereo_Count	0
71153	Structure_Complexity	370
439918	Molecular_Weight	175.14
25080	Undefined_Atom_Stereo_Count	0
9841834	XLogP3-AA	1.5
5365552	Hydrogen_Bond_Acceptor_Count	0
135457035	Hydrogen_Bond_Donor_Count	2
22704	Covalent_Unit_Count	1
31378	Hydrogen_Bond_Acceptor_Count	6
3958	Undefined_Atom_Stereo_Count	1
36209	Hydrogen_Bond_Acceptor_Count	0
11457683	TPSA	26.3
16911	Undefined_Bond_Stereo_Count	0
86063	Hydrogen_Bond_Acceptor_Count	4
31247	Structure_Complexity	86.5
53737226	Non-hydrogen_Atom_Count	7
19754146	Structure_Complexity	245
24729360	XLogP3-AA	2.9
444614	Non-hydrogen_Atom_Count	25
21954793	Undefined_Atom_Stereo_Count	1
73072210	Isotope_Atom_Count	0
270362	Hydrogen_Bond_Acceptor_Count	2
6850789	Undefined_Atom_Stereo_Count	0
156618055	Molecular_Weight	342.30
65049734	TPSA	12.5
21564107	Total_Formal_Charge	0
6855	Non-hydrogen_Atom_Count	19
119097350	Exact_Mass	96.057514874
373949	Structure_Complexity	193
444000	Molecular_Weight	564.3
7023411	Undefined_Bond_Stereo_Count	0
12669582	Total_Formal_Charge	0
162681	Hydrogen_Bond_Acceptor_Count	5
6656	Molecular_Weight	100.12
42552739	Defined_Atom_Stereo_Count	10
42037	Defined_Atom_Stereo_Count	0
3424274	Structure_Complexity	201
24752885	Exact_Mass	270.18310931
3480138	Covalent_Unit_Count	1
102515495	Structure_Complexity	285
18923028	Molecular_Weight	99.13
6696	Molecular_Weight	309.16
4538	Total_Formal_Charge	0
123208701	Undefined_Atom_Stereo_Count	3
21253562	Hydrogen_Bond_Donor_Count	1
6741	Total_Formal_Charge	0
88890027	Total_Formal_Charge	0
54184524	Hydrogen_Bond_Donor_Count	1
135408511	XLogP3-AA	4.5
66297	TPSA	0
104902	Defined_Atom_Stereo_Count	6
11236353	Exact_Mass	453.13584202
135413554	Total_Formal_Charge	0
30175	Hydrogen_Bond_Donor_Count	0
5284604	Undefined_Atom_Stereo_Count	0
22082547	Hydrogen_Bond_Donor_Count	0
27822	Mono_Isotopic_Weight	158.141913202
72168	Hydrogen_Bond_Acceptor_Count	7
400010	Rotatable_Bond_Count	1
20623563	Mono_Isotopic_Weight	109.052763847
85812	Molecular_Weight	202.25
6539003	Defined_Bond_Stereo_Count	0
123704723	Mono_Isotopic_Weight	112.088815002
12268623	Undefined_Atom_Stereo_Count	0
76223467	Covalent_Unit_Count	1
9998128	Exact_Mass	352.14364454
9804302	Hydrogen_Bond_Acceptor_Count	9
57061367	Structure_Complexity	62.7
100930731	Total_Formal_Charge	0
443118	Isotope_Atom_Count	0
416793	Undefined_Atom_Stereo_Count	0
5280878	Structure_Complexity	706
344693	Exact_Mass	226.099379685
6724	Isotope_Atom_Count	0
548185	Mono_Isotopic_Weight	139.03031432
23725123	Molecular_Weight	350.4
44339090	Hydrogen_Bond_Acceptor_Count	5
2816105	Undefined_Atom_Stereo_Count	0
21583	Defined_Atom_Stereo_Count	0
67277	Undefined_Bond_Stereo_Count	0
71142	Non-hydrogen_Atom_Count	28
13885286	Structure_Complexity	318
53364510	Covalent_Unit_Count	1
78738	Hydrogen_Bond_Acceptor_Count	3
9859094	Molecular_Weight	204.35
201652	Tautomer_Count	1
5282443	Exact_Mass	278.178298710
20431673	Covalent_Unit_Count	1
49869312	Undefined_Bond_Stereo_Count	0
237041	Hydrogen_Bond_Donor_Count	1
30550	Molecular_Weight	770.6
8425	Covalent_Unit_Count	1
3595	Molecular_Weight	388.5
157365551	XLogP3-AA	2.5
23305305	Undefined_Atom_Stereo_Count	0
14535398	Molecular_Weight	151.97
11957707	Non-hydrogen_Atom_Count	23
1574	TPSA	62
11623676	Hydrogen_Bond_Acceptor_Count	2
5053	Tautomer_Count	1
107720	TPSA	107
82052	Mono_Isotopic_Weight	153.9588348
5486204	Hydrogen_Bond_Donor_Count	0
23422644	Covalent_Unit_Count	1
77929	Molecular_Weight	220.25
89976630	Mono_Isotopic_Weight	107.037113783
17822053	Undefined_Bond_Stereo_Count	0
5480	Rotatable_Bond_Count	5
68374679	Structure_Complexity	126
71898	Undefined_Bond_Stereo_Count	0
644213	Molecular_Weight	276.67
10258659	Isotope_Atom_Count	0
68296308	TPSA	64.7
54710743	Total_Formal_Charge	1
91171	Rotatable_Bond_Count	3
71624581	Undefined_Bond_Stereo_Count	0
92649	Structure_Complexity	271
14892	Covalent_Unit_Count	2
234237	Molecular_Weight	202.29
12968	Exact_Mass	189.11873540
1150344	Covalent_Unit_Count	1
7826	Non-hydrogen_Atom_Count	10
5310983	Mono_Isotopic_Weight	552.98346781
21302490	Defined_Bond_Stereo_Count	0
6363	Hydrogen_Bond_Donor_Count	1
17887248	Mono_Isotopic_Weight	85.027611728
12580406	Undefined_Bond_Stereo_Count	0
9960616	Defined_Bond_Stereo_Count	0
71430	TPSA	98.4
10934	Non-hydrogen_Atom_Count	7
86711	Tautomer_Count	1
1683	Undefined_Bond_Stereo_Count	0
12932	Non-hydrogen_Atom_Count	23
59216333	Mono_Isotopic_Weight	111.043261792
16318	Non-hydrogen_Atom_Count	22
518818	Total_Formal_Charge	0
53395363	Defined_Atom_Stereo_Count	0
155143	TPSA	43.4
5362460	Covalent_Unit_Count	1
130054486	Defined_Bond_Stereo_Count	0
145438	TPSA	0
5287879	Non-hydrogen_Atom_Count	59
65675	Undefined_Atom_Stereo_Count	0
1443	Tautomer_Count	7
72790	Rotatable_Bond_Count	0
5136276	Defined_Atom_Stereo_Count	0
3086455	Defined_Bond_Stereo_Count	0
3842125	Isotope_Atom_Count	0
53316138	Exact_Mass	616.34721450
3714831	Non-hydrogen_Atom_Count	11
93858	Defined_Atom_Stereo_Count	0
38971	Hydrogen_Bond_Donor_Count	2
9949641	Covalent_Unit_Count	1
2779024	Isotope_Atom_Count	0
167724	Covalent_Unit_Count	1
317053	Hydrogen_Bond_Acceptor_Count	2
5388510	Mono_Isotopic_Weight	222.0811428
24202578	Tautomer_Count	479
278711	Isotope_Atom_Count	0
135528917	Exact_Mass	444.16966468
19828393	XLogP3-AA	0.9
23689980	Exact_Mass	117.97005941
88784945	Rotatable_Bond_Count	2
316249	Molecular_Weight	194.19
68432538	TPSA	18.5
4068533	Exact_Mass	94.00307362
12556904	TPSA	37.3
19022508	Rotatable_Bond_Count	5
37713	Rotatable_Bond_Count	0
23180086	Rotatable_Bond_Count	4
448042	Isotope_Atom_Count	0
76619	Covalent_Unit_Count	1
14245	Hydrogen_Bond_Donor_Count	0
11355437	Molecular_Weight	78.071
9908880	Undefined_Bond_Stereo_Count	0
31203	Exact_Mass	360.363025472
54496446	Defined_Atom_Stereo_Count	0
90937445	TPSA	240
118209838	Defined_Bond_Stereo_Count	0
10350561	Mono_Isotopic_Weight	841.44598505
70926	Undefined_Bond_Stereo_Count	0
71624581	Molecular_Weight	403.9
453359	Undefined_Atom_Stereo_Count	0
140710	Exact_Mass	116.083729621
5289085	Total_Formal_Charge	0
13018409	Undefined_Atom_Stereo_Count	0
9863552	Non-hydrogen_Atom_Count	26
529448	Defined_Bond_Stereo_Count	0
24203	Rotatable_Bond_Count	0
163276613	Isotope_Atom_Count	0
2943	Undefined_Atom_Stereo_Count	0
249502	Exact_Mass	192.151415257
71454296	XLogP3-AA	2.7
6883	Defined_Atom_Stereo_Count	4
100969894	Non-hydrogen_Atom_Count	8
121942	Molecular_Weight	356.32
6445786	Undefined_Atom_Stereo_Count	2
7522	Exact_Mass	104.037448136
1338	Defined_Bond_Stereo_Count	0
54057642	Total_Formal_Charge	0
4284720	Non-hydrogen_Atom_Count	20
76171	Hydrogen_Bond_Donor_Count	1
118796997	Undefined_Bond_Stereo_Count	0
60196425	Molecular_Weight	491.3
10021783	Defined_Bond_Stereo_Count	0
10668284	Defined_Atom_Stereo_Count	0
23409	Mono_Isotopic_Weight	170.048012819
13721252	Defined_Bond_Stereo_Count	0
168381	Defined_Atom_Stereo_Count	1
10953456	Undefined_Bond_Stereo_Count	0
46841789	Structure_Complexity	808
32607	Non-hydrogen_Atom_Count	17
123976	Molecular_Weight	402.7
743492	Undefined_Bond_Stereo_Count	0
12576587	Undefined_Bond_Stereo_Count	0
136364887	Isotope_Atom_Count	0
447534	Molecular_Weight	229.17
87425008	Total_Formal_Charge	0
182362	Rotatable_Bond_Count	1
19700	Total_Formal_Charge	0
6040503	Undefined_Atom_Stereo_Count	0
43247500	TPSA	27
162501	Exact_Mass	321.07258686
21339024	Covalent_Unit_Count	1
440966	Total_Formal_Charge	0
22150757	Total_Formal_Charge	0
9800555	TPSA	97.1
5288598	Non-hydrogen_Atom_Count	17
21935075	Defined_Bond_Stereo_Count	0
158340	Tautomer_Count	1
73921	Defined_Atom_Stereo_Count	0
12001831	Isotope_Atom_Count	0
3063	Undefined_Atom_Stereo_Count	5
5361462	Tautomer_Count	2
3085106	Molecular_Weight	564.0
71360804	Covalent_Unit_Count	1
11656753	Hydrogen_Bond_Donor_Count	2
8400	Mono_Isotopic_Weight	212.083729621
53893761	Structure_Complexity	162
72258	Molecular_Weight	163.17
24958200	Total_Formal_Charge	0
11249084	Hydrogen_Bond_Acceptor_Count	5
29773	Total_Formal_Charge	0
2756534	Defined_Bond_Stereo_Count	0
6067	Exact_Mass	340.19463999
20949	Undefined_Bond_Stereo_Count	0
13791578	Covalent_Unit_Count	1
40442	Structure_Complexity	275
21702831	Hydrogen_Bond_Acceptor_Count	1
101050964	XLogP3-AA	1.1
2457	Undefined_Atom_Stereo_Count	0
15920952	XLogP3-AA	1
23385871	Hydrogen_Bond_Acceptor_Count	1
71391652	TPSA	35.5
70697627	Exact_Mass	1457.7262706
101175466	Defined_Atom_Stereo_Count	0
55748	Defined_Bond_Stereo_Count	0
53387026	Exact_Mass	368.20346808
128882	Mono_Isotopic_Weight	506.99574658
731361	Mono_Isotopic_Weight	315.14053348
20587	Total_Formal_Charge	0
12298579	Covalent_Unit_Count	1
24839546	Mono_Isotopic_Weight	420.13550766
9895194	Molecular_Weight	613.8
19927	XLogP3-AA	1
1570	Defined_Bond_Stereo_Count	0
9859	Hydrogen_Bond_Acceptor_Count	2
543	Structure_Complexity	304
18329111	Undefined_Atom_Stereo_Count	0
49863420	Total_Formal_Charge	1
25058183	Molecular_Weight	371.3
9577585	Isotope_Atom_Count	0
122214878	Undefined_Bond_Stereo_Count	0
23687810	TPSA	53
15411	Rotatable_Bond_Count	0
14502695	Covalent_Unit_Count	1
9857256	Non-hydrogen_Atom_Count	18
64054	Isotope_Atom_Count	0
24780	Mono_Isotopic_Weight	500.30708103
6436148	Defined_Atom_Stereo_Count	7
129821327	Isotope_Atom_Count	0
10307853	Covalent_Unit_Count	1
445063	Structure_Complexity	403
65072	Tautomer_Count	3
5284360	Isotope_Atom_Count	0
8567	Tautomer_Count	1
12241264	Defined_Atom_Stereo_Count	2
6637	Defined_Bond_Stereo_Count	0
12262506	Rotatable_Bond_Count	4
87079617	Non-hydrogen_Atom_Count	8
130144828	Undefined_Bond_Stereo_Count	0
4551	TPSA	51.1
3139	Defined_Bond_Stereo_Count	0
23724526	Mono_Isotopic_Weight	383.10961
60700	Hydrogen_Bond_Acceptor_Count	7
19001504	Hydrogen_Bond_Acceptor_Count	3
1027	Total_Formal_Charge	0
11907	Total_Formal_Charge	0
117059122	Total_Formal_Charge	0
3036703	Defined_Bond_Stereo_Count	0
11600783	Non-hydrogen_Atom_Count	12
230373	Non-hydrogen_Atom_Count	7
10047045	Mono_Isotopic_Weight	408.20490738
13854255	Undefined_Atom_Stereo_Count	0
15820984	TPSA	80.3
60336	Defined_Atom_Stereo_Count	0
447451	XLogP3-AA	5.4
281	Defined_Bond_Stereo_Count	0
37463	Structure_Complexity	84.4
20145495	Rotatable_Bond_Count	2
854418	Mono_Isotopic_Weight	267.100776666
75322	Undefined_Atom_Stereo_Count	0
219401	Hydrogen_Bond_Acceptor_Count	2
11968014	Isotope_Atom_Count	0
16541	Hydrogen_Bond_Acceptor_Count	2
129865974	XLogP3-AA	10.1
53702849	Structure_Complexity	87.7
16122612	Covalent_Unit_Count	1
91037	Total_Formal_Charge	0
10709065	Hydrogen_Bond_Acceptor_Count	4
443239	Undefined_Atom_Stereo_Count	0
69091	Covalent_Unit_Count	1
133268492	Total_Formal_Charge	0
413520	Defined_Atom_Stereo_Count	0
7430	Molecular_Weight	207.01
11156438	Total_Formal_Charge	0
91442807	XLogP3-AA	5.1
137705114	Defined_Bond_Stereo_Count	0
135421783	Total_Formal_Charge	1
130600	TPSA	13.6
81423	Defined_Bond_Stereo_Count	0
46909057	Defined_Bond_Stereo_Count	0
52940549	Exact_Mass	680.37717722
44345559	Defined_Atom_Stereo_Count	9
62329	XLogP3-AA	3.8
544	Undefined_Atom_Stereo_Count	0
551249	Covalent_Unit_Count	1
63958	Structure_Complexity	567
138378	Defined_Bond_Stereo_Count	0
10931393	Hydrogen_Bond_Acceptor_Count	2
11145	XLogP3	3.8
19829703	Isotope_Atom_Count	0
11029787	Rotatable_Bond_Count	2
5288453	Hydrogen_Bond_Acceptor_Count	12
1018	Hydrogen_Bond_Donor_Count	1
68284	Exact_Mass	163.00918496
3806	Exact_Mass	174.031694049
9877357	Structure_Complexity	89.8
23010	Hydrogen_Bond_Acceptor_Count	2
23667651	Rotatable_Bond_Count	4
12318317	Covalent_Unit_Count	1
69698	Non-hydrogen_Atom_Count	11
22833395	Molecular_Weight	198.30
2826731	Hydrogen_Bond_Donor_Count	2
14454	Structure_Complexity	48.1
58795738	TPSA	32.9
35329	Non-hydrogen_Atom_Count	39
11655595	Rotatable_Bond_Count	5
94865124	Structure_Complexity	756
8468	Total_Formal_Charge	0
11517780	Hydrogen_Bond_Acceptor_Count	7
23668192	Rotatable_Bond_Count	1
90530	Covalent_Unit_Count	1
8035	Hydrogen_Bond_Acceptor_Count	2
595999	Undefined_Atom_Stereo_Count	2
118360945	Undefined_Bond_Stereo_Count	0
284240	Hydrogen_Bond_Donor_Count	2
57391720	Structure_Complexity	1150
19756	Molecular_Weight	184.19
72684	TPSA	36.3
19077508	Undefined_Bond_Stereo_Count	0
71496458	Undefined_Bond_Stereo_Count	0
24746982	Defined_Bond_Stereo_Count	0
20590622	Rotatable_Bond_Count	0
37250	Molecular_Weight	360.9
49789564	Mono_Isotopic_Weight	298.12521776
12441659	Hydrogen_Bond_Donor_Count	0
124769752	Hydrogen_Bond_Donor_Count	1
91450840	Defined_Atom_Stereo_Count	0
5283313	Mono_Isotopic_Weight	116.083729621
231162	Defined_Atom_Stereo_Count	0
82085	Molecular_Weight	190.16
87106789	Covalent_Unit_Count	2
58387740	Mono_Isotopic_Weight	114.104465066
12040	XLogP3-AA	2.2
887	Defined_Bond_Stereo_Count	0
71462628	Rotatable_Bond_Count	9
122214804	Undefined_Bond_Stereo_Count	0
5738	Structure_Complexity	766
118975693	TPSA	29.1
24758983	Rotatable_Bond_Count	7
535535	Undefined_Atom_Stereo_Count	0
2215	Rotatable_Bond_Count	0
23662383	Mono_Isotopic_Weight	232.07452447
56845432	Covalent_Unit_Count	1
138694	Undefined_Bond_Stereo_Count	0
3146673	Defined_Atom_Stereo_Count	0
819440	Covalent_Unit_Count	1
12285878	Tautomer_Count	1
9821174	Molecular_Weight	379.5
65067	Non-hydrogen_Atom_Count	15
54676478	Hydrogen_Bond_Acceptor_Count	3
18867	Exact_Mass	224.094963011
9432	Total_Formal_Charge	0
65977	Isotope_Atom_Count	0
14294923	Non-hydrogen_Atom_Count	8
700865	TPSA	72.1
80782	Defined_Atom_Stereo_Count	0
61523	Molecular_Weight	164.24
64666310	Non-hydrogen_Atom_Count	8
123920652	Exact_Mass	110.109550447
6360	Structure_Complexity	4.8
14057	TPSA	37.3
520	XLogP3-AA	2.4
44296776	XLogP3-AA	4.3
64975	Total_Formal_Charge	0
12980109	Covalent_Unit_Count	1
87367	Mono_Isotopic_Weight	293.16584950
6440176	Undefined_Bond_Stereo_Count	0
8388	Hydrogen_Bond_Acceptor_Count	3
12397138	Non-hydrogen_Atom_Count	7
29696	Hydrogen_Bond_Acceptor_Count	3
6433091	Isotope_Atom_Count	0
16395512	Exact_Mass	822.40378589
68056645	Non-hydrogen_Atom_Count	8
16227342	Exact_Mass	109.027611728
11504295	Exact_Mass	386.18417193
13996773	TPSA	29.6
47304	Mono_Isotopic_Weight	258.173213330
101008927	Hydrogen_Bond_Acceptor_Count	2
5376	XLogP3-AA	7.1
54758308	Rotatable_Bond_Count	9
5282180	Undefined_Atom_Stereo_Count	0
218024	Isotope_Atom_Count	0
54350955	Undefined_Bond_Stereo_Count	0
18955656	Undefined_Atom_Stereo_Count	0
90281906	Total_Formal_Charge	0
12732836	Exact_Mass	153.151749610
57452847	Undefined_Bond_Stereo_Count	0
140313277	Rotatable_Bond_Count	2
24825272	Defined_Bond_Stereo_Count	0
29778	Undefined_Bond_Stereo_Count	0
41839	Hydrogen_Bond_Acceptor_Count	3
123964614	Exact_Mass	94.078250319
2775003	Hydrogen_Bond_Acceptor_Count	2
581206	Molecular_Weight	170.25
46782942	Non-hydrogen_Atom_Count	25
86488	Undefined_Bond_Stereo_Count	0
8228	Undefined_Bond_Stereo_Count	0
71897	Non-hydrogen_Atom_Count	21
18591	Covalent_Unit_Count	1
2040	Defined_Bond_Stereo_Count	0
20681301	Non-hydrogen_Atom_Count	8
154731207	Defined_Atom_Stereo_Count	8
12578246	Total_Formal_Charge	0
8843	Non-hydrogen_Atom_Count	11
15208461	Non-hydrogen_Atom_Count	7
69332601	Hydrogen_Bond_Acceptor_Count	3
637572	Tautomer_Count	1
148013616	Isotope_Atom_Count	0
57515953	Exact_Mass	460.108726
94885	Non-hydrogen_Atom_Count	13
61749380	Rotatable_Bond_Count	2
10434	Defined_Bond_Stereo_Count	0
549244	Molecular_Weight	110.11
6328182	Total_Formal_Charge	0
71583494	Mono_Isotopic_Weight	413.18517499
44338989	Defined_Atom_Stereo_Count	0
13401996	Undefined_Atom_Stereo_Count	0
680036	XLogP3-AA	2.7
45282362	Undefined_Bond_Stereo_Count	0
98051216	Isotope_Atom_Count	0
237546	Hydrogen_Bond_Donor_Count	1
2816105	Isotope_Atom_Count	0
46202081	Covalent_Unit_Count	1
24848345	Defined_Atom_Stereo_Count	0
3653	Hydrogen_Bond_Acceptor_Count	4
19979685	Non-hydrogen_Atom_Count	8
81766	Tautomer_Count	1
129888394	Mono_Isotopic_Weight	108.057514874
91668	Molecular_Weight	370.5
1329	Structure_Complexity	436
16735405	Defined_Bond_Stereo_Count	0
673681	Tautomer_Count	5
199480	Undefined_Bond_Stereo_Count	0
148837046	Non-hydrogen_Atom_Count	8
5993	Molecular_Weight	409.8
557445	Non-hydrogen_Atom_Count	8
53394791	Defined_Atom_Stereo_Count	0
22830	Rotatable_Bond_Count	4
10887879	Hydrogen_Bond_Acceptor_Count	2
26058	Total_Formal_Charge	0
5377022	Undefined_Bond_Stereo_Count	0
104775	Isotope_Atom_Count	0
667550	Undefined_Atom_Stereo_Count	0
5459811	Exact_Mass	426.386166214
5460263	TPSA	66.2
10980	Total_Formal_Charge	0
12556265	Exact_Mass	100.052429494
23954	Undefined_Atom_Stereo_Count	0
21591456	Molecular_Weight	222.37
56974851	Rotatable_Bond_Count	3
656954	Exact_Mass	271.06447134
4424	Total_Formal_Charge	0
68888	Mono_Isotopic_Weight	187.12084340
7886	Structure_Complexity	158
3664	Undefined_Bond_Stereo_Count	0
135489810	Exact_Mass	113.058911855
141738	Rotatable_Bond_Count	2
68713	Exact_Mass	255.137162174
26361	Structure_Complexity	297
441207	Isotope_Atom_Count	0
82452	Isotope_Atom_Count	0
56643412	Undefined_Atom_Stereo_Count	0
2490	Rotatable_Bond_Count	7
2734952	Molecular_Weight	246.25
398637	Covalent_Unit_Count	1
4351	Undefined_Atom_Stereo_Count	0
10290744	Undefined_Bond_Stereo_Count	0
3023651	Isotope_Atom_Count	0
54126628	Defined_Atom_Stereo_Count	0
57061642	Molecular_Weight	103.08
14208378	Defined_Bond_Stereo_Count	0
67518	Hydrogen_Bond_Donor_Count	0
68321924	TPSA	80.8
12496412	Hydrogen_Bond_Donor_Count	0
74279	Total_Formal_Charge	0
155465	Structure_Complexity	160
24450	Mono_Isotopic_Weight	173.88865848
66320	Exact_Mass	109.98373652
5318386	Tautomer_Count	1
290223	Defined_Atom_Stereo_Count	0
656902	Exact_Mass	317.05692299
99435	Isotope_Atom_Count	0
82400	Rotatable_Bond_Count	5
123015	Exact_Mass	238.110613074
42610	Structure_Complexity	521
49787020	Exact_Mass	884.52456972
44284481	Exact_Mass	2491.0220087
129833854	Hydrogen_Bond_Acceptor_Count	7
32049	Covalent_Unit_Count	1
89105	Defined_Atom_Stereo_Count	0
65409	Exact_Mass	324.89063
239041	Molecular_Weight	55.08
65256	Rotatable_Bond_Count	0
35876	Hydrogen_Bond_Donor_Count	0
14079973	Structure_Complexity	71.3
15348	Defined_Bond_Stereo_Count	0
705388	Rotatable_Bond_Count	3
44669160	Defined_Atom_Stereo_Count	0
6444186	Undefined_Atom_Stereo_Count	2
6471	Total_Formal_Charge	0
13437467	Structure_Complexity	72.1
44565778	Defined_Atom_Stereo_Count	0
64645	Defined_Bond_Stereo_Count	0
90818	Defined_Atom_Stereo_Count	0
6433345	Non-hydrogen_Atom_Count	58
62412	Isotope_Atom_Count	0
637927	Mono_Isotopic_Weight	88.052429494
12399560	Total_Formal_Charge	0
11992	Undefined_Atom_Stereo_Count	0
29739	Undefined_Bond_Stereo_Count	0
54261087	Covalent_Unit_Count	1
30140	Non-hydrogen_Atom_Count	10
105053	Undefined_Atom_Stereo_Count	0
14104	XLogP3	3.8
71608540	Defined_Atom_Stereo_Count	2
40471	Hydrogen_Bond_Acceptor_Count	0
30487	Isotope_Atom_Count	0
70934	Mono_Isotopic_Weight	70.041864811
81655	Total_Formal_Charge	0
2763	Exact_Mass	288.0319997
67598	Hydrogen_Bond_Donor_Count	0
119097769	TPSA	26.3
1747	Total_Formal_Charge	0
13909090	Hydrogen_Bond_Donor_Count	1
12075598	Rotatable_Bond_Count	0
57396607	Defined_Atom_Stereo_Count	0
11568443	TPSA	95.5
11245700	Hydrogen_Bond_Donor_Count	1
12180	Covalent_Unit_Count	1
196879	Defined_Bond_Stereo_Count	0
8250	Rotatable_Bond_Count	6
22833326	Hydrogen_Bond_Donor_Count	0
130038395	Defined_Bond_Stereo_Count	0
5458993	Exact_Mass	332.12598835
2723770	Rotatable_Bond_Count	0
3085017	Isotope_Atom_Count	0
485482	Mono_Isotopic_Weight	309.139173551
129812304	XLogP3-AA	1.7
67634	TPSA	17.1
42553	Non-hydrogen_Atom_Count	24
8189	Undefined_Bond_Stereo_Count	0
13853	Defined_Bond_Stereo_Count	0
11534	Undefined_Atom_Stereo_Count	0
138106567	Structure_Complexity	1120
23980	Hydrogen_Bond_Acceptor_Count	0
9402	Undefined_Atom_Stereo_Count	7
72093	Molecular_Weight	483.7
725692	Undefined_Atom_Stereo_Count	0
159374	Hydrogen_Bond_Donor_Count	0
27648	Defined_Atom_Stereo_Count	0
14415253	Rotatable_Bond_Count	1
78032	Hydrogen_Bond_Acceptor_Count	7
65677	Covalent_Unit_Count	1
135193	Tautomer_Count	3
57283625	Defined_Atom_Stereo_Count	0
25323	Non-hydrogen_Atom_Count	11
114017	Total_Formal_Charge	0
124600	Structure_Complexity	324
16129710	Structure_Complexity	3980
15721166	Defined_Atom_Stereo_Count	0
5284369	Undefined_Bond_Stereo_Count	0
535053	Rotatable_Bond_Count	1
43312181	Hydrogen_Bond_Donor_Count	1
11717001	Molecular_Weight	334.4
66612869	Exact_Mass	114.104465066
6537961	Covalent_Unit_Count	1
56672300	TPSA	109
20527	XLogP3-AA	2.4
13248583	Non-hydrogen_Atom_Count	8
84221363	Mono_Isotopic_Weight	98.048012819
21777	Mono_Isotopic_Weight	211.1127773
291703	Rotatable_Bond_Count	1
18962468	Undefined_Bond_Stereo_Count	0
189003	Molecular_Weight	190.18
71584541	Hydrogen_Bond_Acceptor_Count	6
773	Molecular_Weight	155.15
601293	Structure_Complexity	160
67374618	Defined_Bond_Stereo_Count	0
33	Isotope_Atom_Count	0
984456	Hydrogen_Bond_Donor_Count	2
66249	Undefined_Bond_Stereo_Count	0
56765705	Hydrogen_Bond_Donor_Count	1
96886	Rotatable_Bond_Count	4
909	Defined_Bond_Stereo_Count	0
18730046	Exact_Mass	98.109550447
92319	TPSA	23.8
35801	TPSA	0
1470718	Mono_Isotopic_Weight	315.08193293
5284469	XLogP3-AA	4.7
9210	Covalent_Unit_Count	1
71489	Mono_Isotopic_Weight	416.14633
60196363	Covalent_Unit_Count	1
20592404	Undefined_Atom_Stereo_Count	0
67296898	Exact_Mass	114.068079557
16219444	Undefined_Bond_Stereo_Count	0
13017	Total_Formal_Charge	0
11700183	Hydrogen_Bond_Donor_Count	5
6971136	Exact_Mass	232.02796859
9549303	XLogP3-AA	4.5
6438373	Defined_Bond_Stereo_Count	1
87452564	Exact_Mass	116.047344113
22858512	Defined_Bond_Stereo_Count	0
146776289	Isotope_Atom_Count	0
572565	Total_Formal_Charge	0
439517	Undefined_Bond_Stereo_Count	0
86751	Undefined_Bond_Stereo_Count	0
18432	Molecular_Weight	337.2
15335183	Defined_Bond_Stereo_Count	0
81530	Undefined_Atom_Stereo_Count	0
205953	Structure_Complexity	570
3009	Mono_Isotopic_Weight	182.08668395
118197550	Exact_Mass	103.063328530
31416	Defined_Bond_Stereo_Count	0
7616	Undefined_Bond_Stereo_Count	0
9234	Defined_Bond_Stereo_Count	0
67106798	Undefined_Atom_Stereo_Count	0
1101318	Hydrogen_Bond_Acceptor_Count	7
106358	Tautomer_Count	1
3402	Covalent_Unit_Count	1
22614138	TPSA	0
58746	Mono_Isotopic_Weight	413.19294
21246587	Defined_Bond_Stereo_Count	1
6252910	Hydrogen_Bond_Acceptor_Count	8
139134	Mono_Isotopic_Weight	105.032697108
139670117	Undefined_Bond_Stereo_Count	0
104163	Hydrogen_Bond_Donor_Count	2
89144	Exact_Mass	240.151415257
94617	Undefined_Bond_Stereo_Count	0
65109	Isotope_Atom_Count	0
573553	Undefined_Bond_Stereo_Count	0
71352	Isotope_Atom_Count	0
25657	TPSA	17.1
24763199	Mono_Isotopic_Weight	379.0854322
24715	Isotope_Atom_Count	0
5288075	Non-hydrogen_Atom_Count	54
24825251	Structure_Complexity	674
32068	Hydrogen_Bond_Donor_Count	2
84945	Molecular_Weight	483.6189
12302671	TPSA	190
5362417	Total_Formal_Charge	0
10197665	Rotatable_Bond_Count	0
876	Defined_Bond_Stereo_Count	0
598696	Defined_Atom_Stereo_Count	0
40467008	Defined_Bond_Stereo_Count	0
12400909	Structure_Complexity	157
50258	Hydrogen_Bond_Donor_Count	3
11953808	Structure_Complexity	1520
34933	Rotatable_Bond_Count	4
131839562	Undefined_Atom_Stereo_Count	2
4332	Rotatable_Bond_Count	13
87898	Molecular_Weight	223.14
14924951	Isotope_Atom_Count	0
7309	Non-hydrogen_Atom_Count	13
24883424	Undefined_Atom_Stereo_Count	0
61868	XLogP3-AA	0.6
67233953	Defined_Bond_Stereo_Count	0
76592	Total_Formal_Charge	0
6433151	TPSA	90.7
102029	Hydrogen_Bond_Donor_Count	1
134688573	Covalent_Unit_Count	1
2456	Molecular_Weight	247.31
71777654	Defined_Atom_Stereo_Count	4
3146689	Defined_Bond_Stereo_Count	0
21844441	Isotope_Atom_Count	0
92174	XLogP3-AA	1.6
61362	TPSA	17.1
25126798	Molecular_Weight	306.4
24812	Hydrogen_Bond_Donor_Count	0
65427	Undefined_Atom_Stereo_Count	1
133520	Hydrogen_Bond_Donor_Count	2
9958278	Mono_Isotopic_Weight	519.13517331
13781592	Total_Formal_Charge	0
9935	XLogP3	1.8
5666	Covalent_Unit_Count	1
3641960	Exact_Mass	226.9783716
36688137	Hydrogen_Bond_Acceptor_Count	2
41733	Hydrogen_Bond_Acceptor_Count	2
17754772	Exact_Mass	306.15929460
542317	Total_Formal_Charge	0
32592	Defined_Bond_Stereo_Count	0
21285	Covalent_Unit_Count	2
135400183	XLogP3-AA	0.3
182976	Isotope_Atom_Count	0
24871329	Exact_Mass	639.8696636
4357	Structure_Complexity	246
5281437	Total_Formal_Charge	0
94020	Non-hydrogen_Atom_Count	22
54378261	Total_Formal_Charge	0
520108	Tautomer_Count	2
3743706	Exact_Mass	127.06088375
18529	Total_Formal_Charge	0
9883149	Molecular_Weight	310.30
3357	Covalent_Unit_Count	1
3040	XLogP3	3.6
9548802	Defined_Bond_Stereo_Count	0
1169	Non-hydrogen_Atom_Count	44
248934	Total_Formal_Charge	0
11859	Covalent_Unit_Count	1
135415794	Undefined_Bond_Stereo_Count	0
650572	Structure_Complexity	490
24831714	Structure_Complexity	476
4272	Undefined_Bond_Stereo_Count	1
12326432	Covalent_Unit_Count	1
144459	Total_Formal_Charge	0
45076013	Undefined_Bond_Stereo_Count	0
91386640	TPSA	38.6
7030	Defined_Bond_Stereo_Count	0
55285315	Exact_Mass	125.07014524
16015	Structure_Complexity	724
4306515	XLogP3-AA	5.1
2463138	Non-hydrogen_Atom_Count	7
91410652	Molecular_Weight	114.14
2797779	Defined_Atom_Stereo_Count	0
5233032	Hydrogen_Bond_Acceptor_Count	0
581206	Isotope_Atom_Count	0
12699161	Rotatable_Bond_Count	0
4284	Hydrogen_Bond_Donor_Count	0
123610848	TPSA	27.1
22386086	Exact_Mass	115.063328530
8522	Exact_Mass	313.99161
24840945	Exact_Mass	127.099714038
12275548	Undefined_Atom_Stereo_Count	0
12494974	Hydrogen_Bond_Acceptor_Count	2
10909502	Total_Formal_Charge	0
9835303	Total_Formal_Charge	0
129831062	TPSA	50.3
3364	Defined_Bond_Stereo_Count	0
170297	Structure_Complexity	48.9
16721	Undefined_Bond_Stereo_Count	0
489236	Undefined_Atom_Stereo_Count	1
135431668	Undefined_Atom_Stereo_Count	1
70690020	Hydrogen_Bond_Acceptor_Count	5
6426632	Hydrogen_Bond_Acceptor_Count	10
4369080	Mono_Isotopic_Weight	427.01960774
54757209	TPSA	107
85489	TPSA	77.9
5252481	Exact_Mass	103.063328530
54592009	Undefined_Bond_Stereo_Count	0
9809	Molecular_Weight	270.55
65761	Molecular_Weight	193.22
129747104	XLogP3-AA	0.2
7895	Undefined_Bond_Stereo_Count	0
858	Hydrogen_Bond_Donor_Count	0
78438	Undefined_Atom_Stereo_Count	0
10900	Tautomer_Count	1
4366	Defined_Bond_Stereo_Count	0
66016	Total_Formal_Charge	0
90865	Hydrogen_Bond_Acceptor_Count	2
295763	TPSA	51.8
12313523	Hydrogen_Bond_Acceptor_Count	1
165558	Hydrogen_Bond_Acceptor_Count	12
18950548	Structure_Complexity	80.1
91692850	Molecular_Weight	342.30
4409	Undefined_Bond_Stereo_Count	0
625469	TPSA	151
3748774	Defined_Atom_Stereo_Count	0
776461	Total_Formal_Charge	0
114781	Hydrogen_Bond_Acceptor_Count	2
91878	Defined_Bond_Stereo_Count	0
421	Rotatable_Bond_Count	7
75714	Non-hydrogen_Atom_Count	8
34192	TPSA	45.6
16138787	Mono_Isotopic_Weight	1131.32532709
71464652	Hydrogen_Bond_Donor_Count	2
563446	Isotope_Atom_Count	0
13034799	Isotope_Atom_Count	0
9888340	Undefined_Bond_Stereo_Count	0
14240	Molecular_Weight	171.28
88314418	Defined_Atom_Stereo_Count	0
136045807	Mono_Isotopic_Weight	501.16483347
222549	Non-hydrogen_Atom_Count	18
83639	Structure_Complexity	224
69342090	Hydrogen_Bond_Acceptor_Count	2
5282433	Defined_Atom_Stereo_Count	0
163285375	Rotatable_Bond_Count	7
135438121	Tautomer_Count	5
53477948	Hydrogen_Bond_Donor_Count	1
13196775	Undefined_Bond_Stereo_Count	0
5284594	Molecular_Weight	339.4
44258	Non-hydrogen_Atom_Count	26
12977	TPSA	38.7
5635	Non-hydrogen_Atom_Count	24
7567598	Mono_Isotopic_Weight	100.088815002
259360	Molecular_Weight	105.14
68503813	Undefined_Bond_Stereo_Count	0
66769579	Rotatable_Bond_Count	0
15475335	TPSA	48.9
9066	Hydrogen_Bond_Donor_Count	1
13132266	Undefined_Bond_Stereo_Count	0
89143843	Mono_Isotopic_Weight	110.084398327
54576693	Rotatable_Bond_Count	3
694041	Exact_Mass	294.10044231
256411	Hydrogen_Bond_Donor_Count	2
369401	Molecular_Weight	248.28
64142	Defined_Atom_Stereo_Count	5
716312	Total_Formal_Charge	0
57336513	Structure_Complexity	2660
7193	Molecular_Weight	192.25
104428	Rotatable_Bond_Count	6
65622	TPSA	130
5195	Total_Formal_Charge	0
145755	Rotatable_Bond_Count	0
26041	Undefined_Bond_Stereo_Count	0
10497540	Non-hydrogen_Atom_Count	25
15432	Exact_Mass	391.19546489
9846875	Total_Formal_Charge	0
4714721	Total_Formal_Charge	0
161218	Structure_Complexity	580
147895	XLogP3	2.2
21698764	Hydrogen_Bond_Donor_Count	1
44201342	Rotatable_Bond_Count	187
12444299	TPSA	144
52421	TPSA	116
398516	Mono_Isotopic_Weight	380.13069707
5815211	Covalent_Unit_Count	1
3963	Defined_Atom_Stereo_Count	0
13000487	Structure_Complexity	0
439250	Non-hydrogen_Atom_Count	10
637991	Undefined_Bond_Stereo_Count	0
25273227	XLogP3-AA	2.7
148816436	Molecular_Weight	112.17
126710233	Exact_Mass	100.100048391
9942133	Covalent_Unit_Count	1
16950	Rotatable_Bond_Count	10
11590255	Undefined_Atom_Stereo_Count	0
6426740	Structure_Complexity	675
79724	Hydrogen_Bond_Acceptor_Count	8
59557732	Isotope_Atom_Count	0
351	Molecular_Weight	483.5
19660	XLogP3-AA	1.2
557903	Undefined_Atom_Stereo_Count	0
135398748	Hydrogen_Bond_Acceptor_Count	5
6327594	TPSA	49.9
10685477	Non-hydrogen_Atom_Count	22
11338127	Defined_Bond_Stereo_Count	0
91593	Undefined_Bond_Stereo_Count	0
121207425	Total_Formal_Charge	0
55285855	Structure_Complexity	77.7
534283	Structure_Complexity	64.6
23729877	Defined_Atom_Stereo_Count	0
888374	XLogP3-AA	2.3
9546757	Undefined_Atom_Stereo_Count	0
17860	Exact_Mass	177.126597491
71721420	Non-hydrogen_Atom_Count	8
91250151	TPSA	17.1
5216	Total_Formal_Charge	0
156323004	Total_Formal_Charge	0
59388	Molecular_Weight	291.21
122	Non-hydrogen_Atom_Count	14
5329105	Structure_Complexity	609
71798	Total_Formal_Charge	0
1099	Undefined_Bond_Stereo_Count	0
75987479	Defined_Atom_Stereo_Count	0
40302	Rotatable_Bond_Count	1
674879	Isotope_Atom_Count	0
14266	Covalent_Unit_Count	1
20279764	Mono_Isotopic_Weight	112.125200510
439456	Molecular_Weight	420.10
118209817	Undefined_Atom_Stereo_Count	0
67371	Hydrogen_Bond_Donor_Count	2
6337677	Hydrogen_Bond_Acceptor_Count	7
54848	Undefined_Bond_Stereo_Count	0
112239	Mono_Isotopic_Weight	242.224580195
11243969	Exact_Mass	315.19467705
16133850	Structure_Complexity	9740
12310749	Defined_Atom_Stereo_Count	7
12456	Rotatable_Bond_Count	2
12637622	Total_Formal_Charge	0
443943	Rotatable_Bond_Count	2
54583833	Hydrogen_Bond_Acceptor_Count	4
224167	Structure_Complexity	450
819291	Exact_Mass	116.047344113
6951563	Defined_Atom_Stereo_Count	0
102446	Non-hydrogen_Atom_Count	5
11972532	XLogP3-AA	2.3
230976	Total_Formal_Charge	0
22643	Rotatable_Bond_Count	2
643327	TPSA	57.5
57782	Rotatable_Bond_Count	5
3525005	Molecular_Weight	116.11
81832	Tautomer_Count	3
4075	Rotatable_Bond_Count	1
3034047	Total_Formal_Charge	0
12530	Isotope_Atom_Count	0
23077956	Undefined_Bond_Stereo_Count	0
3094	Mono_Isotopic_Weight	241.276950121
135747	XLogP3-AA	0.3
140979598	Hydrogen_Bond_Donor_Count	0
442482	Rotatable_Bond_Count	1
13163	Total_Formal_Charge	0
74325	Defined_Bond_Stereo_Count	0
9866767	Defined_Bond_Stereo_Count	0
13264589	Hydrogen_Bond_Acceptor_Count	1
10313457	Structure_Complexity	72.1
2724025	Covalent_Unit_Count	1
53746047	Structure_Complexity	134
5093953	Exact_Mass	228.04428736
8210	Non-hydrogen_Atom_Count	15
79905	Mono_Isotopic_Weight	132.09727168
80032	Defined_Atom_Stereo_Count	0
49831162	Rotatable_Bond_Count	6
176505	Defined_Atom_Stereo_Count	0
95566291	XLogP3-AA	5.1
3839223	Hydrogen_Bond_Acceptor_Count	3
319344	Rotatable_Bond_Count	13
83814964	Undefined_Bond_Stereo_Count	0
1069	Defined_Bond_Stereo_Count	0
445501	Total_Formal_Charge	0
3337411	Molecular_Weight	388.31
11574638	TPSA	53.1
17795	Hydrogen_Bond_Acceptor_Count	0
5353788	Undefined_Atom_Stereo_Count	0
83486	Molecular_Weight	354.89
3243927	XLogP3-AA	2.7
22481615	Undefined_Atom_Stereo_Count	2
2567	Mono_Isotopic_Weight	339.007053
57054	Defined_Atom_Stereo_Count	0
165495	Covalent_Unit_Count	4
10700	Defined_Atom_Stereo_Count	0
167685	Rotatable_Bond_Count	5
19083150	Rotatable_Bond_Count	0
134564038	Rotatable_Bond_Count	0
134688993	Molecular_Weight	263.78
3293	Hydrogen_Bond_Donor_Count	1
129	Covalent_Unit_Count	1
84179	Undefined_Bond_Stereo_Count	0
51505	Rotatable_Bond_Count	10
5918	Isotope_Atom_Count	0
9548590	Defined_Atom_Stereo_Count	10
23663979	Defined_Atom_Stereo_Count	4
2564	Isotope_Atom_Count	0
20548476	Non-hydrogen_Atom_Count	7
55062	Rotatable_Bond_Count	3
91604	Mono_Isotopic_Weight	210.161979940
558	Exact_Mass	173.08004122
295042	Molecular_Weight	288.77
12298493	TPSA	44
135398670	Undefined_Atom_Stereo_Count	0
521759	Non-hydrogen_Atom_Count	7
443046	Undefined_Atom_Stereo_Count	3
9855454	Undefined_Atom_Stereo_Count	1
9816506	Exact_Mass	255.11201006
951	Defined_Bond_Stereo_Count	0
14974	Molecular_Weight	867.0
10801933	Undefined_Bond_Stereo_Count	0
11073365	Defined_Bond_Stereo_Count	0
3083585	Mono_Isotopic_Weight	176.047344113
91301938	TPSA	26.3
12352	TPSA	23.8
706054	Exact_Mass	278.153146591
10942665	Hydrogen_Bond_Donor_Count	0
122738	TPSA	221
84647652	TPSA	58.9
56955286	Exact_Mass	367.168462302
153929434	Structure_Complexity	99.9
86252	Exact_Mass	294.1247389
11597936	Hydrogen_Bond_Donor_Count	1
519726	Defined_Atom_Stereo_Count	0
16212360	Total_Formal_Charge	0
15993	Non-hydrogen_Atom_Count	30
17820197	Hydrogen_Bond_Donor_Count	0
10219163	Undefined_Bond_Stereo_Count	0
154101	Covalent_Unit_Count	1
4557	Covalent_Unit_Count	1
11625386	Undefined_Bond_Stereo_Count	0
79322731	Non-hydrogen_Atom_Count	8
117965	Exact_Mass	324.1968412
6211	Non-hydrogen_Atom_Count	9
90509	Defined_Atom_Stereo_Count	0
128815	Covalent_Unit_Count	1
56955186	Covalent_Unit_Count	1
161236	Structure_Complexity	372
83191	Structure_Complexity	42.2
232446	TPSA	40.5
154574010	Non-hydrogen_Atom_Count	17
78035	Mono_Isotopic_Weight	83.048347172
98491	Non-hydrogen_Atom_Count	17
19095	Rotatable_Bond_Count	2
88153938	Structure_Complexity	93.1
71541189	Undefined_Bond_Stereo_Count	0
50896	Rotatable_Bond_Count	6
9815326	Hydrogen_Bond_Acceptor_Count	4
562634	XLogP3-AA	3.3
71306415	Isotope_Atom_Count	0
10272953	Structure_Complexity	757
134715568	Exact_Mass	570.34512703
15412	Total_Formal_Charge	0
1162	Covalent_Unit_Count	1
274730	Hydrogen_Bond_Acceptor_Count	7
78352	Defined_Bond_Stereo_Count	0
17963201	Undefined_Bond_Stereo_Count	0
33287	Molecular_Weight	126.22
5459124	Hydrogen_Bond_Donor_Count	1
9865223	Total_Formal_Charge	0
44126083	Rotatable_Bond_Count	5
46916	Rotatable_Bond_Count	5
107282	Hydrogen_Bond_Donor_Count	0
867	Molecular_Weight	104.06
8794	Hydrogen_Bond_Acceptor_Count	1
76220109	XLogP3-AA	0.2
44596	Molecular_Weight	129.24
34710	TPSA	29.5
54601732	Mono_Isotopic_Weight	765.18484335
9012	Covalent_Unit_Count	1
388136	Hydrogen_Bond_Donor_Count	1
88482362	Structure_Complexity	182
16091082	Defined_Atom_Stereo_Count	0
173636	Hydrogen_Bond_Donor_Count	2
31621	Molecular_Weight	300.4
21192814	Covalent_Unit_Count	1
6360	Undefined_Atom_Stereo_Count	0
4831	Defined_Atom_Stereo_Count	0
3015009	Hydrogen_Bond_Acceptor_Count	0
446816	Defined_Atom_Stereo_Count	0
4054588	Undefined_Bond_Stereo_Count	1
164513759	Defined_Atom_Stereo_Count	0
7029	Structure_Complexity	193
2555	Structure_Complexity	358
2773450	Hydrogen_Bond_Donor_Count	1
102452877	Total_Formal_Charge	0
9933004	Rotatable_Bond_Count	6
8678	Mono_Isotopic_Weight	182.105527694
22062700	Defined_Atom_Stereo_Count	0
443423	Exact_Mass	286.13174244
287071	Undefined_Bond_Stereo_Count	0
5743836	Exact_Mass	249.13649347
5460221	Exact_Mass	281.248055291
9831581	Defined_Bond_Stereo_Count	0
49865863	Covalent_Unit_Count	1
123565918	Isotope_Atom_Count	0
61109	Covalent_Unit_Count	1
73742	XLogP3	1.9
10126019	XLogP3-AA	2.4
3034351	Undefined_Bond_Stereo_Count	0
73947328	Exact_Mass	179.07937252
148931549	Total_Formal_Charge	0
135537958	Undefined_Atom_Stereo_Count	0
656612	Hydrogen_Bond_Donor_Count	0
19782023	Covalent_Unit_Count	1
14724482	Structure_Complexity	2720
17898	Total_Formal_Charge	0
3674	Undefined_Bond_Stereo_Count	1
23690449	Structure_Complexity	334
18999023	Rotatable_Bond_Count	1
6452419	Covalent_Unit_Count	1
57473	TPSA	47.6
36588	Non-hydrogen_Atom_Count	10
71464121	Undefined_Bond_Stereo_Count	0
16129629	Tautomer_Count	998
118855910	Structure_Complexity	151
135920954	Total_Formal_Charge	0
3478696	Undefined_Bond_Stereo_Count	0
9818919	Exact_Mass	331.06920175
247469	TPSA	40.5
11446305	TPSA	33
24901144	Structure_Complexity	644
4594	Tautomer_Count	2
18142	TPSA	35.5
11279	Structure_Complexity	155
18606	Hydrogen_Bond_Donor_Count	0
24916941	Undefined_Atom_Stereo_Count	0
138971591	Undefined_Atom_Stereo_Count	1
50964	TPSA	27.7
65902	XLogP3-AA	3.4
44183	Defined_Atom_Stereo_Count	0
8500	Mono_Isotopic_Weight	134.073164938
22899343	Hydrogen_Bond_Donor_Count	1
53477778	Mono_Isotopic_Weight	518.18602241
70693117	Undefined_Atom_Stereo_Count	0
11305985	Defined_Bond_Stereo_Count	0
637892	Defined_Atom_Stereo_Count	0
6441283	Isotope_Atom_Count	0
21031	Covalent_Unit_Count	1
92162	Covalent_Unit_Count	1
63896	Defined_Bond_Stereo_Count	0
833	Undefined_Bond_Stereo_Count	0
5311053	Undefined_Atom_Stereo_Count	0
22725651	Rotatable_Bond_Count	0
24868270	Undefined_Atom_Stereo_Count	0
13196775	Rotatable_Bond_Count	2
62858	Defined_Atom_Stereo_Count	2
524955	Non-hydrogen_Atom_Count	8
5477380	Covalent_Unit_Count	1
13695806	Non-hydrogen_Atom_Count	8
17907809	Total_Formal_Charge	0
68705	Defined_Bond_Stereo_Count	0
135484646	Hydrogen_Bond_Acceptor_Count	2
3081372	Undefined_Bond_Stereo_Count	0
5241	TPSA	52.9
21263577	Total_Formal_Charge	0
701621	Mono_Isotopic_Weight	329.08634960
88976	Defined_Bond_Stereo_Count	0
57202251	Covalent_Unit_Count	1
107992	Mono_Isotopic_Weight	198.0672241
13756	Total_Formal_Charge	0
5312115	Undefined_Atom_Stereo_Count	0
456161	Undefined_Bond_Stereo_Count	0
6378383	Mono_Isotopic_Weight	357.209264485
11858153	Structure_Complexity	423
57641	Defined_Bond_Stereo_Count	0
9794056	Defined_Atom_Stereo_Count	5
133268467	Hydrogen_Bond_Acceptor_Count	3
124605148	Defined_Atom_Stereo_Count	14
3045335	Mono_Isotopic_Weight	492.2391000
10271170	Hydrogen_Bond_Donor_Count	2
66320	Isotope_Atom_Count	0
2762874	Hydrogen_Bond_Donor_Count	0
9794218	Undefined_Bond_Stereo_Count	0
7017101	Hydrogen_Bond_Donor_Count	0
129634850	Isotope_Atom_Count	0
14791281	Non-hydrogen_Atom_Count	13
21786118	Defined_Bond_Stereo_Count	0
155907170	TPSA	186
137375527	Mono_Isotopic_Weight	406.04292
11396	Non-hydrogen_Atom_Count	12
5283078	Exact_Mass	354.24062418
10313102	Isotope_Atom_Count	0
4235	Undefined_Bond_Stereo_Count	0
44251266	Undefined_Bond_Stereo_Count	0
67899	Rotatable_Bond_Count	0
89200515	Defined_Atom_Stereo_Count	3
69568	Structure_Complexity	106
12094059	Undefined_Atom_Stereo_Count	0
2645	Non-hydrogen_Atom_Count	37
667550	Isotope_Atom_Count	0
14815775	XLogP3-AA	0.1
52941568	Hydrogen_Bond_Donor_Count	0
73584	Mono_Isotopic_Weight	307.15320616
254592	Total_Formal_Charge	0
46226173	Undefined_Bond_Stereo_Count	0
123288617	Isotope_Atom_Count	0
123516214	Total_Formal_Charge	0
86607	TPSA	46.5
50997747	Total_Formal_Charge	0
65955	Mono_Isotopic_Weight	140.058577502
56663313	Undefined_Bond_Stereo_Count	0
29801	Covalent_Unit_Count	2
45934310	Defined_Atom_Stereo_Count	4
20198022	Undefined_Bond_Stereo_Count	0
66837179	Exact_Mass	118.062994177
59680984	Hydrogen_Bond_Acceptor_Count	1
123732032	Isotope_Atom_Count	0
3420996	XLogP3-AA	3.9
228	Mono_Isotopic_Weight	427.01989983
3674	Molecular_Weight	311.3
9846339	Defined_Bond_Stereo_Count	0
6623	Rotatable_Bond_Count	2
67547	Defined_Atom_Stereo_Count	0
44272237	Isotope_Atom_Count	0
6328684	Total_Formal_Charge	1
134973	TPSA	15.3
542335	Rotatable_Bond_Count	3
12507	Covalent_Unit_Count	1
175854	Hydrogen_Bond_Acceptor_Count	2
160718893	Non-hydrogen_Atom_Count	8
91694113	Molecular_Weight	242.31
84866	Non-hydrogen_Atom_Count	14
72131	Hydrogen_Bond_Acceptor_Count	4
18669439	Rotatable_Bond_Count	0
9793848	Molecular_Weight	150.16
40602794	Molecular_Weight	170.08
59755737	Hydrogen_Bond_Donor_Count	0
129730	Covalent_Unit_Count	1
54205474	TPSA	12
71899	Total_Formal_Charge	0
11313946	Hydrogen_Bond_Acceptor_Count	4
15671	Isotope_Atom_Count	0
56666341	Defined_Bond_Stereo_Count	0
7237253	Non-hydrogen_Atom_Count	27
5317	Undefined_Atom_Stereo_Count	4
55290887	Structure_Complexity	94
12046	Isotope_Atom_Count	0
80779	Hydrogen_Bond_Donor_Count	2
17151	Structure_Complexity	186
1761	Undefined_Bond_Stereo_Count	0
53678703	Isotope_Atom_Count	0
2303	Rotatable_Bond_Count	3
24901283	Undefined_Bond_Stereo_Count	0
7790	TPSA	52.6
136505	Mono_Isotopic_Weight	102.068079557
66749731	Hydrogen_Bond_Donor_Count	2
18016	Rotatable_Bond_Count	16
11526038	Molecular_Weight	490.5
23723027	Undefined_Atom_Stereo_Count	0
24939268	Undefined_Atom_Stereo_Count	0
3037	Structure_Complexity	226
283242	XLogP3	2.1
287180	TPSA	70.5
138059742	Rotatable_Bond_Count	3
8805	Rotatable_Bond_Count	3
31263	Defined_Atom_Stereo_Count	0
637593	Hydrogen_Bond_Acceptor_Count	1
66100	Mono_Isotopic_Weight	292.13910305
5364759	Isotope_Atom_Count	0
129606990	Exact_Mass	915.51914999
16562	Structure_Complexity	253
58040	Undefined_Atom_Stereo_Count	1
22172474	Defined_Bond_Stereo_Count	0
21864560	Structure_Complexity	1930
245005	XLogP3-AA	0.3
54106033	TPSA	26
914	TPSA	65.1
65533	Hydrogen_Bond_Donor_Count	6
162883449	Defined_Atom_Stereo_Count	16
521156	Isotope_Atom_Count	0
9806489	Hydrogen_Bond_Donor_Count	2
440175	Rotatable_Bond_Count	3
127030167	Hydrogen_Bond_Donor_Count	6
23380334	Total_Formal_Charge	0
142262	Defined_Bond_Stereo_Count	0
107697	Hydrogen_Bond_Donor_Count	2
123630180	Hydrogen_Bond_Donor_Count	0
640096	Undefined_Atom_Stereo_Count	0
448055	Hydrogen_Bond_Donor_Count	1
22615	Isotope_Atom_Count	0
153685445	Exact_Mass	95.073499291
5359967	Mono_Isotopic_Weight	114.9038788
439280	Rotatable_Bond_Count	3
91434	Rotatable_Bond_Count	4
88133875	Hydrogen_Bond_Donor_Count	0
41505	Isotope_Atom_Count	0
7482	Defined_Atom_Stereo_Count	0
13511141	Non-hydrogen_Atom_Count	13
14819036	Molecular_Weight	78.07
14535399	Exact_Mass	106.9899821
70754	Rotatable_Bond_Count	0
6014	Mono_Isotopic_Weight	320.1113975
86566	Mono_Isotopic_Weight	282.328651340
151115	Hydrogen_Bond_Acceptor_Count	7
13519	XLogP3-AA	1.3
23238238	TPSA	168
15008962	Isotope_Atom_Count	0
25133631	Mono_Isotopic_Weight	380.16485409
130390356	Non-hydrogen_Atom_Count	8
66829	Mono_Isotopic_Weight	162.02854067
18527351	Non-hydrogen_Atom_Count	22
68015385	Isotope_Atom_Count	0
2188	Defined_Bond_Stereo_Count	0
49866692	Exact_Mass	293.1294900
54152337	Mono_Isotopic_Weight	358.1183161
78847	TPSA	81.6
63255	Exact_Mass	288.07103389
10941	Mono_Isotopic_Weight	180.0221037
90753032	TPSA	190
107766	Total_Formal_Charge	0
67215	Covalent_Unit_Count	1
89138284	XLogP3-AA	1.8
166796	Rotatable_Bond_Count	5
518700	TPSA	1
15535737	Hydrogen_Bond_Acceptor_Count	2
702015	Exact_Mass	260.10485899
53741494	Covalent_Unit_Count	1
24639	Total_Formal_Charge	0
643497	Molecular_Weight	341.4
11029761	TPSA	40.5
60155097	Defined_Bond_Stereo_Count	0
72849	Non-hydrogen_Atom_Count	19
9462	Structure_Complexity	167
63089348	Total_Formal_Charge	0
117045887	Mono_Isotopic_Weight	95.073499291
11582982	Molecular_Weight	438.6
22061818	TPSA	52.9
86640	Non-hydrogen_Atom_Count	13
44554	Structure_Complexity	945
65923	Hydrogen_Bond_Donor_Count	0
455041	Structure_Complexity	331
12331	Hydrogen_Bond_Donor_Count	1
24807494	Non-hydrogen_Atom_Count	8
73648	XLogP3-AA	3.2
70693584	Isotope_Atom_Count	0
129012189	Rotatable_Bond_Count	7
9861	Defined_Bond_Stereo_Count	0
60196377	Non-hydrogen_Atom_Count	10
69160	Covalent_Unit_Count	1
60988	Defined_Bond_Stereo_Count	0
69595	Undefined_Atom_Stereo_Count	0
10784	Defined_Bond_Stereo_Count	0
19169	Defined_Atom_Stereo_Count	0
7656	Undefined_Bond_Stereo_Count	0
21977262	Molecular_Weight	212.00
90813484	Hydrogen_Bond_Acceptor_Count	2
72199540	Defined_Bond_Stereo_Count	0
545422	Defined_Bond_Stereo_Count	0
12920383	Defined_Bond_Stereo_Count	0
13187	Molecular_Weight	142.24
2762816	Defined_Atom_Stereo_Count	0
132305	Hydrogen_Bond_Acceptor_Count	7
79146	Tautomer_Count	1
135408511	Mono_Isotopic_Weight	323.199762429
74208	Undefined_Atom_Stereo_Count	0
101544	Undefined_Atom_Stereo_Count	0
101815863	Defined_Atom_Stereo_Count	0
54915	XLogP3-AA	6.2
24848413	Defined_Atom_Stereo_Count	0
91339524	Molecular_Weight	96.13
139243814	Hydrogen_Bond_Acceptor_Count	0
12298579	Undefined_Atom_Stereo_Count	0
564184	Rotatable_Bond_Count	0
33874	Hydrogen_Bond_Donor_Count	2
20220664	Hydrogen_Bond_Acceptor_Count	2
75530316	Defined_Bond_Stereo_Count	0
109094	Undefined_Atom_Stereo_Count	0
10080510	Tautomer_Count	1
81902	Rotatable_Bond_Count	1
443928	Mono_Isotopic_Weight	434.21046687
146159775	Total_Formal_Charge	0
51894	Non-hydrogen_Atom_Count	15
12259685	Non-hydrogen_Atom_Count	21
9601896	Defined_Atom_Stereo_Count	0
10715582	Isotope_Atom_Count	0
62827	Mono_Isotopic_Weight	495.3874489
20592404	Isotope_Atom_Count	0
8991	Molecular_Weight	152.15
446973	Exact_Mass	90.068079557
11292	Total_Formal_Charge	0
6319	Molecular_Weight	260.3
444008	Undefined_Atom_Stereo_Count	0
26662	Hydrogen_Bond_Donor_Count	0
656615	Molecular_Weight	358.5
52950127	Hydrogen_Bond_Donor_Count	1
4369084	Structure_Complexity	477
57504473	Non-hydrogen_Atom_Count	35
57370827	Molecular_Weight	112.08
145744	Tautomer_Count	2
68983	Mono_Isotopic_Weight	76.044187285
69498345	Defined_Bond_Stereo_Count	0
123648	Mono_Isotopic_Weight	198.99392881
71777705	Covalent_Unit_Count	1
54120990	Undefined_Atom_Stereo_Count	0
2721	Isotope_Atom_Count	0
7825	Defined_Bond_Stereo_Count	0
21202	XLogP3-AA	5.3
4376	Covalent_Unit_Count	1
11451	Molecular_Weight	174.18
78553	Exact_Mass	215.96083
20589301	Molecular_Weight	96.13
14821	TPSA	32.1
657302	Structure_Complexity	356
17745	Undefined_Atom_Stereo_Count	1
62414	Total_Formal_Charge	0
168299	Covalent_Unit_Count	3
5382	Tautomer_Count	1
57493771	Defined_Bond_Stereo_Count	0
521300	Undefined_Atom_Stereo_Count	0
7746	Covalent_Unit_Count	1
25116186	TPSA	114
147707445	Total_Formal_Charge	0
55804	Structure_Complexity	150
72518	Hydrogen_Bond_Donor_Count	5
67641738	Mono_Isotopic_Weight	180.06338810
143162854	Molecular_Weight	110.16
44563327	Molecular_Weight	518.4
249502	Structure_Complexity	127
9746	Defined_Bond_Stereo_Count	0
115817	Undefined_Bond_Stereo_Count	0
25780	TPSA	39.7
10459649	Hydrogen_Bond_Acceptor_Count	9
123271707	Undefined_Atom_Stereo_Count	5
18952325	TPSA	38.4
19212	Molecular_Weight	464.6
46934729	Undefined_Atom_Stereo_Count	0
6921705	Rotatable_Bond_Count	2
6366720	Structure_Complexity	365
448014	TPSA	137
93205	Covalent_Unit_Count	1
118578546	Molecular_Weight	100.16
233916	Covalent_Unit_Count	1
9934283	Defined_Atom_Stereo_Count	0
7546	Exact_Mass	185.084063974
9810709	Undefined_Atom_Stereo_Count	0
15639205	Tautomer_Count	1
91256663	Defined_Bond_Stereo_Count	0
165971	Total_Formal_Charge	0
154183660	Defined_Bond_Stereo_Count	0
115348	Isotope_Atom_Count	0
46853632	Molecular_Weight	451.5
12287	Defined_Bond_Stereo_Count	0
71057888	Defined_Atom_Stereo_Count	11
134693124	Isotope_Atom_Count	0
5746414	Hydrogen_Bond_Acceptor_Count	3
1344	Mono_Isotopic_Weight	114.115698455
5523	Rotatable_Bond_Count	4
55917	Undefined_Atom_Stereo_Count	0
71454296	Defined_Atom_Stereo_Count	1
56991328	Defined_Bond_Stereo_Count	0
2279	Covalent_Unit_Count	1
84883	Defined_Bond_Stereo_Count	0
7753	Hydrogen_Bond_Acceptor_Count	1
91348407	Covalent_Unit_Count	1
42070	Hydrogen_Bond_Acceptor_Count	2
54598306	Rotatable_Bond_Count	3
16412	Undefined_Bond_Stereo_Count	0
734	Undefined_Bond_Stereo_Count	1
44629654	Mono_Isotopic_Weight	220.170139325
445461	Total_Formal_Charge	0
11061	Structure_Complexity	313
17279	Defined_Atom_Stereo_Count	0
6388	Covalent_Unit_Count	1
44119936	Undefined_Atom_Stereo_Count	0
3083445	Undefined_Bond_Stereo_Count	0
4126474	Undefined_Atom_Stereo_Count	0
9929138	Hydrogen_Bond_Donor_Count	2
8080	Undefined_Bond_Stereo_Count	0
33503	XLogP3-AA	5.3
5460291	Structure_Complexity	104
7371	Defined_Bond_Stereo_Count	0
88261	Hydrogen_Bond_Donor_Count	2
53238011	Defined_Atom_Stereo_Count	0
875	TPSA	115
22648408	Defined_Bond_Stereo_Count	0
16213698	Total_Formal_Charge	0
17046	Defined_Bond_Stereo_Count	0
2887	Covalent_Unit_Count	1
231360	Total_Formal_Charge	0
94910	Exact_Mass	226.0760574
74320	Undefined_Atom_Stereo_Count	0
78968	Non-hydrogen_Atom_Count	6
512289	Undefined_Bond_Stereo_Count	0
10997046	Tautomer_Count	1
2453	Hydrogen_Bond_Acceptor_Count	2
107250	Defined_Bond_Stereo_Count	0
135510215	Hydrogen_Bond_Acceptor_Count	5
68384915	TPSA	57.2
11572	Mono_Isotopic_Weight	96.093900383
67236	Mono_Isotopic_Weight	264.078644241
95866	Isotope_Atom_Count	0
18720	Isotope_Atom_Count	0
20711973	Exact_Mass	105.057849228
21040078	Hydrogen_Bond_Donor_Count	1
12040508	Structure_Complexity	457
11543	Undefined_Bond_Stereo_Count	0
20299950	Molecular_Weight	114.17
14976739	Isotope_Atom_Count	0
132998	Non-hydrogen_Atom_Count	30
85538179	Hydrogen_Bond_Acceptor_Count	3
24721540	Covalent_Unit_Count	2
28064676	Non-hydrogen_Atom_Count	7
67462100	Structure_Complexity	592
79476	Structure_Complexity	242
16395512	Non-hydrogen_Atom_Count	58
9830317	Exact_Mass	608.0995698
823960	Covalent_Unit_Count	1
78972	Defined_Bond_Stereo_Count	0
9581	TPSA	32.3
634	Undefined_Atom_Stereo_Count	3
162955682	Isotope_Atom_Count	0
150899	Isotope_Atom_Count	0
131709170	Hydrogen_Bond_Donor_Count	9
4369270	Undefined_Atom_Stereo_Count	0
135349	Molecular_Weight	465.4
53724680	Defined_Bond_Stereo_Count	0
465585	Molecular_Weight	582.7
1197	Non-hydrogen_Atom_Count	20
52947016	Covalent_Unit_Count	1
5281793	Hydrogen_Bond_Acceptor_Count	10
16666	TPSA	20.2
12275548	Isotope_Atom_Count	0
17533	Covalent_Unit_Count	1
14809953	Hydrogen_Bond_Acceptor_Count	1
446222	Mono_Isotopic_Weight	133.07389321
67975127	Isotope_Atom_Count	0
71453618	Covalent_Unit_Count	1
11105655	Exact_Mass	159.9749636
41718	Hydrogen_Bond_Donor_Count	0
11949285	XLogP3	3.4
5357696	Mono_Isotopic_Weight	84.91178974
101301	Structure_Complexity	503
36552	Exact_Mass	427.05079224
45256108	Undefined_Bond_Stereo_Count	0
19223	Covalent_Unit_Count	1
6918580	Isotope_Atom_Count	0
89479318	Rotatable_Bond_Count	0
12040	Mono_Isotopic_Weight	116.120115130
96261	XLogP3	3
180288	Isotope_Atom_Count	0
21693	Rotatable_Bond_Count	10
22833307	Covalent_Unit_Count	1
11971580	Undefined_Atom_Stereo_Count	3
11254899	Structure_Complexity	156
185902	Hydrogen_Bond_Acceptor_Count	6
80599	TPSA	1
631779	Defined_Bond_Stereo_Count	0
512984	XLogP3-AA	2.9
16722126	XLogP3-AA	2.1
25563891	Hydrogen_Bond_Acceptor_Count	2
123400934	Mono_Isotopic_Weight	106.078250319
5288606	Hydrogen_Bond_Acceptor_Count	1
11306	Defined_Atom_Stereo_Count	0
345901	Undefined_Bond_Stereo_Count	0
91788	Undefined_Atom_Stereo_Count	1
49865922	Non-hydrogen_Atom_Count	26
92139	Non-hydrogen_Atom_Count	15
7752	Covalent_Unit_Count	1
5045307	Hydrogen_Bond_Acceptor_Count	21
4108	Covalent_Unit_Count	1
25111945	TPSA	65.7
4377	Non-hydrogen_Atom_Count	7
636857	TPSA	121
67180	Hydrogen_Bond_Acceptor_Count	2
398652	Hydrogen_Bond_Acceptor_Count	5
11239	Hydrogen_Bond_Donor_Count	0
21700	Hydrogen_Bond_Donor_Count	1
11258643	Undefined_Bond_Stereo_Count	0
24183437	Defined_Bond_Stereo_Count	0
522693	Defined_Atom_Stereo_Count	0
14202705	Hydrogen_Bond_Acceptor_Count	1
71464685	Exact_Mass	478.24274944
3003791	Rotatable_Bond_Count	2
43116	Exact_Mass	851.37752882
548678	TPSA	29.1
12339044	Isotope_Atom_Count	0
22463764	Rotatable_Bond_Count	1
8173	Isotope_Atom_Count	0
637996	Hydrogen_Bond_Donor_Count	0
24825758	Molecular_Weight	1169.5
60028369	Mono_Isotopic_Weight	153.151749610
6373	Undefined_Bond_Stereo_Count	0
10405144	Structure_Complexity	243
5059	Tautomer_Count	1
6983	Total_Formal_Charge	0
123570	Defined_Bond_Stereo_Count	0
78249	Structure_Complexity	186
15448870	TPSA	0
14022511	Undefined_Atom_Stereo_Count	0
6604724	Defined_Bond_Stereo_Count	0
16224	Tautomer_Count	1
4532218	Molecular_Weight	106.19
9993	Rotatable_Bond_Count	0
3714053	TPSA	54.8
1050	Total_Formal_Charge	0
46241268	Total_Formal_Charge	0
9908268	Undefined_Bond_Stereo_Count	0
118669896	Molecular_Weight	112.17
131167766	Hydrogen_Bond_Donor_Count	0
542892	Defined_Bond_Stereo_Count	0
10697956	Undefined_Bond_Stereo_Count	0
13546	Exact_Mass	114.068079557
73442840	Total_Formal_Charge	0
6746	Total_Formal_Charge	0
4142809	Total_Formal_Charge	0
374	Exact_Mass	202.01135253
9908306	Non-hydrogen_Atom_Count	27
10104496	Hydrogen_Bond_Acceptor_Count	4
8405	Mono_Isotopic_Weight	129.057849228
84063980	Defined_Bond_Stereo_Count	0
44358318	Mono_Isotopic_Weight	450.15421043
86093867	Total_Formal_Charge	0
123831	Covalent_Unit_Count	1
60785	Tautomer_Count	1
121601231	Total_Formal_Charge	0
8063	XLogP3-AA	1.1
443156	Defined_Atom_Stereo_Count	2
46882191	Hydrogen_Bond_Donor_Count	1
60982	Tautomer_Count	13
25099	Molecular_Weight	301.4
14803	Structure_Complexity	4
68702	Molecular_Weight	266.30
5362420	Defined_Bond_Stereo_Count	0
10175096	Defined_Bond_Stereo_Count	0
134694951	Covalent_Unit_Count	2
13399110	Undefined_Atom_Stereo_Count	0
3045400	XLogP3-AA	3
98051220	Molecular_Weight	364.9
637997	Hydrogen_Bond_Donor_Count	1
6917733	Non-hydrogen_Atom_Count	31
2531445	Undefined_Atom_Stereo_Count	0
9094	Rotatable_Bond_Count	0
5203	Hydrogen_Bond_Donor_Count	1
6603720	Tautomer_Count	4
136874	Defined_Atom_Stereo_Count	0
15690	Isotope_Atom_Count	0
426409	Undefined_Atom_Stereo_Count	1
6336554	Defined_Bond_Stereo_Count	0
92943	Isotope_Atom_Count	0
139062015	Covalent_Unit_Count	2
159563	Hydrogen_Bond_Donor_Count	2
107715	Tautomer_Count	4
23158752	Undefined_Bond_Stereo_Count	0
471161	Isotope_Atom_Count	0
101771	Hydrogen_Bond_Donor_Count	2
3316	Total_Formal_Charge	0
13758360	Exact_Mass	112.100048391
130956	Exact_Mass	322.01197472
48207	Total_Formal_Charge	0
58806287	Total_Formal_Charge	0
2760115	Tautomer_Count	1
61585	XLogP3-AA	5
9107	XLogP3-AA	5.6
22812306	Hydrogen_Bond_Acceptor_Count	1
521807	Undefined_Bond_Stereo_Count	0
65918814	Isotope_Atom_Count	0
447956	Covalent_Unit_Count	1
22062700	Mono_Isotopic_Weight	101.084063974
3340152	Rotatable_Bond_Count	1
90375453	Molecular_Weight	100.12
78392	Non-hydrogen_Atom_Count	11
503327	Total_Formal_Charge	0
5359423	XLogP3	3.4
12049	Hydrogen_Bond_Donor_Count	1
460621	Rotatable_Bond_Count	22
9934033	Undefined_Bond_Stereo_Count	0
12582	Tautomer_Count	1
59018485	Total_Formal_Charge	0
54063398	Non-hydrogen_Atom_Count	7
5324781	TPSA	41.8
5330	Mono_Isotopic_Weight	280.06301143
9816506	Non-hydrogen_Atom_Count	19
6371716	Defined_Atom_Stereo_Count	0
3385	Molecular_Weight	130.08
20644245	Structure_Complexity	77.4
68258	Mono_Isotopic_Weight	148.088815002
10351670	Undefined_Bond_Stereo_Count	0
108156	Structure_Complexity	546
103656	Defined_Atom_Stereo_Count	0
70695634	Undefined_Bond_Stereo_Count	0
70636	XLogP3	2.7
878	Mono_Isotopic_Weight	48.00337130
129009962	Non-hydrogen_Atom_Count	115
57396150	Mono_Isotopic_Weight	462.23007675
5281525	Total_Formal_Charge	0
87713	Undefined_Bond_Stereo_Count	0
4929	Mono_Isotopic_Weight	241.13611680
90248267	Molecular_Weight	102.14
62904	Hydrogen_Bond_Donor_Count	0
2334	Undefined_Atom_Stereo_Count	0
237041	Undefined_Atom_Stereo_Count	0
4216510	TPSA	223
41377	Hydrogen_Bond_Acceptor_Count	1
69389	Hydrogen_Bond_Acceptor_Count	1
566589	Tautomer_Count	2
44395035	XLogP3-AA	4.9
24848261	Defined_Bond_Stereo_Count	0
5464343	Defined_Bond_Stereo_Count	0
10997012	Molecular_Weight	118.13
11565289	Undefined_Atom_Stereo_Count	1
30360	XLogP3	1.5
9570438	Defined_Atom_Stereo_Count	0
90698789	Undefined_Atom_Stereo_Count	0
12441662	TPSA	20.2
86017	Non-hydrogen_Atom_Count	16
5270603	Molecular_Weight	242.23
20056625	Isotope_Atom_Count	0
66059	Hydrogen_Bond_Donor_Count	1
20228407	Isotope_Atom_Count	0
49866505	Isotope_Atom_Count	0
50993724	Defined_Bond_Stereo_Count	0
9843089	Tautomer_Count	1
53689772	Defined_Atom_Stereo_Count	0
11625818	Defined_Atom_Stereo_Count	1
56659	Total_Formal_Charge	0
152031	Undefined_Bond_Stereo_Count	0
163091	Hydrogen_Bond_Donor_Count	0
10044792	Hydrogen_Bond_Acceptor_Count	6
10024	Exact_Mass	104.083729621
12037	Undefined_Atom_Stereo_Count	0
7910	XLogP3-AA	1.7
26514	Defined_Atom_Stereo_Count	0
21868057	TPSA	0
79154	Hydrogen_Bond_Acceptor_Count	2
9829639	Hydrogen_Bond_Acceptor_Count	11
16249	Exact_Mass	144.04225873
9934507	Molecular_Weight	377.5
45484851	Hydrogen_Bond_Acceptor_Count	3
84647611	Exact_Mass	101.084063974
10184774	XLogP3-AA	3.7
445715	Covalent_Unit_Count	1
17754089	Isotope_Atom_Count	0
87663190	Undefined_Atom_Stereo_Count	0
73415798	Hydrogen_Bond_Acceptor_Count	20
3014538	Undefined_Atom_Stereo_Count	1
71300750	Structure_Complexity	533
22153558	Hydrogen_Bond_Acceptor_Count	1
1103	Tautomer_Count	1
865974	Undefined_Bond_Stereo_Count	0
91683	Non-hydrogen_Atom_Count	22
27519	Covalent_Unit_Count	1
140152869	Rotatable_Bond_Count	2
135409548	Molecular_Weight	327.29
444627	Molecular_Weight	1118.8
78352	Total_Formal_Charge	0
172296	Total_Formal_Charge	0
9885626	Hydrogen_Bond_Acceptor_Count	5
2282	Rotatable_Bond_Count	10
58506875	Covalent_Unit_Count	1
79161	Hydrogen_Bond_Acceptor_Count	3
9548661	TPSA	80.6
10628031	Structure_Complexity	1300
10162630	Undefined_Atom_Stereo_Count	0
59059038	Hydrogen_Bond_Acceptor_Count	3
538	Total_Formal_Charge	0
63134	XLogP3	2.4
13050832	Defined_Bond_Stereo_Count	0
40467346	Total_Formal_Charge	1
16822	XLogP3	0.8
21330	Covalent_Unit_Count	1
4735	Undefined_Atom_Stereo_Count	0
14951968	Non-hydrogen_Atom_Count	8
65590	TPSA	26
4456484	Exact_Mass	634.11920615
13844108	Isotope_Atom_Count	0
158371	Defined_Bond_Stereo_Count	0
834	Hydrogen_Bond_Acceptor_Count	7
688763	Isotope_Atom_Count	0
48289	Tautomer_Count	1
16217806	Defined_Atom_Stereo_Count	1
90843502	Non-hydrogen_Atom_Count	8
44229138	TPSA	77.3
129630288	Total_Formal_Charge	0
9387	Non-hydrogen_Atom_Count	26
22015243	Non-hydrogen_Atom_Count	8
57174138	XLogP3-AA	0.2
915	Non-hydrogen_Atom_Count	20
145820	Undefined_Atom_Stereo_Count	0
5282227	Hydrogen_Bond_Acceptor_Count	7
135402010	Molecular_Weight	459.5
10458325	Mono_Isotopic_Weight	490.1338596
12968	Total_Formal_Charge	0
5799	Molecular_Weight	204.23
527072	Isotope_Atom_Count	0
44560911	Isotope_Atom_Count	0
136219152	XLogP3-AA	4.6
6559236	Rotatable_Bond_Count	3
97959	XLogP3-AA	2.2
317543	Hydrogen_Bond_Donor_Count	1
17457	Hydrogen_Bond_Donor_Count	0
11848	XLogP3-AA	0.4
2091	XLogP3-AA	6.8
176155	Mono_Isotopic_Weight	377.09981148
135507761	Defined_Bond_Stereo_Count	2
10746	Undefined_Atom_Stereo_Count	2
57391458	Undefined_Bond_Stereo_Count	0
9954082	Undefined_Atom_Stereo_Count	0
70609	Defined_Bond_Stereo_Count	0
5280981	Molecular_Weight	222.17
749560	Non-hydrogen_Atom_Count	21
134839321	Molecular_Weight	905.0
156838775	Rotatable_Bond_Count	0
62819	Hydrogen_Bond_Acceptor_Count	15
6096207	Defined_Bond_Stereo_Count	0
2562	Undefined_Bond_Stereo_Count	0
9819610	Non-hydrogen_Atom_Count	23
6918078	Mono_Isotopic_Weight	400.18456586
7118	Total_Formal_Charge	0
91468768	Molecular_Weight	108.18
21910271	Undefined_Atom_Stereo_Count	0
13654	Structure_Complexity	146
127601	Non-hydrogen_Atom_Count	28
11804710	Covalent_Unit_Count	1
9824562	Isotope_Atom_Count	0
87527	Hydrogen_Bond_Donor_Count	1
15478	Mono_Isotopic_Weight	390.24062418
439950	Defined_Atom_Stereo_Count	0
61585	Non-hydrogen_Atom_Count	18
137092	Defined_Atom_Stereo_Count	0
2844	Hydrogen_Bond_Acceptor_Count	7
131770024	Undefined_Bond_Stereo_Count	0
145874935	Total_Formal_Charge	0
8523	TPSA	23.6
7291	Exact_Mass	108.02450067
5252031	Rotatable_Bond_Count	4
10887835	Hydrogen_Bond_Acceptor_Count	1
72068	Undefined_Atom_Stereo_Count	0
13587089	Defined_Bond_Stereo_Count	0
123554527	TPSA	25.8
12289818	XLogP3-AA	0.2
66063	Hydrogen_Bond_Donor_Count	1
10972974	XLogP3-AA	4.8
54581335	Isotope_Atom_Count	0
66041	XLogP3-AA	3.5
14964443	Non-hydrogen_Atom_Count	7
129830140	Defined_Bond_Stereo_Count	1
11392	Total_Formal_Charge	0
3614092	Hydrogen_Bond_Acceptor_Count	2
24868320	Hydrogen_Bond_Acceptor_Count	7
146396	Isotope_Atom_Count	0
61111	Undefined_Atom_Stereo_Count	2
3507056	Hydrogen_Bond_Donor_Count	0
56682313	Rotatable_Bond_Count	3
57541295	Molecular_Weight	391.5
15568	Exact_Mass	286.11782371
72200444	Defined_Bond_Stereo_Count	0
135611162	Non-hydrogen_Atom_Count	36
102248370	Hydrogen_Bond_Acceptor_Count	4
17863	Covalent_Unit_Count	2
25203302	Covalent_Unit_Count	1
89311	Undefined_Atom_Stereo_Count	1
180559	Non-hydrogen_Atom_Count	19
49867938	Isotope_Atom_Count	0
44427236	Undefined_Bond_Stereo_Count	0
67241466	Total_Formal_Charge	0
21749233	Non-hydrogen_Atom_Count	8
179338	Molecular_Weight	512.1
8658	Hydrogen_Bond_Donor_Count	0
12409162	Non-hydrogen_Atom_Count	8
57767271	Undefined_Bond_Stereo_Count	0
4472	Exact_Mass	298.14297583
71986	TPSA	77.3
13586	Mono_Isotopic_Weight	70.041864811
134820103	Rotatable_Bond_Count	11
58077	Structure_Complexity	422
129653419	Mono_Isotopic_Weight	86.07077866
12093171	Defined_Atom_Stereo_Count	0
137148307	TPSA	140
107377	XLogP3-AA	4.5
12562	Structure_Complexity	274
85605344	Covalent_Unit_Count	1
4569	Hydrogen_Bond_Acceptor_Count	15
753050	Defined_Bond_Stereo_Count	0
138471783	Defined_Bond_Stereo_Count	0
86160	Mono_Isotopic_Weight	297.266779359
11340940	Total_Formal_Charge	0
72301	Structure_Complexity	475
73030065	Covalent_Unit_Count	2
702289	Isotope_Atom_Count	0
8809	Exact_Mass	334.1005581
86855	Covalent_Unit_Count	1
10758834	Covalent_Unit_Count	1
22706689	Rotatable_Bond_Count	1
14852098	Rotatable_Bond_Count	2
125027416	Undefined_Atom_Stereo_Count	0
79004	Defined_Bond_Stereo_Count	0
76442017	Hydrogen_Bond_Donor_Count	1
2132	Undefined_Bond_Stereo_Count	0
135596593	Covalent_Unit_Count	1
124204086	Defined_Bond_Stereo_Count	0
4126474	Isotope_Atom_Count	0
15709948	Molecular_Weight	437.70
6432095	Total_Formal_Charge	0
4954	Hydrogen_Bond_Donor_Count	2
6857447	Covalent_Unit_Count	1
130411460	Defined_Bond_Stereo_Count	1
5284572	Isotope_Atom_Count	0
66879	XLogP3-AA	1.8
628127	Undefined_Atom_Stereo_Count	0
6289935	XLogP3	18.2
12871456	Defined_Atom_Stereo_Count	0
5486	Molecular_Weight	440.6
16070030	Undefined_Bond_Stereo_Count	0
6453	Total_Formal_Charge	0
306211	Mono_Isotopic_Weight	289.0505709
14816327	TPSA	21.6
26038	Exact_Mass	311.74429
54445182	TPSA	110
24405	Total_Formal_Charge	0
19022	Defined_Atom_Stereo_Count	0
674754	Undefined_Bond_Stereo_Count	0
53316418	Hydrogen_Bond_Donor_Count	0
14900	Exact_Mass	330.27700969
39187	Undefined_Bond_Stereo_Count	0
139356	Isotope_Atom_Count	0
12529295	Covalent_Unit_Count	1
36218	Isotope_Atom_Count	0
54173442	Isotope_Atom_Count	0
77	Undefined_Bond_Stereo_Count	0
54540949	Total_Formal_Charge	0
148197	Undefined_Bond_Stereo_Count	0
123309341	Hydrogen_Bond_Acceptor_Count	2
558148	Exact_Mass	98.084398327
21201338	Structure_Complexity	206
133662561	Undefined_Bond_Stereo_Count	0
59814883	Hydrogen_Bond_Acceptor_Count	1
618848	Hydrogen_Bond_Acceptor_Count	2
88155838	Defined_Atom_Stereo_Count	5
16049374	Defined_Bond_Stereo_Count	0
101417707	Isotope_Atom_Count	0
3034368	Exact_Mass	538.749951
11493841	Covalent_Unit_Count	1
11105327	TPSA	30.7
24860971	Structure_Complexity	410
9577221	XLogP3-AA	3.2
86018330	Rotatable_Bond_Count	2
11949646	Tautomer_Count	1
9919816	Hydrogen_Bond_Acceptor_Count	11
10659	Structure_Complexity	243
49852363	Isotope_Atom_Count	0
77213	TPSA	105
63935844	Rotatable_Bond_Count	1
6769	Hydrogen_Bond_Donor_Count	1
3034043	Rotatable_Bond_Count	8
5315659	Exact_Mass	316.240230259
20056549	TPSA	220
20980871	Exact_Mass	331.1161486
5484727	Total_Formal_Charge	0
2724333	Molecular_Weight	176.12
75472	Covalent_Unit_Count	1
3611	Hydrogen_Bond_Donor_Count	1
67553	Hydrogen_Bond_Acceptor_Count	1
443003	Rotatable_Bond_Count	1
114506	Rotatable_Bond_Count	2
15940949	Hydrogen_Bond_Donor_Count	4
21417244	Covalent_Unit_Count	1
135463451	TPSA	153
123979022	Covalent_Unit_Count	1
5417	Hydrogen_Bond_Donor_Count	0
489	Hydrogen_Bond_Acceptor_Count	9
11747547	Defined_Bond_Stereo_Count	0
5356785	Defined_Atom_Stereo_Count	0
25244520	Undefined_Atom_Stereo_Count	0
76500	XLogP3-AA	1.9
151419	Mono_Isotopic_Weight	266.10150494
13011	Exact_Mass	142.0185425
5081	TPSA	78.8
136843	Hydrogen_Bond_Acceptor_Count	2
73306	TPSA	63.3
101944071	Non-hydrogen_Atom_Count	22
44145008	Structure_Complexity	36.4
136270342	Molecular_Weight	99.09
2967	Undefined_Bond_Stereo_Count	0
23723027	Structure_Complexity	121
25006687	Molecular_Weight	393.5
1667	Hydrogen_Bond_Acceptor_Count	5
36354	Hydrogen_Bond_Donor_Count	1
90957031	Hydrogen_Bond_Donor_Count	1
44208919	Rotatable_Bond_Count	12
135403630	Mono_Isotopic_Weight	247.10692467
76155	Undefined_Atom_Stereo_Count	0
6324	XLogP3-AA	1.3
14592	Isotope_Atom_Count	0
3055168	Hydrogen_Bond_Acceptor_Count	6
44480399	Defined_Atom_Stereo_Count	0
70689385	XLogP3-AA	2.6
11478	Non-hydrogen_Atom_Count	21
6613	Rotatable_Bond_Count	6
147285	Isotope_Atom_Count	0
10176113	Defined_Bond_Stereo_Count	0
338733	Hydrogen_Bond_Donor_Count	1
66412	TPSA	21.6
39075	Rotatable_Bond_Count	6
13400658	Molecular_Weight	87.12
58962911	Isotope_Atom_Count	0
131698425	Rotatable_Bond_Count	1
57369253	Isotope_Atom_Count	6
23670359	Hydrogen_Bond_Acceptor_Count	8
53665290	Exact_Mass	108.043596145
5311201	Isotope_Atom_Count	0
87689	Hydrogen_Bond_Donor_Count	0
6518168	Isotope_Atom_Count	0
1225	Isotope_Atom_Count	0
3049771	Mono_Isotopic_Weight	169.085126602
11779786	Molecular_Weight	304.29
125037259	Isotope_Atom_Count	0
4118151	Structure_Complexity	292
5287851	Covalent_Unit_Count	1
23164725	Undefined_Bond_Stereo_Count	0
9614919	Rotatable_Bond_Count	3
11441554	Molecular_Weight	420.5
51340308	Hydrogen_Bond_Donor_Count	1
7017101	Mono_Isotopic_Weight	124.063662883
3482	Covalent_Unit_Count	1
812042	Hydrogen_Bond_Acceptor_Count	2
15568	Defined_Bond_Stereo_Count	0
129846269	Molecular_Weight	368.3
659064	Structure_Complexity	331
57430	Isotope_Atom_Count	0
82337	XLogP3	3.6
10785	Total_Formal_Charge	0
123479258	Hydrogen_Bond_Acceptor_Count	1
441364	Covalent_Unit_Count	2
3055174	XLogP3	3
21326601	Undefined_Bond_Stereo_Count	0
7864	XLogP3-AA	0.8
53311	Undefined_Atom_Stereo_Count	0
139154214	Hydrogen_Bond_Acceptor_Count	7
3035657	Isotope_Atom_Count	0
46738768	TPSA	35.5
7392	Structure_Complexity	143
16210995	TPSA	74.4
637930	Defined_Bond_Stereo_Count	1
5385498	Exact_Mass	428.31378912
9548611	Isotope_Atom_Count	0
46781459	Defined_Atom_Stereo_Count	4
11626560	Hydrogen_Bond_Acceptor_Count	6
735319	Rotatable_Bond_Count	1
11100989	Defined_Atom_Stereo_Count	0
11416	Covalent_Unit_Count	1
5702541	Defined_Bond_Stereo_Count	1
71586635	Non-hydrogen_Atom_Count	30
41171	Tautomer_Count	1
12702413	Molecular_Weight	180.20
45142026	Hydrogen_Bond_Donor_Count	2
44556162	TPSA	126
517106	Defined_Bond_Stereo_Count	0
3549191	Covalent_Unit_Count	1
100	Structure_Complexity	1240
6432418	Defined_Bond_Stereo_Count	0
243556	Undefined_Bond_Stereo_Count	0
262	Covalent_Unit_Count	1
12310	Defined_Bond_Stereo_Count	0
22841634	Rotatable_Bond_Count	2
11870427	Molecular_Weight	334.37
2881	Defined_Atom_Stereo_Count	0
97127	Defined_Atom_Stereo_Count	0
146159872	Hydrogen_Bond_Acceptor_Count	17
2734161	Hydrogen_Bond_Acceptor_Count	1
22263119	TPSA	69.1
40279	Undefined_Atom_Stereo_Count	0
83797	Exact_Mass	84.057514874
139078414	Total_Formal_Charge	0
59630221	XLogP3-AA	2.4
664081	Hydrogen_Bond_Donor_Count	1
122214398	Covalent_Unit_Count	1
15079262	Hydrogen_Bond_Acceptor_Count	3
68589	Molecular_Weight	444.7
21354474	Hydrogen_Bond_Acceptor_Count	2
439051	Total_Formal_Charge	0
8026	Tautomer_Count	1
10411334	Defined_Bond_Stereo_Count	0
5606	Isotope_Atom_Count	0
57341282	Hydrogen_Bond_Acceptor_Count	15
36572	Mono_Isotopic_Weight	406.1560391
81233	Rotatable_Bond_Count	5
935	Molecular_Weight	58.693
500	Hydrogen_Bond_Donor_Count	3
82711397	Exact_Mass	118.062994177
627458	Tautomer_Count	1
33671	Total_Formal_Charge	0
84152	Mono_Isotopic_Weight	132.078644241
3483736	TPSA	27.6
54682651	Exact_Mass	342.0658866
7525	XLogP3	0
6328144	Undefined_Bond_Stereo_Count	0
62140646	Non-hydrogen_Atom_Count	8
6917662	Rotatable_Bond_Count	3
58242	Rotatable_Bond_Count	5
10027278	Isotope_Atom_Count	0
9434	Hydrogen_Bond_Acceptor_Count	2
123683	Rotatable_Bond_Count	5
78295	Exact_Mass	206.0134572
71160	TPSA	52.6
15412227	Molecular_Weight	95.14
101102794	TPSA	404
300166	Hydrogen_Bond_Donor_Count	0
21133161	Hydrogen_Bond_Acceptor_Count	4
746471	XLogP3-AA	1.2
21152	Rotatable_Bond_Count	3
6514	TPSA	38.3
135566455	Hydrogen_Bond_Acceptor_Count	7
23087	XLogP3	2.4
15020	Defined_Atom_Stereo_Count	8
6540277	Hydrogen_Bond_Acceptor_Count	5
296051	Defined_Atom_Stereo_Count	0
45380694	TPSA	91
540335	Total_Formal_Charge	0
123751374	Molecular_Weight	1202.6
49243	Molecular_Weight	286.39
9601349	Tautomer_Count	1
7065	TPSA	9.7
91364344	Defined_Atom_Stereo_Count	0
10176084	Hydrogen_Bond_Donor_Count	1
6445540	Undefined_Atom_Stereo_Count	0
5672	Hydrogen_Bond_Donor_Count	2
137347969	Defined_Bond_Stereo_Count	0
400010	Defined_Bond_Stereo_Count	0
11676981	Total_Formal_Charge	0
11847	Rotatable_Bond_Count	0
82400	Defined_Atom_Stereo_Count	5
20276	Exact_Mass	282.08445
129865974	Molecular_Weight	496.8
2752638	Non-hydrogen_Atom_Count	13
10248	Total_Formal_Charge	0
729	Total_Formal_Charge	0
12940701	Hydrogen_Bond_Donor_Count	0
35399	XLogP3-AA	1.4
129652160	Structure_Complexity	233
9843750	XLogP3-AA	1.3
6451257	Defined_Atom_Stereo_Count	4
11126224	Isotope_Atom_Count	0
9012	Molecular_Weight	246.4
439192	Hydrogen_Bond_Acceptor_Count	6
124173720	Molecular_Weight	407.4
232656	Structure_Complexity	120
94011387	Hydrogen_Bond_Donor_Count	8
129225	Mono_Isotopic_Weight	179.131014166
24848343	Non-hydrogen_Atom_Count	16
81093	Undefined_Atom_Stereo_Count	0
13950369	Covalent_Unit_Count	1
12749134	Mono_Isotopic_Weight	115.063328530
82650923	Hydrogen_Bond_Donor_Count	0
54680692	Rotatable_Bond_Count	3
21669	Undefined_Atom_Stereo_Count	0
257501	Covalent_Unit_Count	1
439867	Molecular_Weight	342.30
20202559	Total_Formal_Charge	0
123761716	Structure_Complexity	80.1
9050	Structure_Complexity	652
175191	Non-hydrogen_Atom_Count	24
2724123	Structure_Complexity	131
54574891	Mono_Isotopic_Weight	99.104799419
36405	Hydrogen_Bond_Donor_Count	0
26969	Hydrogen_Bond_Acceptor_Count	1
8169	Defined_Bond_Stereo_Count	0
447249	Isotope_Atom_Count	0
1473603	Rotatable_Bond_Count	4
44520827	Molecular_Weight	314.8
42553	Defined_Bond_Stereo_Count	0
21558567	Non-hydrogen_Atom_Count	7
6918653	XLogP3-AA	2.4
44345665	Defined_Atom_Stereo_Count	0
48889	Mono_Isotopic_Weight	319.896540
4472	Covalent_Unit_Count	1
166957	Total_Formal_Charge	0
65815658	Total_Formal_Charge	0
22024915	Total_Formal_Charge	0
25181472	Total_Formal_Charge	0
91065505	Hydrogen_Bond_Acceptor_Count	1
50888	Undefined_Atom_Stereo_Count	1
12989	XLogP3-AA	0.6
32593	Hydrogen_Bond_Donor_Count	0
12562238	Defined_Bond_Stereo_Count	0
137580	XLogP3	2.1
55261	Non-hydrogen_Atom_Count	9
439998	Molecular_Weight	290.27
398579	Undefined_Atom_Stereo_Count	0
20977	XLogP3-AA	0.5
123899588	TPSA	0
11366954	Undefined_Bond_Stereo_Count	0
71680844	XLogP3-AA	2.7
23707296	Exact_Mass	337.05488871
60165806	Rotatable_Bond_Count	8
5742832	Defined_Atom_Stereo_Count	2
12105	Defined_Bond_Stereo_Count	0
448133	Hydrogen_Bond_Acceptor_Count	9
90094652	Exact_Mass	115.063328530
534283	Isotope_Atom_Count	0
13283	Hydrogen_Bond_Acceptor_Count	2
85979179	Hydrogen_Bond_Acceptor_Count	2
3000579	Defined_Bond_Stereo_Count	0
54581904	Molecular_Weight	300.4
13007516	Defined_Atom_Stereo_Count	0
132192027	Undefined_Atom_Stereo_Count	0
10459820	Molecular_Weight	536.5
72860	Defined_Bond_Stereo_Count	0
71776101	Undefined_Bond_Stereo_Count	0
5663	Covalent_Unit_Count	1
292659	Undefined_Atom_Stereo_Count	0
15475335	Molecular_Weight	112.13
4549	Hydrogen_Bond_Donor_Count	2
2722	Covalent_Unit_Count	1
6433118	Isotope_Atom_Count	0
98648	TPSA	92.4
69272932	TPSA	62.2
5231234	Covalent_Unit_Count	1
10176	Defined_Bond_Stereo_Count	0
14924483	Rotatable_Bond_Count	6
21327	TPSA	67.6
14709	Hydrogen_Bond_Acceptor_Count	3
71449805	TPSA	58.7
545800	Exact_Mass	184.219100893
68790	Defined_Atom_Stereo_Count	0
135506152	Undefined_Atom_Stereo_Count	0
2317	Undefined_Atom_Stereo_Count	0
2392	Total_Formal_Charge	0
71342	Hydrogen_Bond_Acceptor_Count	4
28506	Mono_Isotopic_Weight	212.094963011
67112011	Defined_Atom_Stereo_Count	0
127516	Exact_Mass	378.18425212
9926586	Total_Formal_Charge	0
139088888	Undefined_Atom_Stereo_Count	0
2480	TPSA	55.6
448632	Hydrogen_Bond_Donor_Count	1
6365145	Total_Formal_Charge	0
12344797	Exact_Mass	112.063662883
51399572	Molecular_Weight	499.6
6427476	Undefined_Atom_Stereo_Count	2
135436533	Molecular_Weight	351.3
72214	Mono_Isotopic_Weight	251.10183929
140682152	Rotatable_Bond_Count	6
86851	Molecular_Weight	160.21
60196273	Rotatable_Bond_Count	2
91501151	Hydrogen_Bond_Donor_Count	0
60946	Hydrogen_Bond_Acceptor_Count	8
163050682	Exact_Mass	284.16237386
6445008	Defined_Atom_Stereo_Count	0
5284648	Exact_Mass	270.05282342
11059434	Rotatable_Bond_Count	5
20149870	Undefined_Bond_Stereo_Count	0
10247670	Hydrogen_Bond_Donor_Count	1
26945	Rotatable_Bond_Count	8
9814448	Undefined_Bond_Stereo_Count	0
5174	Structure_Complexity	259
45344	Exact_Mass	333.1262344
13347991	Molecular_Weight	108.18
46964	Hydrogen_Bond_Donor_Count	1
44455234	Mono_Isotopic_Weight	366.10743665
3718	Hydrogen_Bond_Donor_Count	1
11647899	Hydrogen_Bond_Donor_Count	2
53779803	Exact_Mass	86.073164938
36690486	XLogP3	4.6
23667636	Isotope_Atom_Count	1
18104	TPSA	72.3
6419536	Mono_Isotopic_Weight	240.137496527
5281521	Hydrogen_Bond_Acceptor_Count	1
12388	Hydrogen_Bond_Donor_Count	0
51138321	Molecular_Weight	106.13
10613	Molecular_Weight	200.11
19974934	Non-hydrogen_Atom_Count	8
520148	XLogP3-AA	3.5
54353190	Undefined_Bond_Stereo_Count	0
94424	Defined_Atom_Stereo_Count	0
136589	Defined_Atom_Stereo_Count	0
4775	Structure_Complexity	137
3034048	Hydrogen_Bond_Acceptor_Count	5
18781684	Isotope_Atom_Count	0
17613	Total_Formal_Charge	0
68028	TPSA	17.1
24682	Undefined_Bond_Stereo_Count	0
46173707	Tautomer_Count	1
91460705	Exact_Mass	114.068079557
21407	Structure_Complexity	61.1
73604	Hydrogen_Bond_Donor_Count	4
7654	Covalent_Unit_Count	1
29934831	Isotope_Atom_Count	0
12132	Covalent_Unit_Count	1
65600	Mono_Isotopic_Weight	293.177964357
14792	Mono_Isotopic_Weight	39.9799563
146157955	Mono_Isotopic_Weight	867.49802062
16278	Rotatable_Bond_Count	2
73828	Rotatable_Bond_Count	2
8794	Structure_Complexity	114
718862	Structure_Complexity	347
39421	Total_Formal_Charge	0
66587017	Defined_Bond_Stereo_Count	0
14964043	Mono_Isotopic_Weight	97.052763847
135565932	Isotope_Atom_Count	0
11860	Molecular_Weight	177.03
44629653	Exact_Mass	166.123189134
53960	Structure_Complexity	295
15920952	Total_Formal_Charge	0
23663403	Structure_Complexity	525
45749	Isotope_Atom_Count	0
5311424	Hydrogen_Bond_Acceptor_Count	3
101610369	Isotope_Atom_Count	0
3055174	Hydrogen_Bond_Acceptor_Count	8
10288822	Undefined_Atom_Stereo_Count	0
4590704	Molecular_Weight	196.29
3322	Non-hydrogen_Atom_Count	18
58323974	Non-hydrogen_Atom_Count	8
81358402	Structure_Complexity	96.6
441404	XLogP3	6.4
112029	Undefined_Atom_Stereo_Count	1
160889158	Structure_Complexity	87.4
7996	Molecular_Weight	104.15
59002381	Defined_Bond_Stereo_Count	0
3129049	Structure_Complexity	216
7997	Total_Formal_Charge	0
22882	Molecular_Weight	400.0
90961655	Undefined_Atom_Stereo_Count	2
6918296	TPSA	58.2
139383946	Mono_Isotopic_Weight	112.063662883
12076	Hydrogen_Bond_Acceptor_Count	5
78431	Isotope_Atom_Count	0
14012	Covalent_Unit_Count	4
11750009	Non-hydrogen_Atom_Count	29
54758307	Isotope_Atom_Count	0
518713	Covalent_Unit_Count	1
10197665	Defined_Atom_Stereo_Count	0
5375618	Total_Formal_Charge	0
71486	Tautomer_Count	1
11249342	Undefined_Bond_Stereo_Count	0
5702063	Structure_Complexity	228
54580765	Mono_Isotopic_Weight	374.04357917
9164	Hydrogen_Bond_Acceptor_Count	0
565855	Hydrogen_Bond_Acceptor_Count	3
20623561	Covalent_Unit_Count	1
13462625	Undefined_Atom_Stereo_Count	1
11470068	Structure_Complexity	133
16102855	Non-hydrogen_Atom_Count	35
53943526	Exact_Mass	99.032028402
10254	Total_Formal_Charge	0
9162	XLogP3	7
16213080	Molecular_Weight	500.12
9898801	Defined_Bond_Stereo_Count	0
173604	Tautomer_Count	1
12655091	Undefined_Atom_Stereo_Count	1
141011968	Non-hydrogen_Atom_Count	8
637090	Hydrogen_Bond_Donor_Count	1
22246713	Non-hydrogen_Atom_Count	8
71457293	Exact_Mass	469.1404486
101165369	Structure_Complexity	415
550206	TPSA	45.5
177949	Defined_Bond_Stereo_Count	0
70685495	Isotope_Atom_Count	0
25070195	Covalent_Unit_Count	1
25113157	TPSA	178
71145	Defined_Bond_Stereo_Count	0
21713016	Structure_Complexity	70.1
87064	Exact_Mass	195.162314293
7488	Covalent_Unit_Count	1
57549763	Undefined_Atom_Stereo_Count	3
12302651	Isotope_Atom_Count	0
537037	Total_Formal_Charge	0
3047830	Hydrogen_Bond_Acceptor_Count	3
6444397	Total_Formal_Charge	0
16212182	Total_Formal_Charge	0
42613186	Isotope_Atom_Count	0
5462210	Defined_Bond_Stereo_Count	9
129851390	Hydrogen_Bond_Donor_Count	3
51086	Undefined_Atom_Stereo_Count	0
8365	Rotatable_Bond_Count	3
15284838	Non-hydrogen_Atom_Count	12
52427	Hydrogen_Bond_Donor_Count	0
890	Undefined_Bond_Stereo_Count	0
5092	Hydrogen_Bond_Acceptor_Count	3
7048523	Rotatable_Bond_Count	3
5395	Mono_Isotopic_Weight	173.141578849
1724	Covalent_Unit_Count	1
135503538	TPSA	129
117476	Non-hydrogen_Atom_Count	7
986	TPSA	389
14691612	Undefined_Atom_Stereo_Count	1
57400482	Hydrogen_Bond_Acceptor_Count	6
13798887	Defined_Atom_Stereo_Count	3
466	Exact_Mass	260.02971899
87663190	Undefined_Bond_Stereo_Count	0
5358751	Rotatable_Bond_Count	5
21253562	Molecular_Weight	96.09
24608	Undefined_Bond_Stereo_Count	0
9867605	Mono_Isotopic_Weight	434.0297083
4294	Hydrogen_Bond_Donor_Count	4
69536	Rotatable_Bond_Count	5
67771108	Defined_Atom_Stereo_Count	0
11697676	Exact_Mass	430.23687621
6451143	TPSA	131
129691409	Defined_Bond_Stereo_Count	0
5282230	Exact_Mass	327.11067264
20387231	Defined_Atom_Stereo_Count	0
122639	Tautomer_Count	36
58935140	Structure_Complexity	79.6
9953769	Hydrogen_Bond_Donor_Count	1
2724235	Defined_Bond_Stereo_Count	0
2933256	Covalent_Unit_Count	1
12550422	Defined_Bond_Stereo_Count	0
19709	Exact_Mass	101.120449483
12812295	Exact_Mass	111.068413911
20387231	Rotatable_Bond_Count	2
20632752	Total_Formal_Charge	0
648	Hydrogen_Bond_Donor_Count	3
135392570	Molecular_Weight	81.12
12573	XLogP3-AA	3.1
7951	Tautomer_Count	1
87605	Defined_Bond_Stereo_Count	0
44395051	Hydrogen_Bond_Donor_Count	2
54368808	Exact_Mass	109.052763847
13925935	Isotope_Atom_Count	0
135722088	Total_Formal_Charge	0
12205	Non-hydrogen_Atom_Count	10
550179	Undefined_Atom_Stereo_Count	0
6442778	TPSA	57.5
3097	Rotatable_Bond_Count	3
15629	Molecular_Weight	214.65
24699	Undefined_Atom_Stereo_Count	1
25142970	Undefined_Atom_Stereo_Count	0
10976469	Mono_Isotopic_Weight	199.02457404
12756	Non-hydrogen_Atom_Count	8
11189402	Hydrogen_Bond_Acceptor_Count	8
1549	Exact_Mass	540.9567742
9868452	Isotope_Atom_Count	0
6671	Non-hydrogen_Atom_Count	11
57869404	Defined_Atom_Stereo_Count	0
12435	Undefined_Atom_Stereo_Count	0
558889	Defined_Atom_Stereo_Count	0
23204	Molecular_Weight	204.35
17045	Defined_Atom_Stereo_Count	0
21698963	Covalent_Unit_Count	1
22760862	Isotope_Atom_Count	0
16659838	Defined_Atom_Stereo_Count	1
317053	Hydrogen_Bond_Donor_Count	1
799	Undefined_Bond_Stereo_Count	0
53946395	Defined_Atom_Stereo_Count	0
21131860	Defined_Bond_Stereo_Count	0
83224	Covalent_Unit_Count	1
12263801	Defined_Bond_Stereo_Count	0
11405875	Hydrogen_Bond_Acceptor_Count	3
11286230	Hydrogen_Bond_Donor_Count	12
47544	TPSA	21.7
89456730	Covalent_Unit_Count	1
12386	Hydrogen_Bond_Acceptor_Count	2
128919	Mono_Isotopic_Weight	381.17043419
112711235	Mono_Isotopic_Weight	113.058911855
46220	Structure_Complexity	152
82652	Defined_Atom_Stereo_Count	0
9160	Non-hydrogen_Atom_Count	21
31411	Rotatable_Bond_Count	4
6775	Isotope_Atom_Count	0
5311447	Exact_Mass	466.15961441
57255938	Non-hydrogen_Atom_Count	8
139024568	Total_Formal_Charge	0
36005	Undefined_Atom_Stereo_Count	0
5492929	Total_Formal_Charge	0
64813	Hydrogen_Bond_Donor_Count	0
76767	Covalent_Unit_Count	1
120741	Rotatable_Bond_Count	5
1255	Total_Formal_Charge	0
2736567	Mono_Isotopic_Weight	113.047678466
7267	XLogP3	2.3
2157	Tautomer_Count	1
65909	Molecular_Weight	428.5
82170	Molecular_Weight	182.17
11961423	Exact_Mass	112.063662883
409535	Total_Formal_Charge	0
16323	Molecular_Weight	188.65
93706	XLogP3-AA	15.5
5271566	Exact_Mass	172.07355886
667498	Defined_Bond_Stereo_Count	0
123626159	Mono_Isotopic_Weight	100.100048391
54686904	TPSA	206
13346655	TPSA	26.3
25010738	Non-hydrogen_Atom_Count	30
4940	Tautomer_Count	2
13813927	Undefined_Atom_Stereo_Count	0
23444	Hydrogen_Bond_Donor_Count	2
7614	Tautomer_Count	2
18736159	Structure_Complexity	98.6
5288527	Rotatable_Bond_Count	4
11548000	Rotatable_Bond_Count	12
3634	Molecular_Weight	356.5
60156	Exact_Mass	303.0120774
118459248	Covalent_Unit_Count	1
86422	Tautomer_Count	1
11636326	Covalent_Unit_Count	1
16111	Exact_Mass	281.09292838
23080446	Defined_Atom_Stereo_Count	0
71622	Defined_Atom_Stereo_Count	0
67805120	TPSA	0
48956	Total_Formal_Charge	0
139061104	Hydrogen_Bond_Donor_Count	10
5359272	TPSA	23.5
91528	TPSA	80.9
25142309	Undefined_Bond_Stereo_Count	0
5362708	Mono_Isotopic_Weight	266.18819469
10532	Hydrogen_Bond_Acceptor_Count	4
643587	Defined_Bond_Stereo_Count	0
54111	Undefined_Bond_Stereo_Count	0
16158207	Exact_Mass	1585.4110510
3032307	Defined_Bond_Stereo_Count	0
11230	Molecular_Weight	154.25
131668508	TPSA	332
75005	Defined_Bond_Stereo_Count	0
24848201	Defined_Bond_Stereo_Count	0
57280	TPSA	37.6
12888377	Hydrogen_Bond_Donor_Count	0
5351548	Undefined_Bond_Stereo_Count	0
9576811	Tautomer_Count	8
10441658	Exact_Mass	105.078978594
7608	Covalent_Unit_Count	1
10307849	Isotope_Atom_Count	0
7062	Exact_Mass	165.115364102
9837352	Undefined_Bond_Stereo_Count	0
12669677	Non-hydrogen_Atom_Count	24
963	Structure_Complexity	1660
66755	Isotope_Atom_Count	0
4544	Isotope_Atom_Count	0
12636255	TPSA	32.8
66255	XLogP3-AA	3.8
68921	Non-hydrogen_Atom_Count	33
42645	Defined_Bond_Stereo_Count	0
58962911	Exact_Mass	463.0636514
28499	Rotatable_Bond_Count	8
61850	Total_Formal_Charge	0
71449805	Defined_Bond_Stereo_Count	0
87953	Undefined_Atom_Stereo_Count	0
65495	Hydrogen_Bond_Donor_Count	1
274730	Hydrogen_Bond_Donor_Count	3
42608371	Isotope_Atom_Count	0
28754	Covalent_Unit_Count	1
53667577	Defined_Atom_Stereo_Count	0
82789	Defined_Bond_Stereo_Count	0
12673086	Isotope_Atom_Count	0
59324	Defined_Bond_Stereo_Count	0
543995	Non-hydrogen_Atom_Count	8
78096	Hydrogen_Bond_Donor_Count	3
22754947	Defined_Atom_Stereo_Count	0
3468	XLogP3-AA	4.9
16264	Tautomer_Count	1
44454985	XLogP3-AA	2.2
11360680	Isotope_Atom_Count	0
71691	Exact_Mass	408.384154838
38455	Total_Formal_Charge	0
17963315	Hydrogen_Bond_Donor_Count	1
162291	Defined_Atom_Stereo_Count	0
6445540	Isotope_Atom_Count	0
6399253	Isotope_Atom_Count	0
134694392	Undefined_Atom_Stereo_Count	2
3505109	Hydrogen_Bond_Donor_Count	2
10103118	Tautomer_Count	1
57392503	Hydrogen_Bond_Donor_Count	3
7495	Covalent_Unit_Count	1
12510987	Rotatable_Bond_Count	3
443878	Hydrogen_Bond_Acceptor_Count	8
57400316	TPSA	129
14308604	Total_Formal_Charge	0
16058	Hydrogen_Bond_Donor_Count	0
460612	TPSA	66.6
76171	Isotope_Atom_Count	0
5746387	XLogP3	0.9
11587639	Molecular_Weight	310.4
9874875	Structure_Complexity	726
145640699	Hydrogen_Bond_Acceptor_Count	2
3246605	XLogP3-AA	4.6
91329391	Hydrogen_Bond_Acceptor_Count	1
60199634	Structure_Complexity	726
57398255	Exact_Mass	479.16272547
543706	Covalent_Unit_Count	1
10455	Defined_Atom_Stereo_Count	0
166486721	Structure_Complexity	121
13652	Hydrogen_Bond_Donor_Count	0
415868	Non-hydrogen_Atom_Count	25
95361	XLogP3-AA	0.1
57004	Molecular_Weight	218.63
20055408	Undefined_Atom_Stereo_Count	0
24721009	Exact_Mass	280.1706265
476260	XLogP3-AA	3.2
133478	Isotope_Atom_Count	0
14670	Hydrogen_Bond_Acceptor_Count	4
77990	Structure_Complexity	402
20700920	TPSA	20.1
14225651	TPSA	17.1
904	Hydrogen_Bond_Acceptor_Count	1
5326161	Total_Formal_Charge	0
9821941	Hydrogen_Bond_Acceptor_Count	5
89456730	Rotatable_Bond_Count	0
65594	Undefined_Atom_Stereo_Count	1
5282450	Isotope_Atom_Count	0
7452	XLogP3	1.5
8927	Defined_Atom_Stereo_Count	0
72851	Hydrogen_Bond_Acceptor_Count	1
54169147	Defined_Atom_Stereo_Count	0
57625	Undefined_Bond_Stereo_Count	0
9543220	Hydrogen_Bond_Donor_Count	2
13399110	Undefined_Bond_Stereo_Count	0
135413545	Non-hydrogen_Atom_Count	38
129752646	Rotatable_Bond_Count	12
23696271	Isotope_Atom_Count	0
129628202	Structure_Complexity	1040
795	Structure_Complexity	28.1
68739327	Isotope_Atom_Count	0
154101	Isotope_Atom_Count	0
4020	Rotatable_Bond_Count	1
5281088	Non-hydrogen_Atom_Count	22
135589116	Undefined_Atom_Stereo_Count	0
68026923	Non-hydrogen_Atom_Count	7
10920480	Hydrogen_Bond_Donor_Count	0
45190	Hydrogen_Bond_Acceptor_Count	4
187079	Non-hydrogen_Atom_Count	30
2803172	Undefined_Bond_Stereo_Count	0
36982	Structure_Complexity	173
680036	Total_Formal_Charge	0
12835056	Rotatable_Bond_Count	4
10346039	Exact_Mass	504.1462019
131954609	Total_Formal_Charge	0
53756508	Molecular_Weight	100.12
656629	Defined_Atom_Stereo_Count	4
3047822	Hydrogen_Bond_Acceptor_Count	4
12709580	Undefined_Atom_Stereo_Count	0
694728	XLogP3	3
98397	XLogP3-AA	3.5
5280953	Covalent_Unit_Count	1
17348	Total_Formal_Charge	0
16212960	Exact_Mass	182.07009777
20996	TPSA	0
58645437	Hydrogen_Bond_Donor_Count	0
34560	Undefined_Atom_Stereo_Count	0
70484261	Defined_Atom_Stereo_Count	0
15512	Isotope_Atom_Count	0
67979331	Structure_Complexity	701
54231313	Molecular_Weight	99.09
46231499	TPSA	97.4
44137686	Covalent_Unit_Count	1
4597	Undefined_Bond_Stereo_Count	0
69341308	Defined_Bond_Stereo_Count	0
124723	Non-hydrogen_Atom_Count	9
68316842	Isotope_Atom_Count	0
69144	Hydrogen_Bond_Donor_Count	0
62436	Hydrogen_Bond_Donor_Count	0
5327011	Defined_Bond_Stereo_Count	0
96387	Molecular_Weight	177.24
10240789	Covalent_Unit_Count	1
628127	Isotope_Atom_Count	0
192154	Hydrogen_Bond_Donor_Count	0
7341	Molecular_Weight	116.16
131632429	Hydrogen_Bond_Acceptor_Count	12
907991	Covalent_Unit_Count	1
5917	Defined_Bond_Stereo_Count	0
123753428	Defined_Bond_Stereo_Count	0
10329254	Structure_Complexity	57.2
40703	Hydrogen_Bond_Donor_Count	0
92374	Mono_Isotopic_Weight	236.04669266
21930930	Molecular_Weight	108.10
105000	Rotatable_Bond_Count	2
5289518	Undefined_Bond_Stereo_Count	0
3293	Undefined_Atom_Stereo_Count	0
129628904	Defined_Bond_Stereo_Count	0
86388	Exact_Mass	335.15214353
11655069	Rotatable_Bond_Count	7
62411	Exact_Mass	174.08920892
129628447	Defined_Bond_Stereo_Count	5
22918788	Exact_Mass	88.052429494
957500	Total_Formal_Charge	0
443944	Rotatable_Bond_Count	5
13204	Structure_Complexity	98.7
139088080	Mono_Isotopic_Weight	343.02079
186114	Undefined_Bond_Stereo_Count	0
329983	TPSA	13.1
5289006	TPSA	124
7859	Structure_Complexity	38.5
5288149	Undefined_Atom_Stereo_Count	0
340	Mono_Isotopic_Weight	124.052429494
763936	Structure_Complexity	208
57364	Hydrogen_Bond_Donor_Count	2
74077706	Isotope_Atom_Count	0
560193	Undefined_Bond_Stereo_Count	0
5504	Undefined_Atom_Stereo_Count	0
309	Total_Formal_Charge	0
7048767	Mono_Isotopic_Weight	324.183778013
71622657	Exact_Mass	304.157563266
36933	Hydrogen_Bond_Donor_Count	1
5779	Undefined_Atom_Stereo_Count	1
146159466	Molecular_Weight	398.7
6994	Isotope_Atom_Count	0
86607	Rotatable_Bond_Count	4
83478501	Exact_Mass	101.084063974
45614	Rotatable_Bond_Count	7
10920483	TPSA	43.4
18392	Isotope_Atom_Count	0
57090177	Covalent_Unit_Count	1
81669	Non-hydrogen_Atom_Count	8
42509	Mono_Isotopic_Weight	329.1658755
285725	Exact_Mass	110.048012819
2761399	Undefined_Atom_Stereo_Count	0
3318739	Rotatable_Bond_Count	17
56626368	Structure_Complexity	74.2
15758	Hydrogen_Bond_Acceptor_Count	2
7309	Defined_Bond_Stereo_Count	0
6419928	Undefined_Atom_Stereo_Count	0
18356755	Non-hydrogen_Atom_Count	7
139194774	TPSA	89
24763119	Rotatable_Bond_Count	5
191109	Exact_Mass	131.037113783
18372143	Defined_Bond_Stereo_Count	0
8961	Hydrogen_Bond_Donor_Count	1
439198	Rotatable_Bond_Count	3
18497	Total_Formal_Charge	0
54266316	Hydrogen_Bond_Donor_Count	2
68901306	Exact_Mass	461.23145648
55288089	Structure_Complexity	118
54708299	Hydrogen_Bond_Donor_Count	2
809622	Isotope_Atom_Count	0
6917831	Hydrogen_Bond_Acceptor_Count	9
82953	Undefined_Bond_Stereo_Count	0
15211200	Undefined_Bond_Stereo_Count	0
6433345	Covalent_Unit_Count	1
95941	Defined_Bond_Stereo_Count	0
805985	Total_Formal_Charge	0
60196420	Rotatable_Bond_Count	0
446113	Undefined_Bond_Stereo_Count	0
163201191	Defined_Atom_Stereo_Count	0
119418	Mono_Isotopic_Weight	292.13107373
6227	Exact_Mass	137.93164
87048	Molecular_Weight	141.13
79632	Non-hydrogen_Atom_Count	47
15731	Defined_Bond_Stereo_Count	0
5284585	Rotatable_Bond_Count	4
443310	Covalent_Unit_Count	1
359137	Undefined_Atom_Stereo_Count	2
51356843	Isotope_Atom_Count	0
86764	Hydrogen_Bond_Donor_Count	0
12472	Defined_Bond_Stereo_Count	0
18683475	Hydrogen_Bond_Donor_Count	1
12377442	Defined_Bond_Stereo_Count	0
68255	Non-hydrogen_Atom_Count	9
11589590	XLogP3-AA	5.9
5284329	Total_Formal_Charge	0
42337	Tautomer_Count	2
139782102	Hydrogen_Bond_Donor_Count	1
63134	TPSA	32.7
3041256	Undefined_Atom_Stereo_Count	0
11762	Hydrogen_Bond_Donor_Count	2
453326	Undefined_Atom_Stereo_Count	0
67314475	Undefined_Atom_Stereo_Count	0
6437392	TPSA	134
177739	Defined_Bond_Stereo_Count	0
87310	Tautomer_Count	1
13561	Non-hydrogen_Atom_Count	12
187079	Structure_Complexity	687
66755	Undefined_Bond_Stereo_Count	0
49858377	Total_Formal_Charge	0
95391	Defined_Bond_Stereo_Count	0
4551	Rotatable_Bond_Count	0
15189027	Rotatable_Bond_Count	1
68167579	Defined_Atom_Stereo_Count	4
25076512	Molecular_Weight	1634.8
25227436	Mono_Isotopic_Weight	428.1727518
22833506	Mono_Isotopic_Weight	410.1051646
129796181	Non-hydrogen_Atom_Count	7
66908762	Rotatable_Bond_Count	0
59296073	TPSA	111
91490309	Covalent_Unit_Count	1
802	Defined_Bond_Stereo_Count	0
443013	XLogP3	2
5742590	Defined_Bond_Stereo_Count	0
54011	Defined_Bond_Stereo_Count	0
101739878	Total_Formal_Charge	0
15558407	Hydrogen_Bond_Donor_Count	5
12184	Hydrogen_Bond_Donor_Count	1
9445	Molecular_Weight	207.01
53384597	Hydrogen_Bond_Acceptor_Count	4
53818	Undefined_Bond_Stereo_Count	0
3049698	Non-hydrogen_Atom_Count	21
3034390	XLogP3-AA	5.6
16556	Exact_Mass	222.173213330
5281235	Exact_Mass	552.433116406
56518	Exact_Mass	277.1233420
26310	Hydrogen_Bond_Donor_Count	0
14546681	Undefined_Atom_Stereo_Count	0
56626310	Exact_Mass	226.110613074
60196380	Non-hydrogen_Atom_Count	16
138200	Non-hydrogen_Atom_Count	7
21635253	XLogP3-AA	0.2
91145327	Isotope_Atom_Count	0
104956	Exact_Mass	366.19434270
60196390	Non-hydrogen_Atom_Count	19
36302	Defined_Atom_Stereo_Count	0
165074	Isotope_Atom_Count	0
96029	Hydrogen_Bond_Donor_Count	0
24917007	Mono_Isotopic_Weight	220.15488318
19600405	Hydrogen_Bond_Donor_Count	0
135463451	Undefined_Bond_Stereo_Count	0
7401	Structure_Complexity	224
13924394	Molecular_Weight	112.13
53897	Rotatable_Bond_Count	5
10017963	Structure_Complexity	481
28114	Mono_Isotopic_Weight	110.048012819
8411	Hydrogen_Bond_Acceptor_Count	4
3580	Defined_Bond_Stereo_Count	0
129668601	Rotatable_Bond_Count	3
161094261	TPSA	0
82418996	Molecular_Weight	109.09
123462301	Covalent_Unit_Count	1
7228	Molecular_Weight	266.4
10406	Hydrogen_Bond_Donor_Count	1
132598553	TPSA	27.6
147740	Tautomer_Count	90
439570	Covalent_Unit_Count	1
88007	Undefined_Atom_Stereo_Count	0
16682746	Defined_Bond_Stereo_Count	0
60196378	Undefined_Bond_Stereo_Count	0
53833568	Non-hydrogen_Atom_Count	8
12596294	Defined_Atom_Stereo_Count	0
13248582	Hydrogen_Bond_Donor_Count	0
23696271	Undefined_Bond_Stereo_Count	0
68485856	Defined_Atom_Stereo_Count	0
9249	Rotatable_Bond_Count	0
3034255	Molecular_Weight	184.18
153311	Defined_Atom_Stereo_Count	3
1331	Total_Formal_Charge	0
192155	Defined_Bond_Stereo_Count	0
2776282	Structure_Complexity	525
62510	Tautomer_Count	1
16211941	Rotatable_Bond_Count	1
107767	Tautomer_Count	1
1194	TPSA	49.7
13349554	Structure_Complexity	107
6431301	Exact_Mass	194.130679813
5019	Total_Formal_Charge	0
141627366	Defined_Atom_Stereo_Count	0
7618	Tautomer_Count	1
192627	TPSA	76.4
185620	Undefined_Bond_Stereo_Count	0
74406	Structure_Complexity	147
21123938	Hydrogen_Bond_Acceptor_Count	5
51124	Defined_Bond_Stereo_Count	0
135456190	XLogP3-AA	4.1
57351929	Defined_Bond_Stereo_Count	0
1044	Undefined_Atom_Stereo_Count	0
44629654	Undefined_Atom_Stereo_Count	0
16395512	Hydrogen_Bond_Acceptor_Count	16
12978170	Molecular_Weight	96.17
7466	Hydrogen_Bond_Acceptor_Count	1
11151622	Undefined_Bond_Stereo_Count	0
9552081	Non-hydrogen_Atom_Count	60
20775240	Hydrogen_Bond_Donor_Count	0
25245437	Mono_Isotopic_Weight	688.34905972
409409	Defined_Bond_Stereo_Count	0
188414	Rotatable_Bond_Count	2
14116454	Mono_Isotopic_Weight	98.036779430
93279	Rotatable_Bond_Count	6
129816	Undefined_Bond_Stereo_Count	0
564457	Defined_Atom_Stereo_Count	0
153305234	Rotatable_Bond_Count	4
5375200	Undefined_Bond_Stereo_Count	0
12460926	Non-hydrogen_Atom_Count	9
37419	Covalent_Unit_Count	1
442504	Undefined_Atom_Stereo_Count	0
18461924	Hydrogen_Bond_Donor_Count	0
58181522	TPSA	49.3
14842942	Molecular_Weight	204.06
72941969	Molecular_Weight	4610
78759348	Non-hydrogen_Atom_Count	25
52914006	Exact_Mass	468.32395988
22623468	Mono_Isotopic_Weight	99.104799419
20701649	Non-hydrogen_Atom_Count	7
11643846	Exact_Mass	1201.84136802
76755	Hydrogen_Bond_Donor_Count	0
440707	Exact_Mass	346.21440943
10236037	Molecular_Weight	173.25
42586	TPSA	55.8
86461	Undefined_Atom_Stereo_Count	0
2942	Structure_Complexity	215
135497803	Covalent_Unit_Count	1
5509	Defined_Atom_Stereo_Count	0
19738571	Total_Formal_Charge	0
1888	Mono_Isotopic_Weight	352.22497412
642156	Rotatable_Bond_Count	0
72959169	Molecular_Weight	516.6
78382	Non-hydrogen_Atom_Count	12
12023	Hydrogen_Bond_Donor_Count	1
13760530	Non-hydrogen_Atom_Count	8
11386	Structure_Complexity	132
24441	Defined_Atom_Stereo_Count	0
135465077	Isotope_Atom_Count	0
136305444	TPSA	41.8
54765302	Exact_Mass	375.15513817
67742	Mono_Isotopic_Weight	309.96877548
182176	Mono_Isotopic_Weight	239.15214353
643216	Hydrogen_Bond_Acceptor_Count	3
12563868	Total_Formal_Charge	0
67000	Defined_Atom_Stereo_Count	0
21661235	Isotope_Atom_Count	0
156418	Undefined_Bond_Stereo_Count	0
163199229	Total_Formal_Charge	0
193653	Defined_Atom_Stereo_Count	1
10645	Exact_Mass	332.1113975
11250029	Mono_Isotopic_Weight	569.26381923
20234359	Covalent_Unit_Count	1
12636118	Defined_Bond_Stereo_Count	0
154017157	Undefined_Bond_Stereo_Count	0
139338	Mono_Isotopic_Weight	64.0313001276
2775103	Mono_Isotopic_Weight	222.01399312
61674	Defined_Bond_Stereo_Count	0
67277	Structure_Complexity	450
31364	Non-hydrogen_Atom_Count	13
42574	Undefined_Bond_Stereo_Count	0
71140	Non-hydrogen_Atom_Count	18
96807	Defined_Atom_Stereo_Count	1
5289396	Defined_Atom_Stereo_Count	16
3538	TPSA	69.2
5497143	Covalent_Unit_Count	1
102093221	Hydrogen_Bond_Donor_Count	3
37499	Rotatable_Bond_Count	9
10441661	Mono_Isotopic_Weight	108.068748264
12899069	TPSA	118
54184524	Hydrogen_Bond_Acceptor_Count	2
4357	Non-hydrogen_Atom_Count	17
10391	Hydrogen_Bond_Acceptor_Count	1
6790	Mono_Isotopic_Weight	223.03031432
5016	Rotatable_Bond_Count	3
36023	TPSA	23.8
85812	Defined_Bond_Stereo_Count	0
22628836	XLogP3-AA	0.3
12315192	TPSA	120
97983	Mono_Isotopic_Weight	82.041864811
399895	Undefined_Atom_Stereo_Count	4
25457	Isotope_Atom_Count	0
12096747	Mono_Isotopic_Weight	655.41562841
642344	Hydrogen_Bond_Acceptor_Count	2
62857	Molecular_Weight	345.8
11269	Undefined_Atom_Stereo_Count	0
60207729	Hydrogen_Bond_Acceptor_Count	4
69085357	Isotope_Atom_Count	0
533994	Covalent_Unit_Count	1
91486	Isotope_Atom_Count	0
6971096	Undefined_Bond_Stereo_Count	0
5368831	Tautomer_Count	1
5353800	Hydrogen_Bond_Donor_Count	0
62932	Total_Formal_Charge	0
544596	Undefined_Bond_Stereo_Count	0
5363095	Undefined_Atom_Stereo_Count	0
20414	Hydrogen_Bond_Acceptor_Count	0
4691	XLogP3-AA	3.5
2223	Defined_Bond_Stereo_Count	0
10143006	Exact_Mass	526.04954
83444	Molecular_Weight	242.39
165870	Molecular_Weight	214.22
7284	Total_Formal_Charge	0
83095	Mono_Isotopic_Weight	168.0301698
542305	Molecular_Weight	118.17
70919851	Hydrogen_Bond_Acceptor_Count	11
87161809	TPSA	49.8
11228764	Defined_Bond_Stereo_Count	0
11751549	Rotatable_Bond_Count	8
446541	Total_Formal_Charge	0
12697524	Molecular_Weight	370.4
9903291	Total_Formal_Charge	0
60585	Covalent_Unit_Count	2
67683363	Hydrogen_Bond_Acceptor_Count	10
4708	Rotatable_Bond_Count	4
625	Defined_Bond_Stereo_Count	0
3246242	Non-hydrogen_Atom_Count	22
7434	Structure_Complexity	229
57955	Non-hydrogen_Atom_Count	25
118210492	Hydrogen_Bond_Donor_Count	0
15567	Hydrogen_Bond_Donor_Count	1
47183	Mono_Isotopic_Weight	362.1761058
79450	Mono_Isotopic_Weight	136.063662883
5487888	Defined_Atom_Stereo_Count	2
72640182	Defined_Atom_Stereo_Count	0
62389905	Molecular_Weight	99.17
56769	Tautomer_Count	1
7969	Exact_Mass	110.01902136
8946	Non-hydrogen_Atom_Count	10
359379	Undefined_Bond_Stereo_Count	0
14462	Exact_Mass	128.156500638
18428363	Exact_Mass	92.037448136
31204	Covalent_Unit_Count	2
9924495	Molecular_Weight	349.4
31170	Undefined_Atom_Stereo_Count	0
5353970	Hydrogen_Bond_Donor_Count	1
91677	Molecular_Weight	312.11
4498243	Undefined_Bond_Stereo_Count	0
10198055	Undefined_Bond_Stereo_Count	0
99478	Defined_Bond_Stereo_Count	0
823887	Non-hydrogen_Atom_Count	20
5491612	Covalent_Unit_Count	1
4761	XLogP3	2.8
67901	Rotatable_Bond_Count	0
10377	Exact_Mass	180.115029749
161930	Isotope_Atom_Count	0
31233	Exact_Mass	166.099379685
76280	XLogP3	2.1
1550234	Molecular_Weight	366.4
295864	Total_Formal_Charge	0
46936965	XLogP3-AA	0.6
10474	Undefined_Atom_Stereo_Count	0
22401764	XLogP3-AA	0.2
11716	Mono_Isotopic_Weight	72.057514874
24086	Defined_Atom_Stereo_Count	5
9871420	Molecular_Weight	522.6
123519634	TPSA	0
5369209	Defined_Bond_Stereo_Count	1
74572	XLogP3	3.2
12086	Defined_Bond_Stereo_Count	0
81110	Non-hydrogen_Atom_Count	12
19809734	Isotope_Atom_Count	0
10219763	Covalent_Unit_Count	1
2735142	Covalent_Unit_Count	2
22091090	Covalent_Unit_Count	1
15269993	Isotope_Atom_Count	0
4451	Undefined_Atom_Stereo_Count	5
11862	Covalent_Unit_Count	1
70685697	Total_Formal_Charge	0
10309114	Hydrogen_Bond_Donor_Count	2
136420	Mono_Isotopic_Weight	312.09977361
10438	Defined_Atom_Stereo_Count	0
60196379	TPSA	94.8
16036578	Structure_Complexity	506
92185	Covalent_Unit_Count	1
85979	Hydrogen_Bond_Acceptor_Count	1
7762	Total_Formal_Charge	0
16204478	Hydrogen_Bond_Acceptor_Count	5
146158693	Undefined_Atom_Stereo_Count	4
657085	Covalent_Unit_Count	1
80694	Undefined_Bond_Stereo_Count	0
4119106	Hydrogen_Bond_Donor_Count	1
44193111	Hydrogen_Bond_Donor_Count	1
6667	Structure_Complexity	322
566685	Hydrogen_Bond_Donor_Count	0
59665407	Isotope_Atom_Count	0
11349789	Undefined_Atom_Stereo_Count	0
6438150	Mono_Isotopic_Weight	418.19915329
71571512	Mono_Isotopic_Weight	527.23263824
5488579	Undefined_Atom_Stereo_Count	0
5724	Mono_Isotopic_Weight	439.95748
93143	Defined_Bond_Stereo_Count	0
62705860	Exact_Mass	425.12119258
91750	Isotope_Atom_Count	0
123611	Mono_Isotopic_Weight	1726.7707769
99057	Isotope_Atom_Count	0
24087	Undefined_Atom_Stereo_Count	0
12444348	Undefined_Bond_Stereo_Count	0
69873	Covalent_Unit_Count	1
3052777	Mono_Isotopic_Weight	373.0384821
10887985	Exact_Mass	138.140850574
8475	Undefined_Bond_Stereo_Count	0
13772685	Undefined_Bond_Stereo_Count	0
2724126	Isotope_Atom_Count	0
107045	Hydrogen_Bond_Acceptor_Count	4
6169	Defined_Atom_Stereo_Count	5
5921	Rotatable_Bond_Count	2
9888340	Defined_Atom_Stereo_Count	2
70403801	Mono_Isotopic_Weight	228.05686342
477	Covalent_Unit_Count	1
12599600	Covalent_Unit_Count	1
2679179	Defined_Bond_Stereo_Count	0
90532	Undefined_Bond_Stereo_Count	0
6434112	Structure_Complexity	688
70689446	XLogP3-AA	1.5
153921	Non-hydrogen_Atom_Count	30
59736263	Hydrogen_Bond_Acceptor_Count	2
21914607	Molecular_Weight	99.17
5284359	Hydrogen_Bond_Acceptor_Count	2
178103	Total_Formal_Charge	0
62965	XLogP3	2
6540277	Undefined_Atom_Stereo_Count	0
136784	Hydrogen_Bond_Acceptor_Count	3
7924	TPSA	35.5
118984450	Mono_Isotopic_Weight	5803.6376502
21019405	Covalent_Unit_Count	1
5959	Undefined_Bond_Stereo_Count	0
60724	XLogP3-AA	2.6
8895	Total_Formal_Charge	0
13268340	Mono_Isotopic_Weight	112.063662883
188350	Undefined_Atom_Stereo_Count	0
90452	Isotope_Atom_Count	0
36131	Rotatable_Bond_Count	9
14143095	Molecular_Weight	116.11
3566445	TPSA	79.6
55089	Non-hydrogen_Atom_Count	21
6608	Defined_Bond_Stereo_Count	0
54352844	Molecular_Weight	98.10
14013	Mono_Isotopic_Weight	79.026943022
53465	Defined_Bond_Stereo_Count	0
23528316	Mono_Isotopic_Weight	113.058911855
127909	Defined_Bond_Stereo_Count	0
248271	Defined_Bond_Stereo_Count	0
7732	Total_Formal_Charge	0
118578546	Defined_Atom_Stereo_Count	0
3413278	Defined_Atom_Stereo_Count	0
16118392	Molecular_Weight	633.7
67810472	Covalent_Unit_Count	1
520667	Mono_Isotopic_Weight	100.052429494
574808	Isotope_Atom_Count	0
19499	Exact_Mass	86.036779430
5486198	Isotope_Atom_Count	0
18506429	Total_Formal_Charge	0
5488547	Covalent_Unit_Count	3
28230148	TPSA	93.2
199229	Hydrogen_Bond_Acceptor_Count	2
9928	Molecular_Weight	327.8
179336	Hydrogen_Bond_Acceptor_Count	5
23305129	Exact_Mass	904.44565070
76487	Hydrogen_Bond_Acceptor_Count	5
2734164	Hydrogen_Bond_Donor_Count	0
14457	Non-hydrogen_Atom_Count	15
16837	Hydrogen_Bond_Acceptor_Count	5
21929	Total_Formal_Charge	0
9813758	Undefined_Bond_Stereo_Count	0
2762906	TPSA	33.1
69340843	Mono_Isotopic_Weight	111.079647300
129629392	Isotope_Atom_Count	1
38875	Mono_Isotopic_Weight	289.922361
11073372	Defined_Atom_Stereo_Count	0
82418997	Isotope_Atom_Count	0
10197660	Defined_Atom_Stereo_Count	0
10866836	Total_Formal_Charge	0
64962	Defined_Bond_Stereo_Count	0
6539029	Undefined_Bond_Stereo_Count	0
475320	Mono_Isotopic_Weight	572.98649516
24536	Structure_Complexity	135
12596294	Hydrogen_Bond_Acceptor_Count	2
324814	Rotatable_Bond_Count	4
129721137	Isotope_Atom_Count	0
134129846	Undefined_Bond_Stereo_Count	0
136355	Structure_Complexity	58.3
3243927	Total_Formal_Charge	0
3401849	Exact_Mass	123.03539970
18442762	Hydrogen_Bond_Acceptor_Count	2
56134	Defined_Atom_Stereo_Count	0
14626857	Covalent_Unit_Count	1
156024996	Rotatable_Bond_Count	111
84141	Non-hydrogen_Atom_Count	17
156186164	Mono_Isotopic_Weight	113.084063974
5362456	Mono_Isotopic_Weight	271.157228913
1242	Mono_Isotopic_Weight	255.125928785
123642	Isotope_Atom_Count	0
3444	Tautomer_Count	1
84647680	Covalent_Unit_Count	1
1123	Structure_Complexity	120
3038482	Undefined_Bond_Stereo_Count	0
77129	Structure_Complexity	46.8
2002	Molecular_Weight	246.26
129722163	Defined_Atom_Stereo_Count	0
15650	Hydrogen_Bond_Donor_Count	0
9928181	Hydrogen_Bond_Donor_Count	3
91378988	TPSA	44.7
1550330	Defined_Bond_Stereo_Count	2
562720	TPSA	49.6
1046	Rotatable_Bond_Count	1
708614	Isotope_Atom_Count	0
3732019	TPSA	29.8
69885	Covalent_Unit_Count	1
54758308	Mono_Isotopic_Weight	471.26342531
282001	Defined_Atom_Stereo_Count	0
12259684	Structure_Complexity	506
20690429	Rotatable_Bond_Count	8
53678373	Covalent_Unit_Count	1
44017	Mono_Isotopic_Weight	333.081783
63991	Hydrogen_Bond_Acceptor_Count	5
5370325	Isotope_Atom_Count	0
16560	Total_Formal_Charge	0
16739650	Molecular_Weight	372.5
9307	Molecular_Weight	211.21
85339	TPSA	37.3
5977	Mono_Isotopic_Weight	175.956248
32897	Exact_Mass	151.099714038
129630288	Rotatable_Bond_Count	4
5794	Defined_Atom_Stereo_Count	0
599	Isotope_Atom_Count	0
64647	Covalent_Unit_Count	2
69	Mono_Isotopic_Weight	156.04225873
1519	Undefined_Atom_Stereo_Count	4
91347456	Rotatable_Bond_Count	1
23116021	Exact_Mass	144.138839198
9952884	Undefined_Atom_Stereo_Count	0
4369579	Molecular_Weight	239.30
14092185	Total_Formal_Charge	0
34515	Tautomer_Count	2
51522	Undefined_Bond_Stereo_Count	0
21024469	Rotatable_Bond_Count	0
360129	Non-hydrogen_Atom_Count	28
90977886	Structure_Complexity	96.6
16129675	Molecular_Weight	1352.4
15533	Defined_Atom_Stereo_Count	0
6671	Hydrogen_Bond_Donor_Count	0
57621	TPSA	49.2
85945952	Hydrogen_Bond_Acceptor_Count	2
65495	Hydrogen_Bond_Acceptor_Count	5
9970626	Structure_Complexity	304
15136232	Defined_Bond_Stereo_Count	0
69930345	Total_Formal_Charge	0
15932798	Undefined_Atom_Stereo_Count	0
23465004	XLogP3-AA	0.5
139589209	Defined_Bond_Stereo_Count	5
641543	Defined_Bond_Stereo_Count	0
57535	Hydrogen_Bond_Acceptor_Count	4
5280805	Defined_Bond_Stereo_Count	0
59325	Non-hydrogen_Atom_Count	27
10662	Undefined_Atom_Stereo_Count	0
53507	Undefined_Atom_Stereo_Count	0
6852167	TPSA	145
9867361	Defined_Bond_Stereo_Count	0
98218	Defined_Bond_Stereo_Count	0
13379958	XLogP3-AA	0.6
137249786	Mono_Isotopic_Weight	538.30428706
18175	XLogP3-AA	2
44567097	Total_Formal_Charge	0
41170	Tautomer_Count	1
3866	Defined_Bond_Stereo_Count	0
6173	Exact_Mass	422.19877662
29352	Mono_Isotopic_Weight	152.083729621
135409400	Total_Formal_Charge	0
95162202	Mono_Isotopic_Weight	342.11621151
57656729	Exact_Mass	414.1225460
15174589	Covalent_Unit_Count	1
152257	Exact_Mass	201.151749610
23165199	Defined_Bond_Stereo_Count	0
65124	TPSA	129
108074	Covalent_Unit_Count	1
79332	Undefined_Bond_Stereo_Count	0
519599	Rotatable_Bond_Count	2
548835	Undefined_Atom_Stereo_Count	0
20394923	TPSA	46.2
78610	Defined_Bond_Stereo_Count	0
479930	Undefined_Atom_Stereo_Count	1
13661	Undefined_Atom_Stereo_Count	0
116	Defined_Bond_Stereo_Count	0
115011049	TPSA	26.3
135492	Covalent_Unit_Count	1
550964	Isotope_Atom_Count	0
10001337	Rotatable_Bond_Count	3
94381	Defined_Bond_Stereo_Count	0
53473572	Molecular_Weight	542.4
94906	Exact_Mass	159.068413911
6602378	Structure_Complexity	686
59966641	Exact_Mass	416.32904526
16049448	Covalent_Unit_Count	1
364849	Undefined_Bond_Stereo_Count	0
12578544	Exact_Mass	117.078978594
69341160	Covalent_Unit_Count	1
605877	Defined_Bond_Stereo_Count	0
11632418	Covalent_Unit_Count	1
68938028	TPSA	53
68333315	Covalent_Unit_Count	1
62325	Covalent_Unit_Count	1
70678916	Hydrogen_Bond_Acceptor_Count	8
586676	Molecular_Weight	180.20
6764	Defined_Atom_Stereo_Count	0
6	Structure_Complexity	224
8285	Non-hydrogen_Atom_Count	9
44557554	Exact_Mass	528.27121086
88332	Isotope_Atom_Count	0
536113	Undefined_Bond_Stereo_Count	0
21430317	Undefined_Atom_Stereo_Count	2
59067341	Exact_Mass	116.047344113
262752	Structure_Complexity	267
64973752	Structure_Complexity	71.4
57586319	Defined_Atom_Stereo_Count	0
16526	Exact_Mass	146.01499861
22475	Defined_Bond_Stereo_Count	0
11523	Total_Formal_Charge	0
137704528	Isotope_Atom_Count	0
76207	Structure_Complexity	164
398652	Isotope_Atom_Count	0
2676	Defined_Atom_Stereo_Count	0
67279	Defined_Atom_Stereo_Count	0
14672754	Total_Formal_Charge	0
64914374	Mono_Isotopic_Weight	112.088815002
12004215	TPSA	487
15427	Exact_Mass	159.104799419
25306	Isotope_Atom_Count	0
6321405	Hydrogen_Bond_Donor_Count	1
82241	Hydrogen_Bond_Donor_Count	0
657180	Undefined_Bond_Stereo_Count	0
60195903	Hydrogen_Bond_Acceptor_Count	4
13860942	Hydrogen_Bond_Acceptor_Count	3
53479	Non-hydrogen_Atom_Count	14
247470	Molecular_Weight	104.15
3330	Defined_Atom_Stereo_Count	0
9723	Defined_Bond_Stereo_Count	0
131740853	Hydrogen_Bond_Donor_Count	3
74570	Total_Formal_Charge	0
12899069	Hydrogen_Bond_Acceptor_Count	6
119380	Structure_Complexity	163
701038	Mono_Isotopic_Weight	318.00039
6452618	Rotatable_Bond_Count	8
992406	Non-hydrogen_Atom_Count	24
15383909	Defined_Atom_Stereo_Count	14
694743	Undefined_Bond_Stereo_Count	0
6419722	Mono_Isotopic_Weight	121.01974964
4271571	Undefined_Bond_Stereo_Count	0
439839	Isotope_Atom_Count	0
129662960	Structure_Complexity	275
24848325	Defined_Bond_Stereo_Count	0
5359464	Defined_Bond_Stereo_Count	0
452977	Hydrogen_Bond_Acceptor_Count	5
136340880	Molecular_Weight	108.10
3613546	Covalent_Unit_Count	3
22225706	Mono_Isotopic_Weight	101.084063974
44577705	Total_Formal_Charge	0
5283345	Hydrogen_Bond_Acceptor_Count	1
11287722	Tautomer_Count	3
61867	Undefined_Atom_Stereo_Count	0
69347980	Covalent_Unit_Count	1
61672	Undefined_Bond_Stereo_Count	0
556684	Total_Formal_Charge	0
86882	Hydrogen_Bond_Acceptor_Count	2
284948	Hydrogen_Bond_Acceptor_Count	6
21998472	Covalent_Unit_Count	1
68928	Isotope_Atom_Count	0
38883	Covalent_Unit_Count	1
4477	Mono_Isotopic_Weight	325.9861121
20674	Total_Formal_Charge	0
2372	Covalent_Unit_Count	1
51082	Molecular_Weight	517.4
5282230	Total_Formal_Charge	0
55220664	Molecular_Weight	98.15
5462501	Hydrogen_Bond_Acceptor_Count	6
24603	Covalent_Unit_Count	1
86018330	Mono_Isotopic_Weight	92.062600255
83669980	Structure_Complexity	92.5
73277	Exact_Mass	113.9984758
23282906	Undefined_Atom_Stereo_Count	2
6436633	Rotatable_Bond_Count	12
23681909	Mono_Isotopic_Weight	886.0546507
22420437	Molecular_Weight	83.13
73795	Covalent_Unit_Count	1
118177912	Hydrogen_Bond_Acceptor_Count	1
65309	TPSA	157
72200863	Exact_Mass	554.32301113
3086674	Isotope_Atom_Count	1
7899	Undefined_Atom_Stereo_Count	0
28727	Structure_Complexity	237
25607	XLogP3	5.5
62305	Structure_Complexity	956
5282315	Defined_Bond_Stereo_Count	2
5359620	Structure_Complexity	127
86287524	Rotatable_Bond_Count	0
47795	TPSA	41.6
65906	Defined_Atom_Stereo_Count	0
70103	Mono_Isotopic_Weight	83.073499291
99143	Molecular_Weight	210.3
66714960	Undefined_Atom_Stereo_Count	0
23664644	Mono_Isotopic_Weight	194.99660851
77232	Defined_Atom_Stereo_Count	0
153274329	Undefined_Bond_Stereo_Count	0
71494926	Exact_Mass	844.32837076
158389	Undefined_Bond_Stereo_Count	0
10057444	Structure_Complexity	58.6
14809442	Isotope_Atom_Count	0
12277679	Rotatable_Bond_Count	2
67108207	Molecular_Weight	316.82
5953	Molecular_Weight	324.4
6419962	Covalent_Unit_Count	2
20561716	Molecular_Weight	97.08
95913783	Undefined_Atom_Stereo_Count	0
18029	Undefined_Atom_Stereo_Count	0
449435	Exact_Mass	591.23157562
59483386	Molecular_Weight	116.12
554	Isotope_Atom_Count	0
102657	Undefined_Atom_Stereo_Count	1
15548	Undefined_Atom_Stereo_Count	1
12540907	Defined_Atom_Stereo_Count	0
22421116	Hydrogen_Bond_Donor_Count	0
7530950	Covalent_Unit_Count	1
129716995	Non-hydrogen_Atom_Count	26
68778068	Defined_Atom_Stereo_Count	0
153241	Exact_Mass	452.16958450
101130	Rotatable_Bond_Count	0
5237	TPSA	37.3
45794	Covalent_Unit_Count	2
16211941	Non-hydrogen_Atom_Count	12
2752588	Isotope_Atom_Count	0
13355	Rotatable_Bond_Count	1
5370325	Undefined_Bond_Stereo_Count	0
101080369	Undefined_Bond_Stereo_Count	0
163050679	Non-hydrogen_Atom_Count	20
165901	Structure_Complexity	317
6995749	Defined_Atom_Stereo_Count	0
347476	Defined_Atom_Stereo_Count	0
23662512	Covalent_Unit_Count	2
9948896	Structure_Complexity	518
13765439	Undefined_Bond_Stereo_Count	0
67782238	Isotope_Atom_Count	0
439201	Total_Formal_Charge	0
11115032	Defined_Bond_Stereo_Count	0
3282	Molecular_Weight	165.19
12343986	Hydrogen_Bond_Acceptor_Count	2
213043	Undefined_Atom_Stereo_Count	1
91272	Structure_Complexity	429
6604472	Structure_Complexity	375
709955	Total_Formal_Charge	0
4141783	Mono_Isotopic_Weight	288.175224706
27375	Exact_Mass	212.0716407
10333	Exact_Mass	124.052429494
20514191	Hydrogen_Bond_Donor_Count	1
69913	Defined_Atom_Stereo_Count	0
90498	Non-hydrogen_Atom_Count	6
323180	Mono_Isotopic_Weight	110.059246208
12507028	Undefined_Bond_Stereo_Count	0
5324168	Hydrogen_Bond_Acceptor_Count	2
12428066	Exact_Mass	111.068413911
9570985	Molecular_Weight	598.6
76048	Isotope_Atom_Count	0
16932	TPSA	0
4042	XLogP3	4.1
4922	Isotope_Atom_Count	0
24771	Non-hydrogen_Atom_Count	4
3269	Defined_Bond_Stereo_Count	0
23616699	Hydrogen_Bond_Acceptor_Count	5
53914181	Exact_Mass	94.041864811
22757346	Hydrogen_Bond_Donor_Count	0
6604605	Undefined_Atom_Stereo_Count	0
52291	Tautomer_Count	1
122685	Hydrogen_Bond_Acceptor_Count	12
77554	Molecular_Weight	435.6
10478	Mono_Isotopic_Weight	152.90755
168256	Structure_Complexity	511
9989237	Structure_Complexity	68.3
5095	Defined_Bond_Stereo_Count	0
98044588	Hydrogen_Bond_Acceptor_Count	2
5281075	XLogP3	2.9
23456	Molecular_Weight	246.30
573744	Hydrogen_Bond_Donor_Count	1
133268492	Defined_Atom_Stereo_Count	10
3526102	Undefined_Atom_Stereo_Count	0
129830713	Non-hydrogen_Atom_Count	15
31	Defined_Atom_Stereo_Count	0
107217	Mono_Isotopic_Weight	196.146329876
134129703	Undefined_Atom_Stereo_Count	1
10964479	Defined_Bond_Stereo_Count	0
11596983	XLogP3-AA	4.4
28284151	Mono_Isotopic_Weight	477.1064684
87359450	Covalent_Unit_Count	1
11170991	Hydrogen_Bond_Donor_Count	2
19594968	Isotope_Atom_Count	0
87700	Undefined_Bond_Stereo_Count	0
97919	Isotope_Atom_Count	0
51585	Molecular_Weight	224.32
24978601	Covalent_Unit_Count	1
34072	Molecular_Weight	114.19
57353643	Molecular_Weight	317.4
65802	Undefined_Bond_Stereo_Count	0
601401	Hydrogen_Bond_Donor_Count	0
220181	Structure_Complexity	327
12936855	Exact_Mass	114.104465066
1517	Total_Formal_Charge	0
50023	Structure_Complexity	255
20054849	Defined_Bond_Stereo_Count	2
10977	Mono_Isotopic_Weight	106.0549280
24532	Undefined_Bond_Stereo_Count	0
3149	Undefined_Atom_Stereo_Count	0
22819	Non-hydrogen_Atom_Count	10
22108	Undefined_Atom_Stereo_Count	0
565471	Mono_Isotopic_Weight	168.115029749
88771	Hydrogen_Bond_Donor_Count	0
248271	Total_Formal_Charge	0
92934	Undefined_Atom_Stereo_Count	0
11667893	Non-hydrogen_Atom_Count	28
145454105	Exact_Mass	358.14884905
9537	Undefined_Bond_Stereo_Count	0
6436870	Molecular_Weight	393.5
44454985	Defined_Atom_Stereo_Count	1
53317110	Non-hydrogen_Atom_Count	19
13610	Tautomer_Count	1
6519	Hydrogen_Bond_Donor_Count	4
25213416	TPSA	26
20547	Hydrogen_Bond_Donor_Count	0
62219	Undefined_Atom_Stereo_Count	0
203433	Undefined_Atom_Stereo_Count	0
12732836	Rotatable_Bond_Count	1
6852393	Molecular_Weight	272.4
9526	Hydrogen_Bond_Acceptor_Count	6
31315	TPSA	69.6
77687	Undefined_Bond_Stereo_Count	0
19919696	Structure_Complexity	131
11697697	Defined_Atom_Stereo_Count	0
21696748	Undefined_Atom_Stereo_Count	2
6379	Covalent_Unit_Count	2
6918543	Total_Formal_Charge	0
129446563	Covalent_Unit_Count	1
358067	Rotatable_Bond_Count	0
2724640	Total_Formal_Charge	0
11286453	XLogP3-AA	0.2
20553328	Molecular_Weight	103.15
160876	Undefined_Atom_Stereo_Count	0
57927934	Mono_Isotopic_Weight	467.21686904
25142177	Defined_Bond_Stereo_Count	0
91986	Hydrogen_Bond_Acceptor_Count	1
45488116	Covalent_Unit_Count	1
95890	Hydrogen_Bond_Donor_Count	0
71340855	Undefined_Atom_Stereo_Count	0
11574638	Defined_Atom_Stereo_Count	0
6433396	Molecular_Weight	251.15
11591222	Hydrogen_Bond_Acceptor_Count	8
6918546	Defined_Atom_Stereo_Count	0
99327	Mono_Isotopic_Weight	319.08782920
142464198	Molecular_Weight	112.17
6437380	Isotope_Atom_Count	0
11274968	Hydrogen_Bond_Donor_Count	0
129720213	Undefined_Atom_Stereo_Count	0
54684598	Structure_Complexity	502
5378825	Hydrogen_Bond_Donor_Count	1
243274	Covalent_Unit_Count	1
95946	Defined_Bond_Stereo_Count	0
43139	Isotope_Atom_Count	0
751826	Hydrogen_Bond_Donor_Count	1
5354626	Tautomer_Count	4
91461198	Covalent_Unit_Count	1
55220664	Defined_Atom_Stereo_Count	0
101800463	TPSA	19
23422065	XLogP3-AA	0.1
12522360	XLogP3-AA	1.6
441285	Undefined_Bond_Stereo_Count	0
16821	Non-hydrogen_Atom_Count	14
11386	Isotope_Atom_Count	0
23749	TPSA	140
145875202	Defined_Atom_Stereo_Count	13
24728612	Molecular_Weight	776.6
202195	Defined_Bond_Stereo_Count	0
18212	Mono_Isotopic_Weight	197.12766012
67691	Undefined_Atom_Stereo_Count	0
124013	Molecular_Weight	319.18
7133	Undefined_Bond_Stereo_Count	0
14135407	XLogP3-AA	1.4
82938	Non-hydrogen_Atom_Count	3
93146	Hydrogen_Bond_Donor_Count	2
5289590	Isotope_Atom_Count	0
34457	Hydrogen_Bond_Donor_Count	2
7773	Covalent_Unit_Count	1
9794218	TPSA	54
55105	Defined_Atom_Stereo_Count	0
10192564	Defined_Atom_Stereo_Count	0
87438806	Defined_Atom_Stereo_Count	0
80165	Isotope_Atom_Count	0
129090013	Total_Formal_Charge	0
11200	Hydrogen_Bond_Acceptor_Count	0
10630456	Defined_Bond_Stereo_Count	0
9313	Mono_Isotopic_Weight	273.011291
4722	Defined_Bond_Stereo_Count	0
14976610	Mono_Isotopic_Weight	109.089149355
14862984	XLogP3-AA	0.3
77412	Isotope_Atom_Count	0
139062527	Structure_Complexity	368
129668601	Molecular_Weight	145.12
82197	Tautomer_Count	2
54206132	Undefined_Atom_Stereo_Count	0
11478	Hydrogen_Bond_Acceptor_Count	7
34127	Mono_Isotopic_Weight	513.99936503
136231689	Total_Formal_Charge	0
67828	XLogP3	2.2
129600762	Total_Formal_Charge	0
9820008	Defined_Bond_Stereo_Count	0
22124932	Rotatable_Bond_Count	0
135923569	Hydrogen_Bond_Acceptor_Count	4
2884	Defined_Atom_Stereo_Count	0
67409219	Defined_Bond_Stereo_Count	0
5311504	Structure_Complexity	963
595230	Hydrogen_Bond_Acceptor_Count	2
3081362	Tautomer_Count	970
101016656	Defined_Atom_Stereo_Count	0
116842253	TPSA	23.8
168871	Molecular_Weight	563.7
71429557	Isotope_Atom_Count	0
429551	Molecular_Weight	144.17
53846425	Hydrogen_Bond_Acceptor_Count	3
5281650	Defined_Atom_Stereo_Count	0
53952576	Exact_Mass	96.093900383
57399796	Defined_Atom_Stereo_Count	0
44629456	Hydrogen_Bond_Donor_Count	6
77662	Isotope_Atom_Count	0
123653016	Molecular_Weight	98.14
15982150	Isotope_Atom_Count	0
148139	Isotope_Atom_Count	0
70969	TPSA	26
193653	Hydrogen_Bond_Donor_Count	3
94527	Isotope_Atom_Count	0
6506803	Structure_Complexity	771
65919	XLogP3-AA	0.5
43935	Hydrogen_Bond_Acceptor_Count	3
58774648	Isotope_Atom_Count	0
51951	Isotope_Atom_Count	0
14743344	Hydrogen_Bond_Acceptor_Count	3
12960	Undefined_Atom_Stereo_Count	2
213013	Covalent_Unit_Count	1
98181817	Isotope_Atom_Count	0
6993349	Molecular_Weight	165.28
265	Undefined_Bond_Stereo_Count	0
3710788	Structure_Complexity	66.5
21867906	Covalent_Unit_Count	2
5833	Undefined_Bond_Stereo_Count	0
534012	XLogP3-AA	0.9
54758309	Isotope_Atom_Count	0
56987624	XLogP3-AA	0.4
24808	Defined_Atom_Stereo_Count	0
81767	XLogP3-AA	0.4
17769889	Molecular_Weight	100.16
8477	TPSA	100
137706167	Hydrogen_Bond_Acceptor_Count	16
70719	Molecular_Weight	109.13
5877	Defined_Bond_Stereo_Count	0
122706485	Exact_Mass	2166.9705054
2763	Structure_Complexity	333
3083655	Tautomer_Count	2
135705228	Hydrogen_Bond_Donor_Count	8
16667730	Non-hydrogen_Atom_Count	58
51001932	Undefined_Bond_Stereo_Count	0
39976	Mono_Isotopic_Weight	371.0495256
57545	Defined_Bond_Stereo_Count	0
164912	Total_Formal_Charge	1
139591683	Undefined_Bond_Stereo_Count	0
513917	Hydrogen_Bond_Acceptor_Count	8
12622583	Molecular_Weight	110.20
14359581	Molecular_Weight	109.13
53960	TPSA	33.5
71587637	XLogP3-AA	3.9
8396	Undefined_Atom_Stereo_Count	0
6327514	Defined_Atom_Stereo_Count	0
4545429	Covalent_Unit_Count	1
81480	Total_Formal_Charge	0
62882	Isotope_Atom_Count	0
10395173	Undefined_Atom_Stereo_Count	0
73148	Non-hydrogen_Atom_Count	77
54565105	Covalent_Unit_Count	1
5497195	XLogP3-AA	7.5
61968	Hydrogen_Bond_Donor_Count	1
129980649	Hydrogen_Bond_Acceptor_Count	2
5366352	XLogP3-AA	2.6
54046302	Covalent_Unit_Count	1
4033	Hydrogen_Bond_Acceptor_Count	1
138074	Exact_Mass	98.109550447
91563	Undefined_Bond_Stereo_Count	0
75674	Defined_Atom_Stereo_Count	0
78123	Structure_Complexity	177
68289914	XLogP3-AA	1.3
13404	Covalent_Unit_Count	1
4343	Covalent_Unit_Count	1
3083542	Molecular_Weight	400.5
82993	Isotope_Atom_Count	0
1087331	Total_Formal_Charge	0
6842999	Undefined_Atom_Stereo_Count	1
11193251	Defined_Atom_Stereo_Count	0
142559332	Hydrogen_Bond_Acceptor_Count	1
85057	Hydrogen_Bond_Donor_Count	2
54033886	Isotope_Atom_Count	0
443210	Covalent_Unit_Count	1
62788	Hydrogen_Bond_Donor_Count	4
11366997	Hydrogen_Bond_Donor_Count	1
195906	Defined_Atom_Stereo_Count	0
941651	Covalent_Unit_Count	1
2168	Rotatable_Bond_Count	6
24352	Total_Formal_Charge	0
55423	Total_Formal_Charge	0
137727	Exact_Mass	78.0469501914
21802862	Undefined_Atom_Stereo_Count	0
7098663	Undefined_Bond_Stereo_Count	0
51432351	Covalent_Unit_Count	1
594832	Structure_Complexity	193
47319	Tautomer_Count	1
137808	Hydrogen_Bond_Acceptor_Count	1
7043	Hydrogen_Bond_Donor_Count	0
59966656	Non-hydrogen_Atom_Count	30
160280695	Hydrogen_Bond_Donor_Count	0
44350128	Hydrogen_Bond_Acceptor_Count	3
137537	Defined_Atom_Stereo_Count	0
75657	Molecular_Weight	127.18
1771194	Isotope_Atom_Count	0
12936730	Undefined_Bond_Stereo_Count	0
134008	Mono_Isotopic_Weight	228.99796882
12244237	Mono_Isotopic_Weight	77.97755048
11224	Undefined_Atom_Stereo_Count	1
182176	XLogP3	0.3
233240	Molecular_Weight	162.15
2123	Mono_Isotopic_Weight	210.15929460
25780	Rotatable_Bond_Count	7
208910	Hydrogen_Bond_Donor_Count	0
817122	Defined_Atom_Stereo_Count	0
818256	Defined_Bond_Stereo_Count	0
347271	Total_Formal_Charge	0
69425	Molecular_Weight	250.5
96269	Tautomer_Count	1
21702	TPSA	25.3
15942890	Structure_Complexity	721
15566624	Structure_Complexity	100
584645	Isotope_Atom_Count	0
116706	Hydrogen_Bond_Acceptor_Count	4
71300726	Non-hydrogen_Atom_Count	225
6604796	TPSA	70.9
66912	Rotatable_Bond_Count	6
96299	Hydrogen_Bond_Donor_Count	2
77999	Non-hydrogen_Atom_Count	25
6102852	Mono_Isotopic_Weight	605.13321
146156212	Hydrogen_Bond_Acceptor_Count	7
123959	Mono_Isotopic_Weight	949.49494136
1883	Defined_Bond_Stereo_Count	0
44565821	TPSA	142
18186100	Mono_Isotopic_Weight	101.00476828
141379122	Total_Formal_Charge	0
89576913	Undefined_Bond_Stereo_Count	0
16130278	Non-hydrogen_Atom_Count	114
99580	XLogP3-AA	3.1
71873	Undefined_Bond_Stereo_Count	0
121235738	Hydrogen_Bond_Acceptor_Count	7
86134	Non-hydrogen_Atom_Count	23
53380818	Rotatable_Bond_Count	5
54215673	Defined_Bond_Stereo_Count	0
53674	Defined_Atom_Stereo_Count	0
61059	Covalent_Unit_Count	1
67522784	Non-hydrogen_Atom_Count	5
118946372	Isotope_Atom_Count	0
375860	Tautomer_Count	3
58981134	Defined_Atom_Stereo_Count	0
44144429	TPSA	154
90987052	XLogP3-AA	3.1
135540987	Exact_Mass	409.15974809
6328657	Undefined_Atom_Stereo_Count	0
6918295	Covalent_Unit_Count	1
637996	Total_Formal_Charge	0
13976498	Molecular_Weight	94.15
7667	Hydrogen_Bond_Donor_Count	0
11596881	Isotope_Atom_Count	0
10926	Undefined_Bond_Stereo_Count	0
2724372	TPSA	36.4
12369703	Defined_Atom_Stereo_Count	0
17586	Hydrogen_Bond_Donor_Count	0
21547708	Covalent_Unit_Count	1
59390227	Covalent_Unit_Count	1
61017	Tautomer_Count	1
24856	Molecular_Weight	258.21
60769	Isotope_Atom_Count	0
119346	Hydrogen_Bond_Acceptor_Count	1
33925	Undefined_Atom_Stereo_Count	0
77574	Undefined_Bond_Stereo_Count	0
5323977	Mono_Isotopic_Weight	114.042927438
40468194	TPSA	147
670	Non-hydrogen_Atom_Count	6
2724294	Exact_Mass	166.062994177
135413520	Exact_Mass	471.11307191
657251	Rotatable_Bond_Count	4
25163980	Defined_Atom_Stereo_Count	4
16133892	Exact_Mass	1700.1729741
3033985	Structure_Complexity	519
137331882	Hydrogen_Bond_Donor_Count	1
10718	Structure_Complexity	338
44206533	Hydrogen_Bond_Donor_Count	0
10234	Defined_Bond_Stereo_Count	0
91589206	Molecular_Weight	106.16
99807	Total_Formal_Charge	0
136889	Defined_Atom_Stereo_Count	0
834146	Rotatable_Bond_Count	1
3331	Undefined_Atom_Stereo_Count	0
521355	Hydrogen_Bond_Acceptor_Count	1
38879	Isotope_Atom_Count	0
81923	Non-hydrogen_Atom_Count	9
24870668	Defined_Atom_Stereo_Count	19
21699428	Molecular_Weight	109.13
24393	Defined_Atom_Stereo_Count	0
704225	Undefined_Atom_Stereo_Count	0
124723	Rotatable_Bond_Count	0
53232451	Structure_Complexity	513
24568	Molecular_Weight	458.3
20617585	Non-hydrogen_Atom_Count	7
60150330	Total_Formal_Charge	0
139001	Rotatable_Bond_Count	0
53936618	Covalent_Unit_Count	1
3813	Defined_Bond_Stereo_Count	0
21584701	XLogP3-AA	3
6433198	Covalent_Unit_Count	3
21917899	Non-hydrogen_Atom_Count	13
77338	Undefined_Bond_Stereo_Count	0
71437313	XLogP3-AA	0.8
5282426	Rotatable_Bond_Count	3
57486971	TPSA	23.8
11375895	Molecular_Weight	523.8
123479258	Defined_Bond_Stereo_Count	0
22278	Undefined_Bond_Stereo_Count	0
16217526	Defined_Bond_Stereo_Count	0
6278	XLogP3-AA	2.4
26229	Mono_Isotopic_Weight	186.0083718
101210282	Mono_Isotopic_Weight	90.0469501914
97780	XLogP3	3
25335	Tautomer_Count	1
88983603	Exact_Mass	100.088815002
102481651	TPSA	9.2
146156358	Non-hydrogen_Atom_Count	37
19757496	Defined_Atom_Stereo_Count	0
4479095	Exact_Mass	596.8033
56668950	Covalent_Unit_Count	1
135779828	Defined_Atom_Stereo_Count	0
4036	Undefined_Bond_Stereo_Count	0
208925	Hydrogen_Bond_Donor_Count	1
134	Hydrogen_Bond_Donor_Count	1
78031	TPSA	94.9
7222	Rotatable_Bond_Count	0
17881	Non-hydrogen_Atom_Count	44
24116	Total_Formal_Charge	0
17963	Non-hydrogen_Atom_Count	22
160940	Tautomer_Count	6
16205480	Hydrogen_Bond_Acceptor_Count	3
139593369	TPSA	289
124762104	TPSA	190
8167	Isotope_Atom_Count	0
139595130	Exact_Mass	527.23263824
153386581	Non-hydrogen_Atom_Count	7
68022407	Undefined_Bond_Stereo_Count	0
71814	Hydrogen_Bond_Donor_Count	0
14475	XLogP3	2.9
154202106	Undefined_Bond_Stereo_Count	0
13582607	Isotope_Atom_Count	0
31528	Isotope_Atom_Count	0
89990549	Non-hydrogen_Atom_Count	7
519793	Isotope_Atom_Count	0
163285106	XLogP3-AA	6.8
9819	Defined_Bond_Stereo_Count	0
40443	Undefined_Atom_Stereo_Count	3
10178705	Undefined_Atom_Stereo_Count	0
13220194	TPSA	83.8
23555879	Exact_Mass	99.068413911
66448	Isotope_Atom_Count	0
94297	Rotatable_Bond_Count	2
25133978	Isotope_Atom_Count	0
15132	Non-hydrogen_Atom_Count	11
29096	Structure_Complexity	116
11045	Undefined_Atom_Stereo_Count	0
4323	Isotope_Atom_Count	0
101796201	Structure_Complexity	151
10964334	Hydrogen_Bond_Donor_Count	8
13625887	Hydrogen_Bond_Donor_Count	0
118008485	Undefined_Bond_Stereo_Count	0
96917	Rotatable_Bond_Count	0
21685	Defined_Bond_Stereo_Count	0
47635	Exact_Mass	339.13313942
160244305	Mono_Isotopic_Weight	1201.84136802
16052039	Undefined_Bond_Stereo_Count	0
20251205	Exact_Mass	112.063662883
36392	Isotope_Atom_Count	0
15466	Tautomer_Count	4
5284329	Mono_Isotopic_Weight	520.25867428
897177	Molecular_Weight	349.4
65452	Tautomer_Count	3
44148067	Isotope_Atom_Count	0
24958200	Structure_Complexity	449
36250	Tautomer_Count	1
119098022	Isotope_Atom_Count	0
72092	Structure_Complexity	600
643	Hydrogen_Bond_Acceptor_Count	3
90614	TPSA	87.4
65909	Undefined_Bond_Stereo_Count	0
16114800	Molecular_Weight	1001.1
49692	Molecular_Weight	379.4
13462200	Hydrogen_Bond_Donor_Count	1
71317096	Molecular_Weight	182.17
91027156	Non-hydrogen_Atom_Count	8
21881641	Non-hydrogen_Atom_Count	58
155113	Total_Formal_Charge	0
44348	Rotatable_Bond_Count	1
160944	Defined_Bond_Stereo_Count	0
71486	Undefined_Atom_Stereo_Count	1
542762	Hydrogen_Bond_Acceptor_Count	2
17541	Hydrogen_Bond_Donor_Count	0
9690122	Non-hydrogen_Atom_Count	16
6539028	Hydrogen_Bond_Donor_Count	2
22108	Isotope_Atom_Count	0
1674	Isotope_Atom_Count	0
45266908	Non-hydrogen_Atom_Count	46
5280360	Defined_Bond_Stereo_Count	2
70276605	Hydrogen_Bond_Acceptor_Count	6
19835	Hydrogen_Bond_Acceptor_Count	2
154724068	Undefined_Bond_Stereo_Count	0
9921468	Defined_Atom_Stereo_Count	1
3731	Isotope_Atom_Count	0
73697	Mono_Isotopic_Weight	204.043596145
7057919	Total_Formal_Charge	0
18923031	Structure_Complexity	82.1
54742	TPSA	62
16132767	Molecular_Weight	1132.1
159952	Defined_Atom_Stereo_Count	0
1060	Hydrogen_Bond_Acceptor_Count	3
66773	Hydrogen_Bond_Donor_Count	1
664338	XLogP3-AA	4.8
13028028	Total_Formal_Charge	0
108054	Hydrogen_Bond_Acceptor_Count	1
572065	TPSA	20.2
5074	Defined_Atom_Stereo_Count	0
89159	Exact_Mass	208.07355886
44719547	Defined_Bond_Stereo_Count	0
74441105	Undefined_Atom_Stereo_Count	2
701198	TPSA	76.7
81056	Undefined_Bond_Stereo_Count	0
8972	Non-hydrogen_Atom_Count	27
65238029	Defined_Bond_Stereo_Count	0
5232593	Non-hydrogen_Atom_Count	5
40855	TPSA	132
74089	Rotatable_Bond_Count	4
6918446	Structure_Complexity	560
6435801	Exact_Mass	250.07185858
88398	Mono_Isotopic_Weight	87.104799419
6918639	Rotatable_Bond_Count	9
260716	Defined_Bond_Stereo_Count	0
90898717	Rotatable_Bond_Count	0
14527402	Non-hydrogen_Atom_Count	8
21133161	Structure_Complexity	261
61900360	Structure_Complexity	134
444013	Molecular_Weight	661.8
20821286	Isotope_Atom_Count	0
59177	Undefined_Atom_Stereo_Count	1
53320114	TPSA	25.4
557171	Total_Formal_Charge	0
270901	Covalent_Unit_Count	1
6917985	Structure_Complexity	409
428573	Structure_Complexity	254
165701938	Defined_Bond_Stereo_Count	0
32346	Defined_Bond_Stereo_Count	0
23663953	TPSA	97.9
3226	Hydrogen_Bond_Acceptor_Count	6
193602	Hydrogen_Bond_Acceptor_Count	3
25749227	Undefined_Bond_Stereo_Count	0
86912	Molecular_Weight	392.89
2826713	Non-hydrogen_Atom_Count	60
70916	Defined_Atom_Stereo_Count	0
1355	Rotatable_Bond_Count	1
248370	Undefined_Atom_Stereo_Count	0
637920	Rotatable_Bond_Count	1
36	Structure_Complexity	186
12367	Tautomer_Count	1
20256	Hydrogen_Bond_Donor_Count	2
10866282	Molecular_Weight	110.15
47953	Defined_Bond_Stereo_Count	0
135413518	Total_Formal_Charge	0
363475	Undefined_Bond_Stereo_Count	0
154496967	Structure_Complexity	382
129317062	Defined_Atom_Stereo_Count	1
91148	Exact_Mass	168.151415257
89351	Non-hydrogen_Atom_Count	16
129606990	TPSA	239
93418	Defined_Atom_Stereo_Count	0
176864	Defined_Bond_Stereo_Count	0
135459971	Defined_Atom_Stereo_Count	0
14463	Rotatable_Bond_Count	3
89789591	Undefined_Bond_Stereo_Count	0
10753	Undefined_Bond_Stereo_Count	0
99071	Undefined_Atom_Stereo_Count	1
22737404	Defined_Bond_Stereo_Count	0
15081	Defined_Bond_Stereo_Count	0
26430	Molecular_Weight	344.5
5281233	Mono_Isotopic_Weight	976.37875290
72736	Rotatable_Bond_Count	12
21249654	Covalent_Unit_Count	2
91163310	Undefined_Bond_Stereo_Count	0
14109	Undefined_Bond_Stereo_Count	0
418940	Non-hydrogen_Atom_Count	20
29675	Hydrogen_Bond_Donor_Count	3
1218	Hydrogen_Bond_Acceptor_Count	3
45480520	Defined_Atom_Stereo_Count	1
15293	Undefined_Atom_Stereo_Count	0
92044408	Hydrogen_Bond_Acceptor_Count	28
7060	Undefined_Bond_Stereo_Count	0
8190	TPSA	47.9
14637946	Undefined_Bond_Stereo_Count	0
15559064	Hydrogen_Bond_Donor_Count	0
10683	Isotope_Atom_Count	0
5494414	Structure_Complexity	454
21311941	Defined_Bond_Stereo_Count	0
21487318	Isotope_Atom_Count	0
195906	Hydrogen_Bond_Acceptor_Count	2
15535273	Undefined_Atom_Stereo_Count	0
96301	Structure_Complexity	401
6693	Defined_Atom_Stereo_Count	0
3790357	Rotatable_Bond_Count	1
31390	Hydrogen_Bond_Acceptor_Count	4
6604902	Defined_Bond_Stereo_Count	0
2724951	Hydrogen_Bond_Acceptor_Count	2
99058	Molecular_Weight	260.14
13539	Isotope_Atom_Count	0
284980	Total_Formal_Charge	0
631271	Structure_Complexity	426
53326689	XLogP3-AA	4.5
70333	Undefined_Atom_Stereo_Count	0
625469	Mono_Isotopic_Weight	421.036590
964	Hydrogen_Bond_Donor_Count	2
5284472	Molecular_Weight	332.9
6034084	Mono_Isotopic_Weight	230.12665706
124222212	Structure_Complexity	350
12500500	Hydrogen_Bond_Acceptor_Count	2
10105	Undefined_Bond_Stereo_Count	0
441333	Defined_Atom_Stereo_Count	0
2337	Defined_Atom_Stereo_Count	0
160876	Total_Formal_Charge	1
7702	Exact_Mass	150.104465066
13672886	Defined_Atom_Stereo_Count	0
7369	Mono_Isotopic_Weight	175.9698783
134460917	Molecular_Weight	504.6
163468867	Undefined_Bond_Stereo_Count	0
63546	Total_Formal_Charge	0
20055515	Defined_Atom_Stereo_Count	18
84442	Covalent_Unit_Count	1
40510	Isotope_Atom_Count	0
9883104	Defined_Bond_Stereo_Count	0
67678	Defined_Bond_Stereo_Count	0
5565	Defined_Atom_Stereo_Count	0
52940883	Total_Formal_Charge	0
10766	Structure_Complexity	247
448803	Non-hydrogen_Atom_Count	32
5310993	Exact_Mass	154.03784206
24848201	Structure_Complexity	260
6540277	Undefined_Bond_Stereo_Count	0
97456	XLogP3-AA	4.5
15166	Total_Formal_Charge	0
89261068	Structure_Complexity	109
10991489	Undefined_Bond_Stereo_Count	0
27435	Structure_Complexity	327
6925	Undefined_Atom_Stereo_Count	0
21989049	Mono_Isotopic_Weight	98.048012819
3117357	Defined_Atom_Stereo_Count	0
737375	Exact_Mass	166.05646950
42580058	Exact_Mass	342.11621151
4284331	Rotatable_Bond_Count	3
97226	Undefined_Bond_Stereo_Count	0
20056430	Total_Formal_Charge	0
443037	Undefined_Atom_Stereo_Count	0
10559	XLogP3-AA	2.8
18949974	Hydrogen_Bond_Acceptor_Count	3
67656161	Total_Formal_Charge	0
129761	Defined_Atom_Stereo_Count	0
57340467	Molecular_Weight	344.3
44207128	Hydrogen_Bond_Donor_Count	0
93550	Defined_Atom_Stereo_Count	0
89000581	Covalent_Unit_Count	1
14050	Isotope_Atom_Count	0
129651092	Exact_Mass	551.0560847
76398	Structure_Complexity	82.2
627679	Hydrogen_Bond_Acceptor_Count	4
135436515	Exact_Mass	444.97762691
78373	Undefined_Atom_Stereo_Count	0
54023535	Isotope_Atom_Count	0
84197	Isotope_Atom_Count	0
82734	Isotope_Atom_Count	0
6567	Rotatable_Bond_Count	1
5487427	Hydrogen_Bond_Donor_Count	1
125820	Non-hydrogen_Atom_Count	21
64040	Undefined_Atom_Stereo_Count	0
69332464	Undefined_Bond_Stereo_Count	0
158980	Isotope_Atom_Count	0
21719984	Exact_Mass	116.083729621
15174357	Molecular_Weight	114.19
32737	Isotope_Atom_Count	0
23080870	Hydrogen_Bond_Donor_Count	0
135396228	Hydrogen_Bond_Acceptor_Count	3
16167454	Molecular_Weight	2099.5
5362457	Mono_Isotopic_Weight	585.38180911
59561	Hydrogen_Bond_Acceptor_Count	2
45085104	Defined_Bond_Stereo_Count	0
18195	TPSA	88
11054313	Rotatable_Bond_Count	2
11108856	XLogP3-AA	2.5
20056814	Hydrogen_Bond_Donor_Count	1
21067	Isotope_Atom_Count	0
138492	Hydrogen_Bond_Acceptor_Count	4
23665765	Structure_Complexity	256
12648080	TPSA	39.4
46212	Structure_Complexity	523
101658	Rotatable_Bond_Count	2
10800	Molecular_Weight	198.13
1507	Total_Formal_Charge	1
92668	Undefined_Atom_Stereo_Count	0
86590530	Molecular_Weight	25.006
5311037	XLogP3-AA	2.5
22848362	Exact_Mass	361.0328700
3806	TPSA	54.4
22082547	Rotatable_Bond_Count	3
53643410	Structure_Complexity	66.7
79510	Non-hydrogen_Atom_Count	11
96281	Hydrogen_Bond_Acceptor_Count	4
65370	Mono_Isotopic_Weight	563.28025714
625295	Undefined_Bond_Stereo_Count	0
4513	Undefined_Bond_Stereo_Count	1
53346602	Mono_Isotopic_Weight	116.047344113
36688207	Molecular_Weight	347.5
12317881	Undefined_Atom_Stereo_Count	0
10129907	Structure_Complexity	79
443942	Isotope_Atom_Count	0
142482	Isotope_Atom_Count	0
2752638	Defined_Bond_Stereo_Count	0
93083	Rotatable_Bond_Count	1
10926093	Hydrogen_Bond_Acceptor_Count	2
44571915	Undefined_Bond_Stereo_Count	0
7826	Mono_Isotopic_Weight	144.115029749
114794	Hydrogen_Bond_Acceptor_Count	1
76589	XLogP3-AA	2.6
44513473	Hydrogen_Bond_Acceptor_Count	6
1128	Mono_Isotopic_Weight	104.02958605
67556876	Total_Formal_Charge	0
23666409	TPSA	204
9812772	Hydrogen_Bond_Acceptor_Count	2
157857	Hydrogen_Bond_Donor_Count	1
5319	Undefined_Bond_Stereo_Count	0
2284	Structure_Complexity	191
123237074	Undefined_Atom_Stereo_Count	1
687	Hydrogen_Bond_Donor_Count	5
677105	Mono_Isotopic_Weight	301.0175567
210301	Covalent_Unit_Count	2
9537	Hydrogen_Bond_Acceptor_Count	2
6917972	Structure_Complexity	71
63833	Undefined_Bond_Stereo_Count	0
13400	Undefined_Bond_Stereo_Count	0
700865	Isotope_Atom_Count	0
135434844	Total_Formal_Charge	0
1308	Undefined_Bond_Stereo_Count	0
39042	Structure_Complexity	452
16668	XLogP3	3.6
6427071	Molecular_Weight	194.27
124600	Covalent_Unit_Count	1
524667	Structure_Complexity	62.4
4590704	Non-hydrogen_Atom_Count	14
225147	Exact_Mass	116.083729621
58035420	Structure_Complexity	103
28500	Total_Formal_Charge	0
13019092	Non-hydrogen_Atom_Count	6
38849	Mono_Isotopic_Weight	417.10897236
6993466	TPSA	40.1
5561	Defined_Atom_Stereo_Count	0
23549397	Total_Formal_Charge	0
4011	XLogP3-AA	4.6
3047809	TPSA	101
135554980	Defined_Atom_Stereo_Count	0
47750	Undefined_Bond_Stereo_Count	0
90087	Undefined_Atom_Stereo_Count	0
121493662	Defined_Bond_Stereo_Count	1
6507267	Total_Formal_Charge	0
2733279	Hydrogen_Bond_Acceptor_Count	3
75548	Molecular_Weight	130.19
98174	Exact_Mass	263.131014166
54216748	Covalent_Unit_Count	1
143060	Rotatable_Bond_Count	1
129787588	Covalent_Unit_Count	1
156758105	Covalent_Unit_Count	1
11735949	Rotatable_Bond_Count	4
131750205	Exact_Mass	1103.80140071
72163100	Non-hydrogen_Atom_Count	43
190291	Undefined_Atom_Stereo_Count	0
3081362	Undefined_Atom_Stereo_Count	0
968688	Hydrogen_Bond_Donor_Count	0
23270355	Hydrogen_Bond_Donor_Count	1
163677749	TPSA	20.3
6328657	Isotope_Atom_Count	0
22507733	Undefined_Atom_Stereo_Count	0
4113	Covalent_Unit_Count	1
776461	Non-hydrogen_Atom_Count	12
123867984	Rotatable_Bond_Count	1
6338	Hydrogen_Bond_Donor_Count	0
5035	Total_Formal_Charge	0
84930	Molecular_Weight	202.25
11794741	Isotope_Atom_Count	0
5293	Defined_Atom_Stereo_Count	0
74791	Tautomer_Count	1
3878	Mono_Isotopic_Weight	255.0078506
52993227	Undefined_Atom_Stereo_Count	0
6048	Rotatable_Bond_Count	2
16211656	Exact_Mass	235.9804853
10199016	Isotope_Atom_Count	0
5702238	Hydrogen_Bond_Donor_Count	0
70681	Mono_Isotopic_Weight	277.2536278
44413	Tautomer_Count	1
135445749	TPSA	204
3052	Undefined_Bond_Stereo_Count	0
4712	Non-hydrogen_Atom_Count	27
11695008	Hydrogen_Bond_Acceptor_Count	1
12313776	Undefined_Bond_Stereo_Count	0
136382971	Covalent_Unit_Count	1
156617908	TPSA	190
37366	Undefined_Atom_Stereo_Count	0
9005	Rotatable_Bond_Count	3
84339	Covalent_Unit_Count	1
21615038	Hydrogen_Bond_Acceptor_Count	4
439263	TPSA	20.2
59279784	Undefined_Bond_Stereo_Count	0
6530	Total_Formal_Charge	0
27561	Defined_Bond_Stereo_Count	0
25102847	Hydrogen_Bond_Donor_Count	2
9013	Covalent_Unit_Count	1
12560725	Defined_Bond_Stereo_Count	0
572065	Covalent_Unit_Count	1
23532162	Hydrogen_Bond_Acceptor_Count	1
12702413	Covalent_Unit_Count	1
12223113	XLogP3-AA	2.8
104967	Mono_Isotopic_Weight	132.90545196
160866	Structure_Complexity	107
155894642	Undefined_Atom_Stereo_Count	0
129712078	Undefined_Atom_Stereo_Count	2
70407330	Covalent_Unit_Count	1
12651819	Non-hydrogen_Atom_Count	7
13597077	Non-hydrogen_Atom_Count	8
16683028	Tautomer_Count	1
79510	Mono_Isotopic_Weight	156.02834000
155560570	Total_Formal_Charge	0
146681110	Molecular_Weight	1022.2
40127	Tautomer_Count	3
39034	Non-hydrogen_Atom_Count	32
45380791	Defined_Atom_Stereo_Count	0
11254899	Defined_Atom_Stereo_Count	0
5367412	Mono_Isotopic_Weight	150.140850574
6618895	Undefined_Bond_Stereo_Count	0
22132384	Total_Formal_Charge	0
5479527	Exact_Mass	455.05694025
84130	Rotatable_Bond_Count	6
3715	Defined_Bond_Stereo_Count	0
79095	Rotatable_Bond_Count	1
520907	Isotope_Atom_Count	0
13382623	Exact_Mass	106.053098200
12734620	Exact_Mass	126.104465066
46227489	Hydrogen_Bond_Donor_Count	2
9806615	Hydrogen_Bond_Acceptor_Count	11
130589021	Undefined_Bond_Stereo_Count	0
136898365	Isotope_Atom_Count	1
5287969	Isotope_Atom_Count	0
7980	Defined_Bond_Stereo_Count	0
423792	Structure_Complexity	479
13349549	Isotope_Atom_Count	0
11267	Hydrogen_Bond_Donor_Count	3
9549179	Undefined_Atom_Stereo_Count	1
65974	Defined_Bond_Stereo_Count	0
154511	Total_Formal_Charge	0
51049607	Structure_Complexity	422
57392729	Undefined_Atom_Stereo_Count	0
80293	Mono_Isotopic_Weight	123.068413911
23629997	Exact_Mass	390.18042397
6918852	Hydrogen_Bond_Donor_Count	2
44629594	TPSA	98.3
208901	Defined_Bond_Stereo_Count	0
5113032	Molecular_Weight	248.71
6603149	Defined_Bond_Stereo_Count	0
4451	Non-hydrogen_Atom_Count	40
5795	Hydrogen_Bond_Donor_Count	2
11675388	Total_Formal_Charge	0
145946920	Hydrogen_Bond_Donor_Count	8
24014	Undefined_Bond_Stereo_Count	0
50901	Rotatable_Bond_Count	10
5463081	Tautomer_Count	1
68634	Non-hydrogen_Atom_Count	25
70443535	Non-hydrogen_Atom_Count	12
68547	Rotatable_Bond_Count	3
9878679	Exact_Mass	275.07284784
23279304	Mono_Isotopic_Weight	113.058911855
69437	Isotope_Atom_Count	0
13349550	Undefined_Bond_Stereo_Count	0
135801111	Isotope_Atom_Count	0
300166	Total_Formal_Charge	0
16685	Non-hydrogen_Atom_Count	17
24917008	Defined_Bond_Stereo_Count	0
968498	TPSA	77.5
5359464	Exact_Mass	204.97443
28424	Total_Formal_Charge	0
101019202	Hydrogen_Bond_Acceptor_Count	8
11654876	Mono_Isotopic_Weight	430.20049070
81141	XLogP3	2.2
10909522	Exact_Mass	111.068413911
17994637	Isotope_Atom_Count	0
37907	Defined_Bond_Stereo_Count	0
60196425	Defined_Bond_Stereo_Count	0
702695	Undefined_Bond_Stereo_Count	0
443967	Molecular_Weight	434.5
7472	Hydrogen_Bond_Donor_Count	1
18069	Defined_Bond_Stereo_Count	0
539077	Undefined_Bond_Stereo_Count	0
100957201	Isotope_Atom_Count	0
71674	XLogP3-AA	0.6
10204	XLogP3	3.3
46225290	Rotatable_Bond_Count	4
94215	Structure_Complexity	46.9
10909485	Structure_Complexity	66.3
3571582	Exact_Mass	206.00135954
3015798	Defined_Bond_Stereo_Count	0
22624610	Covalent_Unit_Count	1
14818493	Total_Formal_Charge	0
54556023	Hydrogen_Bond_Acceptor_Count	2
57403154	Structure_Complexity	416
6182	TPSA	38
71880	XLogP3-AA	2.6
5318156	Mono_Isotopic_Weight	534.17372639
77405	Hydrogen_Bond_Donor_Count	2
4886	TPSA	30.9
60196360	Mono_Isotopic_Weight	844.38573014
439186	Isotope_Atom_Count	0
81421	Structure_Complexity	318
67513158	Undefined_Atom_Stereo_Count	0
15439202	Undefined_Atom_Stereo_Count	2
86583	Hydrogen_Bond_Donor_Count	1
11539235	Undefined_Atom_Stereo_Count	1
11124	Non-hydrogen_Atom_Count	6
38521	Exact_Mass	213.147726857
123487779	Isotope_Atom_Count	0
20062226	Isotope_Atom_Count	0
44455117	Molecular_Weight	377.4
7985	Undefined_Bond_Stereo_Count	0
11399764	TPSA	139
160470	Hydrogen_Bond_Acceptor_Count	3
42602260	Non-hydrogen_Atom_Count	30
52393	Mono_Isotopic_Weight	339.1965069
11332430	Isotope_Atom_Count	0
6950353	Defined_Atom_Stereo_Count	1
87279974	Rotatable_Bond_Count	1
13555	Hydrogen_Bond_Acceptor_Count	0
56927690	Isotope_Atom_Count	0
129722587	Undefined_Atom_Stereo_Count	0
206311	Defined_Atom_Stereo_Count	2
18410493	Hydrogen_Bond_Acceptor_Count	1
89741632	Molecular_Weight	416.5
96356	Exact_Mass	219.9935200
135707781	TPSA	240
11375895	Undefined_Bond_Stereo_Count	0
16760577	Rotatable_Bond_Count	6
6273	Rotatable_Bond_Count	4
68492470	Total_Formal_Charge	0
57406717	Non-hydrogen_Atom_Count	33
201538	Mono_Isotopic_Weight	463.2489364
4658963	Hydrogen_Bond_Donor_Count	2
84647602	Hydrogen_Bond_Donor_Count	1
67849	Covalent_Unit_Count	1
10105	Defined_Atom_Stereo_Count	0
20561708	Mono_Isotopic_Weight	97.027611728
148676572	Exact_Mass	108.093900383
6540262	Hydrogen_Bond_Acceptor_Count	2
11159325	Hydrogen_Bond_Acceptor_Count	3
162743	Undefined_Bond_Stereo_Count	0
36933	Undefined_Atom_Stereo_Count	0
2546	Covalent_Unit_Count	1
68682	Molecular_Weight	552.6
3530398	XLogP3-AA	2.8
7647	Defined_Bond_Stereo_Count	0
446563	Mono_Isotopic_Weight	268.313001276
475320	Defined_Atom_Stereo_Count	2
4678317	Hydrogen_Bond_Acceptor_Count	1
20035332	Undefined_Atom_Stereo_Count	0
36982	Undefined_Atom_Stereo_Count	0
13214	Tautomer_Count	1
56841558	Isotope_Atom_Count	0
91857355	Covalent_Unit_Count	1
170327	TPSA	28.2
12201380	Hydrogen_Bond_Donor_Count	0
59859430	Defined_Bond_Stereo_Count	0
442021	Non-hydrogen_Atom_Count	29
12248	Covalent_Unit_Count	1
15148131	XLogP3-AA	0.6
20660672	Covalent_Unit_Count	1
5086	Exact_Mass	265.06851135
122081	Defined_Atom_Stereo_Count	0
20848	Mono_Isotopic_Weight	345.09945651
5288845	Mono_Isotopic_Weight	118.099379685
134825744	Defined_Bond_Stereo_Count	0
68321815	TPSA	77.2
226102	Undefined_Atom_Stereo_Count	0
66663660	Non-hydrogen_Atom_Count	7
12648409	Hydrogen_Bond_Donor_Count	1
5902	XLogP3-AA	3.9
123178351	Rotatable_Bond_Count	3
8434	Undefined_Bond_Stereo_Count	0
10931378	Undefined_Atom_Stereo_Count	1
76958	Rotatable_Bond_Count	19
312	Mono_Isotopic_Weight	34.9688527
904	Defined_Bond_Stereo_Count	0
55300028	Structure_Complexity	92.5
9835852	Covalent_Unit_Count	1
4109	Covalent_Unit_Count	1
164685	Hydrogen_Bond_Acceptor_Count	10
25114553	Structure_Complexity	665
129814671	Mono_Isotopic_Weight	137.03892530
92131820	Undefined_Bond_Stereo_Count	0
12536	Non-hydrogen_Atom_Count	30
11358	Hydrogen_Bond_Acceptor_Count	1
87187801	Molecular_Weight	112.17
921134	XLogP3-AA	4.9
12744661	Mono_Isotopic_Weight	83.048347172
82418987	Molecular_Weight	111.14
131443	Defined_Bond_Stereo_Count	0
66803155	Covalent_Unit_Count	1
11483754	TPSA	52.3
53319933	Exact_Mass	242.05138412
6604876	Covalent_Unit_Count	1
85864806	Total_Formal_Charge	0
142149539	Isotope_Atom_Count	0
90735699	Undefined_Bond_Stereo_Count	0
102032439	Rotatable_Bond_Count	2
11249084	Rotatable_Bond_Count	6
7249	Hydrogen_Bond_Acceptor_Count	1
5364328	Exact_Mass	79.042199164
14718277	Molecular_Weight	112.13
37686	Undefined_Bond_Stereo_Count	0
23668353	Covalent_Unit_Count	2
21953621	Total_Formal_Charge	0
66908	Covalent_Unit_Count	1
10931233	Isotope_Atom_Count	0
20504	Structure_Complexity	198
750	Undefined_Bond_Stereo_Count	0
9962	Molecular_Weight	154.26
93192	TPSA	49.3
7809	Hydrogen_Bond_Acceptor_Count	0
51671	Structure_Complexity	637
88318	Mono_Isotopic_Weight	87.104799419
3686723	XLogP3-AA	3.9
12791421	Non-hydrogen_Atom_Count	8
69244	Molecular_Weight	97.16
5282131	Undefined_Atom_Stereo_Count	0
17109	Tautomer_Count	1
60196344	Structure_Complexity	773
83433	Covalent_Unit_Count	1
19163	Undefined_Bond_Stereo_Count	0
21927801	Rotatable_Bond_Count	4
54283855	Defined_Bond_Stereo_Count	0
2800	Hydrogen_Bond_Donor_Count	0
57395977	Structure_Complexity	570
121489236	Defined_Bond_Stereo_Count	0
3052776	Exact_Mass	171.104799419
90754	Defined_Atom_Stereo_Count	0
15496999	Covalent_Unit_Count	1
133562634	Undefined_Atom_Stereo_Count	0
11977152	Exact_Mass	191.1845299
4442	Undefined_Bond_Stereo_Count	0
2783443	Rotatable_Bond_Count	0
124012131	TPSA	49.5
156618034	Molecular_Weight	342.30
12359612	Hydrogen_Bond_Acceptor_Count	1
24967621	Rotatable_Bond_Count	7
6956382	Covalent_Unit_Count	1
56955286	XLogP3-AA	3.7
8692	Defined_Bond_Stereo_Count	0
105746	Structure_Complexity	148
7211	Undefined_Atom_Stereo_Count	2
67233953	Exact_Mass	403.10676552
99014	Defined_Atom_Stereo_Count	0
914	Hydrogen_Bond_Acceptor_Count	3
154257	Total_Formal_Charge	0
94544	Covalent_Unit_Count	1
6344	Hydrogen_Bond_Acceptor_Count	0
60652	Structure_Complexity	380
11954	Defined_Bond_Stereo_Count	0
57602863	XLogP3-AA	1.1
3824	Covalent_Unit_Count	1
73648	Non-hydrogen_Atom_Count	28
34213	Molecular_Weight	346.8
23385063	TPSA	0
5282192	Total_Formal_Charge	0
124013	Defined_Atom_Stereo_Count	0
9884642	XLogP3	4.1
50901	Hydrogen_Bond_Acceptor_Count	4
13360	Molecular_Weight	130.14
59646	Defined_Atom_Stereo_Count	0
74195	Hydrogen_Bond_Acceptor_Count	0
67247849	Molecular_Weight	372.4
116119794	Covalent_Unit_Count	1
28532	Isotope_Atom_Count	0
99894	Defined_Bond_Stereo_Count	0
141360553	Undefined_Atom_Stereo_Count	2
12452564	Hydrogen_Bond_Acceptor_Count	1
115305	Hydrogen_Bond_Donor_Count	2
81396	Undefined_Bond_Stereo_Count	0
13000487	Undefined_Bond_Stereo_Count	0
6526	Defined_Atom_Stereo_Count	0
142299	Rotatable_Bond_Count	0
36687804	Undefined_Bond_Stereo_Count	0
16058629	Defined_Bond_Stereo_Count	0
15620607	Isotope_Atom_Count	0
527633	Exact_Mass	117.078978594
443366	XLogP3-AA	2.2
53386	Covalent_Unit_Count	1
57112474	Undefined_Atom_Stereo_Count	1
33176	TPSA	68.5
2434	Hydrogen_Bond_Acceptor_Count	14
69016240	Defined_Bond_Stereo_Count	0
24900751	Non-hydrogen_Atom_Count	35
5352133	Non-hydrogen_Atom_Count	13
60924	Undefined_Atom_Stereo_Count	0
70730	Defined_Atom_Stereo_Count	0
14283	Non-hydrogen_Atom_Count	9
54280	Total_Formal_Charge	0
71141	TPSA	279
4356	Rotatable_Bond_Count	10
71680685	Undefined_Atom_Stereo_Count	1
11783	Covalent_Unit_Count	1
16760265	Hydrogen_Bond_Donor_Count	3
10131132	Mono_Isotopic_Weight	247.0611356
5281065	Non-hydrogen_Atom_Count	60
16065391	Structure_Complexity	629
205954	TPSA	211
58054368	Total_Formal_Charge	0
71459864	Defined_Atom_Stereo_Count	8
140996483	Defined_Bond_Stereo_Count	0
129864896	Covalent_Unit_Count	1
3513	XLogP3-AA	2.7
160419	Rotatable_Bond_Count	1
5284558	Exact_Mass	588.18429107
3036746	Total_Formal_Charge	0
10387485	Molecular_Weight	422.2
21021478	Hydrogen_Bond_Donor_Count	1
5281915	Total_Formal_Charge	0
65646	Non-hydrogen_Atom_Count	32
3032281	Covalent_Unit_Count	1
12468302	Defined_Atom_Stereo_Count	0
20696068	Molecular_Weight	102.18
3052	Rotatable_Bond_Count	2
802301	Defined_Atom_Stereo_Count	0
130872	TPSA	165
11063855	Hydrogen_Bond_Donor_Count	2
91601	Rotatable_Bond_Count	12
79358	Structure_Complexity	186
9844	Defined_Atom_Stereo_Count	0
8271	Defined_Bond_Stereo_Count	0
724	Tautomer_Count	1
11970261	Defined_Bond_Stereo_Count	3
21703573	Defined_Atom_Stereo_Count	0
57410	TPSA	61.8
5384876	Total_Formal_Charge	0
257761	Hydrogen_Bond_Acceptor_Count	7
17613	Molecular_Weight	150.64
42301	Undefined_Bond_Stereo_Count	0
21719953	Undefined_Bond_Stereo_Count	0
10962	Rotatable_Bond_Count	2
9202	Undefined_Atom_Stereo_Count	0
11126361	Defined_Atom_Stereo_Count	2
84866	Undefined_Atom_Stereo_Count	0
84693	Covalent_Unit_Count	1
11416891	Non-hydrogen_Atom_Count	23
551491	Defined_Atom_Stereo_Count	0
84647611	Defined_Bond_Stereo_Count	0
6444203	Molecular_Weight	690.9
20382009	Exact_Mass	112.088815002
190291	Tautomer_Count	2
44560807	Total_Formal_Charge	0
68653619	Non-hydrogen_Atom_Count	17
77082	Mono_Isotopic_Weight	393.077760
10286834	Non-hydrogen_Atom_Count	25
14944610	Mono_Isotopic_Weight	120.078644241
25137911	TPSA	20.1
135565884	Defined_Atom_Stereo_Count	1
21885	XLogP3	1.6
11865407	Undefined_Bond_Stereo_Count	0
19041912	Total_Formal_Charge	0
138394156	Isotope_Atom_Count	0
700140	Undefined_Atom_Stereo_Count	0
3086400	Rotatable_Bond_Count	7
30951	Exact_Mass	226.0396719
204735	Structure_Complexity	103
548282	Covalent_Unit_Count	1
54518010	Covalent_Unit_Count	1
107656	Total_Formal_Charge	0
130589021	Rotatable_Bond_Count	2
62504	TPSA	49.8
78704	Covalent_Unit_Count	2
65590	Hydrogen_Bond_Donor_Count	0
32249	Total_Formal_Charge	0
10256440	Exact_Mass	530.17770440
24414	Molecular_Weight	233.39
637541	Isotope_Atom_Count	0
5595	Mono_Isotopic_Weight	284.152477885
44284481	Defined_Atom_Stereo_Count	23
86276476	Hydrogen_Bond_Acceptor_Count	13
637566	Non-hydrogen_Atom_Count	11
596091	Rotatable_Bond_Count	4
14025	Undefined_Atom_Stereo_Count	0
60198	Undefined_Atom_Stereo_Count	0
18314506	Undefined_Bond_Stereo_Count	0
9973	Isotope_Atom_Count	0
38235	Defined_Atom_Stereo_Count	0
9830	Mono_Isotopic_Weight	223.0011760
49866023	Defined_Atom_Stereo_Count	2
31492	Structure_Complexity	120
16007393	Tautomer_Count	34
22086042	Isotope_Atom_Count	0
69333884	Mono_Isotopic_Weight	107.048347172
13058233	Isotope_Atom_Count	0
4389	Rotatable_Bond_Count	4
151014	Covalent_Unit_Count	1
102601177	Undefined_Atom_Stereo_Count	1
146571	TPSA	111
13684981	Defined_Bond_Stereo_Count	0
100427	Total_Formal_Charge	0
156622209	Mono_Isotopic_Weight	98.048012819
6325610	Molecular_Weight	318.3
16073662	Undefined_Atom_Stereo_Count	0
53664307	Structure_Complexity	53.7
60904070	XLogP3-AA	1.2
95512	Undefined_Bond_Stereo_Count	0
3943	Hydrogen_Bond_Acceptor_Count	9
22524140	XLogP3-AA	4
704754	Mono_Isotopic_Weight	346.17802393
83679654	Hydrogen_Bond_Acceptor_Count	3
391974	Total_Formal_Charge	0
11232	Structure_Complexity	416
1896971	Exact_Mass	114.042927438
25256832	Exact_Mass	276.16985928
440946	Hydrogen_Bond_Donor_Count	11
54685920	Tautomer_Count	420
9811353	Exact_Mass	862.34118563
141603887	Undefined_Bond_Stereo_Count	0
162955687	Defined_Atom_Stereo_Count	10
13766702	TPSA	9.2
31903	Structure_Complexity	376
16213668	Non-hydrogen_Atom_Count	22
96462	Rotatable_Bond_Count	9
5663	Non-hydrogen_Atom_Count	29
69571381	Defined_Bond_Stereo_Count	0
1778	Rotatable_Bond_Count	14
53396299	Defined_Bond_Stereo_Count	0
70652	Covalent_Unit_Count	1
19859	Non-hydrogen_Atom_Count	9
263086	Covalent_Unit_Count	1
6116	Isotope_Atom_Count	0
5289547	Molecular_Weight	344.5
52945646	Rotatable_Bond_Count	5
124143	Total_Formal_Charge	0
54886	Hydrogen_Bond_Donor_Count	0
23091966	Defined_Atom_Stereo_Count	0
14454747	Isotope_Atom_Count	0
6887	XLogP3-AA	4.4
4622	Undefined_Bond_Stereo_Count	0
54169757	Hydrogen_Bond_Donor_Count	3
533427	Total_Formal_Charge	0
54443170	Mono_Isotopic_Weight	98.073164938
12639	XLogP3-AA	0.3
65979	TPSA	36.4
9935274	Defined_Bond_Stereo_Count	0
89402065	Exact_Mass	111.043261792
67277	Undefined_Atom_Stereo_Count	0
9833407	Isotope_Atom_Count	0
796857	Rotatable_Bond_Count	2
55515	Total_Formal_Charge	0
235905	Tautomer_Count	1
36689113	TPSA	114
10820489	Undefined_Atom_Stereo_Count	0
6994279	Molecular_Weight	106.12
135436537	Hydrogen_Bond_Acceptor_Count	9
11789342	Covalent_Unit_Count	1
24777	Tautomer_Count	1
6918473	Exact_Mass	1163.56062088
477	Rotatable_Bond_Count	8
54114	Isotope_Atom_Count	0
20378092	Total_Formal_Charge	0
140511	Defined_Atom_Stereo_Count	0
54338696	Structure_Complexity	162
42608159	Rotatable_Bond_Count	1
57549	Defined_Bond_Stereo_Count	0
54391876	Covalent_Unit_Count	1
444302	Hydrogen_Bond_Acceptor_Count	5
11979418	Defined_Atom_Stereo_Count	13
13561	Total_Formal_Charge	0
139085145	Molecular_Weight	296.29
447339	Defined_Atom_Stereo_Count	0
6432709	Total_Formal_Charge	0
12394844	Defined_Bond_Stereo_Count	0
73166146	Isotope_Atom_Count	0
25982	Hydrogen_Bond_Acceptor_Count	3
121749	Total_Formal_Charge	0
104902	Hydrogen_Bond_Donor_Count	1
439371	Undefined_Bond_Stereo_Count	0
15903	Hydrogen_Bond_Donor_Count	0
1150	Defined_Atom_Stereo_Count	0
71584053	Structure_Complexity	576
91936863	Total_Formal_Charge	0
67454	TPSA	0
28839	Undefined_Bond_Stereo_Count	0
18954572	Molecular_Weight	98.10
12228201	XLogP3-AA	0.2
107217	Undefined_Bond_Stereo_Count	0
27448	Defined_Atom_Stereo_Count	0
902	Defined_Bond_Stereo_Count	0
9839519	TPSA	55.8
3916	Covalent_Unit_Count	1
27991	Defined_Bond_Stereo_Count	0
51397976	Isotope_Atom_Count	0
47531	Total_Formal_Charge	0
10061	Hydrogen_Bond_Donor_Count	2
2724159	Exact_Mass	150.104465066
130000966	Rotatable_Bond_Count	1
44454986	Non-hydrogen_Atom_Count	27
9486	Undefined_Atom_Stereo_Count	0
89790337	Undefined_Atom_Stereo_Count	2
25904	Covalent_Unit_Count	1
2807	Rotatable_Bond_Count	10
443376	Molecular_Weight	1101.3
21447199	Structure_Complexity	66.5
53998308	Undefined_Atom_Stereo_Count	0
59059038	Defined_Bond_Stereo_Count	0
131430882	Covalent_Unit_Count	1
129876172	Undefined_Atom_Stereo_Count	0
699571	Non-hydrogen_Atom_Count	17
5702293	Defined_Atom_Stereo_Count	0
70691395	Rotatable_Bond_Count	4
2723699	Tautomer_Count	2
57445155	Exact_Mass	102.068079557
19371515	Defined_Atom_Stereo_Count	0
6710664	Undefined_Bond_Stereo_Count	0
90547	Covalent_Unit_Count	2
29809	Non-hydrogen_Atom_Count	25
74320	Molecular_Weight	412.95
153373905	Hydrogen_Bond_Acceptor_Count	1
133057415	Defined_Atom_Stereo_Count	0
6473767	Hydrogen_Bond_Acceptor_Count	13
79783	XLogP3-AA	1.8
22654	TPSA	58.5
16129778	Molecular_Weight	1701.2
11749858	Exact_Mass	397.16377084
12219387	Mono_Isotopic_Weight	76.0313001276
89239	Non-hydrogen_Atom_Count	8
6446980	Rotatable_Bond_Count	1
1688	Rotatable_Bond_Count	1
12431566	TPSA	20.2
21911205	Undefined_Atom_Stereo_Count	1
53850432	Undefined_Atom_Stereo_Count	0
76658	Isotope_Atom_Count	0
12102501	Molecular_Weight	112.13
46926362	Exact_Mass	335.12454663
607248	Structure_Complexity	161
11684817	Rotatable_Bond_Count	12
12066	Undefined_Bond_Stereo_Count	0
71414	Total_Formal_Charge	0
71206	Isotope_Atom_Count	0
117569443	Total_Formal_Charge	0
21696506	Exact_Mass	109.03884512
6408	TPSA	0
86240135	Rotatable_Bond_Count	1
41881	Undefined_Atom_Stereo_Count	0
75444	Undefined_Bond_Stereo_Count	0
23283113	Covalent_Unit_Count	1
86305	Covalent_Unit_Count	1
11769408	Exact_Mass	195.125928785
9809002	Molecular_Weight	608.6
13573329	Total_Formal_Charge	0
3578945	Exact_Mass	140.9510097
15808	Non-hydrogen_Atom_Count	15
228006	Molecular_Weight	195.05
82593532	Rotatable_Bond_Count	1
101670359	Undefined_Bond_Stereo_Count	0
62802	Undefined_Atom_Stereo_Count	0
23216963	Rotatable_Bond_Count	2
97865	Non-hydrogen_Atom_Count	26
61032	TPSA	33
117265544	Covalent_Unit_Count	1
13577	Hydrogen_Bond_Acceptor_Count	1
6450531	Undefined_Atom_Stereo_Count	0
8033	Rotatable_Bond_Count	3
20695	Covalent_Unit_Count	1
4040	Molecular_Weight	135.19
90441318	Covalent_Unit_Count	1
15710945	Undefined_Bond_Stereo_Count	0
32468	TPSA	89.8
10126799	Rotatable_Bond_Count	5
547785	Hydrogen_Bond_Donor_Count	3
66063	Hydrogen_Bond_Acceptor_Count	2
56340	Non-hydrogen_Atom_Count	20
21534	Non-hydrogen_Atom_Count	6
24858870	XLogP3-AA	3.7
25015694	Undefined_Bond_Stereo_Count	0
53563	Hydrogen_Bond_Acceptor_Count	4
11030720	TPSA	63.6
2000	XLogP3	0.6
3036931	Isotope_Atom_Count	0
13485	Defined_Atom_Stereo_Count	0
31072	Covalent_Unit_Count	1
23653584	Exact_Mass	489.1255830
541661	XLogP3-AA	1.1
2733928	Covalent_Unit_Count	2
13000487	Defined_Atom_Stereo_Count	0
60195813	Structure_Complexity	434
137701808	Covalent_Unit_Count	1
134738658	Non-hydrogen_Atom_Count	29
9803119	Undefined_Bond_Stereo_Count	0
11477651	Isotope_Atom_Count	0
5175	TPSA	54.6
19754954	Mono_Isotopic_Weight	100.100048391
16049374	Exact_Mass	481.1260618
40637217	Isotope_Atom_Count	0
9548659	Defined_Atom_Stereo_Count	0
101926676	Molecular_Weight	332.31
54493752	XLogP3-AA	1.1
54676539	Undefined_Bond_Stereo_Count	0
80283	Non-hydrogen_Atom_Count	7
85939	Defined_Bond_Stereo_Count	0
14145	TPSA	74.3
834562	Hydrogen_Bond_Donor_Count	1
11254	Mono_Isotopic_Weight	86.036779430
56846240	Undefined_Bond_Stereo_Count	0
15595455	Rotatable_Bond_Count	0
75310475	Defined_Bond_Stereo_Count	0
58098237	Defined_Bond_Stereo_Count	0
53775252	Covalent_Unit_Count	1
1100	Rotatable_Bond_Count	0
2734898	Hydrogen_Bond_Acceptor_Count	3
78160	Defined_Bond_Stereo_Count	0
192154	Total_Formal_Charge	0
19027815	Hydrogen_Bond_Acceptor_Count	0
15657508	Undefined_Bond_Stereo_Count	0
3014295	TPSA	56.7
136253316	TPSA	190
71306319	TPSA	452
121587	Hydrogen_Bond_Acceptor_Count	4
77117	Rotatable_Bond_Count	4
15951487	Non-hydrogen_Atom_Count	28
137572	Defined_Bond_Stereo_Count	0
62425	Hydrogen_Bond_Donor_Count	0
18004304	Mono_Isotopic_Weight	105.078978594
25271884	Undefined_Atom_Stereo_Count	0
5362736	Isotope_Atom_Count	0
57395974	Undefined_Bond_Stereo_Count	0
11583971	Undefined_Bond_Stereo_Count	0
21284699	Hydrogen_Bond_Acceptor_Count	2
35703	Molecular_Weight	190.19
324379	XLogP3-AA	1.2
82505	Defined_Bond_Stereo_Count	0
70686373	Hydrogen_Bond_Donor_Count	2
12242810	Defined_Atom_Stereo_Count	3
71808	Rotatable_Bond_Count	1
5281894	Mono_Isotopic_Weight	238.062994177
11111	Exact_Mass	307.06267708
925739	Hydrogen_Bond_Acceptor_Count	4
6538996	Hydrogen_Bond_Acceptor_Count	7
85979	Defined_Bond_Stereo_Count	0
41022	Undefined_Atom_Stereo_Count	1
12855	Defined_Bond_Stereo_Count	0
74879	Structure_Complexity	224
121893	Rotatable_Bond_Count	8
129627812	Defined_Bond_Stereo_Count	0
9872438	Hydrogen_Bond_Acceptor_Count	9
1	Covalent_Unit_Count	1
16551	Exact_Mass	154.0316058
129010089	Defined_Atom_Stereo_Count	15
20587905	Covalent_Unit_Count	2
84921	TPSA	20.3
8901	Mono_Isotopic_Weight	96.057514874
54680675	TPSA	188
15034633	Defined_Atom_Stereo_Count	0
7	Total_Formal_Charge	0
14841958	Defined_Bond_Stereo_Count	0
131845588	Defined_Atom_Stereo_Count	0
4215	Rotatable_Bond_Count	23
74229	Defined_Atom_Stereo_Count	0
123239	TPSA	44.4
66751	Rotatable_Bond_Count	9
70191	Exact_Mass	123.03539970
56949517	Undefined_Bond_Stereo_Count	0
9548590	Hydrogen_Bond_Acceptor_Count	4
176453	Hydrogen_Bond_Acceptor_Count	4
135410917	Defined_Atom_Stereo_Count	0
7915	XLogP3-AA	0.9
44563117	Defined_Bond_Stereo_Count	0
22639586	Isotope_Atom_Count	0
124316	Undefined_Atom_Stereo_Count	0
5284656	Non-hydrogen_Atom_Count	13
616236	XLogP3-AA	2.3
5284614	Tautomer_Count	1
352114	Defined_Atom_Stereo_Count	0
5462507	Non-hydrogen_Atom_Count	24
43984	Non-hydrogen_Atom_Count	27
2531445	Hydrogen_Bond_Acceptor_Count	6
117846599	Hydrogen_Bond_Acceptor_Count	11
446201	Non-hydrogen_Atom_Count	49
133562634	Isotope_Atom_Count	0
11545958	XLogP3-AA	3.1
58618968	Total_Formal_Charge	0
69334516	Covalent_Unit_Count	1
44521024	Non-hydrogen_Atom_Count	34
519207	Exact_Mass	283.157228913
11953	Defined_Bond_Stereo_Count	0
5289419	Defined_Atom_Stereo_Count	0
11101	Total_Formal_Charge	0
9828911	Structure_Complexity	904
58181522	Hydrogen_Bond_Donor_Count	2
90127741	Undefined_Bond_Stereo_Count	0
50993881	Molecular_Weight	433.9
36688115	Molecular_Weight	325.5
70695640	TPSA	0
87825887	Hydrogen_Bond_Donor_Count	0
12965	Defined_Bond_Stereo_Count	0
3081743	Total_Formal_Charge	0
56954881	Isotope_Atom_Count	0
23279312	Undefined_Bond_Stereo_Count	0
23688987	Tautomer_Count	1
48011	Exact_Mass	598.2266172
12634652	Molecular_Weight	80.13
166918	TPSA	6
5283335	Non-hydrogen_Atom_Count	10
44558883	Exact_Mass	1078.42704051
54309225	Covalent_Unit_Count	1
11751490	Defined_Atom_Stereo_Count	1
150994	Structure_Complexity	183
12082259	Total_Formal_Charge	0
5311051	Hydrogen_Bond_Acceptor_Count	5
73553918	XLogP3-AA	2.4
10820486	Molecular_Weight	110.11
216287	Rotatable_Bond_Count	3
16638	Total_Formal_Charge	0
19657	Exact_Mass	216.00100232
163628725	Undefined_Bond_Stereo_Count	0
445694	Hydrogen_Bond_Acceptor_Count	2
4011971	Hydrogen_Bond_Donor_Count	1
7566539	Isotope_Atom_Count	0
71308731	Hydrogen_Bond_Donor_Count	2
315394	Undefined_Bond_Stereo_Count	1
631468	Undefined_Atom_Stereo_Count	0
66663	Covalent_Unit_Count	1
5746387	Isotope_Atom_Count	0
10027816	Undefined_Atom_Stereo_Count	1
69190	Non-hydrogen_Atom_Count	12
73680	Mono_Isotopic_Weight	669.06554367
439192	Isotope_Atom_Count	0
16211171	Hydrogen_Bond_Acceptor_Count	4
1740	Molecular_Weight	187.08
737375	Defined_Atom_Stereo_Count	0
32184	Defined_Atom_Stereo_Count	0
9796154	Mono_Isotopic_Weight	294.19434270
2105	Exact_Mass	189.07495584
14184222	Covalent_Unit_Count	1
440175	Total_Formal_Charge	0
89159	Undefined_Bond_Stereo_Count	0
11292963	XLogP3-AA	5.1
6070	Hydrogen_Bond_Acceptor_Count	3
10442251	Structure_Complexity	214
4896	Undefined_Bond_Stereo_Count	0
519161	Total_Formal_Charge	0
57392610	Undefined_Atom_Stereo_Count	0
54167752	Covalent_Unit_Count	1
7951	Structure_Complexity	82.9
69657	Total_Formal_Charge	0
3081938	Non-hydrogen_Atom_Count	16
130471	XLogP3-AA	1.1
5282822	Non-hydrogen_Atom_Count	20
10478142	XLogP3-AA	2.9
8843	Mono_Isotopic_Weight	152.120115130
90479276	Undefined_Atom_Stereo_Count	2
25272039	Covalent_Unit_Count	1
129600765	Rotatable_Bond_Count	4
1396	Undefined_Bond_Stereo_Count	0
53993017	Defined_Bond_Stereo_Count	0
71316127	Covalent_Unit_Count	1
33478	Rotatable_Bond_Count	9
71740	Non-hydrogen_Atom_Count	26
65050	Rotatable_Bond_Count	2
58044790	Exact_Mass	108.068748264
6160	Rotatable_Bond_Count	5
115087054	Total_Formal_Charge	0
15482943	XLogP3-AA	1.1
57392872	Rotatable_Bond_Count	6
13163973	Rotatable_Bond_Count	1
62512	TPSA	40.5
38878	Undefined_Bond_Stereo_Count	0
1463	Isotope_Atom_Count	0
5335	Non-hydrogen_Atom_Count	22
3854	Hydrogen_Bond_Donor_Count	3
127150	TPSA	103
77050711	Hydrogen_Bond_Acceptor_Count	13
162343997	Defined_Atom_Stereo_Count	0
24843	Mono_Isotopic_Weight	246.0107241
13140652	Undefined_Bond_Stereo_Count	0
168131	Total_Formal_Charge	1
3521	Total_Formal_Charge	0
54886	Hydrogen_Bond_Acceptor_Count	7
58714	Exact_Mass	197.116426730
123452974	XLogP3-AA	1.2
5501	Rotatable_Bond_Count	4
5352982	Molecular_Weight	254.41
2713	XLogP3	0.1
40146	Non-hydrogen_Atom_Count	18
543014	Defined_Atom_Stereo_Count	0
6604866	XLogP3	2.7
1585857	Undefined_Atom_Stereo_Count	0
87485	Hydrogen_Bond_Acceptor_Count	3
5946	Tautomer_Count	1
70811	Undefined_Bond_Stereo_Count	0
2963	Rotatable_Bond_Count	1
121755	Undefined_Bond_Stereo_Count	0
23620992	TPSA	417
30190	Defined_Atom_Stereo_Count	0
3081	Defined_Atom_Stereo_Count	0
2770166	TPSA	82.5
12927947	Covalent_Unit_Count	1
26139	Defined_Atom_Stereo_Count	0
9885355	Undefined_Atom_Stereo_Count	0
20	Exact_Mass	182.05790880
10974	Structure_Complexity	75.8
10350317	Mono_Isotopic_Weight	785.59345564
150679	Isotope_Atom_Count	0
42608371	Molecular_Weight	287.44
13382	Undefined_Bond_Stereo_Count	0
9259	Exact_Mass	80.037448136
72022	Defined_Bond_Stereo_Count	0
46470	Exact_Mass	325.1808568
31233	Covalent_Unit_Count	1
160556	Defined_Bond_Stereo_Count	0
9955836	XLogP3-AA	0.7
137274216	TPSA	257
26975	Exact_Mass	164.120115130
20387223	Hydrogen_Bond_Acceptor_Count	1
63397	Undefined_Bond_Stereo_Count	0
8205	Rotatable_Bond_Count	12
16134956	Exact_Mass	3749.9498161
144531850	Mono_Isotopic_Weight	109.063997236
14598502	Isotope_Atom_Count	0
12256	Hydrogen_Bond_Acceptor_Count	1
52943333	Isotope_Atom_Count	0
102426	Non-hydrogen_Atom_Count	20
22608833	Exact_Mass	114.9955546
37142	Tautomer_Count	1
719018	Covalent_Unit_Count	1
6163	Molecular_Weight	154.19
5148195	Non-hydrogen_Atom_Count	12
49857317	Undefined_Atom_Stereo_Count	0
6715	Rotatable_Bond_Count	1
35492	Isotope_Atom_Count	0
5205	TPSA	3.2
129628370	Rotatable_Bond_Count	0
752860	XLogP3-AA	3.9
76949	Hydrogen_Bond_Acceptor_Count	3
37270	Mono_Isotopic_Weight	421.779623
54707177	Structure_Complexity	1230
87359450	Isotope_Atom_Count	0
79177995	Hydrogen_Bond_Acceptor_Count	2
22836	Mono_Isotopic_Weight	368.2019266
21910271	Hydrogen_Bond_Acceptor_Count	6
163468867	Mono_Isotopic_Weight	114.068079557
36821	Hydrogen_Bond_Donor_Count	0
138125	Undefined_Bond_Stereo_Count	0
7428	Undefined_Atom_Stereo_Count	0
34170	Exact_Mass	150.068079557
32241	Hydrogen_Bond_Acceptor_Count	0
6328035	Isotope_Atom_Count	0
688563	Hydrogen_Bond_Acceptor_Count	4
170813	Rotatable_Bond_Count	6
11194	Structure_Complexity	49.2
20872204	TPSA	51.6
11712649	Total_Formal_Charge	0
137699054	Covalent_Unit_Count	1
23677676	Defined_Atom_Stereo_Count	0
60196374	Hydrogen_Bond_Acceptor_Count	2
7491	Mono_Isotopic_Weight	166.074227566
46195832	Exact_Mass	752.1575354
23736	Defined_Bond_Stereo_Count	0
38013	Rotatable_Bond_Count	1
76355	Exact_Mass	114.068079557
45085029	Undefined_Atom_Stereo_Count	1
71544786	Total_Formal_Charge	0
349711	Rotatable_Bond_Count	1
23684339	Tautomer_Count	1
56949517	Structure_Complexity	643
55278707	Non-hydrogen_Atom_Count	7
27665	TPSA	12.9
11833	Defined_Atom_Stereo_Count	0
47640	Defined_Bond_Stereo_Count	0
135415868	Molecular_Weight	459.5
6919051	Defined_Atom_Stereo_Count	0
21614503	Isotope_Atom_Count	0
92588	Isotope_Atom_Count	0
91945062	Covalent_Unit_Count	1
71622385	Defined_Atom_Stereo_Count	0
17819	Covalent_Unit_Count	1
694146	Rotatable_Bond_Count	1
21675991	Hydrogen_Bond_Donor_Count	0
446378	Tautomer_Count	1
57445155	Total_Formal_Charge	0
52987646	Mono_Isotopic_Weight	432.3204190
16663248	Total_Formal_Charge	0
55182	Covalent_Unit_Count	3
70542877	Molecular_Weight	97.08
158815	Molecular_Weight	165.23
1024	Tautomer_Count	9
18974460	Exact_Mass	115.026943022
439255	Molecular_Weight	152.15
76040	Hydrogen_Bond_Acceptor_Count	12
60199965	Defined_Atom_Stereo_Count	2
12425839	Structure_Complexity	402
35047	Defined_Atom_Stereo_Count	0
9853710	Tautomer_Count	24
51755	Tautomer_Count	1
13810450	Rotatable_Bond_Count	0
49427	Non-hydrogen_Atom_Count	22
25244017	Defined_Bond_Stereo_Count	0
44353367	Structure_Complexity	506
72734520	Undefined_Bond_Stereo_Count	0
7638	Rotatable_Bond_Count	3
11140632	Total_Formal_Charge	0
9394	Non-hydrogen_Atom_Count	40
16134490	XLogP3-AA	4.5
23672293	Non-hydrogen_Atom_Count	12
57399651	Hydrogen_Bond_Acceptor_Count	6
11137427	Defined_Bond_Stereo_Count	0
46899922	Rotatable_Bond_Count	5
23533634	Hydrogen_Bond_Donor_Count	1
137580	Rotatable_Bond_Count	1
10197643	Hydrogen_Bond_Donor_Count	2
12546246	Hydrogen_Bond_Donor_Count	0
410914	XLogP3-AA	3.5
66598080	Isotope_Atom_Count	0
82593562	Structure_Complexity	78.4
36688117	Undefined_Bond_Stereo_Count	0
61029	Defined_Bond_Stereo_Count	0
72566	Tautomer_Count	1
4775	Defined_Bond_Stereo_Count	0
105130	Tautomer_Count	1
25010775	Hydrogen_Bond_Donor_Count	3
137212229	Exact_Mass	87.043261792
1698	Undefined_Bond_Stereo_Count	0
22486676	Non-hydrogen_Atom_Count	6
2468	Exact_Mass	157.13274550
24181110	Tautomer_Count	2
72016	Mono_Isotopic_Weight	216.126263138
6097177	Mono_Isotopic_Weight	313.8723432
71737801	Isotope_Atom_Count	0
13908	Defined_Bond_Stereo_Count	0
20216100	Structure_Complexity	76.2
319715	Mono_Isotopic_Weight	239.07937252
8546	Non-hydrogen_Atom_Count	29
15184871	Exact_Mass	82.053098200
8229	Undefined_Bond_Stereo_Count	0
12245073	Undefined_Bond_Stereo_Count	0
3722	Total_Formal_Charge	0
14338	Hydrogen_Bond_Donor_Count	0
43006	TPSA	89.7
39624	Hydrogen_Bond_Acceptor_Count	3
19738468	Exact_Mass	114.068079557
13285795	Mono_Isotopic_Weight	85.052763847
79875564	Molecular_Weight	97.16
825229	Isotope_Atom_Count	0
87639	Structure_Complexity	292
53957140	Defined_Bond_Stereo_Count	0
3752	Mono_Isotopic_Weight	255.0078506
24648	Defined_Atom_Stereo_Count	0
12386566	Non-hydrogen_Atom_Count	20
133886	Tautomer_Count	7
119036	Structure_Complexity	99.3
449459	TPSA	32.7
72551585	Undefined_Bond_Stereo_Count	0
6450806	TPSA	69.5
10290812	Covalent_Unit_Count	1
63002	Non-hydrogen_Atom_Count	38
20060494	Molecular_Weight	100.16
123173	Defined_Atom_Stereo_Count	0
70637	Non-hydrogen_Atom_Count	12
54685141	Total_Formal_Charge	0
61583	XLogP3-AA	2.5
57501504	Hydrogen_Bond_Acceptor_Count	14
27461	Hydrogen_Bond_Acceptor_Count	10
1899	Covalent_Unit_Count	1
11507658	TPSA	64.6
12190	Mono_Isotopic_Weight	120.078644241
14709	Defined_Bond_Stereo_Count	0
441336	XLogP3	3.9
3510	Structure_Complexity	442
441350	Undefined_Bond_Stereo_Count	0
643774	Hydrogen_Bond_Acceptor_Count	1
5281517	Non-hydrogen_Atom_Count	15
138611145	Defined_Bond_Stereo_Count	0
73902	Undefined_Atom_Stereo_Count	0
122198135	Defined_Bond_Stereo_Count	0
34328	Undefined_Atom_Stereo_Count	0
604519	Tautomer_Count	2
117721	Hydrogen_Bond_Donor_Count	0
48640	Defined_Bond_Stereo_Count	0
119607	Exact_Mass	314.07251349
28615	Total_Formal_Charge	0
314787	Undefined_Atom_Stereo_Count	0
131876601	Molecular_Weight	843.1
12341793	Total_Formal_Charge	0
24883429	Undefined_Atom_Stereo_Count	0
1382059	Undefined_Bond_Stereo_Count	0
22612	Hydrogen_Bond_Donor_Count	2
162569	Defined_Bond_Stereo_Count	0
4008	XLogP3	5.6
6618	Exact_Mass	543.75298
9823	Undefined_Atom_Stereo_Count	0
34303	Exact_Mass	234.198365449
2734162	Defined_Bond_Stereo_Count	0
348256	Hydrogen_Bond_Donor_Count	0
135405908	TPSA	98.2
135413545	Covalent_Unit_Count	5
5361919	Defined_Bond_Stereo_Count	1
21805653	Structure_Complexity	72.9
4054	Structure_Complexity	240
69442897	Total_Formal_Charge	0
94972	Total_Formal_Charge	0
135489810	Non-hydrogen_Atom_Count	8
68843	Hydrogen_Bond_Donor_Count	1
12668	Undefined_Bond_Stereo_Count	3
2719	Hydrogen_Bond_Acceptor_Count	3
9901	Isotope_Atom_Count	0
23496510	Covalent_Unit_Count	1
60712	Hydrogen_Bond_Donor_Count	2
42512	Rotatable_Bond_Count	7
448601	Defined_Bond_Stereo_Count	0
18002315	Non-hydrogen_Atom_Count	8
22273998	Exact_Mass	99.043261792
49862768	XLogP3-AA	4.7
566685	Total_Formal_Charge	0
6917976	Molecular_Weight	1079.3
91003779	XLogP3-AA	1.1
8639	Undefined_Atom_Stereo_Count	0
104677	Total_Formal_Charge	0
5284517	Isotope_Atom_Count	0
11979606	Hydrogen_Bond_Acceptor_Count	14
138403272	Mono_Isotopic_Weight	925.50349992
20281045	Undefined_Bond_Stereo_Count	0
722	Molecular_Weight	194.14
263077	TPSA	25.3
49855683	Undefined_Atom_Stereo_Count	0
1701	Molecular_Weight	203.24
123309341	Rotatable_Bond_Count	0
123969926	Undefined_Bond_Stereo_Count	0
165157	Defined_Atom_Stereo_Count	12
57401194	Molecular_Weight	420.6
1720	Hydrogen_Bond_Acceptor_Count	3
11154711	Exact_Mass	432.08136409
16421	Rotatable_Bond_Count	5
13932052	Isotope_Atom_Count	0
1249	Defined_Atom_Stereo_Count	0
91259187	TPSA	0
1356	Hydrogen_Bond_Donor_Count	5
136585	Covalent_Unit_Count	1
451674	Rotatable_Bond_Count	4
9800339	Undefined_Atom_Stereo_Count	1
90489753	Non-hydrogen_Atom_Count	47
88977	Exact_Mass	324.314063904
88093948	Exact_Mass	416.32904526
359231	TPSA	20.2
12550422	Non-hydrogen_Atom_Count	8
9340	Defined_Bond_Stereo_Count	0
13086	Defined_Atom_Stereo_Count	0
44620953	Defined_Atom_Stereo_Count	20
404289	Undefined_Bond_Stereo_Count	0
16218740	Total_Formal_Charge	1
152743428	Undefined_Atom_Stereo_Count	0
12746	Hydrogen_Bond_Donor_Count	0
1241301	Exact_Mass	196.9371984
70260	Isotope_Atom_Count	0
15448	Undefined_Atom_Stereo_Count	1
94357	Tautomer_Count	1
68629	Exact_Mass	266.0644474
8283	Mono_Isotopic_Weight	220.182715385
10263	Hydrogen_Bond_Donor_Count	0
22125	Isotope_Atom_Count	0
145454	Structure_Complexity	381
23666342	Tautomer_Count	1
29921593	Undefined_Atom_Stereo_Count	0
448167	Non-hydrogen_Atom_Count	23
70884982	Mono_Isotopic_Weight	342.11621151
18599	Isotope_Atom_Count	0
72196	Undefined_Bond_Stereo_Count	0
18718236	Undefined_Bond_Stereo_Count	0
27236	Defined_Bond_Stereo_Count	0
556684	Hydrogen_Bond_Acceptor_Count	3
5362451	Defined_Bond_Stereo_Count	0
7707	Total_Formal_Charge	0
115225	TPSA	32.3
12023	Isotope_Atom_Count	0
9939865	Non-hydrogen_Atom_Count	34
431097	Undefined_Atom_Stereo_Count	2
90853172	Mono_Isotopic_Weight	112.125200510
101497	Total_Formal_Charge	0
25181471	Total_Formal_Charge	0
5944	TPSA	52.6
90487065	Molecular_Weight	112.13
114853	Covalent_Unit_Count	1
18495	Defined_Bond_Stereo_Count	0
72165188	Defined_Bond_Stereo_Count	0
5478936	Total_Formal_Charge	0
4130	Undefined_Atom_Stereo_Count	0
15561472	Covalent_Unit_Count	1
123070	Mono_Isotopic_Weight	20.0564071114
139194519	Non-hydrogen_Atom_Count	32
21969	Structure_Complexity	230
8509	Undefined_Atom_Stereo_Count	0
10239769	Rotatable_Bond_Count	14
359784	Undefined_Bond_Stereo_Count	0
43457	Undefined_Atom_Stereo_Count	0
9837419	Molecular_Weight	223.58
2415	Structure_Complexity	618
129627802	Isotope_Atom_Count	0
41881	Rotatable_Bond_Count	11
10887853	Defined_Bond_Stereo_Count	0
5282545	Isotope_Atom_Count	0
59983745	Hydrogen_Bond_Acceptor_Count	1
9920369	Hydrogen_Bond_Acceptor_Count	2
15558051	Undefined_Atom_Stereo_Count	0
67406	Undefined_Atom_Stereo_Count	0
44521024	Defined_Bond_Stereo_Count	0
86578	Hydrogen_Bond_Donor_Count	2
86054107	XLogP3-AA	4.5
16241	Total_Formal_Charge	0
9933197	Defined_Atom_Stereo_Count	0
9543528	Exact_Mass	160.09218630
21637412	Non-hydrogen_Atom_Count	30
101237041	Hydrogen_Bond_Donor_Count	4
21161643	Isotope_Atom_Count	0
13879722	Exact_Mass	102.031694049
14140995	Rotatable_Bond_Count	0
56665391	Defined_Atom_Stereo_Count	0
15690647	Undefined_Atom_Stereo_Count	0
78099560	Exact_Mass	462.1686514
13198341	Hydrogen_Bond_Acceptor_Count	3
54516038	Non-hydrogen_Atom_Count	8
22154890	XLogP3-AA	2.3
136891	Hydrogen_Bond_Acceptor_Count	1
54886	TPSA	93.6
22608833	Hydrogen_Bond_Donor_Count	1
31343	Undefined_Atom_Stereo_Count	1
13218140	Defined_Atom_Stereo_Count	0
11225217	Molecular_Weight	472.0
7409	XLogP3	1.4
3110	Undefined_Atom_Stereo_Count	0
56668950	Non-hydrogen_Atom_Count	38
3715	Tautomer_Count	5
163432987	Isotope_Atom_Count	0
65492	Defined_Atom_Stereo_Count	1
25058173	Total_Formal_Charge	0
140898864	Defined_Atom_Stereo_Count	0
126992483	Total_Formal_Charge	0
3736	Non-hydrogen_Atom_Count	32
60196335	Covalent_Unit_Count	2
60569	Covalent_Unit_Count	2
1301	Undefined_Bond_Stereo_Count	0
4921	Rotatable_Bond_Count	23
3482402	Covalent_Unit_Count	1
274412	Undefined_Atom_Stereo_Count	0
9917	Tautomer_Count	1
141758021	Undefined_Atom_Stereo_Count	0
3683	XLogP3-AA	1.9
166144333	Defined_Bond_Stereo_Count	0
40302	Hydrogen_Bond_Acceptor_Count	3
39538	Defined_Atom_Stereo_Count	0
14417887	Total_Formal_Charge	0
10271	Non-hydrogen_Atom_Count	16
15308711	Isotope_Atom_Count	0
10903	Defined_Bond_Stereo_Count	0
166775	Mono_Isotopic_Weight	666.22185834
74867	Non-hydrogen_Atom_Count	17
54272	Non-hydrogen_Atom_Count	23
135398559	Hydrogen_Bond_Acceptor_Count	10
356101	Covalent_Unit_Count	1
242493	Mono_Isotopic_Weight	306.255880323
90485	Rotatable_Bond_Count	5
13085350	Isotope_Atom_Count	0
66733	Exact_Mass	217.05613515
222786	Tautomer_Count	45
3580	Undefined_Bond_Stereo_Count	6
135398514	Undefined_Bond_Stereo_Count	0
5139	Defined_Bond_Stereo_Count	0
83023	Molecular_Weight	433.46
11648276	Mono_Isotopic_Weight	460.15109573
14724482	TPSA	552
15897928	Total_Formal_Charge	0
2212	Rotatable_Bond_Count	11
93101	Tautomer_Count	1
101015849	Exact_Mass	182.07009777
150718	Defined_Atom_Stereo_Count	0
13245	Non-hydrogen_Atom_Count	13
23235	Tautomer_Count	1
3035905	Defined_Bond_Stereo_Count	0
9963148	Mono_Isotopic_Weight	987.34845584
9855476	Structure_Complexity	154
24848330	Total_Formal_Charge	1
15221251	Hydrogen_Bond_Acceptor_Count	7
77445309	Hydrogen_Bond_Donor_Count	1
13443454	Undefined_Bond_Stereo_Count	0
16115747	Undefined_Atom_Stereo_Count	0
70390	Exact_Mass	226.110613074
107681	Hydrogen_Bond_Acceptor_Count	8
46205408	TPSA	199
4800713	Undefined_Atom_Stereo_Count	0
2771758	Mono_Isotopic_Weight	162.042927438
94753	Mono_Isotopic_Weight	149.07014524
57286318	Structure_Complexity	141
398627	Undefined_Bond_Stereo_Count	0
58173	Defined_Bond_Stereo_Count	0
136470	TPSA	0
154214	Rotatable_Bond_Count	4
10373	Molecular_Weight	247.33
49798507	Defined_Atom_Stereo_Count	0
15981450	Isotope_Atom_Count	0
87063833	Isotope_Atom_Count	0
71309905	Isotope_Atom_Count	1
11829397	TPSA	25.1
529281	Structure_Complexity	109
139291782	Exact_Mass	922.36702371
55283	Hydrogen_Bond_Acceptor_Count	9
55284046	Defined_Bond_Stereo_Count	0
76126	Hydrogen_Bond_Donor_Count	0
3325	TPSA	238
52918382	TPSA	94.5
91865076	TPSA	943
14147082	Defined_Atom_Stereo_Count	0
91414	XLogP3-AA	3
68939	Total_Formal_Charge	0
3374	Hydrogen_Bond_Acceptor_Count	5
5354487	Mono_Isotopic_Weight	85.052763847
194383	Isotope_Atom_Count	0
25166913	Isotope_Atom_Count	0
21498	Tautomer_Count	10
16221342	Isotope_Atom_Count	0
6537	XLogP3-AA	8.9
22456671	TPSA	52
139062655	Hydrogen_Bond_Donor_Count	5
7007	Tautomer_Count	1
9914506	Rotatable_Bond_Count	8
9964076	Covalent_Unit_Count	1
23366185	Total_Formal_Charge	0
12535	Defined_Atom_Stereo_Count	0
130150414	Hydrogen_Bond_Acceptor_Count	4
44755146	Molecular_Weight	326.17
19104	Hydrogen_Bond_Acceptor_Count	3
372	Total_Formal_Charge	0
223464	Defined_Bond_Stereo_Count	0
13785328	Structure_Complexity	590
1164	Mono_Isotopic_Weight	566.05502130
47965	Isotope_Atom_Count	0
864	Molecular_Weight	206.3
126968545	TPSA	37.3
146158032	Isotope_Atom_Count	3
85760873	Non-hydrogen_Atom_Count	7
10313457	Total_Formal_Charge	0
10254700	Mono_Isotopic_Weight	483.04035
193450	Rotatable_Bond_Count	4
49864766	Undefined_Atom_Stereo_Count	0
72652	Exact_Mass	309.09766318
2423	Isotope_Atom_Count	0
10319630	Structure_Complexity	473
63403	Defined_Atom_Stereo_Count	0
8419	XLogP3	1.5
8427	Non-hydrogen_Atom_Count	14
2762647	Rotatable_Bond_Count	1
7020	Defined_Atom_Stereo_Count	0
32065	Total_Formal_Charge	0
9892539	Structure_Complexity	633
79642	Exact_Mass	231.0509649
11432307	Undefined_Atom_Stereo_Count	0
544590	Defined_Bond_Stereo_Count	0
21929	Molecular_Weight	237.64
59277826	Defined_Bond_Stereo_Count	0
60822	Tautomer_Count	3
124602261	XLogP3-AA	1.5
5282219	Hydrogen_Bond_Acceptor_Count	6
152306	Total_Formal_Charge	0
69188	Undefined_Bond_Stereo_Count	0
3976	Hydrogen_Bond_Acceptor_Count	4
11126361	XLogP3-AA	0.5
136183442	Hydrogen_Bond_Acceptor_Count	8
55329	Mono_Isotopic_Weight	263.17461031
54285963	Total_Formal_Charge	0
62802	Isotope_Atom_Count	0
5287851	Molecular_Weight	315.41
22341299	Total_Formal_Charge	0
11332442	Undefined_Atom_Stereo_Count	0
24776140	Rotatable_Bond_Count	2
61103	Rotatable_Bond_Count	0
543129	Hydrogen_Bond_Donor_Count	1
135412609	Undefined_Atom_Stereo_Count	1
159747	Structure_Complexity	50.4
81183	Hydrogen_Bond_Acceptor_Count	1
12209630	Defined_Bond_Stereo_Count	0
85296	Rotatable_Bond_Count	4
102239071	Defined_Bond_Stereo_Count	0
91686	Hydrogen_Bond_Donor_Count	0
53784322	Defined_Atom_Stereo_Count	0
20811	Defined_Atom_Stereo_Count	0
11572	Molecular_Weight	96.17
14520	Covalent_Unit_Count	1
12836760	Defined_Atom_Stereo_Count	0
134812007	Rotatable_Bond_Count	1
9828911	XLogP3-AA	2.8
11512	Molecular_Weight	114.23
351795	Defined_Bond_Stereo_Count	0
544563	Molecular_Weight	112.17
616236	Tautomer_Count	12
60678	Total_Formal_Charge	0
2440	Mono_Isotopic_Weight	496.09575
49853967	XLogP3-AA	2.9
755071	TPSA	41.9
69337	Tautomer_Count	5
61832	Isotope_Atom_Count	0
166796	Mono_Isotopic_Weight	414.03275590
25191022	Non-hydrogen_Atom_Count	36
21662703	Exact_Mass	108.068748264
2452	Defined_Atom_Stereo_Count	0
638552	Molecular_Weight	319.9
8467	Mono_Isotopic_Weight	166.062994177
12901	Defined_Atom_Stereo_Count	0
85370	Structure_Complexity	166
25142172	Hydrogen_Bond_Donor_Count	2
95308	Isotope_Atom_Count	0
13473	Mono_Isotopic_Weight	331.1161486
88045	Total_Formal_Charge	0
4838	Tautomer_Count	1
907	Hydrogen_Bond_Donor_Count	3
124247	Defined_Bond_Stereo_Count	0
402871	Hydrogen_Bond_Donor_Count	0
562362	Rotatable_Bond_Count	3
140159201	Structure_Complexity	52
83478540	Structure_Complexity	98.7
21659832	Molecular_Weight	117.10
38687	Total_Formal_Charge	0
41317	Undefined_Bond_Stereo_Count	4
12498	Defined_Bond_Stereo_Count	0
12519787	Undefined_Bond_Stereo_Count	0
2734233	Defined_Atom_Stereo_Count	0
96421	Undefined_Bond_Stereo_Count	1
38855	Mono_Isotopic_Weight	356.29265975
978766	Defined_Bond_Stereo_Count	0
33820	Molecular_Weight	321.5
5205	Covalent_Unit_Count	1
7464	Exact_Mass	135.104799419
4163	Hydrogen_Bond_Donor_Count	2
54511620	Exact_Mass	98.073164938
53999929	Molecular_Weight	113.07
26314	Total_Formal_Charge	0
12842606	Non-hydrogen_Atom_Count	7
56846351	Rotatable_Bond_Count	4
9918581	Isotope_Atom_Count	0
59481545	Hydrogen_Bond_Donor_Count	1
62816	Non-hydrogen_Atom_Count	18
154522078	Total_Formal_Charge	0
5463411	XLogP3-AA	3.6
13072114	Undefined_Atom_Stereo_Count	1
3295	Hydrogen_Bond_Donor_Count	1
164705775	Molecular_Weight	342.30
564664	Mono_Isotopic_Weight	108.093900383
44310710	Covalent_Unit_Count	1
119086017	Rotatable_Bond_Count	1
11466	Undefined_Bond_Stereo_Count	0
58611	Undefined_Atom_Stereo_Count	0
28207	Tautomer_Count	3
2758725	Undefined_Bond_Stereo_Count	0
54726191	Defined_Bond_Stereo_Count	0
12508473	Rotatable_Bond_Count	1
952882	Isotope_Atom_Count	0
167305	Defined_Bond_Stereo_Count	0
448258	TPSA	67.9
23519822	Rotatable_Bond_Count	6
18506421	Molecular_Weight	116.11
6851	Total_Formal_Charge	0
87217	Covalent_Unit_Count	1
53234134	Non-hydrogen_Atom_Count	45
194383	Hydrogen_Bond_Acceptor_Count	11
60207207	Undefined_Bond_Stereo_Count	0
67532	Hydrogen_Bond_Acceptor_Count	4
5351457	Defined_Atom_Stereo_Count	0
517165	Defined_Bond_Stereo_Count	0
57874	Exact_Mass	312.183778013
10062737	Total_Formal_Charge	0
7557	Total_Formal_Charge	0
135423770	Undefined_Bond_Stereo_Count	0
4197	TPSA	65.8
28864	Mono_Isotopic_Weight	338.21066147
44864	Exact_Mass	270.08920892
203443	Total_Formal_Charge	0
87149	Undefined_Bond_Stereo_Count	0
12576852	Molecular_Weight	112.13
123400934	Defined_Bond_Stereo_Count	0
81415113	Undefined_Bond_Stereo_Count	0
16721	Structure_Complexity	398
167517	Rotatable_Bond_Count	5
67513158	Hydrogen_Bond_Acceptor_Count	2
71273	Defined_Bond_Stereo_Count	0
6992032	Undefined_Atom_Stereo_Count	0
10271	Total_Formal_Charge	0
118984411	Undefined_Atom_Stereo_Count	0
5352449	Defined_Bond_Stereo_Count	2
5320547	Structure_Complexity	255
2766305	Total_Formal_Charge	0
16726873	Molecular_Weight	517.0
73759973	Molecular_Weight	544.5
95416	Structure_Complexity	312
103564347	Undefined_Atom_Stereo_Count	0
71583271	Undefined_Bond_Stereo_Count	0
49869312	Defined_Atom_Stereo_Count	0
135532928	Non-hydrogen_Atom_Count	10
13337173	Exact_Mass	112.088815002
33014	Non-hydrogen_Atom_Count	22
71311141	Undefined_Bond_Stereo_Count	0
4151	XLogP3	1.8
107969	Hydrogen_Bond_Acceptor_Count	3
226832	Hydrogen_Bond_Donor_Count	2
96638024	TPSA	25.2
18442594	Hydrogen_Bond_Acceptor_Count	3
65991760	Hydrogen_Bond_Donor_Count	1
68194	Undefined_Bond_Stereo_Count	0
54372438	XLogP3-AA	0.3
42626880	Structure_Complexity	1230
60714	Rotatable_Bond_Count	5
9576002	Hydrogen_Bond_Donor_Count	7
101924284	Isotope_Atom_Count	0
12219859	Non-hydrogen_Atom_Count	8
119476	Isotope_Atom_Count	0
10478	Hydrogen_Bond_Donor_Count	0
656829	Tautomer_Count	1
998021	Rotatable_Bond_Count	7
64992857	Molecular_Weight	113.16
16065257	Mono_Isotopic_Weight	428.15584919
903168	Defined_Atom_Stereo_Count	0
6994	XLogP3	1.6
135409409	Hydrogen_Bond_Acceptor_Count	6
21501	Exact_Mass	163.038176411
135484549	TPSA	184
6723	Rotatable_Bond_Count	2
12560918	Mono_Isotopic_Weight	100.052429494
67570	Defined_Bond_Stereo_Count	0
123816513	Hydrogen_Bond_Donor_Count	1
119097331	Non-hydrogen_Atom_Count	7
74904	Hydrogen_Bond_Acceptor_Count	2
91589	Molecular_Weight	204.65
22054617	Undefined_Bond_Stereo_Count	0
112446	Hydrogen_Bond_Donor_Count	0
60285	Total_Formal_Charge	0
1474853	Structure_Complexity	466
21041053	Covalent_Unit_Count	1
448653	Non-hydrogen_Atom_Count	54
193270	Defined_Atom_Stereo_Count	1
21851	Molecular_Weight	324.8
92838	Defined_Bond_Stereo_Count	0
53786	Exact_Mass	370.18566972
25015412	Molecular_Weight	518.6
20132002	Covalent_Unit_Count	1
146157396	Rotatable_Bond_Count	17
33137	Undefined_Atom_Stereo_Count	0
9794197	Mono_Isotopic_Weight	197.0818711
5754	Isotope_Atom_Count	0
59281	Rotatable_Bond_Count	2
400182	Structure_Complexity	1330
4871	Exact_Mass	420.15728848
535857	Structure_Complexity	68.8
11693901	Defined_Bond_Stereo_Count	0
90658992	Mono_Isotopic_Weight	260.05352843
79840	XLogP3-AA	0.5
281459	Structure_Complexity	136
16073666	Molecular_Weight	650.8
129800133	Defined_Bond_Stereo_Count	0
72385	Molecular_Weight	616.8
410099	Defined_Atom_Stereo_Count	0
16312	Isotope_Atom_Count	0
16682930	TPSA	0
60196381	Non-hydrogen_Atom_Count	27
246476	TPSA	150
154574495	Rotatable_Bond_Count	2
9918978	Defined_Atom_Stereo_Count	7
104807	Mono_Isotopic_Weight	134.08776963
354520	Non-hydrogen_Atom_Count	20
163050679	Exact_Mass	284.16237386
36795	TPSA	30.5
5319422	Hydrogen_Bond_Donor_Count	2
82261	Covalent_Unit_Count	1
17852300	Hydrogen_Bond_Acceptor_Count	2
56964111	Covalent_Unit_Count	1
7824	Covalent_Unit_Count	1
26175	Tautomer_Count	1
123257569	Mono_Isotopic_Weight	110.109550447
6114	Hydrogen_Bond_Donor_Count	0
681	Molecular_Weight	153.18
4141306	TPSA	133
39164	XLogP3-AA	4.2
23064418	Defined_Atom_Stereo_Count	0
20439251	Defined_Bond_Stereo_Count	0
3869	Defined_Bond_Stereo_Count	0
102	Molecular_Weight	124.14
197344	Structure_Complexity	388
60196431	Non-hydrogen_Atom_Count	23
41114	Total_Formal_Charge	0
123247088	Hydrogen_Bond_Donor_Count	0
11274968	Total_Formal_Charge	0
92764	Undefined_Bond_Stereo_Count	0
60196409	Molecular_Weight	548.0
13315542	Covalent_Unit_Count	1
89881183	Exact_Mass	396.1101515
148184759	Undefined_Bond_Stereo_Count	0
82718176	Molecular_Weight	116.16
16051942	Hydrogen_Bond_Donor_Count	1
698364	Hydrogen_Bond_Donor_Count	2
23471	Covalent_Unit_Count	1
3014059	Total_Formal_Charge	0
4595	Undefined_Bond_Stereo_Count	0
1585857	Isotope_Atom_Count	0
12462	Undefined_Atom_Stereo_Count	0
118360420	Undefined_Atom_Stereo_Count	6
129627923	Non-hydrogen_Atom_Count	17
11495505	Defined_Atom_Stereo_Count	0
71160	Undefined_Bond_Stereo_Count	0
11375816	Defined_Bond_Stereo_Count	0
656999	Defined_Bond_Stereo_Count	1
36186	Rotatable_Bond_Count	1
55253420	Exact_Mass	99.104799419
71308226	Rotatable_Bond_Count	7
154474487	Total_Formal_Charge	0
53967	Mono_Isotopic_Weight	184.08479225
23706212	Total_Formal_Charge	0
11848	Defined_Bond_Stereo_Count	0
10232719	TPSA	47.1
72207931	Defined_Bond_Stereo_Count	0
16420	Non-hydrogen_Atom_Count	15
15100753	Isotope_Atom_Count	0
10966	XLogP3	1.5
4952	TPSA	74.6
153380590	Mono_Isotopic_Weight	115.099714038
88212048	Defined_Bond_Stereo_Count	0
7016383	Tautomer_Count	2
2281	TPSA	174
31772	Defined_Atom_Stereo_Count	0
77312	Hydrogen_Bond_Donor_Count	0
9831652	Defined_Bond_Stereo_Count	0
6917762	Exact_Mass	228.183778013
123208701	Rotatable_Bond_Count	1
53316398	Covalent_Unit_Count	3
135436538	Rotatable_Bond_Count	4
12382883	TPSA	70.4
60572	Total_Formal_Charge	0
11542775	Total_Formal_Charge	0
1980698	Structure_Complexity	346
5284507	Covalent_Unit_Count	1
138496	TPSA	50.8
2005	TPSA	66.4
74180	Hydrogen_Bond_Donor_Count	1
20055397	Hydrogen_Bond_Acceptor_Count	5
11184839	Hydrogen_Bond_Donor_Count	1
616236	Defined_Atom_Stereo_Count	0
129628397	TPSA	154
16682730	Non-hydrogen_Atom_Count	11
443879	Undefined_Atom_Stereo_Count	0
56928061	Mono_Isotopic_Weight	527.23263824
6971018	TPSA	67.8
151014	Tautomer_Count	2
67246787	Isotope_Atom_Count	0
5284361	Undefined_Atom_Stereo_Count	6
134693165	Exact_Mass	742.23202911
23170707	Rotatable_Bond_Count	1
23696271	Hydrogen_Bond_Donor_Count	1
5360349	Rotatable_Bond_Count	0
154909	Isotope_Atom_Count	0
6178111	Total_Formal_Charge	0
3086685	Total_Formal_Charge	0
6993950	Isotope_Atom_Count	0
92231	Exact_Mass	220.182715385
13208114	Undefined_Bond_Stereo_Count	0
3838852	Undefined_Bond_Stereo_Count	0
16693	Molecular_Weight	189.04
191120	Molecular_Weight	176.17
155290	Covalent_Unit_Count	2
57656833	Non-hydrogen_Atom_Count	28
439286	XLogP3-AA	1.1
20949	Defined_Atom_Stereo_Count	0
68374	Tautomer_Count	9
23077956	TPSA	68.2
201382	Undefined_Bond_Stereo_Count	0
32816	Structure_Complexity	144
71734	Covalent_Unit_Count	1
257630	Total_Formal_Charge	0
3123	Hydrogen_Bond_Donor_Count	4
18736805	Hydrogen_Bond_Acceptor_Count	3
10295295	Tautomer_Count	1
25217475	Defined_Atom_Stereo_Count	3
21831691	Undefined_Bond_Stereo_Count	0
42609610	Tautomer_Count	11
78431	Mono_Isotopic_Weight	239.09799996
79946	Defined_Atom_Stereo_Count	0
85939688	Total_Formal_Charge	0
1549097	Mono_Isotopic_Weight	152.00175385
129320263	Exact_Mass	337.05798562
47	Covalent_Unit_Count	1
2837669	Structure_Complexity	261
93093	Molecular_Weight	88.11
11382710	Non-hydrogen_Atom_Count	24
90937445	Covalent_Unit_Count	1
10704	Hydrogen_Bond_Acceptor_Count	1
5362620	Isotope_Atom_Count	0
13924394	Defined_Atom_Stereo_Count	0
70016	Structure_Complexity	179
25002426	Molecular_Weight	433.4
102366731	Undefined_Atom_Stereo_Count	0
91469693	Exact_Mass	96.057514874
91438	Covalent_Unit_Count	1
7728	Molecular_Weight	121.18
14117201	Hydrogen_Bond_Acceptor_Count	1
56841596	Undefined_Atom_Stereo_Count	7
61222	Undefined_Atom_Stereo_Count	0
124069	Defined_Atom_Stereo_Count	0
71307	Total_Formal_Charge	0
14416506	Total_Formal_Charge	0
124224931	XLogP3-AA	2.1
3000	Hydrogen_Bond_Donor_Count	2
12450	Hydrogen_Bond_Donor_Count	0
46226173	Undefined_Atom_Stereo_Count	0
33254	Defined_Bond_Stereo_Count	0
60196440	Undefined_Bond_Stereo_Count	0
635186	Hydrogen_Bond_Donor_Count	1
23270355	Undefined_Atom_Stereo_Count	0
1732	Non-hydrogen_Atom_Count	9
53385491	Mono_Isotopic_Weight	1582.6453481
24900874	Hydrogen_Bond_Acceptor_Count	7
71902	Defined_Atom_Stereo_Count	5
68410	Non-hydrogen_Atom_Count	6
11002	TPSA	25.3
64956	Molecular_Weight	103.12
7026090	XLogP3-AA	0
10039	Defined_Atom_Stereo_Count	0
284024	Undefined_Bond_Stereo_Count	0
23574562	Structure_Complexity	143
270840	Defined_Bond_Stereo_Count	0
46936422	Molecular_Weight	867.1
26998	Structure_Complexity	110
15301	Defined_Bond_Stereo_Count	0
162413	XLogP3	3.7
20055121	TPSA	190
60196367	Non-hydrogen_Atom_Count	31
141770945	Defined_Atom_Stereo_Count	0
500	Defined_Atom_Stereo_Count	0
148201	Covalent_Unit_Count	1
117682783	Exact_Mass	284.16237386
12465674	Undefined_Atom_Stereo_Count	2
136499	Hydrogen_Bond_Donor_Count	0
21325324	Hydrogen_Bond_Acceptor_Count	2
71116366	Non-hydrogen_Atom_Count	41
11111992	Isotope_Atom_Count	0
4427	Covalent_Unit_Count	1
71306720	Isotope_Atom_Count	0
15909	Molecular_Weight	146.19
6437648	Hydrogen_Bond_Acceptor_Count	2
12415356	TPSA	45.4
60695	Molecular_Weight	609.7
17424	Mono_Isotopic_Weight	276.00774492
22731	Hydrogen_Bond_Donor_Count	0
259331	Exact_Mass	439.1680992
543880	Covalent_Unit_Count	1
6917976	Hydrogen_Bond_Acceptor_Count	22
6980	XLogP3	2.5
6078	Mono_Isotopic_Weight	379.2026549
6433892	Covalent_Unit_Count	1
22000495	Exact_Mass	101.047678466
3005587	Rotatable_Bond_Count	0
21798	Undefined_Atom_Stereo_Count	0
4191617	Rotatable_Bond_Count	0
19867655	Defined_Atom_Stereo_Count	0
10431444	Molecular_Weight	406.4
9952	Exact_Mass	309.21040730
10130360	Hydrogen_Bond_Acceptor_Count	4
2565	Molecular_Weight	477.6
594130	Defined_Bond_Stereo_Count	0
14459015	Non-hydrogen_Atom_Count	20
243400	TPSA	26.3
153994	Undefined_Bond_Stereo_Count	0
224004	Defined_Atom_Stereo_Count	8
56845780	Defined_Atom_Stereo_Count	4
701038	Non-hydrogen_Atom_Count	19
73664614	Rotatable_Bond_Count	0
577	Exact_Mass	342.14002096
66537	Molecular_Weight	212.29
829002	Defined_Atom_Stereo_Count	1
5280604	Non-hydrogen_Atom_Count	64
14510872	Covalent_Unit_Count	1
448258	Hydrogen_Bond_Donor_Count	1
70280881	Structure_Complexity	241
91996283	Total_Formal_Charge	0
70545463	Defined_Atom_Stereo_Count	0
146158506	XLogP3-AA	2.5
9220	Non-hydrogen_Atom_Count	9
21896450	Mono_Isotopic_Weight	111.032028402
56982924	Hydrogen_Bond_Donor_Count	1
87704872	Undefined_Atom_Stereo_Count	1
13356643	Total_Formal_Charge	0
15311935	Undefined_Bond_Stereo_Count	0
185698	TPSA	110
99850	Hydrogen_Bond_Donor_Count	1
11808	Non-hydrogen_Atom_Count	14
3002335	Exact_Mass	511.18959167
118360945	Defined_Atom_Stereo_Count	0
3081361	Exact_Mass	474.10667
6974	Defined_Bond_Stereo_Count	0
3462	Total_Formal_Charge	0
5356789	Isotope_Atom_Count	0
82513	Non-hydrogen_Atom_Count	17
7216	Defined_Atom_Stereo_Count	0
24883429	Isotope_Atom_Count	0
64929	XLogP3	3.9
9991	Isotope_Atom_Count	0
119432	Covalent_Unit_Count	1
521151	XLogP3-AA	0.3
57031203	Defined_Atom_Stereo_Count	0
18345891	Total_Formal_Charge	0
7042	Structure_Complexity	178
71317118	Exact_Mass	275.13688739
12209629	Undefined_Bond_Stereo_Count	0
2861016	Molecular_Weight	284.29
45933886	Defined_Atom_Stereo_Count	4
192197	Defined_Atom_Stereo_Count	2
55288485	TPSA	52.9
656404	XLogP3-AA	4.6
37720	TPSA	356
7366	Mono_Isotopic_Weight	134.109550447
4740	Hydrogen_Bond_Acceptor_Count	4
119033	Undefined_Atom_Stereo_Count	0
24041599	Defined_Bond_Stereo_Count	0
70700216	Rotatable_Bond_Count	2
71433469	Rotatable_Bond_Count	0
3037705	Mono_Isotopic_Weight	302.224580195
163199229	Defined_Atom_Stereo_Count	4
55223	Total_Formal_Charge	0
16215374	Exact_Mass	154.1165099
29800	TPSA	66.9
66901	Defined_Atom_Stereo_Count	0
53441735	TPSA	38.1
24776140	TPSA	77.4
57401151	Covalent_Unit_Count	1
6476006	Structure_Complexity	324
3413668	XLogP3-AA	5
71225	Defined_Bond_Stereo_Count	0
10638	Undefined_Atom_Stereo_Count	0
5311356	Molecular_Weight	398.5
9464	TPSA	29.1
88226977	Undefined_Bond_Stereo_Count	0
5281718	Undefined_Bond_Stereo_Count	0
52922056	Undefined_Atom_Stereo_Count	0
131673845	TPSA	726
37631	Hydrogen_Bond_Acceptor_Count	3
16040270	XLogP3-AA	2.6
578334	Undefined_Bond_Stereo_Count	0
18596	Hydrogen_Bond_Donor_Count	0
7594	Molecular_Weight	211.26
14791281	Covalent_Unit_Count	1
154685136	Defined_Atom_Stereo_Count	0
141831210	Covalent_Unit_Count	1
75282141	Rotatable_Bond_Count	4
19782027	Covalent_Unit_Count	1
16212966	Mono_Isotopic_Weight	181.06674293
398513	Mono_Isotopic_Weight	578.02108976
73303	Molecular_Weight	420.5
6539985	Defined_Bond_Stereo_Count	0
6154	Exact_Mass	373.27809293
15365	Tautomer_Count	1
23674183	Covalent_Unit_Count	3
24408	Total_Formal_Charge	0
29921593	Isotope_Atom_Count	0
11466	TPSA	45.8
11072675	Isotope_Atom_Count	0
1516	Exact_Mass	272.96367
3001	Hydrogen_Bond_Donor_Count	0
582898	Structure_Complexity	115
2251	Rotatable_Bond_Count	8
90990	Defined_Atom_Stereo_Count	0
10953595	Structure_Complexity	146
138106567	Exact_Mass	1322.0938467
11544171	Non-hydrogen_Atom_Count	24
989	Non-hydrogen_Atom_Count	9
24916942	Hydrogen_Bond_Acceptor_Count	8
4595	Rotatable_Bond_Count	2
390798	Hydrogen_Bond_Donor_Count	0
67979346	Total_Formal_Charge	0
5352539	Undefined_Atom_Stereo_Count	0
10898663	Undefined_Atom_Stereo_Count	1
54541930	Rotatable_Bond_Count	3
129800133	Total_Formal_Charge	0
312915	Defined_Atom_Stereo_Count	0
8340	Exact_Mass	353.12632271
439468	Hydrogen_Bond_Donor_Count	11
67711	Structure_Complexity	56.4
9952446	Rotatable_Bond_Count	7
447994	TPSA	119
84647682	Undefined_Atom_Stereo_Count	3
129888394	Defined_Atom_Stereo_Count	0
25199798	Exact_Mass	263.034456
16063805	TPSA	35.5
51	Hydrogen_Bond_Acceptor_Count	5
11062312	XLogP3-AA	1.1
137228068	Isotope_Atom_Count	0
139062526	Non-hydrogen_Atom_Count	20
28131	Structure_Complexity	206
90488875	Covalent_Unit_Count	3
137967	Rotatable_Bond_Count	0
13795010	Rotatable_Bond_Count	1
67688	Total_Formal_Charge	0
146681183	Undefined_Bond_Stereo_Count	0
11708	XLogP3-AA	1.9
131878633	Covalent_Unit_Count	1
63973	Total_Formal_Charge	0
12517392	Covalent_Unit_Count	1
10290744	Defined_Atom_Stereo_Count	0
4543	TPSA	12
55595	Defined_Bond_Stereo_Count	0
628397	Structure_Complexity	344
56665391	XLogP3-AA	4.8
86821	Undefined_Atom_Stereo_Count	9
135398641	Non-hydrogen_Atom_Count	19
636822	Hydrogen_Bond_Donor_Count	0
91053206	Structure_Complexity	2330
163050676	Rotatable_Bond_Count	0
66792573	Molecular_Weight	101.15
166957	Exact_Mass	196.96721
58407	Isotope_Atom_Count	0
17432	Exact_Mass	245.918817
21979976	Rotatable_Bond_Count	1
16219371	Undefined_Atom_Stereo_Count	5
50099	Exact_Mass	325.880439
72332520	Hydrogen_Bond_Donor_Count	0
55250378	Rotatable_Bond_Count	0
3969	Structure_Complexity	369
12899069	Isotope_Atom_Count	0
70693582	Isotope_Atom_Count	0
88462	Covalent_Unit_Count	1
11182587	Isotope_Atom_Count	0
10176108	Non-hydrogen_Atom_Count	7
3388301	Molecular_Weight	220.03
62276	Exact_Mass	461.0489140
68030	Non-hydrogen_Atom_Count	8
9411	Covalent_Unit_Count	1
442882	Covalent_Unit_Count	1
9984374	Structure_Complexity	1010
123239743	Rotatable_Bond_Count	1
25184868	Molecular_Weight	154.25
5353422	Hydrogen_Bond_Donor_Count	1
15278	Mono_Isotopic_Weight	164.083729621
59145	Defined_Atom_Stereo_Count	0
53674	Structure_Complexity	328
129849349	Undefined_Atom_Stereo_Count	2
5253	XLogP3	0.2
356	Structure_Complexity	25
6918546	TPSA	170
14585707	Undefined_Atom_Stereo_Count	3
60335	Defined_Bond_Stereo_Count	0
20172	Exact_Mass	467.96739619
855556	Exact_Mass	293.08341252
66932	Rotatable_Bond_Count	19
398632	Rotatable_Bond_Count	2
53584	Hydrogen_Bond_Donor_Count	1
21917899	Molecular_Weight	180.20
14269	Molecular_Weight	102.13
13087266	Hydrogen_Bond_Acceptor_Count	1
9908927	XLogP3-AA	5
135532964	Exact_Mass	97.027611728
20254	Hydrogen_Bond_Acceptor_Count	1
20769606	Mono_Isotopic_Weight	114.068079557
5462501	Rotatable_Bond_Count	8
27323	Hydrogen_Bond_Acceptor_Count	2
24206429	Tautomer_Count	1
16639	Hydrogen_Bond_Acceptor_Count	2
10219398	Structure_Complexity	160
86592	Defined_Bond_Stereo_Count	0
1441454	Hydrogen_Bond_Donor_Count	1
76973769	Defined_Atom_Stereo_Count	6
141697522	TPSA	110
123673485	Defined_Atom_Stereo_Count	0
62321	Molecular_Weight	224.34
89555	Hydrogen_Bond_Acceptor_Count	1
66119	Hydrogen_Bond_Donor_Count	0
101194	XLogP3-AA	0.2
189563	Structure_Complexity	483
123789923	Hydrogen_Bond_Donor_Count	0
135398560	Defined_Bond_Stereo_Count	0
589313	TPSA	41.6
91635	Non-hydrogen_Atom_Count	18
687906	Undefined_Bond_Stereo_Count	0
11951725	Rotatable_Bond_Count	4
16139605	Molecular_Weight	3752.1
271	Exact_Mass	39.9625908
2828	Structure_Complexity	509
15575641	TPSA	41.6
13924394	Hydrogen_Bond_Acceptor_Count	2
24972597	XLogP3-AA	0.2
52893	Undefined_Bond_Stereo_Count	0
178134	Rotatable_Bond_Count	4
70680970	Covalent_Unit_Count	1
10219384	Molecular_Weight	96.979
13810472	Hydrogen_Bond_Acceptor_Count	1
139584100	Non-hydrogen_Atom_Count	92
17174	Molecular_Weight	110.11
123751374	Exact_Mass	1201.84136802
229126	Rotatable_Bond_Count	4
85571413	Rotatable_Bond_Count	0
102249560	Total_Formal_Charge	0
12842600	Defined_Atom_Stereo_Count	0
24867454	TPSA	95.6
6857536	Hydrogen_Bond_Donor_Count	0
6979027	TPSA	62.3
6326947	Undefined_Bond_Stereo_Count	0
47445	Defined_Bond_Stereo_Count	0
23207406	Undefined_Bond_Stereo_Count	0
14030006	Mono_Isotopic_Weight	932.76803489
101535535	Hydrogen_Bond_Donor_Count	1
76949	Hydrogen_Bond_Donor_Count	0
11946	Exact_Mass	174.042927438
60287	Defined_Bond_Stereo_Count	0
12842600	Rotatable_Bond_Count	2
53840809	Undefined_Bond_Stereo_Count	0
12626561	TPSA	44.5
22175060	Mono_Isotopic_Weight	117.078978594
56020	TPSA	55.6
163925	Hydrogen_Bond_Acceptor_Count	6
10091748	Structure_Complexity	586
211468	Defined_Bond_Stereo_Count	0
42614	Molecular_Weight	198.18
53340426	Isotope_Atom_Count	0
66645351	Undefined_Bond_Stereo_Count	0
57829	Hydrogen_Bond_Acceptor_Count	1
70935	Structure_Complexity	128
39976	Defined_Atom_Stereo_Count	0
6921	Mono_Isotopic_Weight	179.9953623
20605239	Non-hydrogen_Atom_Count	6
30868	XLogP3-AA	8.1
15103	Isotope_Atom_Count	0
21566834	Undefined_Atom_Stereo_Count	0
2995	Non-hydrogen_Atom_Count	20
12786810	Rotatable_Bond_Count	2
5443	Non-hydrogen_Atom_Count	10
5321765	Undefined_Atom_Stereo_Count	0
93365	Undefined_Atom_Stereo_Count	1
146821604	Molecular_Weight	100.16
441073	XLogP3	2.9
67849	Isotope_Atom_Count	0
6440938	Molecular_Weight	259.21
68356363	Covalent_Unit_Count	1
20710	Non-hydrogen_Atom_Count	22
141336344	Molecular_Weight	114.14
53815669	Undefined_Atom_Stereo_Count	0
36975	Undefined_Atom_Stereo_Count	1
62873	Structure_Complexity	678
149519	Total_Formal_Charge	0
68583	Molecular_Weight	505.7
104806	Mono_Isotopic_Weight	61.987817862
78423105	Exact_Mass	259.04289038
42985	Exact_Mass	495.33083616
67322	Undefined_Bond_Stereo_Count	0
15269993	Hydrogen_Bond_Donor_Count	1
62165	XLogP3-AA	7.7
3055957	Molecular_Weight	101.19
94154	Undefined_Atom_Stereo_Count	0
5723	Hydrogen_Bond_Acceptor_Count	6
19082030	Covalent_Unit_Count	1
11466	Hydrogen_Bond_Acceptor_Count	2
79834	Defined_Atom_Stereo_Count	0
7244	Isotope_Atom_Count	0
10486817	Structure_Complexity	104
4224596	Defined_Bond_Stereo_Count	0
4234	Molecular_Weight	678.8
638105	XLogP3-AA	0.1
135437285	Rotatable_Bond_Count	2
5798	Rotatable_Bond_Count	0
227430	Undefined_Bond_Stereo_Count	0
893562	Mono_Isotopic_Weight	286.9574550
20739	Non-hydrogen_Atom_Count	10
54900	Non-hydrogen_Atom_Count	35
6047	Molecular_Weight	197.19
5361092	Isotope_Atom_Count	0
71386	Isotope_Atom_Count	0
44201342	Hydrogen_Bond_Acceptor_Count	76
60196340	XLogP3-AA	1.8
160817	Hydrogen_Bond_Donor_Count	1
115011062	Undefined_Atom_Stereo_Count	0
191101	Defined_Bond_Stereo_Count	0
78324	Rotatable_Bond_Count	4
1923	Hydrogen_Bond_Donor_Count	1
143331072	Hydrogen_Bond_Donor_Count	0
6437842	Undefined_Atom_Stereo_Count	1
10202381	Exact_Mass	421.23409708
1269845	Total_Formal_Charge	0
3015569	Undefined_Atom_Stereo_Count	0
13418386	Non-hydrogen_Atom_Count	8
81	Rotatable_Bond_Count	8
53798643	Isotope_Atom_Count	0
10709065	Covalent_Unit_Count	1
131874127	Hydrogen_Bond_Acceptor_Count	4
11488729	Hydrogen_Bond_Donor_Count	0
129796414	Mono_Isotopic_Weight	177.02483502
853747	Exact_Mass	195.9595035
54084075	Defined_Bond_Stereo_Count	0
5282493	Structure_Complexity	982
3714	Structure_Complexity	700
12560918	Defined_Bond_Stereo_Count	0
547678	Rotatable_Bond_Count	2
70484261	Rotatable_Bond_Count	0
87592747	Total_Formal_Charge	0
56670167	Hydrogen_Bond_Acceptor_Count	6
19402	Exact_Mass	374.0709720
130028471	Non-hydrogen_Atom_Count	8
25171648	Hydrogen_Bond_Donor_Count	0
20100130	Structure_Complexity	420
10103132	Undefined_Bond_Stereo_Count	0
6439276	Hydrogen_Bond_Acceptor_Count	12
21751982	Undefined_Atom_Stereo_Count	0
19082215	XLogP3-AA	3.3
138372	TPSA	42.5
56627	Undefined_Atom_Stereo_Count	1
68292207	TPSA	36
536124	Structure_Complexity	111
15433	Covalent_Unit_Count	1
5491906	Isotope_Atom_Count	0
9832404	Hydrogen_Bond_Donor_Count	10
13260750	Tautomer_Count	1
10931381	Defined_Atom_Stereo_Count	0
166089069	Undefined_Atom_Stereo_Count	2
23723057	Rotatable_Bond_Count	1
16212969	Exact_Mass	416.05303648
131632500	Non-hydrogen_Atom_Count	23
8276	Undefined_Atom_Stereo_Count	0
60196352	Defined_Bond_Stereo_Count	0
22611003	Hydrogen_Bond_Acceptor_Count	4
23390806	Isotope_Atom_Count	0
8612	Total_Formal_Charge	0
14866	Molecular_Weight	223.27
44596	Hydrogen_Bond_Acceptor_Count	1
528405	XLogP3-AA	1.6
134129703	Structure_Complexity	1700
5934	Undefined_Bond_Stereo_Count	0
3611392	Defined_Atom_Stereo_Count	0
66708	Undefined_Bond_Stereo_Count	0
34837	Defined_Bond_Stereo_Count	0
2761399	Hydrogen_Bond_Donor_Count	1
57756	Defined_Atom_Stereo_Count	0
7077	Defined_Bond_Stereo_Count	0
57501504	Non-hydrogen_Atom_Count	47
4017	Hydrogen_Bond_Donor_Count	18
76049	Hydrogen_Bond_Donor_Count	0
67828	Total_Formal_Charge	0
1174	Isotope_Atom_Count	0
337359	Exact_Mass	236.05972032
6469	Defined_Bond_Stereo_Count	0
21328181	Hydrogen_Bond_Acceptor_Count	3
9258	Total_Formal_Charge	0
40469150	Hydrogen_Bond_Acceptor_Count	11
543882	Hydrogen_Bond_Acceptor_Count	1
22198	Structure_Complexity	55.5
60769	TPSA	67.9
6321414	Rotatable_Bond_Count	13
62277	TPSA	154
21867154	Defined_Atom_Stereo_Count	0
138122	Covalent_Unit_Count	1
18929959	Defined_Atom_Stereo_Count	0
13218140	Mono_Isotopic_Weight	114.068079557
11382	Structure_Complexity	480
77014	Non-hydrogen_Atom_Count	11
90184753	Hydrogen_Bond_Acceptor_Count	3
3437	Undefined_Bond_Stereo_Count	0
85693614	Molecular_Weight	117.15
58655	Exact_Mass	277.0748676
546482	Non-hydrogen_Atom_Count	21
304265	Structure_Complexity	92.5
123470675	Hydrogen_Bond_Donor_Count	0
285366	Total_Formal_Charge	0
15939	Mono_Isotopic_Weight	186.115698455
129714937	Hydrogen_Bond_Donor_Count	0
6437877	Rotatable_Bond_Count	12
63100	Mono_Isotopic_Weight	289.922361
4202286	Covalent_Unit_Count	1
65667	Mono_Isotopic_Weight	577.32641949
3086172	Molecular_Weight	416.3
42602351	Rotatable_Bond_Count	6
19734140	Undefined_Bond_Stereo_Count	0
3035406	Rotatable_Bond_Count	23
6917900	Hydrogen_Bond_Acceptor_Count	5
5324289	Defined_Bond_Stereo_Count	0
522003	Exact_Mass	132.115029749
10823890	Undefined_Bond_Stereo_Count	0
130027214	Total_Formal_Charge	0
57438703	Mono_Isotopic_Weight	115.99703987
17740	Defined_Bond_Stereo_Count	0
74802	Undefined_Bond_Stereo_Count	0
90476955	TPSA	0
24916942	Exact_Mass	654.27615838
135431272	Mono_Isotopic_Weight	111.043261792
12074364	Defined_Atom_Stereo_Count	0
16682993	Defined_Atom_Stereo_Count	0
1893	Total_Formal_Charge	0
55300789	Undefined_Bond_Stereo_Count	0
57280823	Undefined_Bond_Stereo_Count	0
91683	Mono_Isotopic_Weight	314.0622189
11421	Structure_Complexity	165
71530	XLogP3-AA	3.8
39722	Total_Formal_Charge	0
2618	Mono_Isotopic_Weight	454.03001448
5359484	Exact_Mass	289.0861010
4369579	Defined_Atom_Stereo_Count	1
21325775	TPSA	42.2
16132954	Covalent_Unit_Count	1
104610	Rotatable_Bond_Count	3
3274	Rotatable_Bond_Count	5
521951	Structure_Complexity	387
11703161	Covalent_Unit_Count	3
54548956	Hydrogen_Bond_Donor_Count	1
136430	Structure_Complexity	140
5329103	Covalent_Unit_Count	1
18942519	Non-hydrogen_Atom_Count	11
33137	Isotope_Atom_Count	0
91996	Hydrogen_Bond_Donor_Count	1
675533	Exact_Mass	283.09569129
994360	Mono_Isotopic_Weight	410.13002836
830140	Exact_Mass	227.05171847
7566942	TPSA	190
522325	Defined_Atom_Stereo_Count	0
55011	Exact_Mass	200.01297080
5311505	Molecular_Weight	449.6
618542	Total_Formal_Charge	0
15567528	Exact_Mass	112.063662883
57473238	Mono_Isotopic_Weight	97.027611728
135546482	Undefined_Atom_Stereo_Count	0
45086609	Total_Formal_Charge	0
7601	Hydrogen_Bond_Acceptor_Count	2
22385728	Undefined_Bond_Stereo_Count	0
30532	Isotope_Atom_Count	0
519449	Tautomer_Count	1
69170	Undefined_Atom_Stereo_Count	0
5462507	Molecular_Weight	327.4
533432	Rotatable_Bond_Count	0
11908488	Defined_Atom_Stereo_Count	10
23675321	Mono_Isotopic_Weight	418.02692283
44485	Tautomer_Count	34
51346808	Structure_Complexity	638
93192	Hydrogen_Bond_Donor_Count	2
163418146	Undefined_Bond_Stereo_Count	0
71663	Undefined_Bond_Stereo_Count	2
69111	Defined_Atom_Stereo_Count	0
582708	Undefined_Bond_Stereo_Count	0
93680	Mono_Isotopic_Weight	430.37705808
25111945	Covalent_Unit_Count	1
948323	Defined_Atom_Stereo_Count	0
19044091	Non-hydrogen_Atom_Count	7
31368	Exact_Mass	67.042199164
638144	Hydrogen_Bond_Acceptor_Count	4
550964	Hydrogen_Bond_Donor_Count	1
67375395	Covalent_Unit_Count	1
135418174	Rotatable_Bond_Count	2
7742	Rotatable_Bond_Count	2
36037	Mono_Isotopic_Weight	267.173547683
6397	Rotatable_Bond_Count	0
10892	XLogP3	2.2
6921	Undefined_Atom_Stereo_Count	0
64033	Hydrogen_Bond_Acceptor_Count	5
54732242	Defined_Atom_Stereo_Count	4
145994360	Hydrogen_Bond_Acceptor_Count	11
135402037	Exact_Mass	268.08076950
21650900	Hydrogen_Bond_Donor_Count	0
5359563	Structure_Complexity	282
9905438	Molecular_Weight	327.2
558148	Non-hydrogen_Atom_Count	7
44134877	Total_Formal_Charge	0
10899025	Defined_Bond_Stereo_Count	0
54477	Defined_Atom_Stereo_Count	1
16270	Mono_Isotopic_Weight	112.125200510
3784	Tautomer_Count	5
20626690	Total_Formal_Charge	0
3366	Isotope_Atom_Count	0
158815	Exact_Mass	165.115364102
13032	Non-hydrogen_Atom_Count	10
550687	Non-hydrogen_Atom_Count	7
71430868	Structure_Complexity	685
15016062	Defined_Bond_Stereo_Count	0
5894	Structure_Complexity	364
403821	Undefined_Bond_Stereo_Count	0
22016536	Structure_Complexity	706
11979606	Exact_Mass	1348.67523164
101219	Hydrogen_Bond_Acceptor_Count	2
27941	Undefined_Bond_Stereo_Count	0
12969456	Undefined_Atom_Stereo_Count	0
46174097	Covalent_Unit_Count	1
4635	Structure_Complexity	553
13530219	Defined_Bond_Stereo_Count	0
558363	Mono_Isotopic_Weight	99.104799419
11473	Defined_Bond_Stereo_Count	0
67156338	Total_Formal_Charge	0
22477643	Hydrogen_Bond_Donor_Count	1
13025413	Exact_Mass	116.047344113
16237	Rotatable_Bond_Count	5
72026	Defined_Atom_Stereo_Count	0
20652538	Exact_Mass	78.0469501914
8566	Isotope_Atom_Count	0
10021783	XLogP3-AA	5.4
435360	Structure_Complexity	172
5460221	Undefined_Bond_Stereo_Count	0
91168	TPSA	37.3
23954	Isotope_Atom_Count	0
244809	Non-hydrogen_Atom_Count	22
6779	XLogP3	5.3
66663	Rotatable_Bond_Count	8
87485	Exact_Mass	200.03813935
7504	Isotope_Atom_Count	0
3655	Hydrogen_Bond_Donor_Count	2
91657	Hydrogen_Bond_Acceptor_Count	6
36816	Structure_Complexity	401
161965	Rotatable_Bond_Count	3
41442	Rotatable_Bond_Count	3
88322	Undefined_Bond_Stereo_Count	0
96238	Exact_Mass	124.088815002
123117	Total_Formal_Charge	0
16213460	Defined_Bond_Stereo_Count	0
138404353	Structure_Complexity	1700
20782671	TPSA	9.2
3011734	Rotatable_Bond_Count	12
76198	Isotope_Atom_Count	0
5311236	Hydrogen_Bond_Donor_Count	3
36660	Molecular_Weight	234.25
58438464	XLogP3-AA	4.4
9887537	Molecular_Weight	405.5
320760	Exact_Mass	972.31694049
5364361	TPSA	0
51047	Hydrogen_Bond_Acceptor_Count	3
447715	Tautomer_Count	1
53873414	Defined_Bond_Stereo_Count	0
65084	Structure_Complexity	380
11105318	TPSA	26
149528181	Hydrogen_Bond_Acceptor_Count	2
52944421	Non-hydrogen_Atom_Count	29
33376	Defined_Atom_Stereo_Count	0
15480319	Undefined_Atom_Stereo_Count	0
53486260	Rotatable_Bond_Count	8
15547703	Hydrogen_Bond_Acceptor_Count	6
137348308	Hydrogen_Bond_Donor_Count	1
67214	Undefined_Bond_Stereo_Count	0
23663397	TPSA	282
39272	Tautomer_Count	1
6435068	Structure_Complexity	574
155977656	TPSA	229
65093	Undefined_Atom_Stereo_Count	0
46931005	Undefined_Atom_Stereo_Count	0
408714	Total_Formal_Charge	0
8141	Total_Formal_Charge	0
71459165	Molecular_Weight	292.4
4451502	Covalent_Unit_Count	1
11614934	Undefined_Bond_Stereo_Count	0
3272524	Isotope_Atom_Count	0
57057056	Hydrogen_Bond_Donor_Count	1
66760	Exact_Mass	153.0093748
135564996	Structure_Complexity	780
49290	Tautomer_Count	5
701745	Covalent_Unit_Count	1
53772109	Isotope_Atom_Count	0
13912815	Mono_Isotopic_Weight	328.13107373
53714679	Structure_Complexity	161
159199	Undefined_Bond_Stereo_Count	0
23422050	Covalent_Unit_Count	1
837	Structure_Complexity	405
14714356	TPSA	9.2
92180	Defined_Bond_Stereo_Count	0
46856306	Rotatable_Bond_Count	4
45116667	Defined_Atom_Stereo_Count	0
20139920	TPSA	32.3
7518	TPSA	32.3
15122	Rotatable_Bond_Count	2
10685477	Defined_Bond_Stereo_Count	0
19150	Exact_Mass	405.09945651
4409	XLogP3	3.1
6165177	Hydrogen_Bond_Acceptor_Count	9
143286	Mono_Isotopic_Weight	95.073499291
5284633	Non-hydrogen_Atom_Count	32
117190135	Mono_Isotopic_Weight	114.042927438
6433396	Tautomer_Count	1
123292394	Undefined_Atom_Stereo_Count	2
55285775	Defined_Atom_Stereo_Count	0
20787	Undefined_Atom_Stereo_Count	0
12743036	XLogP3-AA	0.6
85904472	Hydrogen_Bond_Acceptor_Count	0
40473404	Total_Formal_Charge	0
440064	Defined_Atom_Stereo_Count	2
5281004	Defined_Atom_Stereo_Count	8
70588255	Covalent_Unit_Count	1
60196326	Undefined_Atom_Stereo_Count	0
24978538	XLogP3-AA	9.6
15133384	Isotope_Atom_Count	0
1629	Defined_Bond_Stereo_Count	0
54370143	Mono_Isotopic_Weight	225.126597491
24821094	Exact_Mass	440.19607403
68321802	Structure_Complexity	686
98047377	Exact_Mass	284.16237386
72938	Molecular_Weight	389.4
71776638	Undefined_Bond_Stereo_Count	0
9526	Isotope_Atom_Count	0
44456889	Structure_Complexity	469
85296	Tautomer_Count	1
74889155	Hydrogen_Bond_Donor_Count	1
16371051	XLogP3	3.1
129320459	Covalent_Unit_Count	1
2009	Non-hydrogen_Atom_Count	15
667483	XLogP3-AA	3.8
5361848	Hydrogen_Bond_Acceptor_Count	10
2752588	Hydrogen_Bond_Donor_Count	1
15586	Defined_Atom_Stereo_Count	0
102518	Rotatable_Bond_Count	0
135400184	TPSA	106
121733	Exact_Mass	181.110278721
28540	Tautomer_Count	3
8509	Hydrogen_Bond_Acceptor_Count	2
408285	Undefined_Atom_Stereo_Count	0
57647726	Exact_Mass	324.183778013
735950	Hydrogen_Bond_Acceptor_Count	2
10351660	Total_Formal_Charge	0
21464101	Molecular_Weight	99.13
38306	Rotatable_Bond_Count	1
53479	Undefined_Atom_Stereo_Count	0
39897	Molecular_Weight	475.5
9961469	Exact_Mass	674.07629
6918584	TPSA	995
123388382	XLogP3-AA	0.5
6604910	Mono_Isotopic_Weight	292.121177757
1935	Covalent_Unit_Count	1
34844	Hydrogen_Bond_Acceptor_Count	6
2752638	Covalent_Unit_Count	1
2812423	Defined_Atom_Stereo_Count	0
122236791	Hydrogen_Bond_Donor_Count	1
23662382	Total_Formal_Charge	0
55300028	Hydrogen_Bond_Acceptor_Count	1
9889823	Molecular_Weight	447.5
72200142	Non-hydrogen_Atom_Count	42
20470206	Mono_Isotopic_Weight	108.093900383
52949373	Covalent_Unit_Count	1
22083393	Structure_Complexity	129
66708	Defined_Atom_Stereo_Count	0
532	Hydrogen_Bond_Donor_Count	10
163943218	Structure_Complexity	92.5
9962	TPSA	0
37274	Isotope_Atom_Count	0
9919816	Undefined_Atom_Stereo_Count	0
32872	Tautomer_Count	6
6917754	Covalent_Unit_Count	2
38666	Molecular_Weight	370.1
3000668	Undefined_Atom_Stereo_Count	1
69332464	Molecular_Weight	112.13
9887884	Defined_Bond_Stereo_Count	0
1013432	Hydrogen_Bond_Donor_Count	1
129654479	Structure_Complexity	108
52660	Total_Formal_Charge	0
87161809	Structure_Complexity	110
64463	Undefined_Bond_Stereo_Count	0
1459	Non-hydrogen_Atom_Count	24
519946	TPSA	9.2
7017843	Defined_Bond_Stereo_Count	0
30493	Isotope_Atom_Count	0
134669	Total_Formal_Charge	0
141678430	Mono_Isotopic_Weight	342.11621151
39266	Covalent_Unit_Count	1
10877064	Non-hydrogen_Atom_Count	8
4044	TPSA	49.3
14823	Tautomer_Count	1
81770	Molecular_Weight	102.18
663	Undefined_Bond_Stereo_Count	0
135431272	TPSA	67.5
3300	Defined_Atom_Stereo_Count	0
5228468	Structure_Complexity	85.3
43366	Undefined_Bond_Stereo_Count	0
132804	Isotope_Atom_Count	0
15031685	Exact_Mass	114.079312947
18879	Defined_Atom_Stereo_Count	3
20297542	Non-hydrogen_Atom_Count	8
20774103	Undefined_Atom_Stereo_Count	1
521158	Undefined_Bond_Stereo_Count	0
10441670	Total_Formal_Charge	0
14359030	Hydrogen_Bond_Donor_Count	0
73707356	Undefined_Atom_Stereo_Count	2
23268532	Defined_Atom_Stereo_Count	0
19743370	Mono_Isotopic_Weight	116.083729621
18312	Hydrogen_Bond_Acceptor_Count	0
24963	Isotope_Atom_Count	0
188802	Hydrogen_Bond_Donor_Count	3
117569443	Rotatable_Bond_Count	3
1150567	TPSA	38.8
82953	Rotatable_Bond_Count	0
122197581	Covalent_Unit_Count	1
11349389	TPSA	61.8
522105	Hydrogen_Bond_Acceptor_Count	1
17994152	Molecular_Weight	62.07
98790	Molecular_Weight	232.10
7099	Defined_Bond_Stereo_Count	0
113	Undefined_Bond_Stereo_Count	0
68648	Molecular_Weight	292.4
66813453	Undefined_Bond_Stereo_Count	0
59952	Undefined_Atom_Stereo_Count	0
11304	Structure_Complexity	132
86	Non-hydrogen_Atom_Count	11
123938	Undefined_Atom_Stereo_Count	0
57369411	Structure_Complexity	1370
71402	Non-hydrogen_Atom_Count	30
3033943	Non-hydrogen_Atom_Count	32
347748	Hydrogen_Bond_Donor_Count	1
23181	Isotope_Atom_Count	0
266052	Defined_Bond_Stereo_Count	0
4369233	Non-hydrogen_Atom_Count	18
62425	Mono_Isotopic_Weight	282.0204996
69396	Total_Formal_Charge	0
8723	Covalent_Unit_Count	1
123156	Isotope_Atom_Count	0
491830	Structure_Complexity	472
90771502	Undefined_Atom_Stereo_Count	0
4174	Defined_Atom_Stereo_Count	0
76631	Defined_Atom_Stereo_Count	0
53824461	Covalent_Unit_Count	1
25799416	Defined_Bond_Stereo_Count	0
11707110	Exact_Mass	615.07788
13463260	Defined_Atom_Stereo_Count	0
10892	Hydrogen_Bond_Donor_Count	0
9855548	Defined_Atom_Stereo_Count	0
53435617	Undefined_Atom_Stereo_Count	0
14020446	Covalent_Unit_Count	1
60196262	Mono_Isotopic_Weight	1266.73295702
360081	Hydrogen_Bond_Donor_Count	2
20129993	Rotatable_Bond_Count	3
9782	Rotatable_Bond_Count	2
130349042	Rotatable_Bond_Count	1
62852	TPSA	99.4
98043896	Non-hydrogen_Atom_Count	30
60196414	Undefined_Atom_Stereo_Count	2
9909202	Molecular_Weight	404.7
67375395	Hydrogen_Bond_Donor_Count	2
7843	Total_Formal_Charge	0
7400	Structure_Complexity	211
3033953	Hydrogen_Bond_Acceptor_Count	9
2633	TPSA	304
66991	Total_Formal_Charge	0
133938	Defined_Atom_Stereo_Count	0
124524089	TPSA	272
1256	XLogP3-AA	2.7
21702736	Undefined_Bond_Stereo_Count	0
56427	Defined_Atom_Stereo_Count	0
16654936	Exact_Mass	542.1853503
72732196	Hydrogen_Bond_Donor_Count	2
38668	Tautomer_Count	3
2568	Defined_Atom_Stereo_Count	0
20475566	TPSA	9.2
6294	Structure_Complexity	218
11651149	Structure_Complexity	45.6
134019	Undefined_Bond_Stereo_Count	0
9974756	Undefined_Atom_Stereo_Count	0
5830	Exact_Mass	178.05984080
21093784	Structure_Complexity	577
133687818	Isotope_Atom_Count	0
99798	Covalent_Unit_Count	1
27993	Hydrogen_Bond_Acceptor_Count	5
65974	Covalent_Unit_Count	1
132519	Undefined_Bond_Stereo_Count	0
123539309	Hydrogen_Bond_Donor_Count	0
164513337	Hydrogen_Bond_Acceptor_Count	6
23700188	Undefined_Atom_Stereo_Count	0
6251	Defined_Bond_Stereo_Count	0
7177	Non-hydrogen_Atom_Count	20
69862751	Undefined_Bond_Stereo_Count	0
87401	XLogP3-AA	3
44319	Hydrogen_Bond_Acceptor_Count	1
13408391	XLogP3-AA	3.3
60196316	Molecular_Weight	387.0
5318599	TPSA	20.2
41124	Non-hydrogen_Atom_Count	10
68478	Hydrogen_Bond_Acceptor_Count	2
10930	Hydrogen_Bond_Donor_Count	1
23725019	Total_Formal_Charge	0
92041	Hydrogen_Bond_Donor_Count	1
68986	Hydrogen_Bond_Donor_Count	1
569599	Mono_Isotopic_Weight	284.06194880
24743471	Rotatable_Bond_Count	3
12318317	Non-hydrogen_Atom_Count	10
24812721	Molecular_Weight	377.4
3028194	Defined_Bond_Stereo_Count	0
67505	Undefined_Bond_Stereo_Count	0
144546	Hydrogen_Bond_Acceptor_Count	0
86367	Undefined_Bond_Stereo_Count	0
112230	Defined_Atom_Stereo_Count	0
12523672	Undefined_Atom_Stereo_Count	2
6055792	Structure_Complexity	452
96356	Covalent_Unit_Count	1
54910	Mono_Isotopic_Weight	261.0556563
90728924	Defined_Bond_Stereo_Count	0
6918303	Defined_Atom_Stereo_Count	2
71985	Structure_Complexity	270
78759292	Undefined_Atom_Stereo_Count	1
66082	Total_Formal_Charge	0
3001028	Structure_Complexity	624
11769095	Defined_Bond_Stereo_Count	0
75633	TPSA	29.5
44279790	Undefined_Atom_Stereo_Count	1
5352133	Defined_Bond_Stereo_Count	0
94011387	Undefined_Bond_Stereo_Count	0
102146	Exact_Mass	316.240230259
70002683	Exact_Mass	98.036779430
102334657	XLogP3-AA	4
11534	Defined_Atom_Stereo_Count	0
193433	Hydrogen_Bond_Acceptor_Count	6
12102501	Undefined_Atom_Stereo_Count	0
12488467	Undefined_Bond_Stereo_Count	0
52893	Hydrogen_Bond_Acceptor_Count	2
903675	Undefined_Atom_Stereo_Count	0
4055279	Covalent_Unit_Count	1
16120191	Non-hydrogen_Atom_Count	13
456389	Defined_Bond_Stereo_Count	0
276224	Covalent_Unit_Count	1
57401370	Total_Formal_Charge	0
11126	Covalent_Unit_Count	1
6917866	Hydrogen_Bond_Acceptor_Count	4
11377211	Defined_Atom_Stereo_Count	6
154578334	Hydrogen_Bond_Donor_Count	2
20224712	Undefined_Atom_Stereo_Count	0
8491	Covalent_Unit_Count	1
69507	Rotatable_Bond_Count	7
147912	Undefined_Atom_Stereo_Count	1
129627734	Defined_Atom_Stereo_Count	17
23535	Defined_Bond_Stereo_Count	0
307976	Defined_Atom_Stereo_Count	0
88767	Molecular_Weight	355.3
9973981	Tautomer_Count	1
18356755	Defined_Atom_Stereo_Count	0
68604	Molecular_Weight	401.5
71245288	Isotope_Atom_Count	0
46228852	Total_Formal_Charge	0
24284832	Defined_Bond_Stereo_Count	0
297812	Molecular_Weight	319.26
10194504	Defined_Atom_Stereo_Count	1
240	Undefined_Bond_Stereo_Count	0
3702	Tautomer_Count	2
522446	Hydrogen_Bond_Acceptor_Count	1
27123	Rotatable_Bond_Count	7
61503	Defined_Bond_Stereo_Count	0
14965861	Defined_Bond_Stereo_Count	0
154169249	Undefined_Atom_Stereo_Count	2
12444299	Defined_Bond_Stereo_Count	0
6421834	Isotope_Atom_Count	0
9889867	XLogP3-AA	2.6
11804674	Mono_Isotopic_Weight	82.041864811
67534	Undefined_Bond_Stereo_Count	0
465951	Molecular_Weight	353.4
2734996	Mono_Isotopic_Weight	360.833646
134460917	TPSA	107
81653	Tautomer_Count	1
76192	Mono_Isotopic_Weight	203.9744848
91735	TPSA	51.2
10510831	TPSA	27
1544	Molecular_Weight	853.6
3081304	Defined_Bond_Stereo_Count	0
16136912	Structure_Complexity	3700
58853091	Exact_Mass	100.088815002
23663950	Covalent_Unit_Count	2
55560	Mono_Isotopic_Weight	554.33558719
176158	Molecular_Weight	371.2
24197462	Exact_Mass	397.060151
4994	XLogP3-AA	1
6993205	Rotatable_Bond_Count	3
163090688	XLogP3-AA	2.1
3080935	Isotope_Atom_Count	0
6442928	Defined_Bond_Stereo_Count	2
2922	Covalent_Unit_Count	1
13272656	Isotope_Atom_Count	0
705487	XLogP3-AA	4.4
141080616	Defined_Atom_Stereo_Count	0
17754111	Undefined_Bond_Stereo_Count	0
3017597	Tautomer_Count	2
11525116	Hydrogen_Bond_Donor_Count	2
44195064	Structure_Complexity	213
24825268	Isotope_Atom_Count	0
37968	Non-hydrogen_Atom_Count	29
725544	Isotope_Atom_Count	0
44661643	Molecular_Weight	665.7
57077346	Hydrogen_Bond_Donor_Count	0
222155	Mono_Isotopic_Weight	548.29853298
131728182	Defined_Atom_Stereo_Count	0
656652	Defined_Bond_Stereo_Count	0
102362828	Non-hydrogen_Atom_Count	41
16048613	Undefined_Bond_Stereo_Count	0
64644	Tautomer_Count	5
72402	Hydrogen_Bond_Acceptor_Count	6
144686955	TPSA	190
53627567	Defined_Atom_Stereo_Count	0
9831414	Hydrogen_Bond_Donor_Count	0
65647	Molecular_Weight	487.4
689739	Hydrogen_Bond_Acceptor_Count	2
129826870	Isotope_Atom_Count	0
60712	TPSA	114
81923	Defined_Atom_Stereo_Count	0
1289	Structure_Complexity	448
8090	TPSA	26.3
18373078	Exact_Mass	97.016378338
5738	Undefined_Bond_Stereo_Count	0
325086	Mono_Isotopic_Weight	114.031694049
544627	Hydrogen_Bond_Acceptor_Count	1
7043897	Structure_Complexity	151
16186582	TPSA	824
13786729	Non-hydrogen_Atom_Count	8
5363097	Exact_Mass	252.245315640
14789	Structure_Complexity	27.9
35525	Hydrogen_Bond_Donor_Count	0
120095	XLogP3-AA	1
90753032	Undefined_Bond_Stereo_Count	0
71586806	Hydrogen_Bond_Acceptor_Count	2
102258	Covalent_Unit_Count	1
63181514	Defined_Bond_Stereo_Count	0
13010228	Molecular_Weight	98.10
1424	Hydrogen_Bond_Donor_Count	2
83445	Tautomer_Count	5
21910271	Exact_Mass	223.04899890
40320	Defined_Bond_Stereo_Count	0
83909	Total_Formal_Charge	0
445929	Total_Formal_Charge	0
136093	Mono_Isotopic_Weight	97.089149355
9859093	Molecular_Weight	204.31
14269	Undefined_Bond_Stereo_Count	0
69942112	Mono_Isotopic_Weight	118.062994177
20787	Tautomer_Count	2
6418362	Molecular_Weight	287.32
441393	Hydrogen_Bond_Acceptor_Count	14
6917839	Total_Formal_Charge	0
43935	Total_Formal_Charge	0
32142	Exact_Mass	191.131014166
3878	Defined_Bond_Stereo_Count	0
60196385	Hydrogen_Bond_Donor_Count	0
67317342	Isotope_Atom_Count	0
5148195	Total_Formal_Charge	0
4845	Defined_Atom_Stereo_Count	0
70702306	Molecular_Weight	385.5
52931497	Hydrogen_Bond_Acceptor_Count	8
62708	Total_Formal_Charge	0
11389356	Hydrogen_Bond_Donor_Count	0
16130295	Mono_Isotopic_Weight	6507.0413833
291730	Hydrogen_Bond_Acceptor_Count	8
358641	Mono_Isotopic_Weight	543.19000284
18139	Hydrogen_Bond_Acceptor_Count	4
1317	Mono_Isotopic_Weight	172.193948774
62383	Structure_Complexity	57.6
6066	Defined_Bond_Stereo_Count	0
52914006	Hydrogen_Bond_Donor_Count	2
30479	Hydrogen_Bond_Acceptor_Count	5
21874242	Structure_Complexity	1720
8185	Hydrogen_Bond_Acceptor_Count	1
5277135	XLogP3-AA	5.3
129821645	Defined_Bond_Stereo_Count	0
3000226	Mono_Isotopic_Weight	516.34508925
66708	Hydrogen_Bond_Acceptor_Count	2
97035	Structure_Complexity	270
13463348	Total_Formal_Charge	0
413518	Defined_Atom_Stereo_Count	0
758641	Isotope_Atom_Count	0
413544	XLogP3-AA	3.2
6597	Exact_Mass	127.9431847
3609	Tautomer_Count	27
620984	Structure_Complexity	252
725300	Non-hydrogen_Atom_Count	20
4755801	Undefined_Atom_Stereo_Count	0
18622377	Defined_Bond_Stereo_Count	0
10909500	Defined_Bond_Stereo_Count	0
3430	Undefined_Bond_Stereo_Count	4
23378249	Non-hydrogen_Atom_Count	11
3539116	Mono_Isotopic_Weight	140.97752722
10066	Molecular_Weight	364.9
139073990	Structure_Complexity	415
5283731	TPSA	40.5
753053	Defined_Bond_Stereo_Count	0
78808	XLogP3-AA	1.7
21976318	XLogP3-AA	3.2
57394706	Defined_Atom_Stereo_Count	0
21940	Isotope_Atom_Count	0
11485687	Mono_Isotopic_Weight	376.10347683
72048	Total_Formal_Charge	0
71587288	Non-hydrogen_Atom_Count	33
135594347	Rotatable_Bond_Count	5
8482	Mono_Isotopic_Weight	214.04121336
75516	Undefined_Atom_Stereo_Count	0
85294873	Hydrogen_Bond_Acceptor_Count	2
57286318	Defined_Atom_Stereo_Count	0
564980	XLogP3-AA	0.7
9927988	Exact_Mass	342.11621151
53235510	Undefined_Bond_Stereo_Count	0
65211	Molecular_Weight	443.6
17110	Structure_Complexity	194
48889	Hydrogen_Bond_Donor_Count	0
2724411	Defined_Bond_Stereo_Count	0
43366	Hydrogen_Bond_Acceptor_Count	2
15402	Defined_Atom_Stereo_Count	0
4841	Hydrogen_Bond_Donor_Count	1
13519	Undefined_Atom_Stereo_Count	1
6918293	Isotope_Atom_Count	0
10271170	Total_Formal_Charge	0
24086	Hydrogen_Bond_Acceptor_Count	5
156391	Isotope_Atom_Count	0
59970187	Undefined_Bond_Stereo_Count	0
64930	Hydrogen_Bond_Donor_Count	2
14187216	TPSA	83.6
91801202	Undefined_Atom_Stereo_Count	0
23554324	Hydrogen_Bond_Donor_Count	2
2723854	Structure_Complexity	877
10002900	XLogP3-AA	2.4
2370	Molecular_Weight	161.22
18598488	Covalent_Unit_Count	1
24180717	TPSA	68.7
86834	Isotope_Atom_Count	0
53001	Hydrogen_Bond_Donor_Count	1
11562233	Defined_Atom_Stereo_Count	0
23665765	Defined_Atom_Stereo_Count	0
54421	Non-hydrogen_Atom_Count	27
1277665	Structure_Complexity	96.3
33934	Non-hydrogen_Atom_Count	28
198791	Molecular_Weight	293.12
58305	Defined_Atom_Stereo_Count	0
656823	Defined_Bond_Stereo_Count	0
1413	Non-hydrogen_Atom_Count	23
10560335	Mono_Isotopic_Weight	208.0767261
85920	Defined_Bond_Stereo_Count	0
5212856	Non-hydrogen_Atom_Count	20
144946255	Rotatable_Bond_Count	1
461666	Exact_Mass	384.13213636
11137101	Undefined_Atom_Stereo_Count	0
23724962	Mono_Isotopic_Weight	286.0832680
126514322	Covalent_Unit_Count	1
5281607	Structure_Complexity	384
11326613	Hydrogen_Bond_Acceptor_Count	4
13613	Hydrogen_Bond_Acceptor_Count	3
74038637	Exact_Mass	100.100048391
68028	Undefined_Atom_Stereo_Count	0
33958	Hydrogen_Bond_Donor_Count	2
55604	Hydrogen_Bond_Acceptor_Count	7
5152	Undefined_Atom_Stereo_Count	1
64017	Structure_Complexity	412
31364	Hydrogen_Bond_Acceptor_Count	4
41967	Undefined_Atom_Stereo_Count	2
11499	Defined_Atom_Stereo_Count	0
93680	TPSA	98.7
3520	Hydrogen_Bond_Donor_Count	3
12867435	Non-hydrogen_Atom_Count	7
10162630	Molecular_Weight	477.0
28993	Isotope_Atom_Count	0
5047209	Undefined_Bond_Stereo_Count	0
89578803	Undefined_Atom_Stereo_Count	3
156907991	Covalent_Unit_Count	2
54679016	Mono_Isotopic_Weight	373.22530847
78484	Hydrogen_Bond_Acceptor_Count	1
124510	Non-hydrogen_Atom_Count	7
130026523	TPSA	17.1
90853172	Isotope_Atom_Count	0
54685524	Rotatable_Bond_Count	5
66036956	Isotope_Atom_Count	0
168365	Non-hydrogen_Atom_Count	2
9403	Isotope_Atom_Count	0
449101	Undefined_Bond_Stereo_Count	0
80108978	Molecular_Weight	112.13
9885442	Undefined_Atom_Stereo_Count	0
71884	XLogP3	2.8
16900	Rotatable_Bond_Count	5
94308	Undefined_Bond_Stereo_Count	0
403829	Defined_Bond_Stereo_Count	0
130121992	Hydrogen_Bond_Acceptor_Count	3
19648	TPSA	922
7777	Covalent_Unit_Count	1
5310969	Undefined_Bond_Stereo_Count	0
5903	Exact_Mass	570.25120612
6918242	Total_Formal_Charge	0
5784745	Molecular_Weight	247.3
25099474	Exact_Mass	361.13388831
70637	Total_Formal_Charge	0
53316474	Rotatable_Bond_Count	7
21749233	Covalent_Unit_Count	1
20517187	Isotope_Atom_Count	0
2778763	Defined_Bond_Stereo_Count	0
121207282	Defined_Bond_Stereo_Count	0
9908684	Tautomer_Count	1
15559221	XLogP3-AA	2.7
3610	Rotatable_Bond_Count	5
22061628	Defined_Bond_Stereo_Count	0
6604333	Isotope_Atom_Count	0
87323627	Non-hydrogen_Atom_Count	8
81080	Isotope_Atom_Count	0
84	Structure_Complexity	1610
69462477	Defined_Atom_Stereo_Count	0
101925253	XLogP3-AA	8.6
16666	Covalent_Unit_Count	1
122449120	Hydrogen_Bond_Acceptor_Count	2
3058839	Non-hydrogen_Atom_Count	19
24884488	Defined_Bond_Stereo_Count	0
138813	Exact_Mass	96.057514874
86222	Mono_Isotopic_Weight	411.0364312
19426425	Undefined_Atom_Stereo_Count	0
163613625	Non-hydrogen_Atom_Count	7
21972427	Hydrogen_Bond_Acceptor_Count	2
5702049	Undefined_Bond_Stereo_Count	0
95295	Molecular_Weight	156.01
131999	Defined_Bond_Stereo_Count	0
49597	Hydrogen_Bond_Acceptor_Count	5
5362858	Covalent_Unit_Count	1
44427888	Non-hydrogen_Atom_Count	50
51030053	Total_Formal_Charge	0
5173	Exact_Mass	204.11100700
11783895	Undefined_Bond_Stereo_Count	0
61081	Isotope_Atom_Count	0
11454753	Total_Formal_Charge	0
13326679	Hydrogen_Bond_Donor_Count	1
140377273	Undefined_Atom_Stereo_Count	0
60207729	Molecular_Weight	113.08
456199	Undefined_Bond_Stereo_Count	0
11979741	Molecular_Weight	1448.7
637969	Hydrogen_Bond_Acceptor_Count	0
121235530	Structure_Complexity	7640
10309899	Defined_Bond_Stereo_Count	0
203329	Undefined_Atom_Stereo_Count	0
894295	Defined_Atom_Stereo_Count	1
219050	Exact_Mass	346.204513457
3854666	Rotatable_Bond_Count	2
23724963	Undefined_Atom_Stereo_Count	0
22788210	Defined_Bond_Stereo_Count	0
441393	Structure_Complexity	976
2723	XLogP3	2
134694648	Rotatable_Bond_Count	9
6918483	Hydrogen_Bond_Acceptor_Count	5
44342925	TPSA	23.5
17694	Rotatable_Bond_Count	5
5227	Hydrogen_Bond_Acceptor_Count	3
25246317	Defined_Atom_Stereo_Count	12
2800	Exact_Mass	405.1859422
31068	Mono_Isotopic_Weight	365.0585488
6617	XLogP3-AA	1.8
824657	Total_Formal_Charge	0
1712088	Defined_Bond_Stereo_Count	0
62705687	Defined_Atom_Stereo_Count	0
94972	Rotatable_Bond_Count	3
5224206	Hydrogen_Bond_Donor_Count	0
13973072	Covalent_Unit_Count	1
117890905	Structure_Complexity	113
216208	Mono_Isotopic_Weight	505.26890461
98207156	Defined_Bond_Stereo_Count	0
14964043	Non-hydrogen_Atom_Count	7
11400746	Hydrogen_Bond_Acceptor_Count	3
56640146	TPSA	113
15736732	Defined_Atom_Stereo_Count	7
59966641	Total_Formal_Charge	0
40438	Structure_Complexity	330
13764	Total_Formal_Charge	0
13037934	Isotope_Atom_Count	0
18484	Hydrogen_Bond_Acceptor_Count	4
57448808	Structure_Complexity	139
66254	TPSA	63.3
46244883	Molecular_Weight	424.5
135451156	Mono_Isotopic_Weight	245.09127461
3662392	Defined_Bond_Stereo_Count	0
5311169	Non-hydrogen_Atom_Count	96
3053755	Defined_Bond_Stereo_Count	0
23730921	Mono_Isotopic_Weight	203.105862047
12959091	Mono_Isotopic_Weight	99.068413911
72200671	Defined_Atom_Stereo_Count	3
104933	Hydrogen_Bond_Donor_Count	1
123392765	Exact_Mass	363.19467705
160722	Covalent_Unit_Count	1
14143522	Defined_Bond_Stereo_Count	0
44310775	Defined_Atom_Stereo_Count	2
44149909	Undefined_Bond_Stereo_Count	0
656587	Covalent_Unit_Count	2
17111	Defined_Bond_Stereo_Count	0
60155459	Isotope_Atom_Count	0
34870	Isotope_Atom_Count	0
135214	Covalent_Unit_Count	1
60196294	Defined_Bond_Stereo_Count	0
20685	Defined_Bond_Stereo_Count	0
21306027	Rotatable_Bond_Count	1
20531373	Structure_Complexity	72.9
141738	Non-hydrogen_Atom_Count	7
168871	XLogP3-AA	2.7
155293383	Molecular_Weight	877.0
75496	Rotatable_Bond_Count	4
26108	Covalent_Unit_Count	3
10011870	Total_Formal_Charge	0
4339626	Molecular_Weight	101.19
5482	Defined_Atom_Stereo_Count	0
79043	Structure_Complexity	146
76539	Covalent_Unit_Count	1
6452419	Molecular_Weight	322.9
24085	Isotope_Atom_Count	0
160617	Hydrogen_Bond_Donor_Count	6
78035	Molecular_Weight	83.09
90997437	Rotatable_Bond_Count	6
3014106	Exact_Mass	112.052429494
135761165	Hydrogen_Bond_Donor_Count	4
108032	Isotope_Atom_Count	0
3589	XLogP3-AA	4.3
7551	Tautomer_Count	2
77067	Covalent_Unit_Count	2
54728506	Total_Formal_Charge	0
54289557	Mono_Isotopic_Weight	132.115029749
57190391	Covalent_Unit_Count	1
522062	Total_Formal_Charge	0
220	Molecular_Weight	261.28
4621	Total_Formal_Charge	0
65981	Undefined_Bond_Stereo_Count	0
59809	Undefined_Atom_Stereo_Count	0
2787	Hydrogen_Bond_Acceptor_Count	6
14294904	Covalent_Unit_Count	1
24721356	Tautomer_Count	970
11415	Covalent_Unit_Count	1
356063	Mono_Isotopic_Weight	130.062994177
519247	XLogP3-AA	1.1
27923	Structure_Complexity	90.6
62719	TPSA	31
32582	Hydrogen_Bond_Acceptor_Count	2
105039	Structure_Complexity	198
18137	Structure_Complexity	134
14798	Defined_Bond_Stereo_Count	0
14140758	Total_Formal_Charge	0
3033825	Tautomer_Count	9
14041489	Undefined_Atom_Stereo_Count	2
82148	Molecular_Weight	243.30
12720	Undefined_Atom_Stereo_Count	0
22321577	Covalent_Unit_Count	1
311434	Undefined_Bond_Stereo_Count	0
4731	Non-hydrogen_Atom_Count	24
26888	Undefined_Atom_Stereo_Count	0
233552	Rotatable_Bond_Count	4
2735107	Defined_Atom_Stereo_Count	0
6093219	Rotatable_Bond_Count	9
11967617	Defined_Bond_Stereo_Count	0
12507028	XLogP3-AA	1.4
123215474	Defined_Bond_Stereo_Count	0
135430945	Total_Formal_Charge	0
12961638	Hydrogen_Bond_Acceptor_Count	5
9016	TPSA	18.5
439544	Rotatable_Bond_Count	6
12909725	Hydrogen_Bond_Donor_Count	0
62325	Exact_Mass	106.0185425
5371102	TPSA	46.5
69640	Undefined_Bond_Stereo_Count	0
18952325	Defined_Bond_Stereo_Count	0
137184495	Covalent_Unit_Count	1
18999022	Exact_Mass	99.104799419
20782632	Undefined_Bond_Stereo_Count	0
71733	Molecular_Weight	261.36
469	Covalent_Unit_Count	1
423375	Molecular_Weight	171.27
4017	Undefined_Atom_Stereo_Count	15
107502	Hydrogen_Bond_Donor_Count	3
46931005	Isotope_Atom_Count	0
79882	Covalent_Unit_Count	1
60651	Hydrogen_Bond_Acceptor_Count	9
71880	Hydrogen_Bond_Donor_Count	2
59295958	Isotope_Atom_Count	0
67944215	Undefined_Atom_Stereo_Count	1
4745	Total_Formal_Charge	0
11592	Covalent_Unit_Count	1
7456	Defined_Atom_Stereo_Count	0
6042	Covalent_Unit_Count	2
24083	Total_Formal_Charge	0
86248095	Hydrogen_Bond_Donor_Count	1
9941379	Covalent_Unit_Count	1
908	Defined_Bond_Stereo_Count	0
123316507	Mono_Isotopic_Weight	1201.84136802
22875828	Tautomer_Count	2
139586083	Hydrogen_Bond_Donor_Count	16
6659	Isotope_Atom_Count	0
285725	Defined_Atom_Stereo_Count	0
25323	Tautomer_Count	19
2370	TPSA	52.3
226057	Covalent_Unit_Count	1
52343	Molecular_Weight	289.25
119096545	Hydrogen_Bond_Acceptor_Count	2
6365	Hydrogen_Bond_Acceptor_Count	0
616172	Undefined_Atom_Stereo_Count	0
51174	Structure_Complexity	623
6327869	Hydrogen_Bond_Acceptor_Count	1
6498	Mono_Isotopic_Weight	118.00885060
950975	Isotope_Atom_Count	0
285886	Molecular_Weight	284.3
6956324	Hydrogen_Bond_Acceptor_Count	3
76403	Mono_Isotopic_Weight	207.924948
87428	Structure_Complexity	143
22833295	Undefined_Atom_Stereo_Count	0
539121	Hydrogen_Bond_Donor_Count	1
6485793	Total_Formal_Charge	0
15786916	Mono_Isotopic_Weight	60.012887157
7301	Mono_Isotopic_Weight	86.073164938
13334303	Non-hydrogen_Atom_Count	8
904858	Covalent_Unit_Count	1
161930	Hydrogen_Bond_Donor_Count	2
12933763	Hydrogen_Bond_Acceptor_Count	1
95295	Defined_Bond_Stereo_Count	0
60196384	Isotope_Atom_Count	0
48448	Total_Formal_Charge	0
6918493	Hydrogen_Bond_Acceptor_Count	6
24958528	Structure_Complexity	757
71308614	Hydrogen_Bond_Donor_Count	11
76451	Rotatable_Bond_Count	6
54677971	Defined_Atom_Stereo_Count	0
54278701	XLogP3-AA	2.5
6025	Structure_Complexity	276
86439	Exact_Mass	433.0539994
123558404	Structure_Complexity	88.1
60374	Undefined_Bond_Stereo_Count	0
69912	Covalent_Unit_Count	1
58468	Undefined_Bond_Stereo_Count	0
86882	TPSA	26.3
562176	XLogP3-AA	2.8
89155	XLogP3-AA	2.7
18681973	TPSA	61.4
95652	Undefined_Atom_Stereo_Count	1
2813772	Rotatable_Bond_Count	3
3939	Non-hydrogen_Atom_Count	2
25023837	Molecular_Weight	430.8
168707	Hydrogen_Bond_Acceptor_Count	4
32485	Non-hydrogen_Atom_Count	10
55294	Non-hydrogen_Atom_Count	18
13067931	Mono_Isotopic_Weight	106.053098200
131204	Hydrogen_Bond_Donor_Count	4
12200749	Mono_Isotopic_Weight	96.068748264
1553	Non-hydrogen_Atom_Count	20
443003	Non-hydrogen_Atom_Count	13
6278	Mono_Isotopic_Weight	131.930033
89669330	Structure_Complexity	382
3036261	Non-hydrogen_Atom_Count	14
53314962	Rotatable_Bond_Count	4
159247	Mono_Isotopic_Weight	185.0374194
91810695	Mono_Isotopic_Weight	976.3034938
158726884	Molecular_Weight	108.14
89422816	Structure_Complexity	67.4
70545463	Non-hydrogen_Atom_Count	7
444514	Isotope_Atom_Count	0
4128060	Defined_Bond_Stereo_Count	0
69391	Defined_Bond_Stereo_Count	0
120741	Hydrogen_Bond_Donor_Count	1
140638754	Hydrogen_Bond_Acceptor_Count	1
71584165	Total_Formal_Charge	0
516919	Rotatable_Bond_Count	0
66587032	Non-hydrogen_Atom_Count	29
18952630	Defined_Atom_Stereo_Count	0
73272	Hydrogen_Bond_Donor_Count	2
5486209	Undefined_Atom_Stereo_Count	0
4438527	Hydrogen_Bond_Acceptor_Count	21
53954226	Hydrogen_Bond_Acceptor_Count	2
40898	Non-hydrogen_Atom_Count	8
16050553	TPSA	67.9
21694910	Defined_Bond_Stereo_Count	0
21162823	Hydrogen_Bond_Donor_Count	2
14585548	Rotatable_Bond_Count	0
91826482	Hydrogen_Bond_Acceptor_Count	9
83322	TPSA	97.6
3705	Defined_Bond_Stereo_Count	0
135413554	Covalent_Unit_Count	1
58550573	Undefined_Atom_Stereo_Count	0
25116191	Structure_Complexity	507
277	Defined_Bond_Stereo_Count	0
15188270	XLogP3-AA	0.6
156591873	Non-hydrogen_Atom_Count	45
135398627	Defined_Atom_Stereo_Count	9
71459864	Covalent_Unit_Count	2
16197730	Exact_Mass	1944.87636988
13485108	Non-hydrogen_Atom_Count	8
9556	Defined_Bond_Stereo_Count	0
22644568	XLogP3-AA	3.6
104798	Structure_Complexity	0
71451390	Rotatable_Bond_Count	8
61529	Hydrogen_Bond_Donor_Count	1
14523483	Structure_Complexity	374
439504	Mono_Isotopic_Weight	915.51914999
44193577	Exact_Mass	399.11946125
61384	Non-hydrogen_Atom_Count	16
161272	Isotope_Atom_Count	0
20072996	Undefined_Bond_Stereo_Count	0
5174	XLogP3	3.7
4639	Defined_Atom_Stereo_Count	0
70215286	Undefined_Atom_Stereo_Count	2
99143	Total_Formal_Charge	0
12432039	Rotatable_Bond_Count	0
54676228	Rotatable_Bond_Count	2
54370822	Defined_Bond_Stereo_Count	0
44427236	Defined_Atom_Stereo_Count	0
139142290	Molecular_Weight	925.2
11651149	TPSA	26
33353	Rotatable_Bond_Count	5
55288429	Hydrogen_Bond_Donor_Count	1
87820	Non-hydrogen_Atom_Count	13
5942099	Undefined_Bond_Stereo_Count	0
23670774	Undefined_Bond_Stereo_Count	0
84361	Exact_Mass	308.11160159
91753565	Molecular_Weight	204.35
5287705	Undefined_Atom_Stereo_Count	0
70696332	Undefined_Bond_Stereo_Count	0
15808	Isotope_Atom_Count	0
156599083	Defined_Bond_Stereo_Count	1
13863534	Defined_Atom_Stereo_Count	0
117190135	TPSA	61.3
131664126	Covalent_Unit_Count	7
4884	Exact_Mass	137.071487915
137651	XLogP3-AA	2
2092	Hydrogen_Bond_Acceptor_Count	8
66124	Defined_Atom_Stereo_Count	1
18947655	Defined_Atom_Stereo_Count	0
16665100	Exact_Mass	461.23145648
10470290	Defined_Atom_Stereo_Count	0
44609163	XLogP3-AA	2.6
15566028	Hydrogen_Bond_Donor_Count	2
928	Total_Formal_Charge	0
5054	Mono_Isotopic_Weight	110.036779430
4369413	Hydrogen_Bond_Donor_Count	1
171284	Total_Formal_Charge	0
9839519	XLogP3-AA	4.2
17778639	Isotope_Atom_Count	0
159563	Total_Formal_Charge	0
14296	XLogP3	1.3
139020	Undefined_Bond_Stereo_Count	0
94948	Exact_Mass	253.03750770
13804427	Hydrogen_Bond_Donor_Count	1
10614	Structure_Complexity	196
76564	Hydrogen_Bond_Donor_Count	0
64973730	Hydrogen_Bond_Donor_Count	2
492405	Total_Formal_Charge	0
33038	Rotatable_Bond_Count	17
71458869	Non-hydrogen_Atom_Count	34
667497	Hydrogen_Bond_Acceptor_Count	2
71622385	XLogP3-AA	1.3
57674785	Non-hydrogen_Atom_Count	8
90990	Non-hydrogen_Atom_Count	7
11462546	Non-hydrogen_Atom_Count	26
25006687	Hydrogen_Bond_Donor_Count	2
11418	Covalent_Unit_Count	1
123314224	Isotope_Atom_Count	0
90352849	Defined_Atom_Stereo_Count	0
439568	Covalent_Unit_Count	1
1052	Rotatable_Bond_Count	2
17321	XLogP3	5.2
5361250	Hydrogen_Bond_Acceptor_Count	5
16154396	Hydrogen_Bond_Acceptor_Count	22
90078	Undefined_Bond_Stereo_Count	0
59844561	Molecular_Weight	547.6
14299310	TPSA	46.2
8177	XLogP3	0.6
137075	TPSA	15.8
85515	Hydrogen_Bond_Acceptor_Count	3
15570483	Molecular_Weight	94.15
47576	XLogP3	4.3
21324831	Defined_Atom_Stereo_Count	0
9275	Total_Formal_Charge	0
129722292	Defined_Atom_Stereo_Count	0
15940170	Exact_Mass	474.17390455
52914324	Isotope_Atom_Count	0
135554441	Defined_Atom_Stereo_Count	3
73167270	Exact_Mass	113.084063974
13218779	Total_Formal_Charge	0
159678	Molecular_Weight	324.27
101938021	TPSA	46.5
10301	Defined_Bond_Stereo_Count	0
12580	Covalent_Unit_Count	1
8110	Defined_Bond_Stereo_Count	0
6917728	Hydrogen_Bond_Acceptor_Count	4
551	Rotatable_Bond_Count	4
13140195	Defined_Atom_Stereo_Count	0
4011971	Undefined_Bond_Stereo_Count	0
168625	Rotatable_Bond_Count	2
19041	Isotope_Atom_Count	0
54584775	Exact_Mass	291.13830499
443958	Non-hydrogen_Atom_Count	36
91248258	TPSA	47.3
447077	TPSA	83.4
1476679	Isotope_Atom_Count	0
5282209	TPSA	120
104163	Exact_Mass	230.21066147
13356397	Hydrogen_Bond_Donor_Count	0
24199050	Covalent_Unit_Count	1
130122663	Structure_Complexity	163
5839	TPSA	91.7
111509	Defined_Bond_Stereo_Count	0
11420409	Mono_Isotopic_Weight	488.13498116
156592059	Molecular_Weight	895.9
67543	Hydrogen_Bond_Acceptor_Count	16
120508	Rotatable_Bond_Count	7
694728	Defined_Bond_Stereo_Count	1
6109	Hydrogen_Bond_Acceptor_Count	10
24762165	Undefined_Atom_Stereo_Count	0
60196286	Exact_Mass	328.10056145
575893	TPSA	59.3
40024	Mono_Isotopic_Weight	296.12598835
87671446	Exact_Mass	112.027277375
6917852	Mono_Isotopic_Weight	662.0800515
129009859	TPSA	145
16278	Defined_Atom_Stereo_Count	0
20054964	Rotatable_Bond_Count	12
92855	Covalent_Unit_Count	1
50993726	Rotatable_Bond_Count	6
6850789	Molecular_Weight	501.98
181887	TPSA	13.1
10462	Undefined_Atom_Stereo_Count	0
13643838	Non-hydrogen_Atom_Count	8
77918	Structure_Complexity	130
18363526	Molecular_Weight	114.14
10701	Total_Formal_Charge	0
7065	XLogP3-AA	5.7
16667711	Covalent_Unit_Count	1
54586720	Total_Formal_Charge	0
28183	Molecular_Weight	316.22
159384	Isotope_Atom_Count	0
267493	Covalent_Unit_Count	1
89735852	Covalent_Unit_Count	1
95162413	Mono_Isotopic_Weight	342.11621151
9330	Covalent_Unit_Count	1
71697	Exact_Mass	304.0866221
456557	Isotope_Atom_Count	0
18984521	Defined_Bond_Stereo_Count	0
4614	Covalent_Unit_Count	1
10258195	Non-hydrogen_Atom_Count	43
6392641	Non-hydrogen_Atom_Count	48
57369411	Hydrogen_Bond_Acceptor_Count	16
63079	Undefined_Bond_Stereo_Count	0
80618	TPSA	157
12950123	Non-hydrogen_Atom_Count	7
124201874	Isotope_Atom_Count	0
77533	Undefined_Bond_Stereo_Count	0
21578704	Exact_Mass	330.15795719
18381562	TPSA	53.6
403646	Non-hydrogen_Atom_Count	20
20831	Tautomer_Count	1
546259	Defined_Atom_Stereo_Count	0
85570	Covalent_Unit_Count	1
5288453	Mono_Isotopic_Weight	488.12131415
22451318	Hydrogen_Bond_Acceptor_Count	2
498716	Undefined_Bond_Stereo_Count	0
570605	Mono_Isotopic_Weight	106.053098200
51102	Defined_Atom_Stereo_Count	0
68718	TPSA	193
8371	Exact_Mass	245.862290
3167	TPSA	37.3
12344797	Rotatable_Bond_Count	1
33567	Structure_Complexity	2
42521	Non-hydrogen_Atom_Count	29
129633772	Exact_Mass	342.11621151
24478	TPSA	98
25778	Structure_Complexity	314
67631	Tautomer_Count	1
98626	Hydrogen_Bond_Donor_Count	1
219625	Non-hydrogen_Atom_Count	8
12707110	Rotatable_Bond_Count	0
5709	Total_Formal_Charge	0
123555270	Total_Formal_Charge	0
18469536	TPSA	177
9579578	Defined_Atom_Stereo_Count	1
5323977	Structure_Complexity	152
97252	Rotatable_Bond_Count	0
89158693	Molecular_Weight	110.15
14888	Defined_Atom_Stereo_Count	0
91399390	Isotope_Atom_Count	0
15565266	Hydrogen_Bond_Donor_Count	2
162639137	Total_Formal_Charge	0
23260879	Total_Formal_Charge	0
68741	Mono_Isotopic_Weight	399.27734404
70989	Undefined_Bond_Stereo_Count	0
68226	Exact_Mass	335.89723
57485872	Non-hydrogen_Atom_Count	8
5323606	Molecular_Weight	96.13
88771736	Undefined_Atom_Stereo_Count	0
726370	Mono_Isotopic_Weight	322.17149925
135564558	Undefined_Atom_Stereo_Count	0
91612	Covalent_Unit_Count	1
118248246	Molecular_Weight	108.10
5284557	Hydrogen_Bond_Acceptor_Count	2
70128954	Undefined_Bond_Stereo_Count	0
118052411	TPSA	190
91464	Covalent_Unit_Count	1
3711576	Molecular_Weight	293.44
12456453	Hydrogen_Bond_Acceptor_Count	3
57537	Isotope_Atom_Count	0
117717938	Undefined_Bond_Stereo_Count	0
5351279	TPSA	7.8
243556	Defined_Atom_Stereo_Count	0
6518103	Non-hydrogen_Atom_Count	23
1340	Covalent_Unit_Count	1
9447938	Undefined_Bond_Stereo_Count	0
7945	XLogP3-AA	1.7
518874	Hydrogen_Bond_Acceptor_Count	0
59961798	XLogP3-AA	3
84354	Tautomer_Count	3
18934227	Exact_Mass	99.032028402
11634725	Molecular_Weight	500.3
3002120	Mono_Isotopic_Weight	702.29817356
7669	Total_Formal_Charge	0
8305	Covalent_Unit_Count	1
6918160	Tautomer_Count	1
179334	TPSA	60.9
11539562	Structure_Complexity	722
564890	Exact_Mass	291.100776666
529279	XLogP3-AA	3.3
186148	Undefined_Atom_Stereo_Count	0
11241	Isotope_Atom_Count	0
71644	Non-hydrogen_Atom_Count	19
20294925	XLogP3	0.3
45934213	Defined_Atom_Stereo_Count	8
5376979	Structure_Complexity	305
92727	Hydrogen_Bond_Acceptor_Count	5
21460	Total_Formal_Charge	0
22505043	Covalent_Unit_Count	1
11787	TPSA	20.2
13393280	Mono_Isotopic_Weight	104.094963011
4495	XLogP3	2.6
12284127	Mono_Isotopic_Weight	116.083729621
80108693	Rotatable_Bond_Count	1
123422	Mono_Isotopic_Weight	148.074896272
3033821	Hydrogen_Bond_Donor_Count	0
129893980	Defined_Bond_Stereo_Count	0
193994	TPSA	33.6
12389638	Hydrogen_Bond_Acceptor_Count	0
85805628	Structure_Complexity	122
70355	Tautomer_Count	1
13707457	Hydrogen_Bond_Donor_Count	0
1504	TPSA	98.8
6328144	Defined_Atom_Stereo_Count	0
92386	TPSA	35.5
53782318	TPSA	17.1
556035	Undefined_Atom_Stereo_Count	2
142383	Defined_Atom_Stereo_Count	0
59567216	Covalent_Unit_Count	1
31842	Rotatable_Bond_Count	5
5903	Structure_Complexity	752
86446	TPSA	68.8
25183872	Covalent_Unit_Count	1
44264589	Covalent_Unit_Count	1
3272524	Exact_Mass	336.01645516
798232	Non-hydrogen_Atom_Count	24
40602794	Defined_Atom_Stereo_Count	1
91670	XLogP3	4.2
24180717	Undefined_Atom_Stereo_Count	0
11225217	Total_Formal_Charge	0
13404	Mono_Isotopic_Weight	173.9639201
213049	Non-hydrogen_Atom_Count	33
9926621	Non-hydrogen_Atom_Count	23
67278	Structure_Complexity	187
123919	Structure_Complexity	163
87329230	Defined_Bond_Stereo_Count	0
16490	Undefined_Atom_Stereo_Count	0
545093	Rotatable_Bond_Count	1
9910975	Exact_Mass	436.9977429
12835187	Undefined_Bond_Stereo_Count	0
65919	Non-hydrogen_Atom_Count	23
1000	Mono_Isotopic_Weight	137.084063974
54151808	Undefined_Bond_Stereo_Count	0
1480	Molecular_Weight	255.5
59819	Undefined_Atom_Stereo_Count	1
10047003	Non-hydrogen_Atom_Count	28
41839	Structure_Complexity	449
77342	Total_Formal_Charge	0
940892	Covalent_Unit_Count	1
34154	Non-hydrogen_Atom_Count	17
3746	Hydrogen_Bond_Acceptor_Count	3
151275184	Undefined_Atom_Stereo_Count	2
441328	Hydrogen_Bond_Acceptor_Count	7
3033056	Structure_Complexity	122
6918286	Total_Formal_Charge	1
15561101	Molecular_Weight	172.18
2724103	Molecular_Weight	155.15
12217061	Exact_Mass	97.063997236
169952	Total_Formal_Charge	0
18393	Covalent_Unit_Count	1
439520	XLogP3-AA	3.6
5232423	Hydrogen_Bond_Acceptor_Count	3
8142	Structure_Complexity	43.8
68226	Defined_Atom_Stereo_Count	0
9548661	Defined_Atom_Stereo_Count	10
61205	Defined_Bond_Stereo_Count	0
2756	Hydrogen_Bond_Acceptor_Count	4
71587288	Defined_Bond_Stereo_Count	0
19211	Exact_Mass	164.083729621
7066	Mono_Isotopic_Weight	261.12996879
130443288	Structure_Complexity	2330
14741640	Undefined_Bond_Stereo_Count	0
18852	Hydrogen_Bond_Donor_Count	0
54075	Total_Formal_Charge	0
54303301	Hydrogen_Bond_Donor_Count	0
65823	TPSA	23.5
6604413	Mono_Isotopic_Weight	337.24393591
44426760	Total_Formal_Charge	0
55289397	Non-hydrogen_Atom_Count	7
11743862	Undefined_Bond_Stereo_Count	0
60870	Mono_Isotopic_Weight	420.11437830
19259	Total_Formal_Charge	0
31254	Hydrogen_Bond_Donor_Count	1
130804	Defined_Bond_Stereo_Count	0
4684505	Exact_Mass	338.08668395
101176453	Non-hydrogen_Atom_Count	75
112	Molecular_Weight	213.06
6326976	Mono_Isotopic_Weight	143.93774716
36273	Rotatable_Bond_Count	3
55300430	Structure_Complexity	155
9839243	Undefined_Atom_Stereo_Count	0
31493	Covalent_Unit_Count	1
3790	Covalent_Unit_Count	1
2228691	Hydrogen_Bond_Acceptor_Count	5
138231	Total_Formal_Charge	0
81592	Hydrogen_Bond_Acceptor_Count	2
68840	Undefined_Atom_Stereo_Count	0
10457387	Structure_Complexity	462
3032282	Rotatable_Bond_Count	40
10855407	TPSA	20.3
25588	Defined_Bond_Stereo_Count	0
217842	Mono_Isotopic_Weight	313.99188038
134692587	Exact_Mass	861.50858530
96386	Exact_Mass	214.229665576
91936863	Structure_Complexity	1840
135476770	Hydrogen_Bond_Donor_Count	6
521300	Structure_Complexity	49.5
11660	Molecular_Weight	112.98
15992306	Covalent_Unit_Count	1
11378723	Hydrogen_Bond_Donor_Count	0
57590	Total_Formal_Charge	0
25058183	Mono_Isotopic_Weight	370.1327168
659218	Defined_Bond_Stereo_Count	0
69089	XLogP3-AA	1.9
10899282	Defined_Atom_Stereo_Count	4
24360	Mono_Isotopic_Weight	348.11100700
7401	Defined_Atom_Stereo_Count	0
315201	Molecular_Weight	112.13
11750474	Exact_Mass	419.04081729
8594	Defined_Bond_Stereo_Count	0
347590	Mono_Isotopic_Weight	180.07211956
57484773	Molecular_Weight	94.15
61111	Exact_Mass	201.9375462
454647	Defined_Bond_Stereo_Count	0
25217475	Total_Formal_Charge	0
3058751	Rotatable_Bond_Count	5
7401	Rotatable_Bond_Count	2
9985579	Rotatable_Bond_Count	11
61508	Undefined_Atom_Stereo_Count	0
121639	Rotatable_Bond_Count	11
101731271	Undefined_Bond_Stereo_Count	0
1207	Total_Formal_Charge	0
24764418	Molecular_Weight	609.5
40973	Total_Formal_Charge	0
18757800	Total_Formal_Charge	0
69676	Structure_Complexity	77
66487	Tautomer_Count	30
62781	Molecular_Weight	149.66
89908	Total_Formal_Charge	0
153834924	Molecular_Weight	98.10
5280460	Molecular_Weight	192.17
8223	Hydrogen_Bond_Donor_Count	3
57395447	Defined_Bond_Stereo_Count	0
6433951	Tautomer_Count	3
8501	Exact_Mass	173.9639201
5780	Hydrogen_Bond_Donor_Count	6
518818	Non-hydrogen_Atom_Count	8
18736159	Non-hydrogen_Atom_Count	8
13118	Tautomer_Count	3
3042	XLogP3-AA	5.5
59968312	Rotatable_Bond_Count	0
6364548	Total_Formal_Charge	0
200424	Tautomer_Count	1
21847	Mono_Isotopic_Weight	362.199428076
4293	Exact_Mass	337.95234150
19705594	Defined_Atom_Stereo_Count	0
155977656	Hydrogen_Bond_Acceptor_Count	10
130054486	Covalent_Unit_Count	1
25014810	Exact_Mass	277.13274550
688297	Mono_Isotopic_Weight	215.95344
71307072	Undefined_Atom_Stereo_Count	0
71454	Structure_Complexity	380
154517172	TPSA	3
78293	Covalent_Unit_Count	1
518733	Molecular_Weight	101.19
78683	Molecular_Weight	116.20
56842231	TPSA	355
61900360	Undefined_Bond_Stereo_Count	0
20465	Tautomer_Count	3
129867899	Defined_Bond_Stereo_Count	1
101042985	Hydrogen_Bond_Acceptor_Count	3
743681	TPSA	116
54688706	Hydrogen_Bond_Acceptor_Count	12
9811353	Undefined_Atom_Stereo_Count	0
9962911	Hydrogen_Bond_Acceptor_Count	16
155087254	Defined_Atom_Stereo_Count	6
101222073	Exact_Mass	646.28903092
23643976	Defined_Bond_Stereo_Count	0
8472	Covalent_Unit_Count	1
6395	Hydrogen_Bond_Acceptor_Count	3
77524	XLogP3-AA	1.2
9942657	Hydrogen_Bond_Acceptor_Count	4
44299	Non-hydrogen_Atom_Count	30
91617740	XLogP3-AA	4.4
11524	TPSA	20.2
24838310	Hydrogen_Bond_Donor_Count	3
9571016	Mono_Isotopic_Weight	576.156552
1576	Total_Formal_Charge	0
13129031	Structure_Complexity	111
93131	Defined_Atom_Stereo_Count	0
87163	Exact_Mass	124.074896272
82418990	Mono_Isotopic_Weight	111.043261792
45277565	TPSA	192
398675	TPSA	36
44455010	XLogP3-AA	2.5
11859	Isotope_Atom_Count	0
6619	XLogP3-AA	6.5
12768403	Hydrogen_Bond_Donor_Count	2
13117013	Defined_Bond_Stereo_Count	0
6419707	Non-hydrogen_Atom_Count	22
13450501	Structure_Complexity	53.9
69388	Rotatable_Bond_Count	2
482	Structure_Complexity	824
21989159	Undefined_Atom_Stereo_Count	5
89728	Non-hydrogen_Atom_Count	7
387	Isotope_Atom_Count	0
3356885	Covalent_Unit_Count	3
23991	Mono_Isotopic_Weight	131.90415508
6328648	Mono_Isotopic_Weight	141.109952077
59503411	Undefined_Bond_Stereo_Count	0
579338	Undefined_Bond_Stereo_Count	0
71309	Molecular_Weight	523.6
13331	Structure_Complexity	410
12329	Defined_Atom_Stereo_Count	0
6327	TPSA	0
23264402	Exact_Mass	110.073164938
6604866	Non-hydrogen_Atom_Count	22
3540	Covalent_Unit_Count	1
10899521	Mono_Isotopic_Weight	194.130679813
3052776	Structure_Complexity	212
65510	Total_Formal_Charge	0
189562	Structure_Complexity	483
78281	Mono_Isotopic_Weight	156.98336413
46835725	Exact_Mass	87.068413911
46244259	Total_Formal_Charge	0
16290686	Undefined_Bond_Stereo_Count	0
31982	Undefined_Atom_Stereo_Count	0
135444614	Non-hydrogen_Atom_Count	26
5599	Undefined_Atom_Stereo_Count	0
23667630	Defined_Atom_Stereo_Count	3
17649	Defined_Atom_Stereo_Count	1
55288256	Undefined_Bond_Stereo_Count	0
87187801	Mono_Isotopic_Weight	112.088815002
28563239	Exact_Mass	99.068413911
18357	Defined_Bond_Stereo_Count	0
15891	Tautomer_Count	1
102513886	Isotope_Atom_Count	0
14968486	Exact_Mass	114.068079557
522086	TPSA	20.2
6918474	Undefined_Atom_Stereo_Count	0
4635	Defined_Atom_Stereo_Count	0
56928187	Hydrogen_Bond_Acceptor_Count	10
66783827	Structure_Complexity	46.2
45480603	Undefined_Bond_Stereo_Count	0
60196410	Exact_Mass	588.2463106
40553	Exact_Mass	313.0981898
21496049	TPSA	26.3
134826704	Defined_Bond_Stereo_Count	0
537387	Hydrogen_Bond_Donor_Count	0
129508	Rotatable_Bond_Count	5
638066	Defined_Bond_Stereo_Count	1
12300006	Non-hydrogen_Atom_Count	39
14679813	Rotatable_Bond_Count	7
19420003	Covalent_Unit_Count	1
77807	Defined_Bond_Stereo_Count	0
566503	Defined_Atom_Stereo_Count	0
48346	Exact_Mass	225.1284273
4382	Hydrogen_Bond_Acceptor_Count	3
53822827	Defined_Atom_Stereo_Count	0
75496	Tautomer_Count	1
23730803	Hydrogen_Bond_Donor_Count	2
91420197	Undefined_Bond_Stereo_Count	0
8287	Molecular_Weight	362.3
12285862	Isotope_Atom_Count	0
16049026	Rotatable_Bond_Count	13
14583329	Defined_Bond_Stereo_Count	0
122235961	Structure_Complexity	65.1
91742	Defined_Atom_Stereo_Count	0
47294	TPSA	72.9
77998	Covalent_Unit_Count	2
70339927	Non-hydrogen_Atom_Count	6
34800	TPSA	25.8
413535	Covalent_Unit_Count	1
441072	Molecular_Weight	127.23
118193	Molecular_Weight	128.21
70003	Non-hydrogen_Atom_Count	12
21563	Molecular_Weight	245.32
6537099	TPSA	26.3
291703	Defined_Bond_Stereo_Count	0
5362	Total_Formal_Charge	0
102248333	Structure_Complexity	1280
44600	Hydrogen_Bond_Donor_Count	2
9804496	Structure_Complexity	561
160434	Structure_Complexity	118
11229455	Structure_Complexity	101
10176241	Defined_Bond_Stereo_Count	0
90941530	Undefined_Bond_Stereo_Count	0
91181590	Total_Formal_Charge	0
18343309	Rotatable_Bond_Count	2
88930515	Molecular_Weight	1202.6
54587760	Hydrogen_Bond_Donor_Count	1
25110841	Defined_Bond_Stereo_Count	0
99025	Mono_Isotopic_Weight	228.0454260
954767	Total_Formal_Charge	0
2724048	Covalent_Unit_Count	2
54687772	Defined_Atom_Stereo_Count	1
12608294	Hydrogen_Bond_Donor_Count	1
135398570	Structure_Complexity	616
13082553	TPSA	18.5
70732	Covalent_Unit_Count	1
11725	Undefined_Atom_Stereo_Count	0
53856717	Defined_Bond_Stereo_Count	0
6342	Non-hydrogen_Atom_Count	3
5497186	Defined_Atom_Stereo_Count	4
151726	Non-hydrogen_Atom_Count	9
5282403	Hydrogen_Bond_Donor_Count	2
978766	Exact_Mass	429.05105
2151	Hydrogen_Bond_Donor_Count	1
3033983	Exact_Mass	426.15730574
17541	Hydrogen_Bond_Acceptor_Count	3
3492020	Molecular_Weight	218.32
672	Molecular_Weight	326.31
2866	Mono_Isotopic_Weight	354.19434270
35489	Structure_Complexity	384
145068	Defined_Atom_Stereo_Count	0
274080	Isotope_Atom_Count	0
6169	Undefined_Atom_Stereo_Count	0
445858	Molecular_Weight	194.18
18338549	Exact_Mass	111.079647300
44590445	Isotope_Atom_Count	0
25227436	Defined_Bond_Stereo_Count	0
3032572	Molecular_Weight	226.4
71364	Mono_Isotopic_Weight	1303.66079514
73742	Defined_Atom_Stereo_Count	0
25079036	Structure_Complexity	2760
5353830	Hydrogen_Bond_Donor_Count	1
101059324	Defined_Atom_Stereo_Count	0
148362624	Defined_Bond_Stereo_Count	0
9427	Defined_Bond_Stereo_Count	0
10776235	Exact_Mass	236.1331784
131852189	Total_Formal_Charge	0
148211	Undefined_Bond_Stereo_Count	0
441139	Undefined_Atom_Stereo_Count	1
8225	Tautomer_Count	1
5748217	Hydrogen_Bond_Acceptor_Count	5
88317	XLogP3-AA	0.8
67494396	TPSA	79.8
1473879	Defined_Bond_Stereo_Count	0
9073	Non-hydrogen_Atom_Count	23
23675081	Tautomer_Count	11
20072996	Hydrogen_Bond_Acceptor_Count	2
146364	Undefined_Atom_Stereo_Count	1
15309593	Undefined_Bond_Stereo_Count	0
12201322	Hydrogen_Bond_Donor_Count	3
183809	Mono_Isotopic_Weight	368.16371127
44310743	Hydrogen_Bond_Acceptor_Count	4
14036559	Molecular_Weight	440.7
12319	Structure_Complexity	28.1
13401998	Mono_Isotopic_Weight	99.068413911
528603	Undefined_Bond_Stereo_Count	0
5801	Isotope_Atom_Count	0
60203	TPSA	31.4
642209	Structure_Complexity	95.6
24090	Hydrogen_Bond_Donor_Count	0
45408	Isotope_Atom_Count	0
6507	Molecular_Weight	360.4
94176	Exact_Mass	120.04225873
5659	Rotatable_Bond_Count	15
74448	Covalent_Unit_Count	1
1641	Isotope_Atom_Count	0
1363	Defined_Bond_Stereo_Count	0
12663409	Hydrogen_Bond_Acceptor_Count	0
53762932	Defined_Bond_Stereo_Count	0
5288494	TPSA	37.3
10045495	Molecular_Weight	383.4
75690	Mono_Isotopic_Weight	254.13382109
776222	Undefined_Atom_Stereo_Count	0
135398560	TPSA	204
41463	Molecular_Weight	378.9
71563	Defined_Bond_Stereo_Count	0
70919851	Isotope_Atom_Count	0
2449	Covalent_Unit_Count	1
14909248	Mono_Isotopic_Weight	114.104465066
30619	Undefined_Bond_Stereo_Count	0
5376979	Non-hydrogen_Atom_Count	18
6221	Exact_Mass	384.339216023
23533306	Undefined_Bond_Stereo_Count	0
78398	Defined_Atom_Stereo_Count	0
18713770	Hydrogen_Bond_Acceptor_Count	2
93480	TPSA	9.2
129009929	Structure_Complexity	415
263	Structure_Complexity	13.1
55255285	Undefined_Bond_Stereo_Count	0
62332	Mono_Isotopic_Weight	242.094294304
158698	Non-hydrogen_Atom_Count	32
9848869	Total_Formal_Charge	0
446912	Molecular_Weight	531.7
138107201	Structure_Complexity	756
7209	Non-hydrogen_Atom_Count	37
125286695	Covalent_Unit_Count	1
5281416	Undefined_Atom_Stereo_Count	0
51947	Molecular_Weight	377.27
69657541	Hydrogen_Bond_Donor_Count	0
21481285	Defined_Atom_Stereo_Count	0
6445562	XLogP3-AA	4.5
9033	Undefined_Bond_Stereo_Count	0
136430	Defined_Atom_Stereo_Count	0
228005	TPSA	0
75394	Structure_Complexity	118
5187	Hydrogen_Bond_Acceptor_Count	7
25142172	XLogP3-AA	3
85768913	Mono_Isotopic_Weight	95.073499291
83763	TPSA	20.2
60573	Tautomer_Count	6
14706	Mono_Isotopic_Weight	401.13543
188414	Defined_Atom_Stereo_Count	0
56848	Non-hydrogen_Atom_Count	29
59390227	Hydrogen_Bond_Acceptor_Count	6
34408	Hydrogen_Bond_Donor_Count	0
160244305	Defined_Atom_Stereo_Count	12
147856	Isotope_Atom_Count	0
7409	Isotope_Atom_Count	0
4626972	Isotope_Atom_Count	0
2720	Molecular_Weight	295.7
23269081	Exact_Mass	108.093900383
3036154	Isotope_Atom_Count	0
4679699	Isotope_Atom_Count	0
5873	Undefined_Bond_Stereo_Count	0
3310	Molecular_Weight	588.6
16490	Isotope_Atom_Count	0
585174	Covalent_Unit_Count	1
5316860	Tautomer_Count	1
71464121	Mono_Isotopic_Weight	96.057514874
86309268	Hydrogen_Bond_Acceptor_Count	7
123481111	Covalent_Unit_Count	1
23305495	Hydrogen_Bond_Donor_Count	7
45488106	Mono_Isotopic_Weight	445.11618739
91528	Hydrogen_Bond_Acceptor_Count	4
147895	Exact_Mass	849.35717005
60203	Non-hydrogen_Atom_Count	16
5351548	TPSA	215
11574	Total_Formal_Charge	0
9548714	Mono_Isotopic_Weight	414.422551722
2757748	Non-hydrogen_Atom_Count	12
151069	Rotatable_Bond_Count	7
152754843	Total_Formal_Charge	0
101534	Hydrogen_Bond_Donor_Count	2
7138	Exact_Mass	157.089149355
71008	XLogP3-AA	3
170813	Isotope_Atom_Count	0
91708	Total_Formal_Charge	0
28308	Isotope_Atom_Count	0
11733	Defined_Bond_Stereo_Count	0
5282947	Undefined_Bond_Stereo_Count	0
129866077	TPSA	286
163090691	Hydrogen_Bond_Donor_Count	4
21333560	Molecular_Weight	99.13
66261	Total_Formal_Charge	0
17549	Covalent_Unit_Count	1
987917	Undefined_Atom_Stereo_Count	0
19063360	Mono_Isotopic_Weight	112.125200510
5492898	Total_Formal_Charge	0
6451149	Rotatable_Bond_Count	5
1382059	Hydrogen_Bond_Donor_Count	1
54267	Structure_Complexity	13.1
10221024	Defined_Bond_Stereo_Count	0
139056	Total_Formal_Charge	0
130126869	Undefined_Bond_Stereo_Count	0
25253556	TPSA	79.9
10760	Tautomer_Count	2
3048	Total_Formal_Charge	0
443979	Molecular_Weight	388.5
227430	Rotatable_Bond_Count	6
6434112	Molecular_Weight	416.6
226108	Structure_Complexity	64.4
198015	Defined_Bond_Stereo_Count	0
219096	Total_Formal_Charge	0
13635	Covalent_Unit_Count	1
13514	Exact_Mass	159.924948
54076653	Structure_Complexity	111
692	XLogP3-AA	2.3
14265921	Undefined_Bond_Stereo_Count	0
5284369	Mono_Isotopic_Weight	253.110278721
6956367	Rotatable_Bond_Count	2
919792	Isotope_Atom_Count	0
71206	Non-hydrogen_Atom_Count	49
11558904	Molecular_Weight	326.4
20652880	Hydrogen_Bond_Donor_Count	2
23180086	Undefined_Bond_Stereo_Count	0
12306686	TPSA	77.8
137704662	Undefined_Bond_Stereo_Count	0
69336	Covalent_Unit_Count	1
51375035	Covalent_Unit_Count	1
268488	TPSA	92.4
12229743	TPSA	38
46848036	TPSA	99.2
12594991	Hydrogen_Bond_Acceptor_Count	1
1268111	Hydrogen_Bond_Acceptor_Count	4
118797610	Structure_Complexity	151
91227950	XLogP3-AA	0.4
3988	Tautomer_Count	2
71226662	Molecular_Weight	465.5
5387838	Defined_Atom_Stereo_Count	0
38350	Molecular_Weight	321.4
6247	Structure_Complexity	206
67174361	Structure_Complexity	108
19782023	Molecular_Weight	86.14
128815	Hydrogen_Bond_Acceptor_Count	8
889896	Mono_Isotopic_Weight	304.121177757
20545753	Mono_Isotopic_Weight	105.078978594
74062	Non-hydrogen_Atom_Count	15
1459	Hydrogen_Bond_Donor_Count	4
4167	TPSA	28.5
2769656	Molecular_Weight	106.05
31877	Isotope_Atom_Count	0
53952865	Defined_Atom_Stereo_Count	0
55284853	Undefined_Bond_Stereo_Count	0
54177139	Undefined_Bond_Stereo_Count	0
6927356	XLogP3	2.6
635186	Isotope_Atom_Count	0
8072	Structure_Complexity	23.5
6334	XLogP3-AA	1.8
56008	Structure_Complexity	710
2317	Isotope_Atom_Count	0
34794	Covalent_Unit_Count	2
774262	Undefined_Atom_Stereo_Count	0
129893524	Hydrogen_Bond_Acceptor_Count	21
12352	Defined_Bond_Stereo_Count	0
3392	Defined_Atom_Stereo_Count	0
23677960	Total_Formal_Charge	0
136351428	Defined_Atom_Stereo_Count	0
8201	Undefined_Atom_Stereo_Count	0
53316393	Hydrogen_Bond_Acceptor_Count	5
75258	Rotatable_Bond_Count	2
20392754	Covalent_Unit_Count	1
4911	Molecular_Weight	285.36
49621	Isotope_Atom_Count	0
9567537	Covalent_Unit_Count	1
534094	XLogP3-AA	1
9866696	Rotatable_Bond_Count	3
36560	Defined_Atom_Stereo_Count	0
70248	Exact_Mass	148.121177757
42762	Defined_Bond_Stereo_Count	0
122415	Exact_Mass	154.135765193
12303048	Isotope_Atom_Count	0
13853	Exact_Mass	86.073164938
3369	Molecular_Weight	302.73
85192	Structure_Complexity	86.2
383414	Total_Formal_Charge	0
14986	Total_Formal_Charge	0
123672484	Molecular_Weight	115.17
586156	Covalent_Unit_Count	1
101609	Defined_Atom_Stereo_Count	4
56338	Structure_Complexity	536
193720	Undefined_Bond_Stereo_Count	0
673681	Molecular_Weight	155.18
13469816	Rotatable_Bond_Count	1
415984	Defined_Bond_Stereo_Count	0
160883	Hydrogen_Bond_Acceptor_Count	4
16399	Hydrogen_Bond_Acceptor_Count	1
529269	Covalent_Unit_Count	1
9855476	Defined_Atom_Stereo_Count	0
963699	Exact_Mass	289.0869564
9895193	Total_Formal_Charge	0
21864086	Undefined_Bond_Stereo_Count	0
22035327	Structure_Complexity	151
13424661	TPSA	126
58481202	Molecular_Weight	342.30
57396625	TPSA	48.4
398737	Rotatable_Bond_Count	8
220401	TPSA	66
9898619	Undefined_Bond_Stereo_Count	0
56840987	Defined_Atom_Stereo_Count	6
75691	Defined_Atom_Stereo_Count	0
4205685	Undefined_Bond_Stereo_Count	0
5311333	TPSA	241
93740	Non-hydrogen_Atom_Count	21
11029783	Defined_Bond_Stereo_Count	0
15217249	Undefined_Atom_Stereo_Count	1
3048339	Non-hydrogen_Atom_Count	17
30905	Isotope_Atom_Count	0
921599	TPSA	48.1
9961192	Total_Formal_Charge	0
636750	Tautomer_Count	1
2950	Undefined_Bond_Stereo_Count	0
12054761	Hydrogen_Bond_Donor_Count	0
21692	Structure_Complexity	461
18213	Total_Formal_Charge	0
481	Undefined_Atom_Stereo_Count	3
98527	Hydrogen_Bond_Donor_Count	1
446167	Defined_Atom_Stereo_Count	0
5564	Rotatable_Bond_Count	2
24608	Hydrogen_Bond_Acceptor_Count	2
50989726	Isotope_Atom_Count	0
17841522	Non-hydrogen_Atom_Count	7
28459	Non-hydrogen_Atom_Count	12
16759310	Defined_Atom_Stereo_Count	0
2734920	Total_Formal_Charge	0
54942	TPSA	50.8
4223	Structure_Complexity	584
628181	Molecular_Weight	370.5
563049	Hydrogen_Bond_Acceptor_Count	6
2437245	Molecular_Weight	180.20
20209436	Covalent_Unit_Count	5
5351	Tautomer_Count	1
57339238	Molecular_Weight	336.21
44629653	Isotope_Atom_Count	0
123628273	Defined_Bond_Stereo_Count	0
71219	Isotope_Atom_Count	0
82202	Covalent_Unit_Count	1
627774	Hydrogen_Bond_Acceptor_Count	1
71296969	TPSA	143
71317094	Mono_Isotopic_Weight	193.12745433
9578243	Defined_Atom_Stereo_Count	0
45357888	Undefined_Bond_Stereo_Count	0
53321035	Undefined_Bond_Stereo_Count	0
10483883	Total_Formal_Charge	0
18626415	Isotope_Atom_Count	0
12663409	Structure_Complexity	70.1
1710	TPSA	40.5
58969552	Rotatable_Bond_Count	1
443042	Rotatable_Bond_Count	4
23634441	Hydrogen_Bond_Donor_Count	3
70682976	Mono_Isotopic_Weight	336.14739250
143122	Exact_Mass	110.109550447
657073	Defined_Bond_Stereo_Count	0
68723	TPSA	57.7
44455014	Non-hydrogen_Atom_Count	26
96665	Undefined_Atom_Stereo_Count	0
8489	Total_Formal_Charge	0
21679899	Hydrogen_Bond_Acceptor_Count	1
6643	Exact_Mass	164.120115130
129653817	Structure_Complexity	98.2
16218643	Molecular_Weight	430.6
918412	Exact_Mass	273.03644
70235	Total_Formal_Charge	0
61341	Undefined_Atom_Stereo_Count	0
45116687	Isotope_Atom_Count	0
12676503	Rotatable_Bond_Count	1
37901	TPSA	76
94335	Total_Formal_Charge	0
49868036	Hydrogen_Bond_Acceptor_Count	21
53318410	Molecular_Weight	253.29
5068775	Hydrogen_Bond_Acceptor_Count	2
372	Non-hydrogen_Atom_Count	13
97375	Undefined_Bond_Stereo_Count	0
70060	TPSA	75.4
757435	Rotatable_Bond_Count	5
23286	Undefined_Bond_Stereo_Count	0
5540	Rotatable_Bond_Count	13
7612	Structure_Complexity	58.1
37839	Non-hydrogen_Atom_Count	17
135512673	Molecular_Weight	822.9
135491728	Molecular_Weight	359.9
254320	Hydrogen_Bond_Donor_Count	2
3032806	Defined_Atom_Stereo_Count	10
12507	Isotope_Atom_Count	0
23571381	Isotope_Atom_Count	0
13490845	Exact_Mass	447.27734404
85531465	Exact_Mass	86.036779430
636397	Rotatable_Bond_Count	7
10176082	TPSA	3
6973656	Isotope_Atom_Count	0
41990	Tautomer_Count	4
423792	Hydrogen_Bond_Acceptor_Count	3
41282	Hydrogen_Bond_Acceptor_Count	0
163883593	Mono_Isotopic_Weight	111.079647300
14643618	Hydrogen_Bond_Acceptor_Count	2
257950	Mono_Isotopic_Weight	162.068079557
98047379	Defined_Atom_Stereo_Count	8
102752	TPSA	17.1
27058	Molecular_Weight	292.49
55142	Exact_Mass	265.110278721
2770166	Exact_Mass	131.05171847
11476171	Covalent_Unit_Count	1
11829391	Molecular_Weight	112.17
10026604	Hydrogen_Bond_Acceptor_Count	5
42552713	Undefined_Bond_Stereo_Count	0
701186	Mono_Isotopic_Weight	304.0614700
54133029	Mono_Isotopic_Weight	113.047678466
13225428	Undefined_Atom_Stereo_Count	1
182	Non-hydrogen_Atom_Count	78
59295974	Non-hydrogen_Atom_Count	38
102861	Hydrogen_Bond_Donor_Count	0
10181898	Rotatable_Bond_Count	5
68666	Non-hydrogen_Atom_Count	31
865	Rotatable_Bond_Count	6
20313	Isotope_Atom_Count	0
18442762	Defined_Atom_Stereo_Count	0
449215	TPSA	64.4
141850000	Covalent_Unit_Count	1
5367588	Hydrogen_Bond_Acceptor_Count	0
58071	Molecular_Weight	276.37
11662332	Undefined_Bond_Stereo_Count	0
14459508	Undefined_Atom_Stereo_Count	1
23691042	Tautomer_Count	1
6918284	Structure_Complexity	2080
123892631	Covalent_Unit_Count	1
78027	Undefined_Atom_Stereo_Count	0
54580844	Exact_Mass	275.12340382
11628328	Hydrogen_Bond_Donor_Count	2
30868	Total_Formal_Charge	2
20680013	Defined_Atom_Stereo_Count	0
8854	Tautomer_Count	1
16564	TPSA	82.9
22563957	Mono_Isotopic_Weight	114.104465066
98651	Undefined_Atom_Stereo_Count	0
10866300	Defined_Atom_Stereo_Count	0
5284584	Isotope_Atom_Count	0
77328	Hydrogen_Bond_Acceptor_Count	2
54289557	Isotope_Atom_Count	0
33672	Covalent_Unit_Count	1
25142970	Isotope_Atom_Count	0
443046	XLogP3	6.1
141010	Defined_Atom_Stereo_Count	0
627812	Undefined_Atom_Stereo_Count	1
59557415	Defined_Atom_Stereo_Count	0
524410	Covalent_Unit_Count	1
137701808	Exact_Mass	639.37711765
21580808	Isotope_Atom_Count	0
10975460	Structure_Complexity	106
25072736	Total_Formal_Charge	0
23433606	Exact_Mass	218.084398327
84647603	Isotope_Atom_Count	0
12313849	Rotatable_Bond_Count	0
21210	Mono_Isotopic_Weight	132.115029749
137553930	Total_Formal_Charge	0
321858	Total_Formal_Charge	0
120738	Tautomer_Count	1
5459811	Undefined_Atom_Stereo_Count	0
8870	Defined_Bond_Stereo_Count	0
18343	Hydrogen_Bond_Donor_Count	3
5289143	Undefined_Bond_Stereo_Count	0
70912	Exact_Mass	173.10519334
522662	Structure_Complexity	60.4
136585	TPSA	0
11441796	Structure_Complexity	575
2039	Tautomer_Count	1
8974	Defined_Bond_Stereo_Count	0
18402	Rotatable_Bond_Count	4
59646264	Structure_Complexity	382
9863672	Total_Formal_Charge	0
12740771	Exact_Mass	78.0469501914
105746	Total_Formal_Charge	0
68700720	Structure_Complexity	66.7
140409	Defined_Atom_Stereo_Count	0
146993530	Isotope_Atom_Count	0
59296041	XLogP3-AA	1.6
656837	Defined_Bond_Stereo_Count	0
63036	Non-hydrogen_Atom_Count	32
91414	Molecular_Weight	165.07
20543	Exact_Mass	456.045747
9887304	Structure_Complexity	682
75518	TPSA	20.2
91661	Molecular_Weight	338.9
91984	Molecular_Weight	191.31
59883	Exact_Mass	417.24162724
110839	Hydrogen_Bond_Acceptor_Count	3
8422	Defined_Bond_Stereo_Count	0
13672885	Rotatable_Bond_Count	3
15664	Hydrogen_Bond_Donor_Count	0
163050680	Hydrogen_Bond_Acceptor_Count	5
61237	Total_Formal_Charge	0
34837	Molecular_Weight	324.4
10288191	Tautomer_Count	5
5574	Total_Formal_Charge	0
143686076	Molecular_Weight	97.16
134688154	Total_Formal_Charge	0
37511	Mono_Isotopic_Weight	103.099714038
19962939	TPSA	24.4
21863620	Undefined_Bond_Stereo_Count	0
107782	Hydrogen_Bond_Donor_Count	4
59896759	Total_Formal_Charge	0
54949	Defined_Bond_Stereo_Count	0
131845588	Rotatable_Bond_Count	0
6787	Undefined_Bond_Stereo_Count	0
46218908	Rotatable_Bond_Count	14
6438372	Defined_Bond_Stereo_Count	2
67591	Structure_Complexity	204
135413552	Total_Formal_Charge	0
57499	Isotope_Atom_Count	0
8821	Isotope_Atom_Count	0
1746	TPSA	79.8
13332726	Exact_Mass	98.048012819
143337	Molecular_Weight	284.48
132471895	Isotope_Atom_Count	0
4659568	TPSA	130
441407	Non-hydrogen_Atom_Count	30
41781	Exact_Mass	348.12561169
49862627	Covalent_Unit_Count	1
96273	Defined_Atom_Stereo_Count	0
23677974	Isotope_Atom_Count	0
44526	Exact_Mass	195.162314293
3081078	TPSA	23.6
58095446	Covalent_Unit_Count	1
69674601	Hydrogen_Bond_Donor_Count	1
56982924	Undefined_Bond_Stereo_Count	0
4145140	TPSA	63.3
5361	Hydrogen_Bond_Donor_Count	12
145359725	Mono_Isotopic_Weight	101.047678466
17910644	Non-hydrogen_Atom_Count	8
12933274	Undefined_Atom_Stereo_Count	0
83478498	Hydrogen_Bond_Donor_Count	1
522354	Undefined_Atom_Stereo_Count	0
24808640	Molecular_Weight	94.11
35023	Total_Formal_Charge	0
34338	Isotope_Atom_Count	0
216287	Total_Formal_Charge	0
6426849	Non-hydrogen_Atom_Count	22
22385738	XLogP3-AA	0.2
72712745	Undefined_Bond_Stereo_Count	0
11815322	Defined_Bond_Stereo_Count	0
26130	Non-hydrogen_Atom_Count	10
135412736	Covalent_Unit_Count	1
20289356	TPSA	49.7
13413802	Hydrogen_Bond_Acceptor_Count	2
23653	XLogP3-AA	0.9
56843898	Molecular_Weight	418.3
6049	Defined_Bond_Stereo_Count	0
796414	Molecular_Weight	276.37
124085867	Non-hydrogen_Atom_Count	32
96600	Hydrogen_Bond_Acceptor_Count	4
61508	Isotope_Atom_Count	0
26956	Undefined_Bond_Stereo_Count	1
91148	Total_Formal_Charge	0
8663	XLogP3	2.7
67522784	Total_Formal_Charge	0
5723	Undefined_Atom_Stereo_Count	0
22818	Undefined_Atom_Stereo_Count	0
439215	Undefined_Atom_Stereo_Count	1
16003	Isotope_Atom_Count	0
2723877	Total_Formal_Charge	0
22475	Structure_Complexity	284
3570	Covalent_Unit_Count	1
8381	Defined_Atom_Stereo_Count	0
62430	Total_Formal_Charge	0
17166	Undefined_Atom_Stereo_Count	0
52129	Exact_Mass	411.1367991
987917	Isotope_Atom_Count	0
12271363	Rotatable_Bond_Count	1
55331	Defined_Bond_Stereo_Count	0
91826463	Exact_Mass	434.21046687
31953	Rotatable_Bond_Count	3
6359	Hydrogen_Bond_Acceptor_Count	0
1233	Defined_Bond_Stereo_Count	0
219081	Rotatable_Bond_Count	5
134687950	Rotatable_Bond_Count	4
16211189	Non-hydrogen_Atom_Count	13
56675697	Rotatable_Bond_Count	10
12998627	Exact_Mass	250.01157045
93205	Hydrogen_Bond_Acceptor_Count	8
3966	Molecular_Weight	234.38
3067	Rotatable_Bond_Count	4
5486830	Defined_Atom_Stereo_Count	1
567118	Non-hydrogen_Atom_Count	7
22762494	Structure_Complexity	40.8
102131130	Covalent_Unit_Count	1
413260	Undefined_Bond_Stereo_Count	0
11469158	Undefined_Atom_Stereo_Count	0
413487	Undefined_Bond_Stereo_Count	0
132236745	Molecular_Weight	112.17
85805628	XLogP3-AA	1.6
18779032	Hydrogen_Bond_Donor_Count	4
118855925	Rotatable_Bond_Count	1
13267937	Non-hydrogen_Atom_Count	30
74325379	Covalent_Unit_Count	1
21497	Undefined_Atom_Stereo_Count	0
42715	Hydrogen_Bond_Donor_Count	0
135989	Molecular_Weight	82.14
10215932	Hydrogen_Bond_Acceptor_Count	7
30199	Rotatable_Bond_Count	0
1607	Exact_Mass	168.05349212
20262	Total_Formal_Charge	0
67085	Undefined_Bond_Stereo_Count	0
3153	TPSA	66.5
57061642	Defined_Bond_Stereo_Count	0
134692189	Undefined_Atom_Stereo_Count	6
53385491	Defined_Bond_Stereo_Count	3
1530	Undefined_Bond_Stereo_Count	0
42512	Molecular_Weight	321.5
163090692	Total_Formal_Charge	0
129746471	Exact_Mass	96.021129366
222199	Structure_Complexity	208
7158	Undefined_Atom_Stereo_Count	1
9827982	Structure_Complexity	398
71625548	Rotatable_Bond_Count	10
55245	Rotatable_Bond_Count	3
64423	Covalent_Unit_Count	2
6406	Defined_Bond_Stereo_Count	0
8041	Hydrogen_Bond_Acceptor_Count	2
54766	Hydrogen_Bond_Acceptor_Count	6
77290	Covalent_Unit_Count	1
42095	Molecular_Weight	174.20
111318	Structure_Complexity	697
13772685	Defined_Atom_Stereo_Count	0
5289535	Mono_Isotopic_Weight	785.28546166
60191	Non-hydrogen_Atom_Count	40
573117	Structure_Complexity	94.4
70297750	Undefined_Atom_Stereo_Count	1
178438	Tautomer_Count	1
53763878	Hydrogen_Bond_Donor_Count	0
146159752	Undefined_Atom_Stereo_Count	5
11520	Mono_Isotopic_Weight	116.120115130
12078	Undefined_Atom_Stereo_Count	0
323701	Total_Formal_Charge	0
8205	Undefined_Atom_Stereo_Count	0
130380	Undefined_Atom_Stereo_Count	0
170993	XLogP3-AA	2.4
16726085	Covalent_Unit_Count	1
19014	Non-hydrogen_Atom_Count	14
14812	Undefined_Bond_Stereo_Count	0
87212	Defined_Atom_Stereo_Count	0
66572376	Exact_Mass	122.00376522
145627882	TPSA	21.6
25522	Exact_Mass	324.183778013
87653	Covalent_Unit_Count	1
7042	Rotatable_Bond_Count	0
66251	Tautomer_Count	1
21438817	Exact_Mass	98.048012819
36005	Undefined_Bond_Stereo_Count	0
206527	Molecular_Weight	407.5
43507	Covalent_Unit_Count	1
7428	XLogP3	0.9
16132350	Isotope_Atom_Count	0
60196378	Defined_Atom_Stereo_Count	0
9865375	Total_Formal_Charge	0
1910825	Undefined_Atom_Stereo_Count	0
163853278	Molecular_Weight	95.14
22660	Tautomer_Count	2
21355780	Covalent_Unit_Count	1
9887844	Hydrogen_Bond_Acceptor_Count	5
139254656	Covalent_Unit_Count	1
16331	XLogP3-AA	1
140291701	Total_Formal_Charge	0
23327	Hydrogen_Bond_Acceptor_Count	5
83904773	Total_Formal_Charge	0
60196391	Exact_Mass	295.09245548
23724817	Isotope_Atom_Count	0
18218196	Defined_Bond_Stereo_Count	0
140519105	Molecular_Weight	97.12
16095274	Undefined_Bond_Stereo_Count	0
17671	Hydrogen_Bond_Donor_Count	0
67643801	Defined_Bond_Stereo_Count	0
443958	Molecular_Weight	502.6
13244862	Total_Formal_Charge	0
53276	Rotatable_Bond_Count	6
11007917	Exact_Mass	128.083729621
54603930	Covalent_Unit_Count	2
34359	Rotatable_Bond_Count	4
21331	Isotope_Atom_Count	0
81867	TPSA	37.4
101316977	Undefined_Bond_Stereo_Count	0
6175	Hydrogen_Bond_Donor_Count	4
22650	XLogP3	4.1
22481042	Isotope_Atom_Count	0
216261	Tautomer_Count	4
66683197	Hydrogen_Bond_Donor_Count	1
387179	Defined_Atom_Stereo_Count	0
156592459	Defined_Atom_Stereo_Count	11
71717	Covalent_Unit_Count	1
4015	Defined_Bond_Stereo_Count	0
11263686	Defined_Atom_Stereo_Count	0
24414	TPSA	88.6
17753851	XLogP3-AA	3.4
68891	Mono_Isotopic_Weight	408.019911
7594067	Covalent_Unit_Count	1
13191	Structure_Complexity	56.6
153939154	Mono_Isotopic_Weight	114.068079557
17846631	XLogP3-AA	0.3
127832	Tautomer_Count	1
5151436	TPSA	20.2
19878	Undefined_Atom_Stereo_Count	0
16170	Structure_Complexity	372
70916	Exact_Mass	226.12050905
20811482	Exact_Mass	97.052763847
12656387	Defined_Bond_Stereo_Count	0
13593925	Covalent_Unit_Count	1
5311110	Total_Formal_Charge	0
25113190	Mono_Isotopic_Weight	763.08391013
66426486	Non-hydrogen_Atom_Count	8
6604472	Hydrogen_Bond_Donor_Count	3
1951	Molecular_Weight	564.5
6264	Covalent_Unit_Count	1
3540	Undefined_Atom_Stereo_Count	0
18850	Molecular_Weight	82.14
21430458	Exact_Mass	117.078978594
25249	Hydrogen_Bond_Donor_Count	2
86356	TPSA	35
18776	Total_Formal_Charge	0
48670	Undefined_Atom_Stereo_Count	0
31284	Tautomer_Count	1
81058	Isotope_Atom_Count	0
143552208	Molecular_Weight	124.16
15940571	TPSA	119
286827	Defined_Atom_Stereo_Count	0
54682930	Molecular_Weight	162.14
10244018	TPSA	66.8
3058754	TPSA	95.6
21109	XLogP3-AA	1
91739	Mono_Isotopic_Weight	240.9697338
71306478	Rotatable_Bond_Count	3
6918558	Hydrogen_Bond_Donor_Count	1
28830	Covalent_Unit_Count	2
518516	Defined_Bond_Stereo_Count	0
84032542	Exact_Mass	113.047678466
11296670	Total_Formal_Charge	0
70694392	Mono_Isotopic_Weight	329.09241742
7020337	Mono_Isotopic_Weight	477.09994880
5139	Mono_Isotopic_Weight	104.04081944
62441	Covalent_Unit_Count	2
10414749	Undefined_Bond_Stereo_Count	0
47471	Hydrogen_Bond_Acceptor_Count	5
25222253	Molecular_Weight	231.11
97747	Non-hydrogen_Atom_Count	18
10865248	Undefined_Bond_Stereo_Count	0
80085	Isotope_Atom_Count	0
55276371	Defined_Atom_Stereo_Count	0
364704	Structure_Complexity	435
73442	Hydrogen_Bond_Donor_Count	0
452254	Hydrogen_Bond_Acceptor_Count	6
102657	Undefined_Bond_Stereo_Count	0
91980486	Covalent_Unit_Count	2
13551	Rotatable_Bond_Count	2
5257090	Rotatable_Bond_Count	1
163050681	Total_Formal_Charge	0
135975	Exact_Mass	316.125200510
11351021	Undefined_Atom_Stereo_Count	0
14017772	TPSA	72.6
10899	Hydrogen_Bond_Donor_Count	0
70685697	XLogP3-AA	4.3
5280453	Undefined_Atom_Stereo_Count	0
10378	Undefined_Atom_Stereo_Count	0
19978898	Defined_Atom_Stereo_Count	0
34936	Mono_Isotopic_Weight	209.09127461
29976098	Structure_Complexity	596
3788074	Isotope_Atom_Count	0
53472683	TPSA	117
157356129	Molecular_Weight	108.18
104143	Undefined_Bond_Stereo_Count	0
398516	Defined_Atom_Stereo_Count	0
118158	Non-hydrogen_Atom_Count	6
3717	Undefined_Bond_Stereo_Count	0
4051	Structure_Complexity	634
31243	Undefined_Bond_Stereo_Count	0
6096880	Rotatable_Bond_Count	7
69158971	Defined_Atom_Stereo_Count	0
23671562	Non-hydrogen_Atom_Count	40
83569	Isotope_Atom_Count	0
91971505	Defined_Atom_Stereo_Count	7
114743	Hydrogen_Bond_Donor_Count	1
136451	Mono_Isotopic_Weight	159.125928785
78297	TPSA	115
138370	XLogP3-AA	3.1
12302693	Mono_Isotopic_Weight	342.11621151
65825	TPSA	6.5
2719	Total_Formal_Charge	0
54595803	Undefined_Bond_Stereo_Count	0
17756	Molecular_Weight	104.15
98790	Defined_Atom_Stereo_Count	0
49806720	Molecular_Weight	482.6
91747	Exact_Mass	309.0379554
11575	Total_Formal_Charge	0
7831	Rotatable_Bond_Count	23
53318409	Undefined_Atom_Stereo_Count	0
5281416	Isotope_Atom_Count	0
35625	Total_Formal_Charge	0
25828	Defined_Atom_Stereo_Count	0
101630689	Defined_Bond_Stereo_Count	0
66776828	Mono_Isotopic_Weight	428.19607403
476	Exact_Mass	228.03988975
60196291	Undefined_Atom_Stereo_Count	0
44962	Hydrogen_Bond_Acceptor_Count	3
97268	Hydrogen_Bond_Acceptor_Count	4
91139914	XLogP3-AA	2.7
54587659	XLogP3-AA	4
361610	Molecular_Weight	293.27
53326032	XLogP3-AA	1.8
5353424	Total_Formal_Charge	0
16722832	XLogP3-AA	4.2
158770620	Exact_Mass	114.104465066
22832	Rotatable_Bond_Count	10
17273	XLogP3	5.4
37858	Isotope_Atom_Count	0
57563	Hydrogen_Bond_Acceptor_Count	3
84075	Molecular_Weight	551.6
15510	Covalent_Unit_Count	1
426409	Hydrogen_Bond_Donor_Count	3
222212	Hydrogen_Bond_Donor_Count	0
54675757	Hydrogen_Bond_Acceptor_Count	3
819269	Hydrogen_Bond_Donor_Count	2
35740	Isotope_Atom_Count	0
31251	Tautomer_Count	1
61896	Isotope_Atom_Count	0
70684	Rotatable_Bond_Count	2
66903	Rotatable_Bond_Count	18
97865	TPSA	77
58031952	Covalent_Unit_Count	1
91701	Defined_Atom_Stereo_Count	0
11957654	Isotope_Atom_Count	0
9597	Rotatable_Bond_Count	3
57399125	Exact_Mass	391.09324650
517055	Non-hydrogen_Atom_Count	10
657690	Undefined_Atom_Stereo_Count	0
125702	Defined_Bond_Stereo_Count	0
11644097	TPSA	93
3352	Hydrogen_Bond_Donor_Count	1
257	Defined_Atom_Stereo_Count	0
441300	XLogP3-AA	0.9
12312963	Exact_Mass	94.053098200
5282398	Total_Formal_Charge	0
8655	Undefined_Bond_Stereo_Count	0
539061	Exact_Mass	548.29853298
460987	Defined_Atom_Stereo_Count	6
6852129	Non-hydrogen_Atom_Count	14
13810419	Undefined_Bond_Stereo_Count	0
44339136	TPSA	150
9808828	Rotatable_Bond_Count	7
9201	Defined_Bond_Stereo_Count	0
2142	Exact_Mass	585.28573644
5244	Defined_Bond_Stereo_Count	0
59050126	Hydrogen_Bond_Acceptor_Count	2
142401	Mono_Isotopic_Weight	92.026214747
10456134	Covalent_Unit_Count	1
151148	Tautomer_Count	4
8791	TPSA	26.3
7408	Structure_Complexity	74.6
70977832	Undefined_Atom_Stereo_Count	4
17764882	Undefined_Bond_Stereo_Count	0
19876500	Hydrogen_Bond_Donor_Count	0
882533	Hydrogen_Bond_Donor_Count	0
14263	Rotatable_Bond_Count	0
225710	Undefined_Bond_Stereo_Count	0
25023837	Non-hydrogen_Atom_Count	30
124225	Non-hydrogen_Atom_Count	24
37631	Defined_Bond_Stereo_Count	0
5281793	Isotope_Atom_Count	0
65064	Total_Formal_Charge	0
9162	Structure_Complexity	361
2723854	Isotope_Atom_Count	0
154701841	Hydrogen_Bond_Acceptor_Count	1
47811	Defined_Bond_Stereo_Count	0
22097456	Mono_Isotopic_Weight	112.063662883
11281011	Defined_Bond_Stereo_Count	0
9952916	Undefined_Bond_Stereo_Count	0
156285535	Isotope_Atom_Count	0
6915836	Structure_Complexity	517
4366885	Defined_Bond_Stereo_Count	0
68624	Defined_Bond_Stereo_Count	0
10225191	Undefined_Atom_Stereo_Count	0
441	Isotope_Atom_Count	0
721861	Defined_Atom_Stereo_Count	1
67954811	Covalent_Unit_Count	1
45933929	Defined_Bond_Stereo_Count	0
20135736	Defined_Atom_Stereo_Count	0
5934	Mono_Isotopic_Weight	239.142247555
12731	Structure_Complexity	19.9
24361	Covalent_Unit_Count	1
19458	Mono_Isotopic_Weight	473.94157537
17390	XLogP3	2.8
11278075	Rotatable_Bond_Count	0
14027216	TPSA	26.3
129864969	Structure_Complexity	620
100427	TPSA	61.4
54586718	Mono_Isotopic_Weight	313.17902698
123419	Defined_Bond_Stereo_Count	0
90438	Isotope_Atom_Count	0
84463	Rotatable_Bond_Count	6
5462928	TPSA	0
85824359	Structure_Complexity	80
21037713	Molecular_Weight	397.4
71582942	TPSA	63.2
13433600	Hydrogen_Bond_Acceptor_Count	3
11182591	Hydrogen_Bond_Acceptor_Count	2
135499741	Mono_Isotopic_Weight	115.038176411
67246787	Hydrogen_Bond_Donor_Count	1
19777659	Covalent_Unit_Count	1
6518171	Defined_Bond_Stereo_Count	0
102	Hydrogen_Bond_Acceptor_Count	2
21786118	Covalent_Unit_Count	1
22220875	Undefined_Atom_Stereo_Count	0
148539	Rotatable_Bond_Count	0
66419	Hydrogen_Bond_Donor_Count	2
16454	Exact_Mass	101.047678466
14200531	XLogP3-AA	1.3
18462872	TPSA	49.3
131750205	Molecular_Weight	1104.6
68323	Hydrogen_Bond_Acceptor_Count	1
46877881	Hydrogen_Bond_Donor_Count	9
9543090	Structure_Complexity	309
18569	Covalent_Unit_Count	1
219078	Rotatable_Bond_Count	6
135472946	Isotope_Atom_Count	0
9887884	Hydrogen_Bond_Acceptor_Count	5
71742521	Covalent_Unit_Count	1
157692	Hydrogen_Bond_Donor_Count	2
547678	Structure_Complexity	110
454878	Hydrogen_Bond_Donor_Count	6
12977	Isotope_Atom_Count	0
23690927	Isotope_Atom_Count	0
45857	Exact_Mass	289.1000197
4181	Defined_Atom_Stereo_Count	0
56972049	Hydrogen_Bond_Donor_Count	3
4667	Rotatable_Bond_Count	6
56635545	Undefined_Bond_Stereo_Count	0
43858	Defined_Bond_Stereo_Count	0
9689	XLogP3-AA	2.8
71893	TPSA	37.4
53881088	Mono_Isotopic_Weight	111.032028402
88481085	Hydrogen_Bond_Donor_Count	3
141379122	Exact_Mass	111.043261792
12059	Structure_Complexity	98.9
17846631	Mono_Isotopic_Weight	224.08136064
71458921	XLogP3-AA	2.2
3326923	Molecular_Weight	205.27
67121664	Exact_Mass	112.088815002
2807	Undefined_Bond_Stereo_Count	2
139171223	Non-hydrogen_Atom_Count	47
123212370	Defined_Atom_Stereo_Count	0
8015	Defined_Bond_Stereo_Count	0
60342	Non-hydrogen_Atom_Count	20
76840	Isotope_Atom_Count	0
3239396	Non-hydrogen_Atom_Count	20
92703	Total_Formal_Charge	0
21822	Rotatable_Bond_Count	3
105037	Mono_Isotopic_Weight	153.078978594
180559	Molecular_Weight	266.34
55802	Structure_Complexity	164
285118	Tautomer_Count	1
19348604	Total_Formal_Charge	0
11611	TPSA	0
58376271	Rotatable_Bond_Count	3
656657	Defined_Atom_Stereo_Count	1
21579161	Isotope_Atom_Count	0
12769779	Exact_Mass	127.06088375
4800713	Hydrogen_Bond_Donor_Count	1
3400	Isotope_Atom_Count	0
121290477	Undefined_Atom_Stereo_Count	9
6866	Defined_Bond_Stereo_Count	0
36401	Isotope_Atom_Count	0
12309339	Undefined_Bond_Stereo_Count	0
20547	Non-hydrogen_Atom_Count	12
441332	Mono_Isotopic_Weight	368.25627424
53326156	Covalent_Unit_Count	1
46181941	Undefined_Atom_Stereo_Count	1
6791	XLogP3	2.1
154824089	Molecular_Weight	397.5
67050	Rotatable_Bond_Count	0
636399	Isotope_Atom_Count	0
4365	Mono_Isotopic_Weight	324.11437830
54215450	Non-hydrogen_Atom_Count	7
26185	Molecular_Weight	238.24
8940	Structure_Complexity	390
57624328	Defined_Bond_Stereo_Count	0
5324	Hydrogen_Bond_Donor_Count	3
137944176	Structure_Complexity	96.3
25142444	Undefined_Bond_Stereo_Count	0
39484	Rotatable_Bond_Count	1
87424384	Total_Formal_Charge	0
14013	Isotope_Atom_Count	0
13867124	Rotatable_Bond_Count	6
13059052	Mono_Isotopic_Weight	380.177630004
5281764	Molecular_Weight	474.4
220212	Non-hydrogen_Atom_Count	8
5284592	XLogP3-AA	6.4
17806258	Hydrogen_Bond_Acceptor_Count	2
44392074	Structure_Complexity	752
81890	Molecular_Weight	88.15
96359	Tautomer_Count	1
693507	Structure_Complexity	435
22833331	Undefined_Atom_Stereo_Count	1
372	Structure_Complexity	348
71356656	Hydrogen_Bond_Acceptor_Count	1
156963699	Exact_Mass	442.19915329
54087622	Hydrogen_Bond_Donor_Count	1
71191	Total_Formal_Charge	0
16109396	Rotatable_Bond_Count	7
45275554	Mono_Isotopic_Weight	492.1939613
5276614	XLogP3-AA	8.4
57827330	Exact_Mass	437.11333049
154147714	Structure_Complexity	145
8573	Defined_Atom_Stereo_Count	0
20632752	Rotatable_Bond_Count	4
53631526	Undefined_Bond_Stereo_Count	0
725544	Hydrogen_Bond_Donor_Count	2
42608371	Mono_Isotopic_Weight	287.24604391
62817	Hydrogen_Bond_Acceptor_Count	2
14577084	Rotatable_Bond_Count	0
5829	TPSA	6.5
17930361	Hydrogen_Bond_Donor_Count	0
3823	Isotope_Atom_Count	0
54585640	Hydrogen_Bond_Donor_Count	1
57358267	Mono_Isotopic_Weight	279.0428987
66204	Hydrogen_Bond_Donor_Count	0
22227744	Molecular_Weight	161.23
13217907	Rotatable_Bond_Count	1
180288	Exact_Mass	724.3998305
11182588	Defined_Bond_Stereo_Count	0
119196	Undefined_Bond_Stereo_Count	0
89339	Isotope_Atom_Count	0
8133	Defined_Bond_Stereo_Count	0
65263	Rotatable_Bond_Count	32
83224	Mono_Isotopic_Weight	214.15689456
57358493	Hydrogen_Bond_Donor_Count	4
734999	Non-hydrogen_Atom_Count	24
2734236	Exact_Mass	218.04186
74652199	TPSA	55.3
71142	Structure_Complexity	516
8271	Rotatable_Bond_Count	2
87365092	Molecular_Weight	152.19
24978536	Undefined_Atom_Stereo_Count	0
10734	Structure_Complexity	154
102657	Rotatable_Bond_Count	2
18458	Rotatable_Bond_Count	2
162990682	Structure_Complexity	1220
71459168	Total_Formal_Charge	0
105131	Molecular_Weight	122.95
3879	Undefined_Atom_Stereo_Count	26
76969110	Mono_Isotopic_Weight	1140.59812858
70339927	Molecular_Weight	84.12
121596688	Exact_Mass	1564.87256155
3299	Total_Formal_Charge	0
81909	XLogP3	2
2673	Covalent_Unit_Count	1
13507024	XLogP3-AA	2.7
60196348	Hydrogen_Bond_Donor_Count	1
91575456	Defined_Atom_Stereo_Count	0
12769779	TPSA	12
61101	Tautomer_Count	1
68017365	Isotope_Atom_Count	0
3033972	Molecular_Weight	257.86
22385729	Defined_Bond_Stereo_Count	0
29976098	Rotatable_Bond_Count	0
9861	TPSA	20.2
60196376	Hydrogen_Bond_Donor_Count	1
63991	Molecular_Weight	533.5
18616638	Structure_Complexity	91.5
71253	Mono_Isotopic_Weight	382.16747650
28718	Total_Formal_Charge	0
2533	Molecular_Weight	790.8
9877	Structure_Complexity	76.9
6148	Molecular_Weight	275.4
9298	Total_Formal_Charge	0
156618073	Exact_Mass	342.11621151
506605	Covalent_Unit_Count	1
71587897	Non-hydrogen_Atom_Count	37
82452	Exact_Mass	152.083729621
51001299	Defined_Atom_Stereo_Count	0
163050684	TPSA	57.2
1960	Hydrogen_Bond_Acceptor_Count	4
34515	Isotope_Atom_Count	0
10197954	TPSA	110
121492767	Total_Formal_Charge	0
77160509	Exact_Mass	85.089149355
10364560	XLogP3-AA	2
44229138	Hydrogen_Bond_Acceptor_Count	3
143562	Covalent_Unit_Count	1
91933514	Structure_Complexity	3700
57674785	Exact_Mass	111.068413911
610072	Molecular_Weight	222.37
9552077	Covalent_Unit_Count	7
11519070	Undefined_Bond_Stereo_Count	0
16049024	Total_Formal_Charge	0
72214	Hydrogen_Bond_Acceptor_Count	7
573598	Undefined_Atom_Stereo_Count	0
134694678	Isotope_Atom_Count	0
40846579	Hydrogen_Bond_Donor_Count	2
5460389	Mono_Isotopic_Weight	167.03443370
4823	Mono_Isotopic_Weight	334.14297583
136353	Molecular_Weight	86.09
20055283	Mono_Isotopic_Weight	920.40417981
118654527	Mono_Isotopic_Weight	284.16237386
79811	Exact_Mass	159.0199395
5311071	Undefined_Atom_Stereo_Count	0
69245	Tautomer_Count	1
98306	Defined_Bond_Stereo_Count	0
76482	Total_Formal_Charge	0
11768551	Exact_Mass	116.083729621
278715	Hydrogen_Bond_Donor_Count	0
70582	Molecular_Weight	328.16
86231890	Defined_Bond_Stereo_Count	0
21450	Defined_Atom_Stereo_Count	0
2987927	Undefined_Atom_Stereo_Count	1
4211	Covalent_Unit_Count	1
150748	Total_Formal_Charge	0
12262509	Defined_Atom_Stereo_Count	1
69935742	TPSA	52
3082052	Undefined_Bond_Stereo_Count	0
651092	Exact_Mass	331.10314248
13257	Hydrogen_Bond_Donor_Count	0
23661981	Defined_Atom_Stereo_Count	0
10568280	XLogP3-AA	2
15926139	Covalent_Unit_Count	1
360	Total_Formal_Charge	0
12431744	Isotope_Atom_Count	0
12160932	Defined_Atom_Stereo_Count	0
21496049	Defined_Atom_Stereo_Count	0
23551636	Total_Formal_Charge	0
9956222	Exact_Mass	467.17058756
4671	Isotope_Atom_Count	0
1779	TPSA	66.4
75712	Undefined_Bond_Stereo_Count	0
6078	Undefined_Atom_Stereo_Count	0
45972	XLogP3-AA	4
6453603	Defined_Atom_Stereo_Count	0
1390	Defined_Atom_Stereo_Count	0
5282184	Hydrogen_Bond_Donor_Count	0
5154	TPSA	40.8
9801640	Covalent_Unit_Count	1
10023245	Covalent_Unit_Count	1
185617	Total_Formal_Charge	0
49855250	Hydrogen_Bond_Donor_Count	2
4900	Rotatable_Bond_Count	2
65659	Total_Formal_Charge	0
68154	Tautomer_Count	1
15932798	Isotope_Atom_Count	0
91820403	Defined_Bond_Stereo_Count	0
5447	Hydrogen_Bond_Donor_Count	2
56036	Covalent_Unit_Count	1
66083	Covalent_Unit_Count	1
15980171	Undefined_Bond_Stereo_Count	0
67979	Non-hydrogen_Atom_Count	11
564558	Molecular_Weight	168.23
1971	Isotope_Atom_Count	0
12323351	Structure_Complexity	66.7
64722	Hydrogen_Bond_Donor_Count	1
445904	Undefined_Bond_Stereo_Count	0
4268635	Mono_Isotopic_Weight	152.0392780
44453028	Covalent_Unit_Count	2
2901	Isotope_Atom_Count	0
54434340	Structure_Complexity	114
73376	Exact_Mass	207.03877100
167451	TPSA	27.8
6442439	Covalent_Unit_Count	1
6437358	Molecular_Weight	625.7
9908880	Exact_Mass	399.16191458
4169160	Undefined_Atom_Stereo_Count	1
22981451	Undefined_Bond_Stereo_Count	0
39593	Undefined_Atom_Stereo_Count	0
88089033	Molecular_Weight	100.16
4141522	Molecular_Weight	169.20
542420	Isotope_Atom_Count	0
44349928	Rotatable_Bond_Count	4
6915836	Hydrogen_Bond_Acceptor_Count	9
60209141	Tautomer_Count	36
443156	Hydrogen_Bond_Acceptor_Count	0
54149606	TPSA	41.1
16134395	Defined_Atom_Stereo_Count	13
23505018	Exact_Mass	116.083729621
4004	Isotope_Atom_Count	0
15884	Structure_Complexity	169
71460924	TPSA	99.2
9068	Defined_Bond_Stereo_Count	0
97135	Defined_Bond_Stereo_Count	0
7348	Defined_Atom_Stereo_Count	0
142464198	Defined_Bond_Stereo_Count	0
8176	Isotope_Atom_Count	0
73919	Hydrogen_Bond_Acceptor_Count	1
582251	Non-hydrogen_Atom_Count	6
6427097	Total_Formal_Charge	0
6145931	Total_Formal_Charge	0
7652	Hydrogen_Bond_Donor_Count	0
67085	Hydrogen_Bond_Acceptor_Count	2
60195903	Covalent_Unit_Count	1
5534	Defined_Atom_Stereo_Count	0
24838347	Structure_Complexity	187
57229732	Total_Formal_Charge	0
11414871	Structure_Complexity	349
257950	Structure_Complexity	160
53987564	Hydrogen_Bond_Donor_Count	2
101643292	Exact_Mass	523.88944278
72390	Total_Formal_Charge	0
106567	Total_Formal_Charge	0
97391	Molecular_Weight	142.20
5506	Hydrogen_Bond_Acceptor_Count	2
6112114	Covalent_Unit_Count	1
1667	Isotope_Atom_Count	0
637927	Isotope_Atom_Count	0
522354	Isotope_Atom_Count	0
92253	Undefined_Atom_Stereo_Count	0
67030919	Undefined_Atom_Stereo_Count	0
25058126	Hydrogen_Bond_Donor_Count	5
15950085	Non-hydrogen_Atom_Count	31
138107735	TPSA	272
7156	Hydrogen_Bond_Acceptor_Count	2
23617351	Total_Formal_Charge	0
637921	Total_Formal_Charge	0
88974	Rotatable_Bond_Count	0
90184753	Defined_Bond_Stereo_Count	0
14967651	TPSA	17.1
9861780	Hydrogen_Bond_Acceptor_Count	8
59336	Undefined_Atom_Stereo_Count	0
12830793	Exact_Mass	114.104465066
8418	XLogP3	4.4
18722856	Structure_Complexity	106
25079425	Total_Formal_Charge	0
3000479	Total_Formal_Charge	0
86022	Undefined_Atom_Stereo_Count	2
123779724	Mono_Isotopic_Weight	112.088815002
134283942	TPSA	20.3
5352130	Isotope_Atom_Count	0
60654	Defined_Bond_Stereo_Count	0
6489	XLogP3	2.3
41287	Hydrogen_Bond_Donor_Count	1
123304022	Total_Formal_Charge	0
69064	Total_Formal_Charge	0
123600	Tautomer_Count	5
140557163	Mono_Isotopic_Weight	94.078250319
68629	Total_Formal_Charge	0
403016	Structure_Complexity	775
9256	Isotope_Atom_Count	0
87064200	Undefined_Atom_Stereo_Count	0
11614	Structure_Complexity	43.3
20055424	XLogP3-AA	2.7
118	Undefined_Atom_Stereo_Count	0
18310	Mono_Isotopic_Weight	254.073164938
24453	Total_Formal_Charge	0
439456	TPSA	261
89576913	Defined_Atom_Stereo_Count	0
134715513	Exact_Mass	1000.38411307
132327702	Defined_Atom_Stereo_Count	0
980	Undefined_Bond_Stereo_Count	0
102601371	Defined_Bond_Stereo_Count	0
57224326	Hydrogen_Bond_Acceptor_Count	1
14587284	Mono_Isotopic_Weight	99.032028402
283	Isotope_Atom_Count	0
75690	Undefined_Atom_Stereo_Count	0
154081962	Non-hydrogen_Atom_Count	7
12599701	Hydrogen_Bond_Donor_Count	1
3573	Undefined_Atom_Stereo_Count	12
135	Tautomer_Count	8
17321	Structure_Complexity	220
19040543	Total_Formal_Charge	0
84703	Rotatable_Bond_Count	14
522251	Defined_Bond_Stereo_Count	0
155465	Undefined_Bond_Stereo_Count	0
38884	Total_Formal_Charge	0
44134949	Undefined_Bond_Stereo_Count	0
86761	Covalent_Unit_Count	1
11310242	Undefined_Bond_Stereo_Count	0
491728	Molecular_Weight	475.4
11955855	Hydrogen_Bond_Acceptor_Count	6
14552708	Rotatable_Bond_Count	12
162349	Rotatable_Bond_Count	6
778602	Total_Formal_Charge	0
85325038	Undefined_Atom_Stereo_Count	2
5017	Undefined_Bond_Stereo_Count	0
22369295	Molecular_Weight	114.17
85254	Hydrogen_Bond_Donor_Count	1
129800396	Hydrogen_Bond_Acceptor_Count	3
456255	Undefined_Bond_Stereo_Count	0
71395877	XLogP3-AA	2.2
159199	Non-hydrogen_Atom_Count	9
71451930	TPSA	99.2
5663	Isotope_Atom_Count	0
53316138	TPSA	170
7568485	Total_Formal_Charge	0
586156	Molecular_Weight	137.14
10248	Rotatable_Bond_Count	5
135565472	Hydrogen_Bond_Acceptor_Count	7
65246	Covalent_Unit_Count	1
138026	Structure_Complexity	96.6
18182	Undefined_Atom_Stereo_Count	0
3080818	TPSA	59.4
96327587	Rotatable_Bond_Count	6
149026	Undefined_Bond_Stereo_Count	0
101658	Defined_Atom_Stereo_Count	0
6426773	TPSA	136
55973	Undefined_Atom_Stereo_Count	0
5930	Hydrogen_Bond_Donor_Count	6
124809074	TPSA	272
86767860	Rotatable_Bond_Count	1
3588	Structure_Complexity	634
2863	Defined_Bond_Stereo_Count	0
17684448	Structure_Complexity	279
11521070	Hydrogen_Bond_Donor_Count	1
3182	Defined_Atom_Stereo_Count	0
71306	TPSA	401
7847	Molecular_Weight	56.06
74190	Hydrogen_Bond_Acceptor_Count	4
8393	Undefined_Atom_Stereo_Count	0
931	Hydrogen_Bond_Donor_Count	0
35	Rotatable_Bond_Count	2
66579015	Total_Formal_Charge	0
5475158	TPSA	57.6
70671195	Defined_Bond_Stereo_Count	0
18199	Hydrogen_Bond_Acceptor_Count	2
56842993	Total_Formal_Charge	0
12590282	Hydrogen_Bond_Donor_Count	0
1115	Undefined_Atom_Stereo_Count	9
1293762	Isotope_Atom_Count	0
1333	Undefined_Bond_Stereo_Count	0
586156	Undefined_Atom_Stereo_Count	0
16155604	Defined_Atom_Stereo_Count	19
18195	Defined_Atom_Stereo_Count	0
53240376	Mono_Isotopic_Weight	726.07603
133084	Hydrogen_Bond_Acceptor_Count	5
647	Rotatable_Bond_Count	5
166581	Tautomer_Count	44
688311	Undefined_Bond_Stereo_Count	1
71459166	Undefined_Atom_Stereo_Count	1
70933	Tautomer_Count	1
13045210	Defined_Bond_Stereo_Count	0
4675	Rotatable_Bond_Count	6
72800595	Molecular_Weight	114.14
66219	Isotope_Atom_Count	0
71464628	Structure_Complexity	641
535188	Isotope_Atom_Count	0
24977371	Rotatable_Bond_Count	2
4141522	Structure_Complexity	149
18591	Structure_Complexity	46
19738210	Hydrogen_Bond_Donor_Count	1
68466	Undefined_Atom_Stereo_Count	0
64502	Undefined_Atom_Stereo_Count	0
12734620	Undefined_Bond_Stereo_Count	0
124409111	Mono_Isotopic_Weight	342.11621151
22221737	Covalent_Unit_Count	2
24848367	Defined_Atom_Stereo_Count	0
66586067	Structure_Complexity	316
16131300	Hydrogen_Bond_Acceptor_Count	46
9827982	Defined_Atom_Stereo_Count	0
11228183	Molecular_Weight	813.4
23677323	Structure_Complexity	220
123832392	Hydrogen_Bond_Donor_Count	0
129679806	Undefined_Bond_Stereo_Count	0
8795	Covalent_Unit_Count	1
74080	Molecular_Weight	106.13
71517366	Hydrogen_Bond_Acceptor_Count	8
68022407	Defined_Atom_Stereo_Count	0
78972	Rotatable_Bond_Count	0
35020890	Covalent_Unit_Count	1
37890	Rotatable_Bond_Count	3
71449750	Structure_Complexity	726
11815284	TPSA	21.3
90915688	Defined_Atom_Stereo_Count	0
13751	Undefined_Bond_Stereo_Count	0
442993	Defined_Bond_Stereo_Count	0
590556	Exact_Mass	148.03851076
19665	Total_Formal_Charge	0
73285	Hydrogen_Bond_Donor_Count	0
136888	Covalent_Unit_Count	1
133679779	Hydrogen_Bond_Acceptor_Count	1
24426	Total_Formal_Charge	0
20055414	Covalent_Unit_Count	1
101798	Defined_Atom_Stereo_Count	5
54071	Mono_Isotopic_Weight	244.0978555
213020	Structure_Complexity	324
37392	Undefined_Atom_Stereo_Count	1
5289024	Covalent_Unit_Count	1
1397	Non-hydrogen_Atom_Count	47
595921	Tautomer_Count	1
134980383	Isotope_Atom_Count	0
403802	Undefined_Bond_Stereo_Count	0
6048	Defined_Atom_Stereo_Count	0
11543095	Hydrogen_Bond_Donor_Count	0
89859387	Non-hydrogen_Atom_Count	8
53323740	Structure_Complexity	373
260809	Non-hydrogen_Atom_Count	9
23599502	Undefined_Bond_Stereo_Count	0
139081837	Hydrogen_Bond_Acceptor_Count	4
10796703	Structure_Complexity	76.2
68019	Hydrogen_Bond_Donor_Count	0
9141	Hydrogen_Bond_Acceptor_Count	1
9164	Mono_Isotopic_Weight	278.109550447
447001	Hydrogen_Bond_Donor_Count	4
15788110	Hydrogen_Bond_Donor_Count	3
16775060	Undefined_Bond_Stereo_Count	0
1560	Defined_Atom_Stereo_Count	0
8073	Covalent_Unit_Count	1
53856717	Molecular_Weight	99.13
16854	Tautomer_Count	3
5283387	Rotatable_Bond_Count	15
7825	Covalent_Unit_Count	1
129317940	Defined_Atom_Stereo_Count	1
201734	Hydrogen_Bond_Acceptor_Count	3
55560	Molecular_Weight	554.7
11957721	Molecular_Weight	538.6
439530	Total_Formal_Charge	0
5497143	Defined_Bond_Stereo_Count	1
79577298	TPSA	29.5
230076	Mono_Isotopic_Weight	1084.47265329
135413554	Mono_Isotopic_Weight	266.0570533
83270	Defined_Atom_Stereo_Count	0
12304094	Isotope_Atom_Count	0
3359	Undefined_Bond_Stereo_Count	0
10329273	Hydrogen_Bond_Donor_Count	1
20907	Hydrogen_Bond_Donor_Count	3
440122	TPSA	247
446715	Defined_Bond_Stereo_Count	0
77048	Defined_Bond_Stereo_Count	0
3035241	Mono_Isotopic_Weight	323.1400546
20859	Exact_Mass	104.083729621
5746249	Non-hydrogen_Atom_Count	33
124918412	XLogP3-AA	2.7
8265	XLogP3-AA	2.4
9837419	Hydrogen_Bond_Acceptor_Count	0
118053313	Defined_Atom_Stereo_Count	0
577543	Total_Formal_Charge	0
47884	Defined_Atom_Stereo_Count	0
10478142	Non-hydrogen_Atom_Count	28
23688957	Hydrogen_Bond_Donor_Count	1
89150	XLogP3	1.1
3430	Total_Formal_Charge	0
11493598	Total_Formal_Charge	0
55007	Mono_Isotopic_Weight	304.088815002
95890	TPSA	17.8
476	Defined_Atom_Stereo_Count	0
9047	Structure_Complexity	376
12305	Non-hydrogen_Atom_Count	7
319715	Undefined_Atom_Stereo_Count	2
11768503	Total_Formal_Charge	0
53997645	Rotatable_Bond_Count	2
7343	Mono_Isotopic_Weight	114.068079557
411828	Covalent_Unit_Count	1
108218	Rotatable_Bond_Count	5
160796	Undefined_Atom_Stereo_Count	1
1074953	Undefined_Bond_Stereo_Count	0
138860	Mono_Isotopic_Weight	104.062600255
54224045	Isotope_Atom_Count	0
70129	Structure_Complexity	139
528917	Hydrogen_Bond_Acceptor_Count	2
10246505	Mono_Isotopic_Weight	338.11542367
49865496	Defined_Bond_Stereo_Count	0
88043	Rotatable_Bond_Count	1
12895043	TPSA	60.7
3017320	Mono_Isotopic_Weight	96.093900383
39617	Rotatable_Bond_Count	3
5460024	Undefined_Bond_Stereo_Count	0
66342	Structure_Complexity	309
141849	Structure_Complexity	70.4
23349	XLogP3-AA	0.3
46780152	Structure_Complexity	688
11063855	Mono_Isotopic_Weight	216.208930132
12965	Structure_Complexity	68.5
124202844	Non-hydrogen_Atom_Count	32
5289534	TPSA	146
65552	Molecular_Weight	747.83
7111	TPSA	52
7469	Undefined_Bond_Stereo_Count	0
43860	Rotatable_Bond_Count	4
687	Undefined_Atom_Stereo_Count	3
21490223	Hydrogen_Bond_Donor_Count	1
8906	Non-hydrogen_Atom_Count	18
5329056	Covalent_Unit_Count	1
446080	Undefined_Bond_Stereo_Count	0
156369283	Rotatable_Bond_Count	2
53714679	Rotatable_Bond_Count	0
54392998	Undefined_Atom_Stereo_Count	1
60873	Defined_Bond_Stereo_Count	0
9807	Hydrogen_Bond_Donor_Count	0
135391135	XLogP3-AA	6.8
109325	Exact_Mass	221.9753576
1222	Covalent_Unit_Count	1
86821	Molecular_Weight	414.7
6456014	Mono_Isotopic_Weight	433.20015635
67615000	Isotope_Atom_Count	0
836	Defined_Atom_Stereo_Count	0
7527	Isotope_Atom_Count	0
9810771	Non-hydrogen_Atom_Count	49
43672	Undefined_Bond_Stereo_Count	0
78148	Covalent_Unit_Count	1
70977832	Mono_Isotopic_Weight	112.088815002
44144456	Molecular_Weight	56.35
35912	Isotope_Atom_Count	0
104933	Isotope_Atom_Count	0
6712980	Exact_Mass	98.036779430
12630265	Rotatable_Bond_Count	0
7183	Total_Formal_Charge	0
3068840	Defined_Bond_Stereo_Count	0
3018598	Molecular_Weight	327.40
8018	Structure_Complexity	16.4
88318	Undefined_Atom_Stereo_Count	0
25023853	Covalent_Unit_Count	1
422478	Mono_Isotopic_Weight	119.073499291
62871	TPSA	61.3
10964456	Tautomer_Count	3
17074527	Non-hydrogen_Atom_Count	8
21537113	TPSA	74.6
98650	Tautomer_Count	1
272833	Mono_Isotopic_Weight	364.10929292
10081060	Mono_Isotopic_Weight	183.07390984
123971568	Covalent_Unit_Count	1
153767626	Covalent_Unit_Count	1
6982	Defined_Bond_Stereo_Count	0
13546	Defined_Bond_Stereo_Count	0
23683747	TPSA	87.2
70480837	Exact_Mass	109.027611728
166548151	Undefined_Atom_Stereo_Count	0
95010	Covalent_Unit_Count	1
137295283	Mono_Isotopic_Weight	690.11624602
99564	Rotatable_Bond_Count	1
28327	Exact_Mass	490.0846756
54376298	Total_Formal_Charge	0
23712863	Undefined_Bond_Stereo_Count	0
125461706	Rotatable_Bond_Count	6
252325	Structure_Complexity	86.2
129860447	Exact_Mass	87.068413911
83864777	Rotatable_Bond_Count	0
5726	Undefined_Bond_Stereo_Count	0
2724192	Tautomer_Count	1
5326159	Undefined_Bond_Stereo_Count	0
66545759	Structure_Complexity	880
69089	Total_Formal_Charge	0
23630065	Defined_Atom_Stereo_Count	0
22385449	Defined_Atom_Stereo_Count	0
142738	Molecular_Weight	108.18
6378	Hydrogen_Bond_Acceptor_Count	1
61059	Hydrogen_Bond_Donor_Count	2
6420019	Non-hydrogen_Atom_Count	21
135398596	Defined_Atom_Stereo_Count	3
13664	Non-hydrogen_Atom_Count	13
642197	Molecular_Weight	124.99
101254313	Covalent_Unit_Count	1
129738943	Hydrogen_Bond_Acceptor_Count	2
5280881	Exact_Mass	334.21440943
22613925	Isotope_Atom_Count	0
12299881	Defined_Atom_Stereo_Count	4
521158	Hydrogen_Bond_Donor_Count	1
164608	Total_Formal_Charge	0
15810462	Covalent_Unit_Count	1
9841	Molecular_Weight	120.12
9807600	Exact_Mass	547.99053
173	Hydrogen_Bond_Acceptor_Count	4
2723755	Hydrogen_Bond_Donor_Count	0
154809859	Exact_Mass	665.30474055
138991601	XLogP3-AA	4.6
58242	Undefined_Bond_Stereo_Count	0
10630437	Hydrogen_Bond_Donor_Count	0
8763	Rotatable_Bond_Count	11
11477651	Undefined_Atom_Stereo_Count	0
165664742	Mono_Isotopic_Weight	98.036779430
3661	Undefined_Bond_Stereo_Count	0
653419	Total_Formal_Charge	0
76564	Total_Formal_Charge	0
5324489	Molecular_Weight	100.16
113415	Defined_Atom_Stereo_Count	0
3033677	Exact_Mass	411.14167629
6452749	Covalent_Unit_Count	2
38882	Hydrogen_Bond_Donor_Count	4
67683363	Undefined_Atom_Stereo_Count	0
8766	Undefined_Bond_Stereo_Count	0
124085867	Structure_Complexity	779
20055342	Hydrogen_Bond_Acceptor_Count	14
9886	Structure_Complexity	62.7
4744464	XLogP3-AA	1.7
97865	Defined_Atom_Stereo_Count	0
300977	Exact_Mass	89.084063974
54288820	Undefined_Atom_Stereo_Count	1
11243536	Hydrogen_Bond_Acceptor_Count	2
72276	Total_Formal_Charge	0
123525	Hydrogen_Bond_Acceptor_Count	1
154517172	Molecular_Weight	97.16
69260851	Structure_Complexity	571
53316417	Covalent_Unit_Count	2
12559164	TPSA	0
637932	Undefined_Atom_Stereo_Count	0
119095542	Isotope_Atom_Count	0
139149	Defined_Bond_Stereo_Count	0
6999801	Covalent_Unit_Count	1
71583051	Structure_Complexity	614
3032282	Mono_Isotopic_Weight	734.56998054
694052	Defined_Atom_Stereo_Count	1
90643	Covalent_Unit_Count	1
632835	XLogP3-AA	2.7
6263	Structure_Complexity	45.5
130659	Exact_Mass	502.97075483
73480	Hydrogen_Bond_Donor_Count	2
9839243	Molecular_Weight	298.4
73773	Covalent_Unit_Count	1
5351130	Hydrogen_Bond_Acceptor_Count	14
108352	Undefined_Bond_Stereo_Count	0
12597	Rotatable_Bond_Count	0
92965	Isotope_Atom_Count	0
76487	Undefined_Atom_Stereo_Count	0
135403805	Rotatable_Bond_Count	3
381117	Mono_Isotopic_Weight	272.03679668
162839	Defined_Atom_Stereo_Count	0
60825	Molecular_Weight	229.26
138109343	Undefined_Atom_Stereo_Count	2
57057991	Defined_Atom_Stereo_Count	0
8367	Defined_Bond_Stereo_Count	0
7617	Structure_Complexity	92.1
14392758	Undefined_Bond_Stereo_Count	0
39018	Defined_Atom_Stereo_Count	0
89664	Structure_Complexity	215
57074	Non-hydrogen_Atom_Count	26
28557	Defined_Bond_Stereo_Count	0
53384918	Isotope_Atom_Count	0
448925	TPSA	190
67030919	Isotope_Atom_Count	0
34474	Hydrogen_Bond_Donor_Count	0
13236258	Mono_Isotopic_Weight	99.068413911
54582823	Undefined_Bond_Stereo_Count	0
9797055	Defined_Bond_Stereo_Count	0
22220113	TPSA	59.2
3054073	Non-hydrogen_Atom_Count	5
141738	Hydrogen_Bond_Acceptor_Count	0
10866285	Mono_Isotopic_Weight	110.084398327
121945	Defined_Bond_Stereo_Count	0
135444779	Covalent_Unit_Count	1
56149	Covalent_Unit_Count	1
9885355	Hydrogen_Bond_Donor_Count	2
72765870	Exact_Mass	251.094628657
66559017	Rotatable_Bond_Count	4
24635	Hydrogen_Bond_Acceptor_Count	2
204	Isotope_Atom_Count	0
8892	TPSA	37.3
11504350	Exact_Mass	505.2132196
24892775	Exact_Mass	530.07027744
105101	Molecular_Weight	308.0
86590530	Hydrogen_Bond_Donor_Count	0
41634	Mono_Isotopic_Weight	337.0239443
3332	Undefined_Atom_Stereo_Count	0
75502	XLogP3	7.5
5489638	Undefined_Atom_Stereo_Count	0
64218	Isotope_Atom_Count	0
162883448	Undefined_Bond_Stereo_Count	0
23663407	Rotatable_Bond_Count	4
443936	Defined_Atom_Stereo_Count	8
20912	Structure_Complexity	93.8
7	Defined_Bond_Stereo_Count	0
4938	Isotope_Atom_Count	0
76961009	Isotope_Atom_Count	0
478809	Covalent_Unit_Count	1
39700	Rotatable_Bond_Count	4
1155	Covalent_Unit_Count	1
44454985	Hydrogen_Bond_Donor_Count	3
441921	Structure_Complexity	1700
119544	Hydrogen_Bond_Acceptor_Count	3
2793	Exact_Mass	480.2655895
4850	XLogP3-AA	1.8
513955	Mono_Isotopic_Weight	653.32470541
54584775	Non-hydrogen_Atom_Count	21
3649	Tautomer_Count	1
9961939	Mono_Isotopic_Weight	726.07603
9547928	Isotope_Atom_Count	0
656892	Undefined_Atom_Stereo_Count	0
44521023	Total_Formal_Charge	0
17613	Exact_Mass	150.0811428
73759663	TPSA	93.1
5366546	Undefined_Bond_Stereo_Count	0
126963424	Hydrogen_Bond_Donor_Count	0
12842107	Defined_Atom_Stereo_Count	0
45480603	Hydrogen_Bond_Donor_Count	3
6440792	Undefined_Atom_Stereo_Count	0
10130220	Defined_Atom_Stereo_Count	4
543565	Undefined_Bond_Stereo_Count	0
8207	TPSA	20.2
131704328	Non-hydrogen_Atom_Count	26
3083659	Isotope_Atom_Count	0
24756910	Covalent_Unit_Count	1
42609805	Hydrogen_Bond_Acceptor_Count	14
3037914	Non-hydrogen_Atom_Count	28
9800194	Exact_Mass	383.09734851
44520	Covalent_Unit_Count	1
50993724	Covalent_Unit_Count	1
21750168	Mono_Isotopic_Weight	128.047344113
5288266	Non-hydrogen_Atom_Count	17
1443	Structure_Complexity	428
8398	Non-hydrogen_Atom_Count	25
28187	Defined_Bond_Stereo_Count	0
59279784	Defined_Atom_Stereo_Count	0
83287	Undefined_Bond_Stereo_Count	0
89040398	Undefined_Bond_Stereo_Count	0
3081361	Undefined_Bond_Stereo_Count	0
137843	Rotatable_Bond_Count	2
150855	Structure_Complexity	660
6537488	Mono_Isotopic_Weight	199.04807239
5282321	Hydrogen_Bond_Donor_Count	3
543885	Structure_Complexity	66.4
349252	Hydrogen_Bond_Acceptor_Count	2
24721103	Undefined_Atom_Stereo_Count	2
69049742	Undefined_Atom_Stereo_Count	2
561861	Hydrogen_Bond_Donor_Count	1
57148	Molecular_Weight	269.25
32731	Exact_Mass	336.04706368
62379	Hydrogen_Bond_Donor_Count	0
94222	Rotatable_Bond_Count	3
4513	Exact_Mass	331.11366728
15942892	Defined_Bond_Stereo_Count	0
17163	TPSA	21.8
24672	Exact_Mass	432.99260866
10866295	TPSA	52
2958	Undefined_Atom_Stereo_Count	6
225	Defined_Bond_Stereo_Count	0
73744469	Exact_Mass	581.1663885
13485108	Defined_Bond_Stereo_Count	0
5281167	Hydrogen_Bond_Acceptor_Count	1
85859507	Defined_Bond_Stereo_Count	0
56955184	Defined_Bond_Stereo_Count	0
128549	Exact_Mass	402.21547206
3000469	Undefined_Bond_Stereo_Count	0
3033842	Undefined_Atom_Stereo_Count	1
46866319	Rotatable_Bond_Count	6
71124	Exact_Mass	702.29817356
11080	Hydrogen_Bond_Acceptor_Count	2
168088	Structure_Complexity	442
11178236	Defined_Atom_Stereo_Count	0
45791261	Covalent_Unit_Count	1
1664	Undefined_Atom_Stereo_Count	1
76957773	Isotope_Atom_Count	0
28280	Hydrogen_Bond_Donor_Count	6
91981561	Defined_Bond_Stereo_Count	0
7221	Structure_Complexity	101
129696858	Defined_Bond_Stereo_Count	0
3018793	Defined_Bond_Stereo_Count	0
90996709	Hydrogen_Bond_Acceptor_Count	1
16051586	Non-hydrogen_Atom_Count	29
120070	Hydrogen_Bond_Donor_Count	0
37034	Defined_Bond_Stereo_Count	0
23525993	Structure_Complexity	91.1
5238474	Exact_Mass	262.121846464
59665343	Isotope_Atom_Count	0
135415564	Exact_Mass	846.44150881
13349550	Defined_Atom_Stereo_Count	0
12229396	Undefined_Atom_Stereo_Count	0
118216	Defined_Bond_Stereo_Count	0
160205454	Exact_Mass	284.16237386
99382	Hydrogen_Bond_Acceptor_Count	0
44442027	Covalent_Unit_Count	1
79003661	Hydrogen_Bond_Donor_Count	1
53394675	Hydrogen_Bond_Donor_Count	1
18644925	Total_Formal_Charge	0
41663	Rotatable_Bond_Count	1
42796	Isotope_Atom_Count	0
6001	Non-hydrogen_Atom_Count	20
50990393	Mono_Isotopic_Weight	923.48784986
13570516	Covalent_Unit_Count	1
122345	TPSA	90.4
7003	Defined_Atom_Stereo_Count	0
12984095	Undefined_Atom_Stereo_Count	1
9568700	Hydrogen_Bond_Acceptor_Count	5
24848343	Structure_Complexity	289
714	Total_Formal_Charge	0
69803	Rotatable_Bond_Count	4
101603227	XLogP3-AA	6.1
6096207	Covalent_Unit_Count	1
14385	Undefined_Atom_Stereo_Count	0
18727537	Undefined_Bond_Stereo_Count	0
97012111	Mono_Isotopic_Weight	342.11621151
60155366	Hydrogen_Bond_Acceptor_Count	9
4359436	Hydrogen_Bond_Acceptor_Count	2
24883	TPSA	0
98365	Defined_Bond_Stereo_Count	0
135802074	Molecular_Weight	601.6
23423	Hydrogen_Bond_Acceptor_Count	6
2794575	Total_Formal_Charge	0
441289	Molecular_Weight	572.9
1413	Mono_Isotopic_Weight	320.23514488
255	Molecular_Weight	340.18
13696436	Covalent_Unit_Count	1
72286622	Isotope_Atom_Count	0
5281951	Defined_Atom_Stereo_Count	0
439501	Molecular_Weight	584.7
122534114	Undefined_Bond_Stereo_Count	0
528630	Mono_Isotopic_Weight	115.099714038
13039	Defined_Atom_Stereo_Count	0
88323	Hydrogen_Bond_Acceptor_Count	5
6986	Total_Formal_Charge	0
85445	Molecular_Weight	214.64
95285	Tautomer_Count	4
54742567	Exact_Mass	175.02426294
76969110	Non-hydrogen_Atom_Count	81
46906035	Defined_Bond_Stereo_Count	0
101050964	Undefined_Atom_Stereo_Count	2
20187	TPSA	50.8
5464097	Exact_Mass	402.21547206
59398673	XLogP3-AA	0.1
3032732	Rotatable_Bond_Count	9
232592	Undefined_Atom_Stereo_Count	1
63624	TPSA	90.8
10409873	Tautomer_Count	2
87468661	Structure_Complexity	124
27448	Exact_Mass	438.76997
29934831	Hydrogen_Bond_Donor_Count	0
7029	Defined_Atom_Stereo_Count	0
11752	Undefined_Atom_Stereo_Count	0
117938207	Isotope_Atom_Count	0
102738	Non-hydrogen_Atom_Count	14
71337442	Defined_Bond_Stereo_Count	0
53243273	Mono_Isotopic_Weight	115.063328530
430996	XLogP3-AA	4.2
64049	Hydrogen_Bond_Acceptor_Count	3
5284535	Mono_Isotopic_Weight	392.1390516
3715739	Molecular_Weight	219.27
10856744	Mono_Isotopic_Weight	210.04629874
23385871	Rotatable_Bond_Count	0
139064747	Non-hydrogen_Atom_Count	24
17354	Total_Formal_Charge	0
84623	Defined_Bond_Stereo_Count	0
10877070	Isotope_Atom_Count	0
57416910	Hydrogen_Bond_Acceptor_Count	3
629	Mono_Isotopic_Weight	423.18663154
66965363	Defined_Bond_Stereo_Count	0
22015942	Rotatable_Bond_Count	3
3394	TPSA	37.3
864	XLogP3-AA	1.7
3026856	Undefined_Atom_Stereo_Count	0
62662	Rotatable_Bond_Count	0
6440175	Molecular_Weight	585.7
98521	Hydrogen_Bond_Donor_Count	1
69070	Undefined_Bond_Stereo_Count	0
22016574	Mono_Isotopic_Weight	99.068413911
91353581	Non-hydrogen_Atom_Count	8
88709052	Undefined_Atom_Stereo_Count	2
12307804	Defined_Bond_Stereo_Count	0
89760664	Rotatable_Bond_Count	1
87114	Undefined_Bond_Stereo_Count	0
41268	Hydrogen_Bond_Donor_Count	1
21328181	Total_Formal_Charge	0
11815299	Exact_Mass	104.094963011
53895	Defined_Atom_Stereo_Count	0
885959	XLogP3-AA	3.1
135972	Hydrogen_Bond_Donor_Count	0
86510	Covalent_Unit_Count	1
52291	Hydrogen_Bond_Acceptor_Count	1
3047795	Total_Formal_Charge	0
87810	Total_Formal_Charge	0
38531	Structure_Complexity	310
28327	Covalent_Unit_Count	3
4154719	Hydrogen_Bond_Donor_Count	1
2659	Undefined_Atom_Stereo_Count	2
17572266	Covalent_Unit_Count	1
10761	Rotatable_Bond_Count	6
20871316	Mono_Isotopic_Weight	112.088815002
96221	Defined_Bond_Stereo_Count	0
66684245	Undefined_Atom_Stereo_Count	1
8788	Structure_Complexity	219
4669250	Tautomer_Count	5
12463	Rotatable_Bond_Count	0
10038849	Undefined_Bond_Stereo_Count	0
160538	Undefined_Atom_Stereo_Count	1
6610296	Hydrogen_Bond_Donor_Count	5
5551	XLogP3-AA	7.9
12425308	Exact_Mass	116.047344113
20306902	Covalent_Unit_Count	1
57286269	Defined_Atom_Stereo_Count	0
16078973	Isotope_Atom_Count	0
365	TPSA	389
1304	Isotope_Atom_Count	0
79632	TPSA	216
59966648	Undefined_Atom_Stereo_Count	2
71463825	Mono_Isotopic_Weight	1201.84136802
123776311	Covalent_Unit_Count	1
37822	Total_Formal_Charge	0
4011	Defined_Bond_Stereo_Count	0
49985	Structure_Complexity	249
100308	Defined_Atom_Stereo_Count	2
95162415	Undefined_Atom_Stereo_Count	0
445936	Undefined_Bond_Stereo_Count	0
145994360	Covalent_Unit_Count	1
286157	Non-hydrogen_Atom_Count	19
12263	Exact_Mass	101.047678466
20656311	Isotope_Atom_Count	0
92629	Undefined_Bond_Stereo_Count	0
680036	Covalent_Unit_Count	1
6628	Total_Formal_Charge	0
3084014	Hydrogen_Bond_Donor_Count	4
137808	Exact_Mass	93.057849228
544596	Non-hydrogen_Atom_Count	7
24848382	Covalent_Unit_Count	1
96424	Mono_Isotopic_Weight	353.01401281
5283731	Structure_Complexity	655
2890	Exact_Mass	247.12084340
866	Defined_Atom_Stereo_Count	0
61660	Non-hydrogen_Atom_Count	10
21158442	Structure_Complexity	688
6079	Undefined_Bond_Stereo_Count	0
14354	Undefined_Atom_Stereo_Count	0
2485	Undefined_Bond_Stereo_Count	0
24978601	Defined_Bond_Stereo_Count	1
5963	Undefined_Atom_Stereo_Count	0
61290	TPSA	26.3
645886	Defined_Bond_Stereo_Count	0
117295	Defined_Bond_Stereo_Count	0
124809075	Defined_Atom_Stereo_Count	16
104610	Total_Formal_Charge	0
10575614	Molecular_Weight	452.5
13792437	Undefined_Atom_Stereo_Count	0
192154	Defined_Atom_Stereo_Count	7
90953484	Mono_Isotopic_Weight	110.109550447
88929423	Defined_Atom_Stereo_Count	0
130143669	Undefined_Atom_Stereo_Count	4
13518101	Hydrogen_Bond_Acceptor_Count	6
693050	Undefined_Bond_Stereo_Count	0
75184787	Undefined_Atom_Stereo_Count	1
24807614	Non-hydrogen_Atom_Count	53
11007	Structure_Complexity	123
9265	Undefined_Atom_Stereo_Count	0
980	Mono_Isotopic_Weight	139.026943022
5237030	TPSA	80.3
5283748	XLogP3-AA	5
39094	Total_Formal_Charge	0
7701	Undefined_Atom_Stereo_Count	0
54682505	Structure_Complexity	558
2394	Structure_Complexity	2300
18142	Undefined_Atom_Stereo_Count	0
449015	Covalent_Unit_Count	1
6993809	Undefined_Atom_Stereo_Count	0
10701	Non-hydrogen_Atom_Count	8
45357796	Undefined_Atom_Stereo_Count	0
6436082	Total_Formal_Charge	0
204874	Total_Formal_Charge	0
527526	Hydrogen_Bond_Acceptor_Count	0
518760	Tautomer_Count	1
26430	Exact_Mass	344.13809112
120303	Non-hydrogen_Atom_Count	8
69777941	Non-hydrogen_Atom_Count	12
10197622	Exact_Mass	87.068413911
10428273	Covalent_Unit_Count	1
6237	Non-hydrogen_Atom_Count	22
4866	Covalent_Unit_Count	1
31101	TPSA	118
69340519	XLogP3-AA	0.4
3435	Defined_Bond_Stereo_Count	0
11320921	Defined_Atom_Stereo_Count	0
77470	Undefined_Bond_Stereo_Count	0
136305444	Total_Formal_Charge	0
431631	Molecular_Weight	100.12
448043	Structure_Complexity	476
220	Structure_Complexity	234
11788264	TPSA	12
529341	Non-hydrogen_Atom_Count	8
13803506	Undefined_Atom_Stereo_Count	0
170563	Hydrogen_Bond_Donor_Count	2
8927	Non-hydrogen_Atom_Count	19
14591	Rotatable_Bond_Count	5
80790	Rotatable_Bond_Count	2
92043261	Structure_Complexity	117
66099	Tautomer_Count	10
5311309	Total_Formal_Charge	0
78373	Isotope_Atom_Count	0
80108978	Undefined_Bond_Stereo_Count	0
10337	Defined_Atom_Stereo_Count	0
3262018	Hydrogen_Bond_Acceptor_Count	3
103563227	Defined_Bond_Stereo_Count	0
2752647	Non-hydrogen_Atom_Count	7
9797055	Total_Formal_Charge	0
5246258	Rotatable_Bond_Count	1
55287924	Undefined_Atom_Stereo_Count	1
68842	Tautomer_Count	4
788781	XLogP3-AA	4.3
25203153	Defined_Atom_Stereo_Count	0
16739648	Hydrogen_Bond_Acceptor_Count	3
39539	TPSA	15.8
22379	Defined_Bond_Stereo_Count	0
10129911	Rotatable_Bond_Count	3
3062	Structure_Complexity	1450
19954	Hydrogen_Bond_Acceptor_Count	4
57441855	Defined_Bond_Stereo_Count	0
40898	Defined_Bond_Stereo_Count	0
144525	Exact_Mass	110.073164938
54759	Isotope_Atom_Count	0
7662	Mono_Isotopic_Weight	206.130679813
657201	Molecular_Weight	362.3
64769	Defined_Bond_Stereo_Count	0
7075	Defined_Atom_Stereo_Count	0
53897	Isotope_Atom_Count	0
13404	Non-hydrogen_Atom_Count	10
13380150	Undefined_Bond_Stereo_Count	0
3257	Hydrogen_Bond_Acceptor_Count	13
164767	Undefined_Atom_Stereo_Count	0
3082301	Mono_Isotopic_Weight	550.18977037
26731	Covalent_Unit_Count	1
129669846	Structure_Complexity	1330
20593561	Covalent_Unit_Count	1
53796209	Hydrogen_Bond_Acceptor_Count	2
10244374	Isotope_Atom_Count	0
5497105	Exact_Mass	447.17015238
5479529	Structure_Complexity	798
6436633	Hydrogen_Bond_Donor_Count	0
16837	Isotope_Atom_Count	0
337310	Undefined_Bond_Stereo_Count	0
489349	Isotope_Atom_Count	0
95005	Structure_Complexity	222
78383862	Isotope_Atom_Count	0
5353453	Undefined_Atom_Stereo_Count	0
69017	Covalent_Unit_Count	1
123133975	Defined_Atom_Stereo_Count	11
78933	Tautomer_Count	1
86999	Defined_Bond_Stereo_Count	0
200742	Hydrogen_Bond_Donor_Count	0
9887712	Covalent_Unit_Count	1
61571	Hydrogen_Bond_Donor_Count	0
98650	Structure_Complexity	146
795875	Non-hydrogen_Atom_Count	20
77676	TPSA	51.8
13306877	Structure_Complexity	82.6
21922314	Defined_Atom_Stereo_Count	0
14786268	Mono_Isotopic_Weight	114.068079557
9864154	Non-hydrogen_Atom_Count	27
566597	Rotatable_Bond_Count	0
51003661	Total_Formal_Charge	0
628904	Hydrogen_Bond_Donor_Count	1
7864	Structure_Complexity	10
66662059	Molecular_Weight	467.5
79096	Hydrogen_Bond_Acceptor_Count	1
41368	Defined_Bond_Stereo_Count	0
317	Defined_Atom_Stereo_Count	0
25015692	Non-hydrogen_Atom_Count	37
6539	Exact_Mass	250.16978172
14273	Exact_Mass	107.037113783
3035451	TPSA	124
5971	Structure_Complexity	81.5
3081459	Hydrogen_Bond_Donor_Count	0
413546	Covalent_Unit_Count	1
49787489	Exact_Mass	220.13757671
12405	Undefined_Bond_Stereo_Count	0
68216	Non-hydrogen_Atom_Count	16
105426944	Exact_Mass	101.084063974
55288363	Hydrogen_Bond_Donor_Count	1
102504	Hydrogen_Bond_Donor_Count	2
18087	Non-hydrogen_Atom_Count	11
84759	Mono_Isotopic_Weight	145.063997236
657014	Non-hydrogen_Atom_Count	11
45344	Structure_Complexity	263
71675	Rotatable_Bond_Count	5
10942665	Exact_Mass	154.062994177
140568	Covalent_Unit_Count	1
63991	Isotope_Atom_Count	0
10772953	Non-hydrogen_Atom_Count	8
82717	Non-hydrogen_Atom_Count	22
153577917	TPSA	9.2
96498	Covalent_Unit_Count	1
529273	Total_Formal_Charge	0
143946	Hydrogen_Bond_Donor_Count	0
6366726	Mono_Isotopic_Weight	368.18100131
85475	Defined_Bond_Stereo_Count	0
447048	Hydrogen_Bond_Acceptor_Count	18
73078	Defined_Bond_Stereo_Count	0
10969	Undefined_Atom_Stereo_Count	1
68890	Rotatable_Bond_Count	5
20558	Covalent_Unit_Count	1
82461	Undefined_Bond_Stereo_Count	0
130990	Structure_Complexity	1150
4612	Hydrogen_Bond_Acceptor_Count	5
573592	Mono_Isotopic_Weight	110.048012819
13662384	Hydrogen_Bond_Donor_Count	1
829002	TPSA	35.6
51387014	Rotatable_Bond_Count	7
74229	Structure_Complexity	192
4646	XLogP3	1.6
15983552	Structure_Complexity	650
75064	Mono_Isotopic_Weight	154.02660867
51039095	Total_Formal_Charge	0
129651417	Exact_Mass	163.0188769
86209	TPSA	17.1
24763202	Hydrogen_Bond_Acceptor_Count	4
88290	Molecular_Weight	132.23
101605498	XLogP3	1
25008940	Non-hydrogen_Atom_Count	36
22135	Isotope_Atom_Count	0
19987011	Structure_Complexity	125
4692287	XLogP3	3.9
107805	Undefined_Atom_Stereo_Count	0
336423	Exact_Mass	386.21066147
445344	Hydrogen_Bond_Acceptor_Count	22
41170	Undefined_Bond_Stereo_Count	0
669688	Total_Formal_Charge	0
51340308	Defined_Atom_Stereo_Count	0
11643997	Structure_Complexity	137
61828	Undefined_Atom_Stereo_Count	0
12943941	Hydrogen_Bond_Acceptor_Count	2
22154890	Hydrogen_Bond_Acceptor_Count	0
4529	Exact_Mass	750.45542754
330740	Hydrogen_Bond_Donor_Count	4
6010	Hydrogen_Bond_Acceptor_Count	2
44578536	Exact_Mass	318.15929460
68392349	Structure_Complexity	125
58247618	Covalent_Unit_Count	1
616642	Defined_Atom_Stereo_Count	0
135410907	Rotatable_Bond_Count	2
6454351	Covalent_Unit_Count	1
2737701	Mono_Isotopic_Weight	112.04367633
229	Non-hydrogen_Atom_Count	10
10545864	Defined_Bond_Stereo_Count	0
11586912	Rotatable_Bond_Count	4
24529	Defined_Bond_Stereo_Count	0
10177255	Hydrogen_Bond_Donor_Count	2
86254	Hydrogen_Bond_Acceptor_Count	1
8193	Hydrogen_Bond_Acceptor_Count	1
70696850	Rotatable_Bond_Count	6
42553	Covalent_Unit_Count	1
3433	Molecular_Weight	260.25
147364829	Undefined_Bond_Stereo_Count	0
9120	Defined_Atom_Stereo_Count	0
10273	Isotope_Atom_Count	0
6432238	Covalent_Unit_Count	1
129628761	Rotatable_Bond_Count	4
69990	Covalent_Unit_Count	1
12642	Total_Formal_Charge	0
25435	Defined_Atom_Stereo_Count	0
23274061	Total_Formal_Charge	0
30489	TPSA	3.2
69065	Hydrogen_Bond_Donor_Count	2
76054	Hydrogen_Bond_Donor_Count	1
14539800	Structure_Complexity	659
24526	Molecular_Weight	70.90
6931101	Mono_Isotopic_Weight	180.02968267
119086017	Non-hydrogen_Atom_Count	8
13643838	Defined_Bond_Stereo_Count	0
67621	XLogP3-AA	2.8
26117	Undefined_Atom_Stereo_Count	0
21827	XLogP3-AA	1
66742	Isotope_Atom_Count	0
9839190	Isotope_Atom_Count	0
69286	Undefined_Atom_Stereo_Count	0
70677	Total_Formal_Charge	0
6479653	Defined_Bond_Stereo_Count	7
16224058	Undefined_Atom_Stereo_Count	0
4630	Undefined_Bond_Stereo_Count	0
6451151	Non-hydrogen_Atom_Count	20
20011	Mono_Isotopic_Weight	250.0752019
44565798	TPSA	100
642623	TPSA	46.5
11539725	Covalent_Unit_Count	1
104954	TPSA	63
5477635	Tautomer_Count	3
5280373	Undefined_Atom_Stereo_Count	0
838844	Mono_Isotopic_Weight	237.97418
53248849	Total_Formal_Charge	0
8432	Structure_Complexity	160
3083444	Hydrogen_Bond_Acceptor_Count	49
71449805	Molecular_Weight	305.4
84682	Defined_Bond_Stereo_Count	0
10018576	Mono_Isotopic_Weight	315.13313942
3791	XLogP3	2.1
544792	Exact_Mass	85.089149355
10129	Covalent_Unit_Count	1
91384976	Isotope_Atom_Count	0
57258462	Structure_Complexity	86
20644743	Structure_Complexity	318
11029889	Covalent_Unit_Count	1
102175	Hydrogen_Bond_Donor_Count	4
440735	Undefined_Atom_Stereo_Count	0
7284	Exact_Mass	86.073164938
8809	Total_Formal_Charge	0
19667	Exact_Mass	256.170139325
30337	Exact_Mass	230.11542367
11492406	Non-hydrogen_Atom_Count	16
75834	Structure_Complexity	228
169235	Non-hydrogen_Atom_Count	17
64685	XLogP3	2.7
70383887	Rotatable_Bond_Count	0
201734	Rotatable_Bond_Count	1
549701	Rotatable_Bond_Count	0
3050410	Exact_Mass	305.1870048
57927	Non-hydrogen_Atom_Count	22
628202	Structure_Complexity	688
9842127	XLogP3-AA	4.7
404566	Rotatable_Bond_Count	5
53810451	Structure_Complexity	80.1
135921134	Structure_Complexity	1620
11520759	Hydrogen_Bond_Acceptor_Count	12
31398	Rotatable_Bond_Count	0
4178	Covalent_Unit_Count	1
6619	Non-hydrogen_Atom_Count	21
2728077	Undefined_Atom_Stereo_Count	0
51941	Exact_Mass	117.102788042
231040	Non-hydrogen_Atom_Count	14
25067411	Isotope_Atom_Count	1
10898648	Rotatable_Bond_Count	0
12224251	Molecular_Weight	112.13
6321412	Undefined_Bond_Stereo_Count	0
83648	Rotatable_Bond_Count	4
4674	Covalent_Unit_Count	1
3663247	Defined_Bond_Stereo_Count	0
8114	Defined_Atom_Stereo_Count	0
146158974	Exact_Mass	402.1710204
26191	TPSA	49.7
65708	Exact_Mass	190.074227566
4617	Rotatable_Bond_Count	1
13649426	Rotatable_Bond_Count	2
16218739	Molecular_Weight	388.5
314	Molecular_Weight	323.20
94740	XLogP3-AA	2.2
4745	XLogP3-AA	4.2
937	Molecular_Weight	122.10
520148	Exact_Mass	206.130679813
14723648	Defined_Bond_Stereo_Count	0
83003418	Hydrogen_Bond_Donor_Count	1
19100334	Defined_Atom_Stereo_Count	0
53627428	Undefined_Atom_Stereo_Count	0
145130580	Exact_Mass	96.057514874
42599603	Non-hydrogen_Atom_Count	29
89602862	Molecular_Weight	113.07
21584147	Mono_Isotopic_Weight	100.063662883
5232423	XLogP3	4.7
5143	Molecular_Weight	183.19
56842108	Covalent_Unit_Count	2
1717915	Defined_Bond_Stereo_Count	0
18819	Tautomer_Count	1
659840	Isotope_Atom_Count	0
102182857	Mono_Isotopic_Weight	358.1926522
136120826	Non-hydrogen_Atom_Count	7
24208	Hydrogen_Bond_Acceptor_Count	3
137151	Hydrogen_Bond_Acceptor_Count	1
20674	Hydrogen_Bond_Acceptor_Count	4
10197842	Non-hydrogen_Atom_Count	10
10473088	Defined_Atom_Stereo_Count	3
59082714	Undefined_Bond_Stereo_Count	0
71624343	Undefined_Bond_Stereo_Count	0
9020	Covalent_Unit_Count	3
53119	Isotope_Atom_Count	0
57040555	Structure_Complexity	96.4
65127	Defined_Bond_Stereo_Count	0
878	Covalent_Unit_Count	1
15700781	Isotope_Atom_Count	0
16218641	Defined_Atom_Stereo_Count	0
54758035	Covalent_Unit_Count	1
134338399	Molecular_Weight	108.10
5284391	Non-hydrogen_Atom_Count	27
123348667	Non-hydrogen_Atom_Count	8
17833	Defined_Atom_Stereo_Count	0
46206643	Rotatable_Bond_Count	3
67683363	Isotope_Atom_Count	0
68186	Undefined_Bond_Stereo_Count	0
31405	TPSA	20.2
14523483	Undefined_Atom_Stereo_Count	0
22288608	Exact_Mass	106.053098200
3433	Isotope_Atom_Count	0
63011	Mono_Isotopic_Weight	382.0931640
58488970	Defined_Atom_Stereo_Count	0
44183	XLogP3-AA	3.4
10563	Isotope_Atom_Count	0
71455277	Non-hydrogen_Atom_Count	35
81472	Rotatable_Bond_Count	3
11632418	Isotope_Atom_Count	0
633526	Mono_Isotopic_Weight	562.35758248
95162416	Molecular_Weight	342.30
3794	Rotatable_Bond_Count	4
134692450	TPSA	162
62775	Hydrogen_Bond_Donor_Count	0
68216	Total_Formal_Charge	0
23458177	TPSA	53.2
55105	Molecular_Weight	306.0
24866733	Total_Formal_Charge	0
6255	Defined_Atom_Stereo_Count	10
30097	Molecular_Weight	562.6
68499424	Non-hydrogen_Atom_Count	7
10436952	Undefined_Atom_Stereo_Count	1
5248048	Covalent_Unit_Count	1
68783	Covalent_Unit_Count	1
12434511	Hydrogen_Bond_Acceptor_Count	2
54585738	Hydrogen_Bond_Acceptor_Count	4
10833	TPSA	83.6
23368901	Rotatable_Bond_Count	0
179	Rotatable_Bond_Count	1
10449	Mono_Isotopic_Weight	89.027691913
869	Non-hydrogen_Atom_Count	54
25608	Non-hydrogen_Atom_Count	12
20188118	Hydrogen_Bond_Acceptor_Count	2
5249	Total_Formal_Charge	0
13129596	Covalent_Unit_Count	1
107952	Rotatable_Bond_Count	11
20149888	Undefined_Atom_Stereo_Count	0
14906717	Mono_Isotopic_Weight	116.083729621
447277	XLogP3-AA	4.4
9571009	Isotope_Atom_Count	0
72023	Rotatable_Bond_Count	6
130143669	Non-hydrogen_Atom_Count	8
38464	Covalent_Unit_Count	1
161218	TPSA	131
153675783	Hydrogen_Bond_Acceptor_Count	1
76451	Isotope_Atom_Count	0
13166771	TPSA	9.2
130153178	Structure_Complexity	126
8679	Mono_Isotopic_Weight	219.104799419
57053600	Mono_Isotopic_Weight	87.032028402
22260381	Hydrogen_Bond_Donor_Count	1
3328	Rotatable_Bond_Count	10
7832	Isotope_Atom_Count	0
87646	Rotatable_Bond_Count	1
1127	Non-hydrogen_Atom_Count	5
704528	Mono_Isotopic_Weight	280.08816355
6100711	Mono_Isotopic_Weight	287.886175
197942	Molecular_Weight	206.63
71332025	Undefined_Bond_Stereo_Count	1
9818903	Undefined_Bond_Stereo_Count	0
90127741	Defined_Atom_Stereo_Count	0
21349800	Mono_Isotopic_Weight	111.032028402
71457955	Covalent_Unit_Count	1
5095	Exact_Mass	260.188863393
641248	Molecular_Weight	100.16
23657865	Total_Formal_Charge	0
24415	Undefined_Atom_Stereo_Count	0
2827646	Undefined_Bond_Stereo_Count	0
88707373	Total_Formal_Charge	0
11263492	XLogP3-AA	2.2
10290734	TPSA	26
121586	Molecular_Weight	290.11
9037	Defined_Bond_Stereo_Count	0
24871267	Undefined_Atom_Stereo_Count	0
6252910	Total_Formal_Charge	0
88154	Mono_Isotopic_Weight	252.17254462
135403804	Rotatable_Bond_Count	2
23777801	Tautomer_Count	1
65923	Structure_Complexity	765
66615627	Hydrogen_Bond_Acceptor_Count	6
448653	Defined_Bond_Stereo_Count	2
73355083	Mono_Isotopic_Weight	408.1153171
10357919	Hydrogen_Bond_Acceptor_Count	6
3442	Rotatable_Bond_Count	4
123404946	TPSA	23.8
9962735	Total_Formal_Charge	0
72929	Undefined_Atom_Stereo_Count	0
11412527	Hydrogen_Bond_Donor_Count	1
10197702	Defined_Atom_Stereo_Count	0
78361	Defined_Bond_Stereo_Count	0
53316380	Structure_Complexity	380
114743	Undefined_Atom_Stereo_Count	0
61235	Covalent_Unit_Count	1
10442251	Non-hydrogen_Atom_Count	13
129796414	Hydrogen_Bond_Donor_Count	0
9060	Isotope_Atom_Count	0
50501	Defined_Bond_Stereo_Count	0
6674	XLogP3-AA	2.6
25315	Undefined_Bond_Stereo_Count	0
135458645	Molecular_Weight	847.0
59910362	Defined_Atom_Stereo_Count	0
11672764	Total_Formal_Charge	0
12270637	Total_Formal_Charge	0
11850983	Molecular_Weight	291.5
23663959	Isotope_Atom_Count	0
179344	Defined_Bond_Stereo_Count	0
142796	Covalent_Unit_Count	1
43704	Non-hydrogen_Atom_Count	21
2285	Undefined_Atom_Stereo_Count	0
44531955	Non-hydrogen_Atom_Count	42
4896	Defined_Atom_Stereo_Count	0
11566378	Structure_Complexity	493
135027	Hydrogen_Bond_Acceptor_Count	2
54581904	Undefined_Bond_Stereo_Count	0
11062308	Undefined_Atom_Stereo_Count	0
59856471	Hydrogen_Bond_Acceptor_Count	9
786892	TPSA	67.8
7853	Exact_Mass	57.057849228
73353578	Total_Formal_Charge	0
54315893	Isotope_Atom_Count	0
54120934	Molecular_Weight	99.09
44462786	Undefined_Atom_Stereo_Count	0
4816	Tautomer_Count	1
1550823	Undefined_Atom_Stereo_Count	0
131254	Rotatable_Bond_Count	11
74517	Defined_Atom_Stereo_Count	0
10337265	Covalent_Unit_Count	1
37612	Rotatable_Bond_Count	3
13589	Total_Formal_Charge	0
25271818	Non-hydrogen_Atom_Count	25
91526	Non-hydrogen_Atom_Count	10
11869222	Molecular_Weight	401.5
123298786	Isotope_Atom_Count	0
23677058	Mono_Isotopic_Weight	276.09084324
139073990	Molecular_Weight	284.35
11804701	Undefined_Atom_Stereo_Count	0
3038477	Exact_Mass	378.12494298
88941292	Exact_Mass	112.063662883
23701721	Undefined_Atom_Stereo_Count	0
22728753	Covalent_Unit_Count	1
14235	Undefined_Bond_Stereo_Count	0
22061693	Non-hydrogen_Atom_Count	8
53747824	Undefined_Bond_Stereo_Count	0
53323740	Defined_Atom_Stereo_Count	0
57223656	Defined_Bond_Stereo_Count	0
30049	Isotope_Atom_Count	0
60702533	Covalent_Unit_Count	1
5365543	Tautomer_Count	1
83814961	Non-hydrogen_Atom_Count	8
7337	Molecular_Weight	168.15
17904805	Defined_Bond_Stereo_Count	0
57425261	TPSA	50.2
661093	Total_Formal_Charge	0
61631	Mono_Isotopic_Weight	170.130679813
21809017	Covalent_Unit_Count	1
135459971	Hydrogen_Bond_Donor_Count	4
1219914	XLogP3-AA	3.5
764764	Hydrogen_Bond_Donor_Count	3
62328	TPSA	26.3
152997633	Undefined_Atom_Stereo_Count	0
4503	Hydrogen_Bond_Acceptor_Count	17
5480	Hydrogen_Bond_Donor_Count	1
443040	TPSA	37.4
21778241	Undefined_Bond_Stereo_Count	0
24479	Defined_Bond_Stereo_Count	0
56857	Undefined_Atom_Stereo_Count	0
135409471	Exact_Mass	313.0708448
11582651	Undefined_Atom_Stereo_Count	0
21962683	TPSA	0
44571022	Defined_Atom_Stereo_Count	0
165571	Hydrogen_Bond_Donor_Count	0
4848	Undefined_Atom_Stereo_Count	0
14474501	Structure_Complexity	109
52948843	Structure_Complexity	429
447966	Tautomer_Count	5
287983	Undefined_Bond_Stereo_Count	0
66425	Total_Formal_Charge	0
54427	Mono_Isotopic_Weight	263.105862047
25000	Exact_Mass	182.908829
41969	Total_Formal_Charge	0
51030901	Rotatable_Bond_Count	5
5281034	Undefined_Bond_Stereo_Count	0
23199904	Total_Formal_Charge	0
45791180	Non-hydrogen_Atom_Count	7
53667465	Hydrogen_Bond_Donor_Count	0
79497	Defined_Bond_Stereo_Count	0
5281670	Rotatable_Bond_Count	1
5311068	Exact_Mass	200.131348519
130128864	Hydrogen_Bond_Acceptor_Count	2
11237985	Mono_Isotopic_Weight	536.2765481
7059596	Undefined_Atom_Stereo_Count	0
45923684	Rotatable_Bond_Count	0
9568069	Undefined_Bond_Stereo_Count	0
52165	Total_Formal_Charge	0
518964	Covalent_Unit_Count	1
61124	Defined_Bond_Stereo_Count	0
60196331	Undefined_Atom_Stereo_Count	0
91575456	Non-hydrogen_Atom_Count	7
36149	Covalent_Unit_Count	1
5476374	Structure_Complexity	34.5
5359272	Total_Formal_Charge	0
108888	Exact_Mass	362.20932405
136231689	Hydrogen_Bond_Acceptor_Count	4
129630227	Mono_Isotopic_Weight	7340.9926854
71007	Mono_Isotopic_Weight	199.136099547
138059757	Non-hydrogen_Atom_Count	31
2037	Undefined_Bond_Stereo_Count	0
139593369	Non-hydrogen_Atom_Count	50
9885692	Total_Formal_Charge	0
70729	Molecular_Weight	118.10
1548887	Isotope_Atom_Count	0
95659	Covalent_Unit_Count	1
591873	Isotope_Atom_Count	0
48807	Hydrogen_Bond_Acceptor_Count	3
8361	TPSA	46.5
56965681	Non-hydrogen_Atom_Count	7
596244	Defined_Atom_Stereo_Count	0
3019670	Rotatable_Bond_Count	2
6420040	Structure_Complexity	308
3941	Defined_Atom_Stereo_Count	0
79081	Molecular_Weight	99.17
657141	Undefined_Atom_Stereo_Count	0
20145490	Exact_Mass	110.073164938
11194317	Rotatable_Bond_Count	3
90657760	Molecular_Weight	341.4
129738943	Structure_Complexity	129
10235	Total_Formal_Charge	0
10028830	Hydrogen_Bond_Donor_Count	4
3972	TPSA	54.7
3169	Exact_Mass	236.152477885
68022407	Mono_Isotopic_Weight	112.063662883
53380818	Undefined_Atom_Stereo_Count	0
75530159	Structure_Complexity	173
5773	Hydrogen_Bond_Acceptor_Count	6
6904	Defined_Bond_Stereo_Count	0
13379149	Defined_Bond_Stereo_Count	0
114994	Defined_Atom_Stereo_Count	0
56463	Undefined_Atom_Stereo_Count	0
160269	Undefined_Atom_Stereo_Count	0
129661122	Hydrogen_Bond_Donor_Count	3
16836	Rotatable_Bond_Count	4
546946	Tautomer_Count	2
79856	Covalent_Unit_Count	1
9815299	Structure_Complexity	154
9961766	Hydrogen_Bond_Acceptor_Count	9
1811	TPSA	138
12266	Exact_Mass	96.057514874
11329359	Hydrogen_Bond_Acceptor_Count	9
87985	Rotatable_Bond_Count	3
159190124	Rotatable_Bond_Count	15
17259	Exact_Mass	156.115029749
22481615	Isotope_Atom_Count	0
23706212	Defined_Bond_Stereo_Count	0
9837916	Defined_Atom_Stereo_Count	1
448925	Hydrogen_Bond_Donor_Count	8
71961	Hydrogen_Bond_Donor_Count	6
59516092	Hydrogen_Bond_Donor_Count	2
60196313	Undefined_Bond_Stereo_Count	0
7285	Isotope_Atom_Count	0
65834	TPSA	20.3
37037	Molecular_Weight	395.3
159871	Undefined_Atom_Stereo_Count	1
12193680	Non-hydrogen_Atom_Count	34
83648	Hydrogen_Bond_Acceptor_Count	4
34192	Defined_Atom_Stereo_Count	0
162918373	TPSA	279
58792515	Structure_Complexity	139
5494425	Total_Formal_Charge	0
18924037	Undefined_Bond_Stereo_Count	0
8136	Hydrogen_Bond_Donor_Count	0
44431182	TPSA	137
12867358	Covalent_Unit_Count	1
68321924	Non-hydrogen_Atom_Count	26
25293	Defined_Atom_Stereo_Count	0
5702609	Non-hydrogen_Atom_Count	19
11412346	Exact_Mass	97.089149355
24867465	Hydrogen_Bond_Donor_Count	3
76958691	Mono_Isotopic_Weight	276.11100700
814152	TPSA	88.6
227260	XLogP3-AA	2.2
3081078	Covalent_Unit_Count	1
73672	Covalent_Unit_Count	1
163727	Molecular_Weight	236.10
155042170	Covalent_Unit_Count	1
22812625	Hydrogen_Bond_Donor_Count	4
24949247	Mono_Isotopic_Weight	384.06981
88524529	Isotope_Atom_Count	0
117265443	Non-hydrogen_Atom_Count	8
71713950	Structure_Complexity	543
12082259	XLogP3-AA	4.3
2782524	Undefined_Atom_Stereo_Count	0
69507	Exact_Mass	260.02971899
29927670	Isotope_Atom_Count	0
97065	Molecular_Weight	226.4
46173365	XLogP3	0.3
11597697	Mono_Isotopic_Weight	455.17599275
16217526	Defined_Atom_Stereo_Count	12
129696925	Total_Formal_Charge	0
135950975	Covalent_Unit_Count	1
2673	Isotope_Atom_Count	0
860	Exact_Mass	278.224580195
91053206	Mono_Isotopic_Weight	1201.84136802
12701401	Exact_Mass	112.088815002
40468	Isotope_Atom_Count	0
14022509	Total_Formal_Charge	0
165437289	Defined_Bond_Stereo_Count	2
14880677	Undefined_Atom_Stereo_Count	0
59939847	Undefined_Bond_Stereo_Count	0
12205098	Undefined_Atom_Stereo_Count	0
71719268	Hydrogen_Bond_Donor_Count	2
69140538	TPSA	47.6
19920	XLogP3-AA	0.6
5795731	Rotatable_Bond_Count	2
92155	Total_Formal_Charge	0
734999	Defined_Bond_Stereo_Count	0
8506	Structure_Complexity	652
141445129	Total_Formal_Charge	0
136362	Mono_Isotopic_Weight	88.100048391
75606	Molecular_Weight	103.08
171284	Exact_Mass	582.20608914
579338	Non-hydrogen_Atom_Count	9
17882722	Molecular_Weight	114.10
28281	Defined_Bond_Stereo_Count	0
16217535	Defined_Bond_Stereo_Count	0
107502	Undefined_Bond_Stereo_Count	0
5256168	Exact_Mass	111.96527171
56670170	Hydrogen_Bond_Acceptor_Count	7
37034	XLogP3	7.2
177955	Non-hydrogen_Atom_Count	16
95496	Exact_Mass	195.02014356
11546947	Molecular_Weight	453.0
114839	Undefined_Atom_Stereo_Count	0
129629634	Rotatable_Bond_Count	0
139405	XLogP3-AA	0.8
72187524	Covalent_Unit_Count	3
25184868	Exact_Mass	154.135765193
67214459	Defined_Atom_Stereo_Count	0
9863	Isotope_Atom_Count	0
6999115	Undefined_Atom_Stereo_Count	0
12183049	Exact_Mass	108.093900383
102390049	Non-hydrogen_Atom_Count	25
58024825	Covalent_Unit_Count	1
9395	Defined_Atom_Stereo_Count	0
656981	Covalent_Unit_Count	2
2896	Rotatable_Bond_Count	2
86013	Mono_Isotopic_Weight	219.162314293
14852477	Mono_Isotopic_Weight	100.100048391
10132189	Defined_Bond_Stereo_Count	0
16293	Non-hydrogen_Atom_Count	14
4409	TPSA	26.3
13528	Exact_Mass	104.0028925
11251988	Isotope_Atom_Count	0
17520	Isotope_Atom_Count	0
49296	Undefined_Bond_Stereo_Count	0
13789889	Mono_Isotopic_Weight	97.052763847
3314	XLogP3	2
12754038	Isotope_Atom_Count	0
90551	Defined_Bond_Stereo_Count	0
1046	Mono_Isotopic_Weight	123.043261792
107949	Isotope_Atom_Count	0
56680336	Isotope_Atom_Count	0
123839315	Covalent_Unit_Count	1
21696748	Hydrogen_Bond_Donor_Count	1
12255141	Rotatable_Bond_Count	0
10288191	TPSA	88.4
181134	Total_Formal_Charge	0
10848	Undefined_Bond_Stereo_Count	0
91972121	Molecular_Weight	1345.4
26470418	Exact_Mass	342.11621151
10360656	Hydrogen_Bond_Donor_Count	1
74680	Hydrogen_Bond_Acceptor_Count	2
20041	Defined_Atom_Stereo_Count	0
82418997	Hydrogen_Bond_Donor_Count	0
72760	Mono_Isotopic_Weight	254.10150494
13848132	Undefined_Atom_Stereo_Count	1
7289	Isotope_Atom_Count	0
23422064	TPSA	60.8
1179	Exact_Mass	836.27523133
5493321	Exact_Mass	408.12969158
53694406	Undefined_Bond_Stereo_Count	0
7567598	Undefined_Bond_Stereo_Count	0
69340938	Defined_Atom_Stereo_Count	0
25091037	Rotatable_Bond_Count	37
57505377	Rotatable_Bond_Count	2
122608345	Total_Formal_Charge	0
10309028	Defined_Atom_Stereo_Count	0
14990169	Exact_Mass	292.276615768
447945	Defined_Atom_Stereo_Count	1
60196408	Defined_Atom_Stereo_Count	1
8359	Isotope_Atom_Count	0
89127533	Molecular_Weight	115.13
45479680	Defined_Atom_Stereo_Count	0
97109339	TPSA	17.1
53924211	Molecular_Weight	112.09
24412	Hydrogen_Bond_Donor_Count	0
4392	Molecular_Weight	344.26
71434160	Undefined_Atom_Stereo_Count	5
31390	Undefined_Atom_Stereo_Count	0
119171	Undefined_Bond_Stereo_Count	0
71301229	Undefined_Bond_Stereo_Count	0
153977505	Undefined_Bond_Stereo_Count	0
184819	Defined_Bond_Stereo_Count	0
23663979	Exact_Mass	371.09157152
143034	Hydrogen_Bond_Donor_Count	0
77922	TPSA	52.3
6440180	Exact_Mass	429.06010
441975	Tautomer_Count	1
36209	Rotatable_Bond_Count	9
44644	Undefined_Bond_Stereo_Count	0
42613186	Molecular_Weight	592.7
7449	TPSA	62.9
145707274	Hydrogen_Bond_Donor_Count	1
13084	Isotope_Atom_Count	0
71484	Molecular_Weight	606.6
44249711	Mono_Isotopic_Weight	114.068079557
15657909	Defined_Atom_Stereo_Count	0
21517	Defined_Atom_Stereo_Count	0
41191	Undefined_Atom_Stereo_Count	0
5361918	Molecular_Weight	356.4
132549482	Undefined_Bond_Stereo_Count	0
103439991	Defined_Bond_Stereo_Count	0
9871	Hydrogen_Bond_Acceptor_Count	4
92444	Mono_Isotopic_Weight	335.860066
11366953	Total_Formal_Charge	0
23675341	Hydrogen_Bond_Acceptor_Count	12
10201696	Undefined_Bond_Stereo_Count	0
25202592	Mono_Isotopic_Weight	129.078978594
83096	Defined_Atom_Stereo_Count	0
10510810	Undefined_Bond_Stereo_Count	0
292661	TPSA	104
3609	Hydrogen_Bond_Donor_Count	8
16767478	TPSA	37.8
62210	Structure_Complexity	548
13040869	Rotatable_Bond_Count	1
93369	Defined_Atom_Stereo_Count	0
71302984	Non-hydrogen_Atom_Count	8
301520	XLogP3-AA	3.4
5459973	Non-hydrogen_Atom_Count	11
23039770	Mono_Isotopic_Weight	95.037113783
17318	Exact_Mass	248.10800027
70723	Exact_Mass	110.073164938
77596	Molecular_Weight	100.12
630355	Rotatable_Bond_Count	4
10855383	Undefined_Atom_Stereo_Count	0
53878449	Rotatable_Bond_Count	0
49087	Mono_Isotopic_Weight	353.2121570
129674572	Hydrogen_Bond_Donor_Count	0
66359	Non-hydrogen_Atom_Count	23
1416277	Tautomer_Count	3
15396543	Isotope_Atom_Count	0
398631	Hydrogen_Bond_Acceptor_Count	4
5702698	Molecular_Weight	391.6
57391320	Non-hydrogen_Atom_Count	32
101074209	TPSA	215
160312	Defined_Bond_Stereo_Count	0
8001	Hydrogen_Bond_Acceptor_Count	0
11069	Exact_Mass	422.15115773
29033	Undefined_Bond_Stereo_Count	0
9867061	XLogP3-AA	3.3
175512	Rotatable_Bond_Count	8
12105	Exact_Mass	120.057514874
63786	Tautomer_Count	5
5287620	Total_Formal_Charge	0
129544	Covalent_Unit_Count	1
683214	XLogP3-AA	2.1
14968895	Rotatable_Bond_Count	3
24955007	Isotope_Atom_Count	0
5459220	Defined_Bond_Stereo_Count	2
860695	Structure_Complexity	447
141772581	Hydrogen_Bond_Acceptor_Count	1
71343993	Mono_Isotopic_Weight	103.063328530
87609775	Hydrogen_Bond_Donor_Count	3
21138	Covalent_Unit_Count	1
5281025	Molecular_Weight	883.1
95125	Mono_Isotopic_Weight	284.11609238
53487990	Undefined_Bond_Stereo_Count	0
67763	Isotope_Atom_Count	0
5354	Undefined_Bond_Stereo_Count	0
56759	Isotope_Atom_Count	0
954673	Structure_Complexity	360
392622	Molecular_Weight	720.9
4179	Isotope_Atom_Count	0
160940	Molecular_Weight	298.72
1479277	Undefined_Bond_Stereo_Count	0
16132446	Defined_Atom_Stereo_Count	41
21723655	TPSA	20.2
28107	Mono_Isotopic_Weight	827.46672049
54111851	Total_Formal_Charge	0
16775060	Non-hydrogen_Atom_Count	7
44190553	Rotatable_Bond_Count	2
402875	Isotope_Atom_Count	0
398652	Hydrogen_Bond_Donor_Count	0
9833984	Defined_Atom_Stereo_Count	1
18119	Exact_Mass	389.283098129
76958691	Undefined_Bond_Stereo_Count	0
12560918	Structure_Complexity	68.5
91747288	Hydrogen_Bond_Acceptor_Count	2
11409972	Rotatable_Bond_Count	8
20024	Rotatable_Bond_Count	1
1864	Exact_Mass	248.11609238
61633	TPSA	34.1
91410	Undefined_Bond_Stereo_Count	0
5826113	Exact_Mass	370.21574685
5282439	Total_Formal_Charge	0
16020938	Hydrogen_Bond_Donor_Count	1
640753	Rotatable_Bond_Count	2
158150	Tautomer_Count	1
14200531	Mono_Isotopic_Weight	145.98600716
22166430	Mono_Isotopic_Weight	101.084063974
71451390	Molecular_Weight	475.0
812477	Hydrogen_Bond_Donor_Count	0
53436961	Defined_Atom_Stereo_Count	0
314184	Molecular_Weight	101.10
41287	Undefined_Atom_Stereo_Count	0
129864962	Mono_Isotopic_Weight	322.11398438
64862	Defined_Bond_Stereo_Count	0
156616838	Mono_Isotopic_Weight	342.11621151
89999	Hydrogen_Bond_Donor_Count	5
5713	XLogP3-AA	5.2
34982	Hydrogen_Bond_Donor_Count	1
484651	Non-hydrogen_Atom_Count	80
3437	Undefined_Atom_Stereo_Count	0
44208849	XLogP3-AA	3
11532248	Covalent_Unit_Count	1
79964	Non-hydrogen_Atom_Count	9
63958	Isotope_Atom_Count	0
5281055	Mono_Isotopic_Weight	473.12567125
91942	Hydrogen_Bond_Donor_Count	2
10341191	Total_Formal_Charge	0
636367	Exact_Mass	193.05863707
36900	Hydrogen_Bond_Acceptor_Count	3
12362	Hydrogen_Bond_Acceptor_Count	3
18317	Undefined_Atom_Stereo_Count	1
81391	Undefined_Bond_Stereo_Count	0
529197	Total_Formal_Charge	0
28424	Rotatable_Bond_Count	4
35898	Structure_Complexity	312
25117126	Mono_Isotopic_Weight	510.14094222
44310707	Hydrogen_Bond_Donor_Count	1
60196334	Undefined_Bond_Stereo_Count	0
135415867	Hydrogen_Bond_Donor_Count	2
41088	Undefined_Bond_Stereo_Count	0
16735405	Rotatable_Bond_Count	12
11790	Undefined_Atom_Stereo_Count	0
91250151	Non-hydrogen_Atom_Count	10
66708	TPSA	26.3
13925600	TPSA	20.2
121749	Tautomer_Count	5
8881	Exact_Mass	111.9846556
68392349	Exact_Mass	109.089149355
66169	Undefined_Atom_Stereo_Count	0
28561	Covalent_Unit_Count	1
8534	Defined_Bond_Stereo_Count	0
25007799	Exact_Mass	411.16166284
13792437	Undefined_Bond_Stereo_Count	0
9574101	Structure_Complexity	731
289460	Exact_Mass	228.09324893
440211	Hydrogen_Bond_Acceptor_Count	12
41466	Exact_Mass	130.074227566
1074	TPSA	137
123609380	Defined_Atom_Stereo_Count	0
69262871	Defined_Atom_Stereo_Count	0
13400657	Undefined_Atom_Stereo_Count	1
3606	Total_Formal_Charge	0
524655	Mono_Isotopic_Weight	98.109550447
11287722	XLogP3-AA	2.7
1268252	Molecular_Weight	184.2
90181814	Total_Formal_Charge	0
4624	Molecular_Weight	169.18
18505590	Hydrogen_Bond_Acceptor_Count	3
58323974	XLogP3-AA	3.1
512984	Exact_Mass	248.00780523
439285	Defined_Bond_Stereo_Count	0
16760285	Defined_Bond_Stereo_Count	0
22965786	Mono_Isotopic_Weight	98.073164938
3956708	Mono_Isotopic_Weight	213.03338833
11094545	Undefined_Bond_Stereo_Count	0
48882	Defined_Atom_Stereo_Count	0
126969108	Exact_Mass	868.56604061
919205	Tautomer_Count	2
10486501	Rotatable_Bond_Count	15
2733257	Molecular_Weight	139.58
85760873	TPSA	0
84647614	Isotope_Atom_Count	0
18	Undefined_Bond_Stereo_Count	0
93104	XLogP3-AA	3.8
154214	Hydrogen_Bond_Acceptor_Count	4
11656518	Covalent_Unit_Count	1
74732	Hydrogen_Bond_Acceptor_Count	3
12136363	Covalent_Unit_Count	1
61541	Non-hydrogen_Atom_Count	3
135398727	Structure_Complexity	598
3317081	Undefined_Bond_Stereo_Count	0
191468	Undefined_Bond_Stereo_Count	0
11193842	Rotatable_Bond_Count	4
1031	Molecular_Weight	60.10
71584541	Mono_Isotopic_Weight	399.16952493
18032	Hydrogen_Bond_Acceptor_Count	6
61101	Mono_Isotopic_Weight	208.06953611
123190012	Hydrogen_Bond_Donor_Count	0
12245594	Total_Formal_Charge	0
20823386	Covalent_Unit_Count	1
9160	Exact_Mass	267.104799419
10176216	Non-hydrogen_Atom_Count	4
164685	Exact_Mass	493.98641756
556487	Defined_Bond_Stereo_Count	0
528603	Hydrogen_Bond_Donor_Count	1
71680844	Rotatable_Bond_Count	4
3230	Mono_Isotopic_Weight	470.33960994
53403752	Isotope_Atom_Count	0
441035	Undefined_Bond_Stereo_Count	0
135408763	Defined_Bond_Stereo_Count	0
87609775	Defined_Atom_Stereo_Count	2
14325610	Isotope_Atom_Count	0
158698	Defined_Bond_Stereo_Count	0
81531	Rotatable_Bond_Count	3
14416018	Rotatable_Bond_Count	0
395106	Non-hydrogen_Atom_Count	25
261555	Total_Formal_Charge	0
102402986	Hydrogen_Bond_Donor_Count	0
158800	Exact_Mass	785.45615581
9865421	Total_Formal_Charge	0
197081	Tautomer_Count	171
75082	Defined_Bond_Stereo_Count	0
9877750	Covalent_Unit_Count	1
87119	Undefined_Bond_Stereo_Count	0
21706	Isotope_Atom_Count	0
54338696	Mono_Isotopic_Weight	90.0469501914
132500979	Hydrogen_Bond_Acceptor_Count	3
7154	Rotatable_Bond_Count	3
6437648	XLogP3-AA	4.9
85728	Exact_Mass	162.068079557
139073990	Exact_Mass	284.16237386
123934238	Molecular_Weight	114.14
54319	TPSA	83.1
46910592	Undefined_Atom_Stereo_Count	0
60155458	Isotope_Atom_Count	0
5273569	Undefined_Atom_Stereo_Count	0
12136363	Molecular_Weight	115.13
2733797	Isotope_Atom_Count	0
61136	Hydrogen_Bond_Donor_Count	2
22385449	Non-hydrogen_Atom_Count	7
80278	Molecular_Weight	248.25
923480	Non-hydrogen_Atom_Count	20
170366	Hydrogen_Bond_Donor_Count	0
22834549	Hydrogen_Bond_Donor_Count	49
5280637	Total_Formal_Charge	0
231931	Defined_Atom_Stereo_Count	0
20392430	Hydrogen_Bond_Donor_Count	1
88279	Undefined_Bond_Stereo_Count	0
86233820	Rotatable_Bond_Count	1
93418	Hydrogen_Bond_Donor_Count	5
537148	Hydrogen_Bond_Acceptor_Count	1
16480	Structure_Complexity	146
45380694	Non-hydrogen_Atom_Count	34
10964456	Structure_Complexity	103
25055	Structure_Complexity	45.8
3395	Molecular_Weight	330.3
25132953	XLogP3-AA	2.3
5368821	Tautomer_Count	1
6917974	Undefined_Atom_Stereo_Count	0
11105495	Non-hydrogen_Atom_Count	7
87478594	TPSA	49.3
14865900	Non-hydrogen_Atom_Count	8
12508258	Covalent_Unit_Count	1
8345	TPSA	71.1
44455730	Undefined_Atom_Stereo_Count	0
85922476	TPSA	20.2
16399351	Undefined_Atom_Stereo_Count	4
83756	Structure_Complexity	89.6
23199087	Exact_Mass	92.037448136
118210244	Hydrogen_Bond_Donor_Count	0
154911	Mono_Isotopic_Weight	247.9845081
549240	TPSA	21.9
71663312	Mono_Isotopic_Weight	540.1728319
19003653	Undefined_Bond_Stereo_Count	0
9793705	Non-hydrogen_Atom_Count	7
11405875	Exact_Mass	364.0978555
53717135	Defined_Atom_Stereo_Count	0
9446	Defined_Bond_Stereo_Count	0
7530	Mono_Isotopic_Weight	122.073164938
91754	Hydrogen_Bond_Donor_Count	0
14392758	Mono_Isotopic_Weight	344.23514488
20429	Molecular_Weight	86.09
122004	Exact_Mass	125.058911855
102311438	Isotope_Atom_Count	0
171378	Molecular_Weight	146.18
16073666	Isotope_Atom_Count	0
13610	Hydrogen_Bond_Acceptor_Count	2
20055342	Total_Formal_Charge	0
202519	Tautomer_Count	11
19429	TPSA	0
15732693	Undefined_Atom_Stereo_Count	1
22049997	Defined_Atom_Stereo_Count	0
6518189	Defined_Atom_Stereo_Count	0
12672	Non-hydrogen_Atom_Count	6
66634681	Rotatable_Bond_Count	1
9259	Molecular_Weight	80.09
24901657	TPSA	134
12001	Exact_Mass	132.05349212
68019	Structure_Complexity	144
17753867	Mono_Isotopic_Weight	289.98038
162268759	Non-hydrogen_Atom_Count	6
9601226	Isotope_Atom_Count	0
5417	Rotatable_Bond_Count	4
10476	XLogP3-AA	1.1
11372	Hydrogen_Bond_Acceptor_Count	0
56845452	Total_Formal_Charge	0
4092621	Hydrogen_Bond_Acceptor_Count	3
242426	Isotope_Atom_Count	0
21864369	Exact_Mass	1483.406877
45270588	Molecular_Weight	497.1
2654	Undefined_Bond_Stereo_Count	1
191519	Covalent_Unit_Count	1
9799	Covalent_Unit_Count	1
5702198	Tautomer_Count	1
135408770	Tautomer_Count	10
7525	Structure_Complexity	59.5
12715	Defined_Atom_Stereo_Count	0
49866025	Defined_Atom_Stereo_Count	2
13567	Non-hydrogen_Atom_Count	8
68745835	Hydrogen_Bond_Donor_Count	1
86429	XLogP3-AA	3.6
75252	XLogP3-AA	2.5
167845	Defined_Bond_Stereo_Count	0
71453749	Non-hydrogen_Atom_Count	30
123913	Defined_Bond_Stereo_Count	0
58952	XLogP3-AA	2.9
222548	Covalent_Unit_Count	1
942119	Molecular_Weight	313.28
17836	XLogP3	3
70321834	Rotatable_Bond_Count	1
129717505	Molecular_Weight	201.22
16590	Non-hydrogen_Atom_Count	8
3033017	XLogP3	2.9
20890	Tautomer_Count	5
16222096	Structure_Complexity	624
132281459	Covalent_Unit_Count	2
130905498	Undefined_Bond_Stereo_Count	0
15129466	Defined_Bond_Stereo_Count	0
7072	Undefined_Atom_Stereo_Count	0
77996	Mono_Isotopic_Weight	416.32904526
12260	Undefined_Atom_Stereo_Count	0
2723755	Non-hydrogen_Atom_Count	6
135398640	Hydrogen_Bond_Donor_Count	5
441443	Total_Formal_Charge	0
5360237	TPSA	293
16132429	Defined_Bond_Stereo_Count	0
17604	Undefined_Atom_Stereo_Count	0
13595226	Structure_Complexity	109
136195727	Covalent_Unit_Count	1
10034060	TPSA	515
169536	Non-hydrogen_Atom_Count	18
13848	Covalent_Unit_Count	1
62583	Isotope_Atom_Count	0
41912	Hydrogen_Bond_Donor_Count	1
643208	Rotatable_Bond_Count	6
44563066	Covalent_Unit_Count	1
11408688	Structure_Complexity	559
4168142	Non-hydrogen_Atom_Count	54
20	Covalent_Unit_Count	1
28125489	Total_Formal_Charge	1
40926	Covalent_Unit_Count	1
54345713	Mono_Isotopic_Weight	100.052429494
284024	Isotope_Atom_Count	0
18314227	XLogP3-AA	1.2
50538	Non-hydrogen_Atom_Count	21
3803614	XLogP3-AA	0.6
21749202	Mono_Isotopic_Weight	116.083729621
56673690	Molecular_Weight	508.0
3799953	Defined_Atom_Stereo_Count	0
85538176	Defined_Atom_Stereo_Count	0
232446	Structure_Complexity	269
328257	Mono_Isotopic_Weight	97.052763847
6918160	Structure_Complexity	399
40469210	Undefined_Atom_Stereo_Count	0
14866914	Mono_Isotopic_Weight	102.031694049
143392159	Mono_Isotopic_Weight	112.052429494
4045	Isotope_Atom_Count	0
22983309	Non-hydrogen_Atom_Count	8
75498	Defined_Bond_Stereo_Count	0
94932	Structure_Complexity	209
150986	Hydrogen_Bond_Acceptor_Count	3
21249654	Total_Formal_Charge	2
5479527	Defined_Atom_Stereo_Count	2
441073	Hydrogen_Bond_Donor_Count	1
9958188	Covalent_Unit_Count	1
528407	Covalent_Unit_Count	1
186044	Exact_Mass	101.047678466
12543515	Molecular_Weight	59.09
9351	TPSA	63.8
2585	Defined_Atom_Stereo_Count	0
10374415	XLogP3-AA	1.2
23663979	Hydrogen_Bond_Donor_Count	2
129716995	XLogP3-AA	8.7
72200037	Exact_Mass	473.29795982
16005261	Hydrogen_Bond_Acceptor_Count	2
78858	Isotope_Atom_Count	0
2285	Isotope_Atom_Count	0
12231382	TPSA	9.2
79196	XLogP3-AA	0
542762	XLogP3-AA	1.3
108092	Defined_Bond_Stereo_Count	0
44563178	Total_Formal_Charge	0
170993	Hydrogen_Bond_Donor_Count	0
44310065	Hydrogen_Bond_Donor_Count	1
6347	Isotope_Atom_Count	0
72429	Undefined_Bond_Stereo_Count	0
15532	Structure_Complexity	256
53846436	Structure_Complexity	688
5599	Non-hydrogen_Atom_Count	15
5289514	XLogP3-AA	4.2
26964	Defined_Bond_Stereo_Count	0
19202	Undefined_Atom_Stereo_Count	0
160312	Total_Formal_Charge	0
701186	Non-hydrogen_Atom_Count	21
53932534	Mono_Isotopic_Weight	115.063328530
92246	Undefined_Atom_Stereo_Count	0
10964453	Molecular_Weight	114.19
59648985	Rotatable_Bond_Count	0
12591596	Defined_Bond_Stereo_Count	0
1342	Tautomer_Count	1
10410468	Covalent_Unit_Count	1
135722088	TPSA	44.7
77016	Covalent_Unit_Count	1
5462099	Tautomer_Count	1
445127	Molecular_Weight	911.7
55300028	Non-hydrogen_Atom_Count	8
12507024	Undefined_Atom_Stereo_Count	1
248580	Mono_Isotopic_Weight	161.084063974
139059561	Structure_Complexity	160
12627075	Covalent_Unit_Count	1
13991616	Molecular_Weight	268.22
935795	Molecular_Weight	316.8
88209	TPSA	37.3
3677	Tautomer_Count	1
16664362	Hydrogen_Bond_Acceptor_Count	4
12950121	Covalent_Unit_Count	1
4595	Defined_Atom_Stereo_Count	0
58116879	Undefined_Atom_Stereo_Count	1
11814656	TPSA	223
92210	Molecular_Weight	116.16
11735949	Undefined_Atom_Stereo_Count	0
4100	Rotatable_Bond_Count	1
102063093	Mono_Isotopic_Weight	168.115029749
1095	Defined_Bond_Stereo_Count	0
11485	Undefined_Atom_Stereo_Count	0
23466227	Structure_Complexity	118
16686	Defined_Bond_Stereo_Count	0
9867361	Covalent_Unit_Count	1
1077757	XLogP3-AA	3.6
13115325	Hydrogen_Bond_Acceptor_Count	0
60999	Defined_Bond_Stereo_Count	0
518516	TPSA	20.2
439207	Tautomer_Count	1
3866	Covalent_Unit_Count	1
3776	Hydrogen_Bond_Acceptor_Count	1
9929785	Undefined_Atom_Stereo_Count	0
22185288	Isotope_Atom_Count	0
55285553	Exact_Mass	101.084063974
83795	Molecular_Weight	128.17
57401682	Structure_Complexity	677
12222	Mono_Isotopic_Weight	54.010564683
55352	Defined_Bond_Stereo_Count	0
131954763	Structure_Complexity	494
18506428	Defined_Bond_Stereo_Count	0
12885790	TPSA	37.4
124708040	Hydrogen_Bond_Acceptor_Count	11
24901285	Exact_Mass	545.1306684
517637	Defined_Bond_Stereo_Count	0
57687	Hydrogen_Bond_Acceptor_Count	4
11336492	Mono_Isotopic_Weight	330.0270564
524894	Defined_Bond_Stereo_Count	0
102318232	Undefined_Atom_Stereo_Count	0
3213	Structure_Complexity	342
25144717	Defined_Bond_Stereo_Count	1
4532218	Isotope_Atom_Count	0
5773	Hydrogen_Bond_Donor_Count	1
1791111	Defined_Bond_Stereo_Count	0
94381	Covalent_Unit_Count	1
72474	Hydrogen_Bond_Donor_Count	2
6204	Mono_Isotopic_Weight	194.154489261
4116	Undefined_Atom_Stereo_Count	0
3097	Total_Formal_Charge	0
159326	XLogP3-AA	4.3
11350701	Isotope_Atom_Count	0
134688669	XLogP3-AA	4.5
154808064	Isotope_Atom_Count	0
119083374	Rotatable_Bond_Count	0
10953456	Defined_Atom_Stereo_Count	0
59067341	Covalent_Unit_Count	1
99764	Rotatable_Bond_Count	0
520780	Exact_Mass	87.068413911
6477971	XLogP3-AA	4.1
5282484	Hydrogen_Bond_Donor_Count	2
83645	Rotatable_Bond_Count	10
10953432	Mono_Isotopic_Weight	98.036779430
3058221	TPSA	108
15690647	Isotope_Atom_Count	0
445258	Structure_Complexity	60.4
12303662	Hydrogen_Bond_Donor_Count	1
407	Covalent_Unit_Count	1
101148	Covalent_Unit_Count	1
181977	Exact_Mass	164.01095860
643327	Hydrogen_Bond_Acceptor_Count	3
705645	Undefined_Bond_Stereo_Count	0
56840877	Isotope_Atom_Count	0
5463858	Rotatable_Bond_Count	0
11801	Non-hydrogen_Atom_Count	17
138991760	Undefined_Bond_Stereo_Count	0
19870792	Defined_Bond_Stereo_Count	0
134836185	Isotope_Atom_Count	0
10390	XLogP3	4.8
53260965	Defined_Atom_Stereo_Count	0
54020544	Mono_Isotopic_Weight	99.032028402
23684896	Covalent_Unit_Count	2
11631565	XLogP3-AA	5.4
20528	Mono_Isotopic_Weight	267.08954328
28871	Isotope_Atom_Count	0
44814409	XLogP3-AA	3.9
137606	Hydrogen_Bond_Donor_Count	0
23394557	Total_Formal_Charge	0
76966897	TPSA	557
59059060	Mono_Isotopic_Weight	112.04367633
954444	Mono_Isotopic_Weight	291.0581549
62477	Covalent_Unit_Count	1
137699572	Total_Formal_Charge	0
70077074	Undefined_Bond_Stereo_Count	0
398593	Undefined_Atom_Stereo_Count	0
9961	Tautomer_Count	1
130124330	Isotope_Atom_Count	0
258030	Total_Formal_Charge	0
20317822	Covalent_Unit_Count	1
427860	Undefined_Bond_Stereo_Count	0
146474223	Exact_Mass	116.047344113
10526	Mono_Isotopic_Weight	398.20932405
20848883	Molecular_Weight	562.1
138961	Undefined_Bond_Stereo_Count	0
136709	Hydrogen_Bond_Acceptor_Count	0
79619	Mono_Isotopic_Weight	157.052763847
20035332	Mono_Isotopic_Weight	84.057514874
52942848	Total_Formal_Charge	0
13248942	Non-hydrogen_Atom_Count	7
127036839	Structure_Complexity	304
122195	Defined_Atom_Stereo_Count	6
96490	Defined_Atom_Stereo_Count	0
6538996	Defined_Bond_Stereo_Count	0
71721420	Covalent_Unit_Count	1
5354076	Hydrogen_Bond_Acceptor_Count	2
8363	Hydrogen_Bond_Acceptor_Count	3
20693611	Rotatable_Bond_Count	0
10537	Defined_Bond_Stereo_Count	0
135565082	TPSA	84.2
46937007	TPSA	203
25127112	Mono_Isotopic_Weight	404.13619017
91513	Undefined_Bond_Stereo_Count	0
58714	Structure_Complexity	187
5381214	Undefined_Bond_Stereo_Count	0
135431094	Structure_Complexity	2510
11815279	Isotope_Atom_Count	0
447021	Defined_Atom_Stereo_Count	0
95162416	Hydrogen_Bond_Donor_Count	8
40390	Covalent_Unit_Count	2
67240072	Undefined_Atom_Stereo_Count	0
91410652	Non-hydrogen_Atom_Count	8
30107	Tautomer_Count	2
151446	Hydrogen_Bond_Donor_Count	5
11788264	Isotope_Atom_Count	0
21107383	Molecular_Weight	376.9
59774	Defined_Atom_Stereo_Count	0
5641	Defined_Bond_Stereo_Count	0
7499	Defined_Atom_Stereo_Count	0
6918314	XLogP3-AA	4
229	Mono_Isotopic_Weight	150.05282342
82273	Total_Formal_Charge	0
18324766	Undefined_Bond_Stereo_Count	0
638026	TPSA	29.5
366248	Hydrogen_Bond_Acceptor_Count	4
48068	Covalent_Unit_Count	3
42884	Non-hydrogen_Atom_Count	26
21026	Non-hydrogen_Atom_Count	11
7523	Hydrogen_Bond_Donor_Count	0
9793735	Molecular_Weight	115.17
25271631	Defined_Bond_Stereo_Count	0
67108443	Hydrogen_Bond_Acceptor_Count	3
90829381	Total_Formal_Charge	0
7652	Total_Formal_Charge	0
15790	TPSA	27.6
219081	Structure_Complexity	615
9863043	Undefined_Bond_Stereo_Count	0
142350	Rotatable_Bond_Count	1
88043361	TPSA	66.9
129849349	Molecular_Weight	205.28
12397138	Undefined_Atom_Stereo_Count	3
750284	Defined_Bond_Stereo_Count	0
21706433	Molecular_Weight	99.13
69521	Undefined_Bond_Stereo_Count	0
3976	Covalent_Unit_Count	1
720471	Molecular_Weight	142.18
5280053	Isotope_Atom_Count	0
42865	Structure_Complexity	280
71453204	Undefined_Bond_Stereo_Count	0
4674	Undefined_Atom_Stereo_Count	0
87355672	TPSA	64.2
15942852	Undefined_Atom_Stereo_Count	2
86278347	Structure_Complexity	535
6433620	Mono_Isotopic_Weight	388.215078140
122173799	Defined_Bond_Stereo_Count	0
157690	Undefined_Bond_Stereo_Count	0
13696436	Isotope_Atom_Count	0
16070030	Hydrogen_Bond_Acceptor_Count	0
8116	Tautomer_Count	1
8113	Rotatable_Bond_Count	4
137993	Isotope_Atom_Count	0
54598431	Rotatable_Bond_Count	0
4556055	Mono_Isotopic_Weight	344.23380221
44155874	Hydrogen_Bond_Acceptor_Count	5
24973796	Total_Formal_Charge	0
12599704	Undefined_Bond_Stereo_Count	0
89068	Isotope_Atom_Count	0
21265	Undefined_Atom_Stereo_Count	0
136264090	Molecular_Weight	1145.3
75705	Undefined_Bond_Stereo_Count	0
3461	Undefined_Atom_Stereo_Count	3
37888454	TPSA	107
546078	XLogP3-AA	0.3
7067897	Hydrogen_Bond_Donor_Count	6
90498	Mono_Isotopic_Weight	84.068748264
3081743	TPSA	62.3
5379102	Exact_Mass	113.084063974
10917	Molecular_Weight	161.20
11073379	Covalent_Unit_Count	1
11115032	Covalent_Unit_Count	1
6850729	TPSA	1
9376	Rotatable_Bond_Count	5
44581145	Molecular_Weight	476.9
8222	Exact_Mass	282.328651340
9578507	Defined_Bond_Stereo_Count	4
135071	Exact_Mass	322.15452557
54688693	Covalent_Unit_Count	1
9474	Mono_Isotopic_Weight	150.00926271
24682	Rotatable_Bond_Count	0
3371	Defined_Atom_Stereo_Count	0
6598	Non-hydrogen_Atom_Count	6
5790	Undefined_Bond_Stereo_Count	0
219020	Mono_Isotopic_Weight	421.27292737
60207207	Hydrogen_Bond_Acceptor_Count	2
40472	Isotope_Atom_Count	0
68258	Undefined_Bond_Stereo_Count	0
19918535	Structure_Complexity	65.1
41839	Mono_Isotopic_Weight	359.0746777
2512	Hydrogen_Bond_Donor_Count	2
439255	TPSA	101
12293	Structure_Complexity	99.7
2542	Mono_Isotopic_Weight	314.224580195
92108	Rotatable_Bond_Count	0
11062432	Undefined_Atom_Stereo_Count	0
14897272	Total_Formal_Charge	0
44916	Defined_Atom_Stereo_Count	0
88850	Defined_Bond_Stereo_Count	0
125127451	Defined_Bond_Stereo_Count	5
260707	Structure_Complexity	126
20563296	Defined_Bond_Stereo_Count	0
22257513	TPSA	23.8
4736391	Hydrogen_Bond_Donor_Count	0
156598696	Isotope_Atom_Count	0
446201	Total_Formal_Charge	0
63093	Isotope_Atom_Count	0
6232	Defined_Atom_Stereo_Count	0
66704467	Exact_Mass	272.02893460
17131	Tautomer_Count	1
60059	Defined_Atom_Stereo_Count	0
74651	Mono_Isotopic_Weight	166.062994177
757	Hydrogen_Bond_Donor_Count	2
720637	Undefined_Atom_Stereo_Count	0
69834	Tautomer_Count	1
449424	Defined_Bond_Stereo_Count	0
53356659	TPSA	101
14523552	Molecular_Weight	378.4
53696	Tautomer_Count	1
22178808	XLogP3-AA	16
2315	TPSA	135
137727	Defined_Atom_Stereo_Count	0
446067	Structure_Complexity	1580
87592747	XLogP3-AA	0.6
15774	Mono_Isotopic_Weight	481.20108287
46631	XLogP3-AA	1.3
24771824	Isotope_Atom_Count	0
5187	Undefined_Atom_Stereo_Count	4
15969	Molecular_Weight	220.05
9848024	Molecular_Weight	480.6
25203153	Non-hydrogen_Atom_Count	7
21304401	Total_Formal_Charge	0
11073376	Structure_Complexity	160
61293	Non-hydrogen_Atom_Count	11
11639859	Hydrogen_Bond_Donor_Count	1
10290812	Undefined_Atom_Stereo_Count	0
13095	Defined_Bond_Stereo_Count	0
534204	Molecular_Weight	96.13
9366	Defined_Bond_Stereo_Count	0
31716	Defined_Atom_Stereo_Count	0
12984	Hydrogen_Bond_Acceptor_Count	0
80125	Covalent_Unit_Count	1
6971007	Total_Formal_Charge	0
258383	Exact_Mass	95.073499291
595230	TPSA	53.1
5249	XLogP3-AA	6.2
96457	TPSA	112
573612	Undefined_Bond_Stereo_Count	0
31244	Covalent_Unit_Count	1
125651	Mono_Isotopic_Weight	235.132076794
4630	Structure_Complexity	293
65919	Defined_Atom_Stereo_Count	0
705467	Exact_Mass	249.13649347
90235	TPSA	70.3
37545	Covalent_Unit_Count	1
6075	Defined_Atom_Stereo_Count	0
134826477	Rotatable_Bond_Count	19
25010556	Non-hydrogen_Atom_Count	26
5289085	Rotatable_Bond_Count	6
54111025	Defined_Bond_Stereo_Count	0
285097	Molecular_Weight	184.27
447340	Hydrogen_Bond_Acceptor_Count	3
135398729	Exact_Mass	237.08618923
22448	TPSA	45.8
92114	Hydrogen_Bond_Donor_Count	0
14592758	Covalent_Unit_Count	1
12364784	XLogP3-AA	0.7
5741	TPSA	38.8
13788048	Structure_Complexity	520
301417	Molecular_Weight	110.11
619446	Exact_Mass	278.11583301
14585707	Exact_Mass	114.068079557
6626	Structure_Complexity	302
46738768	Undefined_Bond_Stereo_Count	0
139292184	Defined_Bond_Stereo_Count	0
153386860	Non-hydrogen_Atom_Count	8
66162	Isotope_Atom_Count	0
15130831	Mono_Isotopic_Weight	356.1422188
2723733	Hydrogen_Bond_Acceptor_Count	11
15765799	Isotope_Atom_Count	0
19283	Undefined_Bond_Stereo_Count	0
17358	Isotope_Atom_Count	0
107280	Hydrogen_Bond_Acceptor_Count	6
59999797	Defined_Atom_Stereo_Count	0
19595920	Rotatable_Bond_Count	0
135887820	Mono_Isotopic_Weight	876.45207349
16211115	Exact_Mass	169.06736854
68847	Molecular_Weight	376.5
56841936	Non-hydrogen_Atom_Count	13
134767951	Undefined_Bond_Stereo_Count	0
15853200	Covalent_Unit_Count	1
58206	XLogP3-AA	0.6
3760	Total_Formal_Charge	0
138148	Structure_Complexity	55.2
34766	Structure_Complexity	199
4884	Covalent_Unit_Count	1
12828792	Rotatable_Bond_Count	2
12202794	Defined_Bond_Stereo_Count	0
17820196	Hydrogen_Bond_Donor_Count	0
62300	TPSA	23.6
3054	TPSA	40.5
72373	Exact_Mass	234.02067859
24503	Undefined_Atom_Stereo_Count	0
7422	Molecular_Weight	137.14
649217	Covalent_Unit_Count	1
5367460	Structure_Complexity	327
92450317	Defined_Bond_Stereo_Count	2
6328144	Hydrogen_Bond_Acceptor_Count	0
21124389	Defined_Bond_Stereo_Count	0
6438372	Defined_Atom_Stereo_Count	1
57796	Hydrogen_Bond_Donor_Count	2
12892785	Structure_Complexity	101
67535	Rotatable_Bond_Count	1
57503849	Tautomer_Count	1
75460	Molecular_Weight	157.60
11602	Mono_Isotopic_Weight	82.078250319
5684	Hydrogen_Bond_Acceptor_Count	5
6330188	Undefined_Atom_Stereo_Count	0
4486	Tautomer_Count	9
9286	Non-hydrogen_Atom_Count	15
21685	TPSA	20.2
76013	Total_Formal_Charge	0
91280177	Mono_Isotopic_Weight	110.109550447
44349142	Exact_Mass	765.42004509
136649217	Undefined_Bond_Stereo_Count	0
3890	Hydrogen_Bond_Acceptor_Count	5
139348436	Structure_Complexity	103
16219580	Structure_Complexity	151
19571	XLogP3	5.1
3033821	Exact_Mass	335.13822480
15752274	Defined_Bond_Stereo_Count	0
426	Rotatable_Bond_Count	11
5365910	Tautomer_Count	1
88043	Exact_Mass	150.079312947
6914821	Isotope_Atom_Count	0
11974213	Molecular_Weight	485.0
42808	Tautomer_Count	1
25094630	Covalent_Unit_Count	1
135394876	Isotope_Atom_Count	0
41287	Isotope_Atom_Count	0
436906	Isotope_Atom_Count	0
70693585	Rotatable_Bond_Count	6
5898	Defined_Bond_Stereo_Count	0
22476544	Mono_Isotopic_Weight	101.047678466
135476784	Rotatable_Bond_Count	2
82234717	Hydrogen_Bond_Acceptor_Count	2
5323976	Defined_Atom_Stereo_Count	0
210	Molecular_Weight	674.6
65894	Rotatable_Bond_Count	3
8165	Covalent_Unit_Count	1
160723	Molecular_Weight	246.31
7678	Defined_Atom_Stereo_Count	0
154141939	Hydrogen_Bond_Acceptor_Count	3
33515	TPSA	12.9
165154846	Mono_Isotopic_Weight	112.052429494
70697366	XLogP3-AA	3.5
185498	Total_Formal_Charge	2
3001860	Covalent_Unit_Count	1
85382	Rotatable_Bond_Count	4
66536	Structure_Complexity	516
12599701	Isotope_Atom_Count	0
12040508	Exact_Mass	405.02516722
5311504	Rotatable_Bond_Count	3
7628	Isotope_Atom_Count	0
76008	Defined_Bond_Stereo_Count	0
68850055	XLogP3-AA	1.9
23677832	Tautomer_Count	1
2723810	Hydrogen_Bond_Acceptor_Count	2
13150	Exact_Mass	130.062994177
60813	Undefined_Bond_Stereo_Count	0
12413939	Rotatable_Bond_Count	2
272696	Structure_Complexity	82.7
66876120	Hydrogen_Bond_Acceptor_Count	2
139807	Hydrogen_Bond_Donor_Count	0
9889366	Molecular_Weight	438.6
121827	Total_Formal_Charge	0
91250151	XLogP3-AA	2.5
81382	Non-hydrogen_Atom_Count	30
36149	Undefined_Atom_Stereo_Count	0
20192394	Structure_Complexity	139
3780	Hydrogen_Bond_Acceptor_Count	8
21803156	Rotatable_Bond_Count	1
11611218	Molecular_Weight	409.3
10154017	Molecular_Weight	103.16
18445434	TPSA	41.1
66803155	Exact_Mass	711.29042790
18601660	Defined_Atom_Stereo_Count	5
23892	Molecular_Weight	360.1
8262	Non-hydrogen_Atom_Count	13
410702	Non-hydrogen_Atom_Count	18
646135	Hydrogen_Bond_Donor_Count	2
118990144	Exact_Mass	97.052763847
91021644	Total_Formal_Charge	0
11818	Hydrogen_Bond_Donor_Count	0
57784	Tautomer_Count	3
66369	Tautomer_Count	1
27979	XLogP3-AA	1.4
43515	Total_Formal_Charge	0
9065	Tautomer_Count	1
136507	Mono_Isotopic_Weight	108.057514874
91867648	Isotope_Atom_Count	1
58385	Rotatable_Bond_Count	9
5282386	Exact_Mass	280.1706265
16036788	Isotope_Atom_Count	0
5312978	Isotope_Atom_Count	0
16759993	Structure_Complexity	457
53387504	Isotope_Atom_Count	0
7124	Mono_Isotopic_Weight	173.047678466
97006	Hydrogen_Bond_Acceptor_Count	3
200	Tautomer_Count	5
57483528	Defined_Bond_Stereo_Count	0
5311271	Hydrogen_Bond_Acceptor_Count	5
57229732	Non-hydrogen_Atom_Count	8
68600	XLogP3-AA	3.7
53153	XLogP3	0.3
11947765	Hydrogen_Bond_Acceptor_Count	5
5121	XLogP3	2.5
4468	Covalent_Unit_Count	1
56631355	TPSA	40.5
73333	Molecular_Weight	401.5
56668819	Hydrogen_Bond_Donor_Count	1
657202	TPSA	26.3
58979809	Hydrogen_Bond_Acceptor_Count	2
70542877	Mono_Isotopic_Weight	97.027611728
6970	Isotope_Atom_Count	0
8264	Defined_Atom_Stereo_Count	0
3050	Undefined_Bond_Stereo_Count	0
846	Isotope_Atom_Count	0
132472265	Total_Formal_Charge	0
5015	Rotatable_Bond_Count	6
23685289	TPSA	58.4
43806	Hydrogen_Bond_Donor_Count	2
5282761	Undefined_Bond_Stereo_Count	0
30107	Isotope_Atom_Count	0
11503417	Mono_Isotopic_Weight	454.33077660
123271707	Covalent_Unit_Count	1
10310138	Structure_Complexity	632
44321290	Exact_Mass	548.35151204
6166	Non-hydrogen_Atom_Count	24
10041	Rotatable_Bond_Count	0
73353577	Exact_Mass	358.0655100
55290736	Molecular_Weight	97.16
3199	Tautomer_Count	153
10112	Isotope_Atom_Count	0
47024	Tautomer_Count	2
24765417	XLogP3-AA	2.4
162642814	Total_Formal_Charge	0
99824	Isotope_Atom_Count	0
107196	Structure_Complexity	52.5
55290197	Hydrogen_Bond_Donor_Count	2
1035	Rotatable_Bond_Count	12
5159	Defined_Atom_Stereo_Count	0
23694214	Defined_Atom_Stereo_Count	7
2336	Defined_Atom_Stereo_Count	0
10630437	Total_Formal_Charge	0
68352	Hydrogen_Bond_Acceptor_Count	2
69275	Structure_Complexity	135
14055	Exact_Mass	51.010899036
24385	Isotope_Atom_Count	0
537236	Undefined_Bond_Stereo_Count	0
31250	TPSA	77.9
136304	Covalent_Unit_Count	1
87901	Undefined_Atom_Stereo_Count	0
66602	Covalent_Unit_Count	1
31344	XLogP3-AA	0
6433586	Total_Formal_Charge	0
54467044	Undefined_Atom_Stereo_Count	1
6436041	Covalent_Unit_Count	1
20793238	Non-hydrogen_Atom_Count	7
103002	Defined_Atom_Stereo_Count	0
21441185	Defined_Atom_Stereo_Count	0
21835032	TPSA	12
44237360	Undefined_Bond_Stereo_Count	0
3033871	Tautomer_Count	2
135436533	TPSA	108
62865	Undefined_Bond_Stereo_Count	0
9918	Hydrogen_Bond_Acceptor_Count	1
123415454	Exact_Mass	97.089149355
735950	Defined_Atom_Stereo_Count	0
61080	Rotatable_Bond_Count	5
408536	Molecular_Weight	512.6
60921	Defined_Atom_Stereo_Count	0
138041	Non-hydrogen_Atom_Count	2
12940701	Hydrogen_Bond_Acceptor_Count	5
23982	Exact_Mass	157.92411
9718	Rotatable_Bond_Count	0
129827902	Defined_Bond_Stereo_Count	0
9838022	Rotatable_Bond_Count	5
219023	Molecular_Weight	398.4
15657508	Non-hydrogen_Atom_Count	7
5311136	Undefined_Atom_Stereo_Count	0
20055089	TPSA	12.5
61474	Defined_Atom_Stereo_Count	0
151085	XLogP3-AA	0.2
46485	Hydrogen_Bond_Donor_Count	2
461399	Hydrogen_Bond_Acceptor_Count	8
4175	Hydrogen_Bond_Acceptor_Count	4
6645	Non-hydrogen_Atom_Count	12
91590871	Hydrogen_Bond_Acceptor_Count	3
12497740	Rotatable_Bond_Count	2
164575893	Total_Formal_Charge	0
821645	Defined_Bond_Stereo_Count	1
136585	XLogP3-AA	2.4
84976	TPSA	103
1551553	Undefined_Bond_Stereo_Count	0
26618	Isotope_Atom_Count	0
852452	TPSA	59.8
1728	Molecular_Weight	344.4
20519089	Rotatable_Bond_Count	16
54686350	Molecular_Weight	241.28
669019	TPSA	54.6
7934	XLogP3	1.4
7397	Undefined_Atom_Stereo_Count	0
10000989	Undefined_Atom_Stereo_Count	0
73603	Defined_Bond_Stereo_Count	0
19789137	Defined_Atom_Stereo_Count	0
89101416	Defined_Atom_Stereo_Count	0
16197725	TPSA	2950
12529300	Isotope_Atom_Count	0
79688	Hydrogen_Bond_Acceptor_Count	1
6429029	XLogP3-AA	0.8
12811926	Covalent_Unit_Count	1
143321	Non-hydrogen_Atom_Count	8
54556623	Hydrogen_Bond_Donor_Count	2
95997	Tautomer_Count	2
11499204	Isotope_Atom_Count	0
2724032	Hydrogen_Bond_Acceptor_Count	1
19903	Structure_Complexity	58.6
14074	Exact_Mass	87.068413911
25171662	Undefined_Atom_Stereo_Count	0
138059664	Rotatable_Bond_Count	25
16220095	Mono_Isotopic_Weight	525.24750046
12908367	Undefined_Atom_Stereo_Count	1
395999	Defined_Bond_Stereo_Count	0
5355853	Rotatable_Bond_Count	7
70383887	Defined_Atom_Stereo_Count	0
60150204	Undefined_Bond_Stereo_Count	0
82419	Covalent_Unit_Count	1
534204	Non-hydrogen_Atom_Count	7
92758	Isotope_Atom_Count	0
54081	Hydrogen_Bond_Acceptor_Count	3
85539715	Undefined_Bond_Stereo_Count	0
71456725	Total_Formal_Charge	0
24483	XLogP3	5.7
16052007	Hydrogen_Bond_Acceptor_Count	7
7116	Tautomer_Count	1
81540	Total_Formal_Charge	0
19734140	Defined_Atom_Stereo_Count	0
14263148	Defined_Bond_Stereo_Count	0
6918146	Undefined_Atom_Stereo_Count	2
137705114	Structure_Complexity	415
3025803	Defined_Atom_Stereo_Count	0
127036660	Total_Formal_Charge	0
139085	Rotatable_Bond_Count	0
148350	Hydrogen_Bond_Donor_Count	0
1125887	Undefined_Atom_Stereo_Count	0
5160	Covalent_Unit_Count	1
49862519	XLogP3-AA	4.7
22225900	Defined_Atom_Stereo_Count	0
74441087	Undefined_Atom_Stereo_Count	1
6519	Mono_Isotopic_Weight	719.710750
23668198	Rotatable_Bond_Count	3
55300789	Defined_Atom_Stereo_Count	0
10937607	Covalent_Unit_Count	1
829	Non-hydrogen_Atom_Count	8
96523	Undefined_Atom_Stereo_Count	0
6997338	Covalent_Unit_Count	1
43424	Defined_Bond_Stereo_Count	0
51984	Undefined_Atom_Stereo_Count	0
18316	Exact_Mass	254.224580195
139085145	Covalent_Unit_Count	1
81058	Hydrogen_Bond_Donor_Count	1
15559658	TPSA	12
128913	Covalent_Unit_Count	1
105007	Defined_Bond_Stereo_Count	0
96393	Mono_Isotopic_Weight	126.079312947
87927	Hydrogen_Bond_Donor_Count	0
58265196	Non-hydrogen_Atom_Count	12
4387	Rotatable_Bond_Count	8
68245262	Covalent_Unit_Count	1
17148	Isotope_Atom_Count	0
11182588	Non-hydrogen_Atom_Count	8
226274	Molecular_Weight	113.16
6607	Isotope_Atom_Count	0
11233	Isotope_Atom_Count	0
6442	Defined_Atom_Stereo_Count	0
10430	XLogP3	1.2
2734250	Undefined_Bond_Stereo_Count	0
71311215	Non-hydrogen_Atom_Count	24
20508	Defined_Atom_Stereo_Count	0
135431223	Covalent_Unit_Count	1
429551	Hydrogen_Bond_Acceptor_Count	2
131451246	Non-hydrogen_Atom_Count	7
12942137	Covalent_Unit_Count	1
28204	Non-hydrogen_Atom_Count	23
10286834	XLogP3-AA	3.2
11116020	Exact_Mass	113.047678466
5230729	Hydrogen_Bond_Acceptor_Count	1
12744661	Hydrogen_Bond_Acceptor_Count	1
135975	Structure_Complexity	413
14082	Tautomer_Count	1
21321822	TPSA	6.5
135431272	Hydrogen_Bond_Donor_Count	2
231405	Isotope_Atom_Count	0
5359227	Mono_Isotopic_Weight	397.12903910
11332471	Hydrogen_Bond_Donor_Count	1
44031	Hydrogen_Bond_Donor_Count	1
8425	XLogP3	4
92246	Isotope_Atom_Count	0
5283381	XLogP3-AA	7.2
67371	Total_Formal_Charge	0
398745	Defined_Bond_Stereo_Count	0
21276	Covalent_Unit_Count	1
49769060	Mono_Isotopic_Weight	719.42446176
8946	Undefined_Atom_Stereo_Count	1
10887868	Hydrogen_Bond_Acceptor_Count	2
3559	Rotatable_Bond_Count	6
25014844	Defined_Atom_Stereo_Count	0
56663238	Non-hydrogen_Atom_Count	31
148118273	Isotope_Atom_Count	0
16821	Mono_Isotopic_Weight	198.161979940
10112	Undefined_Bond_Stereo_Count	0
161760	Defined_Bond_Stereo_Count	0
4224	Covalent_Unit_Count	1
12275055	Rotatable_Bond_Count	0
10509	Isotope_Atom_Count	0
19738210	Defined_Atom_Stereo_Count	0
2105	Undefined_Bond_Stereo_Count	0
92764	Molecular_Weight	254.3
260716	Covalent_Unit_Count	1
138062	Non-hydrogen_Atom_Count	7
91370278	Exact_Mass	94.078250319
23552425	TPSA	41.1
139035087	Defined_Atom_Stereo_Count	0
519247	Total_Formal_Charge	0
10866282	Undefined_Bond_Stereo_Count	0
7673	Mono_Isotopic_Weight	135.01427034
3280	Isotope_Atom_Count	0
3007744	Undefined_Atom_Stereo_Count	0
16779	Non-hydrogen_Atom_Count	22
9820073	Total_Formal_Charge	0
149164080	Hydrogen_Bond_Acceptor_Count	1
136729	XLogP3-AA	3.8
51763	Covalent_Unit_Count	2
61060	Defined_Atom_Stereo_Count	3
45277565	Defined_Bond_Stereo_Count	0
54382	Isotope_Atom_Count	0
91465	Molecular_Weight	388.7
208922	Isotope_Atom_Count	0
101798	Hydrogen_Bond_Acceptor_Count	6
226	Molecular_Weight	79.038
102366731	Undefined_Bond_Stereo_Count	0
78170	Non-hydrogen_Atom_Count	18
23664980	Mono_Isotopic_Weight	456.09671647
25153273	Non-hydrogen_Atom_Count	11
4097	Rotatable_Bond_Count	7
90098	Molecular_Weight	237.33
84986	Isotope_Atom_Count	0
41889	Isotope_Atom_Count	0
6435812	TPSA	24.8
66828839	Hydrogen_Bond_Donor_Count	3
24832040	Undefined_Atom_Stereo_Count	0
6918025	Defined_Atom_Stereo_Count	8
4456	Undefined_Atom_Stereo_Count	0
54586718	Isotope_Atom_Count	0
163050674	Undefined_Bond_Stereo_Count	0
220001	Molecular_Weight	164.16
68304	Mono_Isotopic_Weight	325.1808568
131668624	XLogP3-AA	2.7
100094	Covalent_Unit_Count	1
11078406	Defined_Bond_Stereo_Count	0
57642301	Undefined_Atom_Stereo_Count	2
517072	Rotatable_Bond_Count	0
73707	Isotope_Atom_Count	0
446873	Hydrogen_Bond_Donor_Count	4
12709580	Structure_Complexity	112
5222844	Non-hydrogen_Atom_Count	6
10895019	Covalent_Unit_Count	1
5311027	Mono_Isotopic_Weight	415.27225866
68736	Exact_Mass	223.06095954
9590	TPSA	45.8
85026	Defined_Atom_Stereo_Count	0
1289	Total_Formal_Charge	0
8225	Exact_Mass	384.23005950
636362	Isotope_Atom_Count	0
25223	Covalent_Unit_Count	1
18182	TPSA	49.9
26132	Total_Formal_Charge	0
57392505	Undefined_Atom_Stereo_Count	1
5368010	Hydrogen_Bond_Donor_Count	0
11681588	Undefined_Atom_Stereo_Count	0
59421472	Molecular_Weight	121.10
70308	Hydrogen_Bond_Donor_Count	0
11832800	Hydrogen_Bond_Acceptor_Count	1
409438	Hydrogen_Bond_Donor_Count	1
11796	Defined_Bond_Stereo_Count	0
55317	Undefined_Bond_Stereo_Count	0
14944519	Rotatable_Bond_Count	21
66735	Hydrogen_Bond_Acceptor_Count	1
99923	Total_Formal_Charge	0
124246	Structure_Complexity	665
108059	XLogP3-AA	2.9
25273215	Total_Formal_Charge	1
58158	Defined_Atom_Stereo_Count	0
3045400	Hydrogen_Bond_Acceptor_Count	5
23080859	Hydrogen_Bond_Donor_Count	1
6992563	Exact_Mass	287.19573968
10198719	Molecular_Weight	243.33
5327686	Non-hydrogen_Atom_Count	30
10041	Hydrogen_Bond_Acceptor_Count	0
44563177	Rotatable_Bond_Count	5
123641140	Defined_Atom_Stereo_Count	0
80542	Rotatable_Bond_Count	4
12475877	Mono_Isotopic_Weight	120.02450067
11539562	Mono_Isotopic_Weight	445.11618739
33713	Total_Formal_Charge	0
39268	Structure_Complexity	436
527031	Total_Formal_Charge	0
45140016	Defined_Bond_Stereo_Count	1
129814671	Defined_Bond_Stereo_Count	0
73356082	Covalent_Unit_Count	1
6436057	Structure_Complexity	548
527511	Hydrogen_Bond_Donor_Count	0
3927	Molecular_Weight	380.5
15967	XLogP3-AA	5.2
9064	Rotatable_Bond_Count	1
20782688	Undefined_Bond_Stereo_Count	0
1549045	Defined_Atom_Stereo_Count	0
66038870	Structure_Complexity	102
147246726	Total_Formal_Charge	0
41095	XLogP3	3.3
85787089	XLogP3-AA	0.7
4168	Structure_Complexity	300
266651	Undefined_Atom_Stereo_Count	12
92781	XLogP3-AA	1
11538592	Rotatable_Bond_Count	4
4369579	Defined_Bond_Stereo_Count	0
60710317	Undefined_Atom_Stereo_Count	0
16204530	Molecular_Weight	174.33
8705	Tautomer_Count	6
178565	Tautomer_Count	4
3939	Structure_Complexity	2
197883	Tautomer_Count	1
131731747	Non-hydrogen_Atom_Count	13
173636	Total_Formal_Charge	0
11180	Defined_Atom_Stereo_Count	0
33038	Isotope_Atom_Count	0
11673148	Total_Formal_Charge	0
65432	Total_Formal_Charge	0
62760	Defined_Atom_Stereo_Count	0
12262514	Defined_Atom_Stereo_Count	0
155491161	TPSA	68.6
13082758	Defined_Atom_Stereo_Count	0
114739	Total_Formal_Charge	0
72015	Hydrogen_Bond_Donor_Count	3
143007	Hydrogen_Bond_Acceptor_Count	1
156651923	TPSA	21.8
133662562	Mono_Isotopic_Weight	181.06674293
3022	Defined_Atom_Stereo_Count	0
12269	Molecular_Weight	238.45
12647151	Structure_Complexity	118
95883	TPSA	101
439260	Isotope_Atom_Count	0
19905962	Molecular_Weight	114.14
5370052	Covalent_Unit_Count	1
23713799	Tautomer_Count	1
13745	Rotatable_Bond_Count	5
6917951	Exact_Mass	398.20932405
69763756	Defined_Bond_Stereo_Count	0
13427979	Defined_Atom_Stereo_Count	0
4433698	TPSA	214
5363229	Tautomer_Count	5
61027	Defined_Bond_Stereo_Count	0
12538241	Hydrogen_Bond_Acceptor_Count	3
27489	Defined_Atom_Stereo_Count	0
138663	Covalent_Unit_Count	1
54270986	Exact_Mass	339.97701816
97050130	Molecular_Weight	342.30
7068	Tautomer_Count	3
55511	Non-hydrogen_Atom_Count	17
2723922	TPSA	23.1
6491	TPSA	58.2
79577298	Isotope_Atom_Count	0
202792	Exact_Mass	212.06981089
4403	Molecular_Weight	361.25
9899007	Total_Formal_Charge	0
360154	Isotope_Atom_Count	0
10967532	Total_Formal_Charge	0
91655	Tautomer_Count	1
79123	Undefined_Atom_Stereo_Count	1
85538179	Structure_Complexity	169
23633604	Defined_Bond_Stereo_Count	0
71762	Non-hydrogen_Atom_Count	73
135992838	Undefined_Bond_Stereo_Count	0
6433154	TPSA	43.4
84020522	XLogP3-AA	0.6
3438	XLogP3	0.4
11482181	Hydrogen_Bond_Acceptor_Count	4
12309466	Hydrogen_Bond_Donor_Count	0
5362485	Undefined_Bond_Stereo_Count	0
71449859	TPSA	114
15461361	Defined_Bond_Stereo_Count	2
47721	Defined_Bond_Stereo_Count	0
241419	Hydrogen_Bond_Donor_Count	1
23525993	Hydrogen_Bond_Donor_Count	1
54345713	Total_Formal_Charge	0
67434749	Mono_Isotopic_Weight	100.100048391
17864302	Undefined_Atom_Stereo_Count	0
43853	Isotope_Atom_Count	0
37251	Non-hydrogen_Atom_Count	20
13046622	Hydrogen_Bond_Acceptor_Count	1
27562	Rotatable_Bond_Count	1
3033637	Non-hydrogen_Atom_Count	21
62436	Structure_Complexity	230
129873282	Isotope_Atom_Count	0
1669	Mono_Isotopic_Weight	167.094628657
57401681	Undefined_Atom_Stereo_Count	0
44626421	Non-hydrogen_Atom_Count	49
8590	Total_Formal_Charge	0
10558611	Total_Formal_Charge	0
3799953	Molecular_Weight	78.16
20748	Molecular_Weight	142.20
44431182	Rotatable_Bond_Count	8
74823	Covalent_Unit_Count	1
12217061	Molecular_Weight	97.12
10301	Molecular_Weight	136.15
15812317	Structure_Complexity	96.4
11062343	Covalent_Unit_Count	1
84731066	Total_Formal_Charge	0
123668737	Exact_Mass	114.042927438
75389	Defined_Atom_Stereo_Count	0
92824	Molecular_Weight	134.09
19601937	Isotope_Atom_Count	0
31953	Total_Formal_Charge	0
171409	Rotatable_Bond_Count	15
75220691	Rotatable_Bond_Count	9
11804893	Undefined_Atom_Stereo_Count	0
22678982	Isotope_Atom_Count	0
29696	Undefined_Atom_Stereo_Count	0
12236733	Undefined_Atom_Stereo_Count	0
10347891	Undefined_Bond_Stereo_Count	0
5287779	Total_Formal_Charge	0
129627923	Exact_Mass	271.99333348
20270668	Hydrogen_Bond_Acceptor_Count	1
87140770	Exact_Mass	117.042593085
6433101	Isotope_Atom_Count	0
132274074	Molecular_Weight	1620.7
6165447	Covalent_Unit_Count	1
68576	Undefined_Bond_Stereo_Count	0
65793	TPSA	80.3
83949	XLogP3-AA	3.2
5356544	Total_Formal_Charge	0
9280	Structure_Complexity	249
22660	Hydrogen_Bond_Donor_Count	1
16719	Undefined_Bond_Stereo_Count	0
117752163	Covalent_Unit_Count	1
12333	Rotatable_Bond_Count	2
66	Molecular_Weight	163.00
11017510	Mono_Isotopic_Weight	610.14628337
7485	TPSA	55
14895680	Isotope_Atom_Count	0
6087	Structure_Complexity	600
6867	Mono_Isotopic_Weight	203.094628657
12656387	Structure_Complexity	128
113606	Molecular_Weight	195.17
720637	Isotope_Atom_Count	0
550830	Undefined_Atom_Stereo_Count	2
12866541	Hydrogen_Bond_Donor_Count	0
44123551	Defined_Bond_Stereo_Count	1
54051670	Undefined_Atom_Stereo_Count	0
7153	Rotatable_Bond_Count	3
129474	Defined_Atom_Stereo_Count	0
15559311	Isotope_Atom_Count	0
60196302	Molecular_Weight	378.5
54080009	Defined_Bond_Stereo_Count	0
123585399	Non-hydrogen_Atom_Count	7
129827453	Structure_Complexity	387
25102720	Hydrogen_Bond_Donor_Count	5
53846436	Defined_Bond_Stereo_Count	0
70487	Hydrogen_Bond_Donor_Count	4
70276605	Isotope_Atom_Count	0
9570985	Non-hydrogen_Atom_Count	38
11502188	XLogP3-AA	3.3
208901	Non-hydrogen_Atom_Count	28
81890	Defined_Atom_Stereo_Count	0
10440976	Total_Formal_Charge	0
25059	TPSA	66.9
557796	Covalent_Unit_Count	1
6254	XLogP3-AA	2.7
581	Defined_Atom_Stereo_Count	0
22096568	Defined_Bond_Stereo_Count	0
95162564	Defined_Bond_Stereo_Count	0
8111	Isotope_Atom_Count	0
5352543	Rotatable_Bond_Count	9
5364628	Isotope_Atom_Count	0
465951	Rotatable_Bond_Count	4
69963	Isotope_Atom_Count	0
75194	Non-hydrogen_Atom_Count	30
593578	Isotope_Atom_Count	0
3033832	Covalent_Unit_Count	2
13291788	Undefined_Atom_Stereo_Count	0
1899	Isotope_Atom_Count	0
9536	Undefined_Atom_Stereo_Count	0
53977	Molecular_Weight	1162.8
68120	Rotatable_Bond_Count	1
135020	Rotatable_Bond_Count	2
16157	Total_Formal_Charge	0
2518	Covalent_Unit_Count	1
252139	Rotatable_Bond_Count	4
62751	Hydrogen_Bond_Donor_Count	0
9577004	Rotatable_Bond_Count	1
5323604	Undefined_Atom_Stereo_Count	0
4580	Structure_Complexity	608
10687	Tautomer_Count	9
1979	Mono_Isotopic_Weight	169.110278721
71987	Isotope_Atom_Count	0
7858	Hydrogen_Bond_Acceptor_Count	1
13065896	Hydrogen_Bond_Donor_Count	0
25209	Defined_Bond_Stereo_Count	0
15273523	Undefined_Atom_Stereo_Count	0
21453	Total_Formal_Charge	0
6597	Undefined_Atom_Stereo_Count	0
595928	Isotope_Atom_Count	0
7474	Exact_Mass	156.9930561
10721	Hydrogen_Bond_Donor_Count	0
15509898	Covalent_Unit_Count	1
9743	TPSA	20.2
39709	Mono_Isotopic_Weight	331.12421471
11260	Undefined_Atom_Stereo_Count	1
10285780	Total_Formal_Charge	0
129769827	TPSA	38.4
44629596	Hydrogen_Bond_Acceptor_Count	4
53032	Defined_Atom_Stereo_Count	3
143061	Isotope_Atom_Count	0
146808246	TPSA	21.9
16220118	Non-hydrogen_Atom_Count	21
7436	Isotope_Atom_Count	0
56430	Structure_Complexity	87.9
22206	Molecular_Weight	229.71
2103	Isotope_Atom_Count	0
14232	Hydrogen_Bond_Donor_Count	1
12793	Non-hydrogen_Atom_Count	11
71622385	Molecular_Weight	152.19
141725394	Exact_Mass	103.063328530
23668002	Defined_Bond_Stereo_Count	0
54677756	Rotatable_Bond_Count	1
87300	Hydrogen_Bond_Donor_Count	1
71530	Exact_Mass	332.08613
5468154	Total_Formal_Charge	0
66187	Total_Formal_Charge	0
57565697	Total_Formal_Charge	0
98810	Rotatable_Bond_Count	5
5301	XLogP3-AA	0.5
25171662	Isotope_Atom_Count	0
192843	Covalent_Unit_Count	1
6427071	Undefined_Atom_Stereo_Count	0
24762	XLogP3-AA	7.8
63893	Defined_Atom_Stereo_Count	0
103079114	Molecular_Weight	113.12
20392	Covalent_Unit_Count	1
3353976	Exact_Mass	191.07284784
95258	Covalent_Unit_Count	1
3246155	Non-hydrogen_Atom_Count	28
9871	Undefined_Atom_Stereo_Count	0
2003	Hydrogen_Bond_Acceptor_Count	2
12256033	Undefined_Bond_Stereo_Count	0
153254665	XLogP3-AA	1.4
137530132	Hydrogen_Bond_Acceptor_Count	5
54326118	Exact_Mass	110.048012819
77332	Non-hydrogen_Atom_Count	8
125286696	Defined_Bond_Stereo_Count	2
5702214	Undefined_Bond_Stereo_Count	0
70258	Exact_Mass	96.021129366
49853967	Structure_Complexity	617
5829	Molecular_Weight	102.18
18069	Covalent_Unit_Count	1
6433	Undefined_Bond_Stereo_Count	0
31117	Defined_Bond_Stereo_Count	0
54288820	Molecular_Weight	118.13
11668120	Defined_Bond_Stereo_Count	0
121763	XLogP3-AA	1
5282226	Hydrogen_Bond_Acceptor_Count	9
18953179	Mono_Isotopic_Weight	626.7775
254454	Covalent_Unit_Count	1
11625425	XLogP3-AA	3.4
638011	Covalent_Unit_Count	1
88077632	Mono_Isotopic_Weight	155.142041939
15951	Structure_Complexity	176
13867124	Undefined_Bond_Stereo_Count	0
6918223	Molecular_Weight	304.73
9548590	Isotope_Atom_Count	0
57674785	Covalent_Unit_Count	1
21715653	Undefined_Bond_Stereo_Count	0
33653	Isotope_Atom_Count	0
11593706	Mono_Isotopic_Weight	211.0611356
18954381	Covalent_Unit_Count	1
92979	Undefined_Atom_Stereo_Count	0
11625818	TPSA	99.2
16073666	XLogP3-AA	4.8
398631	Undefined_Atom_Stereo_Count	0
22559336	Hydrogen_Bond_Donor_Count	0
18727537	Exact_Mass	98.084398327
140988277	Defined_Bond_Stereo_Count	0
21093905	Isotope_Atom_Count	0
33929	Defined_Atom_Stereo_Count	0
9543026	TPSA	389
16683101	Rotatable_Bond_Count	3
22096	Hydrogen_Bond_Donor_Count	0
100937012	Defined_Bond_Stereo_Count	0
580481	Non-hydrogen_Atom_Count	15
14759390	Mono_Isotopic_Weight	116.047344113
240	Defined_Atom_Stereo_Count	0
11106352	Rotatable_Bond_Count	0
11969781	Rotatable_Bond_Count	7
135546482	Isotope_Atom_Count	0
24472	Tautomer_Count	1
67546	Tautomer_Count	1
127382	Hydrogen_Bond_Acceptor_Count	5
11967617	Molecular_Weight	1104.99
643189	Undefined_Bond_Stereo_Count	0
81729	Mono_Isotopic_Weight	204.183778013
92214	Non-hydrogen_Atom_Count	11
24181458	Undefined_Bond_Stereo_Count	0
5702628	Total_Formal_Charge	0
12376	Defined_Bond_Stereo_Count	0
44359653	Undefined_Bond_Stereo_Count	0
10130337	Defined_Atom_Stereo_Count	1
54572793	TPSA	45.1
65898	Tautomer_Count	10
23675453	Structure_Complexity	368
74470	Undefined_Atom_Stereo_Count	0
15947217	Isotope_Atom_Count	0
15446403	Hydrogen_Bond_Donor_Count	0
91329391	Covalent_Unit_Count	1
54099616	Defined_Atom_Stereo_Count	0
75317	Molecular_Weight	122.17
65111	Total_Formal_Charge	0
5280450	Molecular_Weight	280.4
145729	Mono_Isotopic_Weight	388.00728326
83644	XLogP3-AA	3.3
10248	Molecular_Weight	208.25
24915	Isotope_Atom_Count	0
25063260	Exact_Mass	565.2013347
11107	Mono_Isotopic_Weight	156.068748264
21426352	Undefined_Atom_Stereo_Count	1
163771360	Covalent_Unit_Count	1
4953	Tautomer_Count	40
14671559	Non-hydrogen_Atom_Count	8
904	Covalent_Unit_Count	1
60195811	Undefined_Bond_Stereo_Count	0
68321900	Covalent_Unit_Count	1
12481	Hydrogen_Bond_Donor_Count	1
70683024	Hydrogen_Bond_Donor_Count	12
3015798	TPSA	90.7
13512	Defined_Bond_Stereo_Count	0
216225	TPSA	110
10433	Defined_Bond_Stereo_Count	0
79003661	Undefined_Bond_Stereo_Count	0
20062234	Rotatable_Bond_Count	0
10253728	Undefined_Atom_Stereo_Count	0
17656	Total_Formal_Charge	0
15973	Mono_Isotopic_Weight	357.11134135
10171348	Defined_Bond_Stereo_Count	1
11469055	Covalent_Unit_Count	1
5109	Defined_Bond_Stereo_Count	0
446167	Structure_Complexity	221
439791	Molecular_Weight	102.18
9830615	Defined_Atom_Stereo_Count	4
12637126	Undefined_Bond_Stereo_Count	0
66935111	Exact_Mass	101.084063974
71459167	Rotatable_Bond_Count	5
11249342	Molecular_Weight	337.4
9860946	Hydrogen_Bond_Donor_Count	1
130037140	Covalent_Unit_Count	1
42079	TPSA	32.3
74682	Defined_Bond_Stereo_Count	0
548	Hydrogen_Bond_Donor_Count	3
5459110	TPSA	59.1
5213	Undefined_Bond_Stereo_Count	0
8693	Total_Formal_Charge	0
7823	Exact_Mass	134.094294304
6538	Non-hydrogen_Atom_Count	20
5371246	Total_Formal_Charge	0
667639	Defined_Bond_Stereo_Count	1
118701498	Hydrogen_Bond_Acceptor_Count	3
59221	Undefined_Bond_Stereo_Count	0
9268	Exact_Mass	168.187800766
13401682	TPSA	33
12548640	Rotatable_Bond_Count	2
59696370	Defined_Atom_Stereo_Count	0
16989	Undefined_Bond_Stereo_Count	0
29393	TPSA	163
9423	Total_Formal_Charge	0
22341299	Hydrogen_Bond_Acceptor_Count	4
715567	TPSA	69
100969894	Isotope_Atom_Count	0
135992838	Rotatable_Bond_Count	2
12372	Molecular_Weight	111.18
5472495	Rotatable_Bond_Count	4
137530132	Covalent_Unit_Count	1
157684	Exact_Mass	825.3868268
76654	Rotatable_Bond_Count	4
5206	XLogP3-AA	2.8
135505	Defined_Bond_Stereo_Count	0
62274	Rotatable_Bond_Count	0
101915880	Total_Formal_Charge	0
6358	Total_Formal_Charge	0
62416539	Undefined_Bond_Stereo_Count	0
3452	Total_Formal_Charge	0
6604472	Undefined_Bond_Stereo_Count	0
20387223	Non-hydrogen_Atom_Count	7
99058	Hydrogen_Bond_Donor_Count	6
7220	Defined_Bond_Stereo_Count	0
17344	Defined_Atom_Stereo_Count	0
69270	TPSA	46.3
80045	Structure_Complexity	224
71310692	TPSA	60.7
73782	XLogP3	2.9
12561969	Non-hydrogen_Atom_Count	8
5281006	Undefined_Bond_Stereo_Count	0
12364760	Hydrogen_Bond_Acceptor_Count	1
9895035	Mono_Isotopic_Weight	604.34471258
46830239	Rotatable_Bond_Count	3
4369491	XLogP3-AA	3.5
135392460	Hydrogen_Bond_Acceptor_Count	1
62705863	Defined_Bond_Stereo_Count	0
23694671	Hydrogen_Bond_Acceptor_Count	2
14197638	TPSA	26
79642	Molecular_Weight	231.63
58125082	Exact_Mass	109.063997236
75471	Molecular_Weight	157.25
37933	Rotatable_Bond_Count	11
5948	Structure_Complexity	72.1
135449328	Exact_Mass	446.12600561
13003788	Undefined_Atom_Stereo_Count	5
7135	Hydrogen_Bond_Donor_Count	1
11634725	Defined_Atom_Stereo_Count	1
151726	Tautomer_Count	16
12167	Hydrogen_Bond_Donor_Count	0
13800357	Covalent_Unit_Count	1
461279	Hydrogen_Bond_Acceptor_Count	10
6140	Isotope_Atom_Count	0
8925	Hydrogen_Bond_Donor_Count	0
68078	Hydrogen_Bond_Acceptor_Count	2
12591555	Undefined_Bond_Stereo_Count	0
57401194	Undefined_Bond_Stereo_Count	0
13019052	Mono_Isotopic_Weight	416.32904526
2226	Mono_Isotopic_Weight	552.31189162
91100506	Structure_Complexity	75.3
13413379	Undefined_Bond_Stereo_Count	0
1211493	Covalent_Unit_Count	1
16036825	Total_Formal_Charge	0
53507	XLogP3	3.9
13184286	Total_Formal_Charge	0
135527345	Defined_Bond_Stereo_Count	0
35525	Mono_Isotopic_Weight	166.110613074
10485	Undefined_Bond_Stereo_Count	0
298082	Mono_Isotopic_Weight	112.052429494
15830	Non-hydrogen_Atom_Count	10
4011971	Isotope_Atom_Count	0
12344797	Non-hydrogen_Atom_Count	8
17779280	TPSA	51.2
87646	Defined_Bond_Stereo_Count	0
2771758	Defined_Bond_Stereo_Count	0
266742	Structure_Complexity	104
13860601	Isotope_Atom_Count	0
6101956	Hydrogen_Bond_Donor_Count	1
10432339	Covalent_Unit_Count	1
50888	Non-hydrogen_Atom_Count	24
6234	Hydrogen_Bond_Acceptor_Count	3
3456	Structure_Complexity	440
21988305	Isotope_Atom_Count	0
65871	TPSA	113
129769827	Defined_Bond_Stereo_Count	0
94355	Defined_Atom_Stereo_Count	0
268370	Molecular_Weight	324.4
47297	Defined_Bond_Stereo_Count	0
31378	Molecular_Weight	380.4
10723	Mono_Isotopic_Weight	148.088815002
71226662	Total_Formal_Charge	0
107994	Structure_Complexity	619
5491930	Exact_Mass	78.00654193
126968495	Undefined_Bond_Stereo_Count	2
86359	Hydrogen_Bond_Acceptor_Count	0
769	Hydrogen_Bond_Acceptor_Count	3
3883	Undefined_Atom_Stereo_Count	1
22212137	TPSA	18.5
65335	Defined_Bond_Stereo_Count	0
9270	Tautomer_Count	1
2399	Exact_Mass	327.100776666
10194504	Defined_Bond_Stereo_Count	0
1009	Mono_Isotopic_Weight	720.01216123
58242071	Mono_Isotopic_Weight	100.088815002
12318317	Molecular_Weight	131.17
13728301	Undefined_Atom_Stereo_Count	2
4740700	Exact_Mass	149.060254526
10309028	Molecular_Weight	356.4
91010248	Total_Formal_Charge	0
134688474	Defined_Bond_Stereo_Count	0
2219	Isotope_Atom_Count	0
5277135	Tautomer_Count	1
10964417	Mono_Isotopic_Weight	95.073499291
70682584	Exact_Mass	438.18379527
16113378	Hydrogen_Bond_Donor_Count	1
779179	Non-hydrogen_Atom_Count	25
6431	Covalent_Unit_Count	1
145521	Isotope_Atom_Count	0
10775424	Undefined_Bond_Stereo_Count	0
69161653	XLogP3-AA	1.1
10027278	XLogP3-AA	5.2
85844257	XLogP3-AA	1.7
14626842	Molecular_Weight	420.5
95162412	Hydrogen_Bond_Donor_Count	8
46218908	Mono_Isotopic_Weight	580.28969963
129695690	Defined_Bond_Stereo_Count	0
10964421	Hydrogen_Bond_Donor_Count	1
135522261	Defined_Bond_Stereo_Count	0
72376365	Exact_Mass	785.31085
129847163	Defined_Atom_Stereo_Count	8
21359349	Mono_Isotopic_Weight	155.142041939
5311333	Non-hydrogen_Atom_Count	79
10197619	Non-hydrogen_Atom_Count	6
2766	Undefined_Bond_Stereo_Count	1
18352756	Defined_Bond_Stereo_Count	0
11291	Total_Formal_Charge	0
6219	Non-hydrogen_Atom_Count	22
15250	Hydrogen_Bond_Acceptor_Count	2
9474	Structure_Complexity	90.3
26660	Molecular_Weight	177.24
3874	TPSA	188
6207	Undefined_Bond_Stereo_Count	0
2844	Defined_Atom_Stereo_Count	0
153274062	TPSA	257
4202286	Non-hydrogen_Atom_Count	50
11431912	Hydrogen_Bond_Donor_Count	2
91589206	Covalent_Unit_Count	1
87010	XLogP3-AA	1
44565820	Non-hydrogen_Atom_Count	23
689750	Mono_Isotopic_Weight	232.06703418
16049376	Defined_Atom_Stereo_Count	1
57327016	Hydrogen_Bond_Donor_Count	4
57656232	Rotatable_Bond_Count	1
21855	Tautomer_Count	2
3105	Undefined_Bond_Stereo_Count	0
10678204	Non-hydrogen_Atom_Count	8
8002	XLogP3	2.8
23688907	Defined_Bond_Stereo_Count	0
611446	Hydrogen_Bond_Acceptor_Count	0
66561	Tautomer_Count	1
82658	Defined_Atom_Stereo_Count	1
53939339	TPSA	21.6
6554040	Hydrogen_Bond_Acceptor_Count	4
5462951	Undefined_Atom_Stereo_Count	2
3132	Defined_Atom_Stereo_Count	0
21822	Total_Formal_Charge	0
12242822	Mono_Isotopic_Weight	155.142041939
87560	Covalent_Unit_Count	1
12882502	Exact_Mass	112.088815002
13443454	Structure_Complexity	84.2
1715	Tautomer_Count	1
6918973	Rotatable_Bond_Count	5
935707	Isotope_Atom_Count	0
59886072	Non-hydrogen_Atom_Count	12
91827799	Rotatable_Bond_Count	1
11829372	Covalent_Unit_Count	1
5483	TPSA	67.4
79297905	Molecular_Weight	97.12
86922	Defined_Bond_Stereo_Count	0
135665263	Undefined_Atom_Stereo_Count	0
3940691	Non-hydrogen_Atom_Count	16
6828	Exact_Mass	268.157563266
58242071	Undefined_Atom_Stereo_Count	2
10964421	XLogP3	1.6
38852	Covalent_Unit_Count	5
123698	Molecular_Weight	295.8
149208291	Structure_Complexity	96.4
91469	Defined_Bond_Stereo_Count	0
444104	Total_Formal_Charge	0
12711588	Undefined_Bond_Stereo_Count	0
524646	Defined_Bond_Stereo_Count	0
19829703	TPSA	64.2
47319	Mono_Isotopic_Weight	928.50852574
12551763	Isotope_Atom_Count	0
104778	Isotope_Atom_Count	0
146156428	Defined_Bond_Stereo_Count	0
23724913	Tautomer_Count	1
123998	Tautomer_Count	1000
8831	XLogP3-AA	3.2
59952	Isotope_Atom_Count	0
90722224	TPSA	9.2
11949597	XLogP3-AA	1.5
44401302	Rotatable_Bond_Count	9
153668204	Isotope_Atom_Count	0
8926	Tautomer_Count	1
565251	Isotope_Atom_Count	0
1189	Rotatable_Bond_Count	2
135626366	Structure_Complexity	128
55281352	Covalent_Unit_Count	1
446871	Exact_Mass	466.01407238
1343	Rotatable_Bond_Count	2
44368	Non-hydrogen_Atom_Count	21
2734054	Defined_Atom_Stereo_Count	1
5365327	Structure_Complexity	79.8
125461706	Isotope_Atom_Count	0
4582877	Structure_Complexity	172
232656	Non-hydrogen_Atom_Count	8
57565697	Exact_Mass	116.083729621
136673	Mono_Isotopic_Weight	98.109550447
10305301	Defined_Atom_Stereo_Count	1
521928	Structure_Complexity	635
1821	Hydrogen_Bond_Donor_Count	4
47676	XLogP3-AA	3.5
133268464	Isotope_Atom_Count	0
162461	Rotatable_Bond_Count	3
148546155	Undefined_Atom_Stereo_Count	0
44339046	Hydrogen_Bond_Donor_Count	2
23690206	Defined_Atom_Stereo_Count	13
57406717	Hydrogen_Bond_Acceptor_Count	5
964856	Mono_Isotopic_Weight	275.094628657
28837	XLogP3	6.6
65670951	Hydrogen_Bond_Donor_Count	0
135418283	Undefined_Atom_Stereo_Count	1
71329	Exact_Mass	441.13921332
69135	Isotope_Atom_Count	0
129211	Undefined_Atom_Stereo_Count	0
5326160	Structure_Complexity	27
5311498	Covalent_Unit_Count	3
70807	Total_Formal_Charge	0
20587	Rotatable_Bond_Count	5
129681809	Covalent_Unit_Count	1
16033	Undefined_Bond_Stereo_Count	0
24764	Defined_Atom_Stereo_Count	0
43558816	Structure_Complexity	123
9536	Rotatable_Bond_Count	8
15577855	Mono_Isotopic_Weight	110.073164938
11758093	Total_Formal_Charge	0
102426204	Exact_Mass	416.32904526
18757800	Defined_Bond_Stereo_Count	0
49652	Non-hydrogen_Atom_Count	26
72257	TPSA	78.9
45140016	Hydrogen_Bond_Acceptor_Count	8
89580	Molecular_Weight	88.11
53425533	Covalent_Unit_Count	1
75195	Total_Formal_Charge	0
3014827	Structure_Complexity	2.8
23644194	Undefined_Bond_Stereo_Count	0
55289163	Mono_Isotopic_Weight	114.079312947
123940588	Defined_Bond_Stereo_Count	0
12057264	Hydrogen_Bond_Acceptor_Count	1
3853312	Defined_Atom_Stereo_Count	0
55303612	Mono_Isotopic_Weight	113.047678466
137208	Non-hydrogen_Atom_Count	5
92043128	Exact_Mass	837.16598
4842	Hydrogen_Bond_Donor_Count	0
95566292	Hydrogen_Bond_Acceptor_Count	3
14065290	Covalent_Unit_Count	1
6292	Exact_Mass	250.110613074
1422	Defined_Atom_Stereo_Count	0
9817140	XLogP3-AA	3.1
154103	Total_Formal_Charge	0
19859	Tautomer_Count	3
151170	Rotatable_Bond_Count	5
162342152	Hydrogen_Bond_Acceptor_Count	2
15686	Exact_Mass	358.25079494
146474256	Undefined_Atom_Stereo_Count	2
701741	XLogP3-AA	1.8
71105	XLogP3-AA	1.9
67108333	Total_Formal_Charge	0
3033985	Total_Formal_Charge	0
9576002	Isotope_Atom_Count	0
86811213	TPSA	49.8
44563067	Hydrogen_Bond_Acceptor_Count	6
139077515	Defined_Bond_Stereo_Count	0
22078	Exact_Mass	199.0400063
71420	Exact_Mass	512.1997337
16058752	Defined_Bond_Stereo_Count	0
185617	Defined_Atom_Stereo_Count	5
81784	Tautomer_Count	1
5365773	Molecular_Weight	254.41
11006	Undefined_Bond_Stereo_Count	0
980	Structure_Complexity	123
119544	Exact_Mass	304.215078140
675587	Undefined_Atom_Stereo_Count	0
83966	Defined_Atom_Stereo_Count	0
9956324	Undefined_Atom_Stereo_Count	0
63093	XLogP3	6.8
24808640	Defined_Atom_Stereo_Count	0
59600546	XLogP3-AA	0.8
8858	Molecular_Weight	98.14
17857	XLogP3-AA	1.1
2356	Total_Formal_Charge	0
2430	Total_Formal_Charge	0
128820	Defined_Atom_Stereo_Count	0
69504120	Defined_Atom_Stereo_Count	0
897	Molecular_Weight	220.22
75057	Undefined_Atom_Stereo_Count	0
45285	Rotatable_Bond_Count	11
9846588	Hydrogen_Bond_Acceptor_Count	8
16219567	Non-hydrogen_Atom_Count	23
2778574	TPSA	9.2
68745835	Undefined_Atom_Stereo_Count	0
95400	Covalent_Unit_Count	1
542	Hydrogen_Bond_Donor_Count	1
14440442	Exact_Mass	100.03851076
247839	Tautomer_Count	15
12894	Exact_Mass	267.06776246
60529	Structure_Complexity	301
4764	Undefined_Atom_Stereo_Count	0
76403	Hydrogen_Bond_Acceptor_Count	1
12513420	XLogP3-AA	0.9
221292	Structure_Complexity	116
139986	Non-hydrogen_Atom_Count	7
99564	XLogP3-AA	0.1
3526	XLogP3-AA	1.7
15988075	Hydrogen_Bond_Donor_Count	3
29809	Defined_Bond_Stereo_Count	0
129099419	Mono_Isotopic_Weight	114.104465066
786	Non-hydrogen_Atom_Count	15
40666	Hydrogen_Bond_Donor_Count	1
168963	Isotope_Atom_Count	0
19938019	Undefined_Bond_Stereo_Count	0
9425	Undefined_Bond_Stereo_Count	0
9707	Mono_Isotopic_Weight	112.032442941
89306	Exact_Mass	210.161979940
53931	Defined_Bond_Stereo_Count	0
3033825	Mono_Isotopic_Weight	280.10725903
12548640	Hydrogen_Bond_Acceptor_Count	2
22140765	Exact_Mass	113.058911855
66379	Molecular_Weight	411.36
398661	Exact_Mass	291.18344366
288862	Non-hydrogen_Atom_Count	18
10442928	Mono_Isotopic_Weight	204.187800766
87446	Rotatable_Bond_Count	0
15427	TPSA	12.4
18715492	Total_Formal_Charge	0
115197	Molecular_Weight	74.08
7672	Defined_Bond_Stereo_Count	0
3034372	Molecular_Weight	166.20
9570290	XLogP3	4.4
24776154	TPSA	82.6
81627	Structure_Complexity	185
22675	Total_Formal_Charge	0
9942132	Rotatable_Bond_Count	0
13204	Exact_Mass	114.068079557
62414	Hydrogen_Bond_Acceptor_Count	6
596	Defined_Bond_Stereo_Count	0
549405	Defined_Atom_Stereo_Count	0
11970	Mono_Isotopic_Weight	152.047344113
25244520	Non-hydrogen_Atom_Count	10
11069	Molecular_Weight	422.5
94398	Covalent_Unit_Count	1
57707	Mono_Isotopic_Weight	305.0949343
14640738	TPSA	29.5
196445	Exact_Mass	298.09872823
71986	Total_Formal_Charge	0
3848	Rotatable_Bond_Count	3
91339524	Mono_Isotopic_Weight	96.068748264
57406717	Covalent_Unit_Count	1
5311054	Mono_Isotopic_Weight	1154.74992724
590907	Non-hydrogen_Atom_Count	12
62739	Molecular_Weight	258.23
25982	Undefined_Atom_Stereo_Count	2
441189	Mono_Isotopic_Weight	240.13347377
164333	Hydrogen_Bond_Donor_Count	1
2346	Exact_Mass	149.02992040
9570639	Molecular_Weight	388.6
6670	Non-hydrogen_Atom_Count	15
7520	Undefined_Bond_Stereo_Count	0
53864533	Undefined_Atom_Stereo_Count	0
47676	Covalent_Unit_Count	1
9576891	Undefined_Bond_Stereo_Count	0
112553	Exact_Mass	168.115029749
25526	Structure_Complexity	1150
958	Undefined_Bond_Stereo_Count	7
265237	Undefined_Bond_Stereo_Count	0
27581	Covalent_Unit_Count	1
157455	Isotope_Atom_Count	0
107977	Exact_Mass	143.131014166
5282398	Non-hydrogen_Atom_Count	43
584807	XLogP3-AA	3.5
17100	Rotatable_Bond_Count	1
2666	Defined_Bond_Stereo_Count	0
13220626	Isotope_Atom_Count	0
4904	Non-hydrogen_Atom_Count	22
131744	Molecular_Weight	116.16
137572	Covalent_Unit_Count	1
25070195	Structure_Complexity	536
407	Isotope_Atom_Count	0
9852746	Total_Formal_Charge	0
6426849	Rotatable_Bond_Count	7
14920523	Rotatable_Bond_Count	1
5353959	Hydrogen_Bond_Donor_Count	4
117957447	Hydrogen_Bond_Donor_Count	2
31353	Undefined_Atom_Stereo_Count	1
95978	Non-hydrogen_Atom_Count	12
15628	Covalent_Unit_Count	1
46244259	Exact_Mass	441.18346091
4688	Undefined_Bond_Stereo_Count	0
6324103	Hydrogen_Bond_Acceptor_Count	2
145454	Mono_Isotopic_Weight	215.09799996
76991	Exact_Mass	186.068079557
972505	Hydrogen_Bond_Acceptor_Count	6
91996283	Hydrogen_Bond_Acceptor_Count	4
88534608	Non-hydrogen_Atom_Count	8
17234	Defined_Bond_Stereo_Count	0
208832	Covalent_Unit_Count	1
5460263	Undefined_Bond_Stereo_Count	0
10038849	Hydrogen_Bond_Donor_Count	1
10780	Hydrogen_Bond_Donor_Count	0
22875828	Isotope_Atom_Count	0
46866319	Isotope_Atom_Count	0
117721	Total_Formal_Charge	0
66130	Undefined_Bond_Stereo_Count	0
90916291	Non-hydrogen_Atom_Count	6
4196	Hydrogen_Bond_Donor_Count	1
22038	Molecular_Weight	428.6
5281794	Defined_Bond_Stereo_Count	1
6427770	Undefined_Bond_Stereo_Count	0
155613706	Non-hydrogen_Atom_Count	8
70690634	TPSA	108
692366	Rotatable_Bond_Count	3
23672302	Total_Formal_Charge	0
84647731	TPSA	29.5
68414798	Defined_Bond_Stereo_Count	0
57136075	Structure_Complexity	93.2
10975436	Rotatable_Bond_Count	0
76973769	XLogP3-AA	2.5
83517	Tautomer_Count	1
138611145	Covalent_Unit_Count	1
83003418	Undefined_Bond_Stereo_Count	0
22149470	Covalent_Unit_Count	1
129600765	Hydrogen_Bond_Acceptor_Count	11
7413	Exact_Mass	128.083729621
23080901	Rotatable_Bond_Count	2
499988	Non-hydrogen_Atom_Count	30
115098	Defined_Atom_Stereo_Count	4
33721	Hydrogen_Bond_Donor_Count	1
77530	Hydrogen_Bond_Donor_Count	0
11953	Covalent_Unit_Count	1
20561716	Hydrogen_Bond_Acceptor_Count	3
44310254	Total_Formal_Charge	0
546996	Hydrogen_Bond_Acceptor_Count	1
2341	Exact_Mass	239.167399674
17892701	Isotope_Atom_Count	0
53325875	Mono_Isotopic_Weight	412.0606145
17778385	TPSA	38.6
10131269	Mono_Isotopic_Weight	254.0345865
88984133	Total_Formal_Charge	0
71457293	Covalent_Unit_Count	1
92093	Undefined_Atom_Stereo_Count	0
185617	Tautomer_Count	19
159157	TPSA	89
130150414	Isotope_Atom_Count	0
9571037	Defined_Atom_Stereo_Count	0
119072	Defined_Atom_Stereo_Count	2
4302960	XLogP3-AA	4.8
1684	XLogP3-AA	4.6
134976	Hydrogen_Bond_Acceptor_Count	4
348554	Rotatable_Bond_Count	0
91849037	TPSA	190
8005	Exact_Mass	92.0392780
14524652	Rotatable_Bond_Count	0
21560064	Non-hydrogen_Atom_Count	8
403821	Mono_Isotopic_Weight	301.08447515
24944555	Hydrogen_Bond_Donor_Count	0
86252	Tautomer_Count	2
105426944	Defined_Bond_Stereo_Count	0
71397	Undefined_Bond_Stereo_Count	0
11180	Exact_Mass	350.143551
442072	Total_Formal_Charge	0
50878566	Isotope_Atom_Count	0
16213095	Covalent_Unit_Count	2
23700188	Undefined_Bond_Stereo_Count	0
556722	Non-hydrogen_Atom_Count	8
44263853	Mono_Isotopic_Weight	966.28524644
160576	Isotope_Atom_Count	0
443295	Total_Formal_Charge	0
4438527	Defined_Atom_Stereo_Count	0
5280804	Non-hydrogen_Atom_Count	33
135071	Defined_Bond_Stereo_Count	0
42334	Undefined_Atom_Stereo_Count	2
31352	Exact_Mass	254.13655304
6398764	Covalent_Unit_Count	2
1414	Mono_Isotopic_Weight	280.20384475
5287971	Isotope_Atom_Count	0
20713453	Structure_Complexity	118
5809202	Undefined_Atom_Stereo_Count	3
53674114	Undefined_Bond_Stereo_Count	0
1310	Defined_Bond_Stereo_Count	0
1125887	Molecular_Weight	419.3
12630477	Undefined_Atom_Stereo_Count	2
6837	Rotatable_Bond_Count	2
4693	Mono_Isotopic_Weight	776.31382363
70623	Isotope_Atom_Count	0
9785	Tautomer_Count	10
13485104	Undefined_Atom_Stereo_Count	1
8005	Undefined_Atom_Stereo_Count	0
70680969	Covalent_Unit_Count	1
5148108	Rotatable_Bond_Count	9
118723025	Rotatable_Bond_Count	6
6059187	Defined_Atom_Stereo_Count	0
117968974	Defined_Bond_Stereo_Count	0
33038	Hydrogen_Bond_Acceptor_Count	2
439782	Undefined_Atom_Stereo_Count	1
587128	Non-hydrogen_Atom_Count	11
313444	Defined_Atom_Stereo_Count	0
18414702	XLogP3-AA	0.3
6210	Structure_Complexity	63.1
19375416	Defined_Atom_Stereo_Count	0
133914	Structure_Complexity	589
9823454	Defined_Atom_Stereo_Count	1
6883	XLogP3	1.3
16132265	Defined_Atom_Stereo_Count	36
98048102	Structure_Complexity	756
118121642	Non-hydrogen_Atom_Count	8
57403154	Hydrogen_Bond_Donor_Count	4
126968495	Defined_Atom_Stereo_Count	19
79583	Defined_Bond_Stereo_Count	0
24825271	XLogP3-AA	2.7
107647	Molecular_Weight	210.11
121267708	Covalent_Unit_Count	1
91474	Total_Formal_Charge	0
919792	Undefined_Atom_Stereo_Count	0
13653	Defined_Bond_Stereo_Count	0
135471308	Structure_Complexity	257
7734	XLogP3-AA	3.5
17982851	Total_Formal_Charge	0
827	Molecular_Weight	152.15
46942	Non-hydrogen_Atom_Count	14
12871376	Hydrogen_Bond_Donor_Count	0
20979505	Hydrogen_Bond_Donor_Count	0
33344	Rotatable_Bond_Count	0
43013	Hydrogen_Bond_Donor_Count	1
2734229	Structure_Complexity	206
71584542	Exact_Mass	413.18517499
7530950	Defined_Atom_Stereo_Count	3
131130	Hydrogen_Bond_Donor_Count	4
56683653	Undefined_Bond_Stereo_Count	0
973938	XLogP3-AA	2
12431582	Undefined_Bond_Stereo_Count	0
5388906	Rotatable_Bond_Count	8
9903930	Structure_Complexity	375
47519	Molecular_Weight	102.13
6369388	Non-hydrogen_Atom_Count	20
21336123	Covalent_Unit_Count	1
23891	Hydrogen_Bond_Acceptor_Count	2
118984404	Hydrogen_Bond_Acceptor_Count	6
2812075	Covalent_Unit_Count	1
6426742	Covalent_Unit_Count	1
75057	Exact_Mass	354.409975663
141583717	TPSA	49.7
5287494	Hydrogen_Bond_Acceptor_Count	3
12200971	Non-hydrogen_Atom_Count	8
44224131	Mono_Isotopic_Weight	376.0760747
8797	Hydrogen_Bond_Donor_Count	0
9871074	XLogP3-AA	3.7
22836365	Molecular_Weight	181.15
30251	TPSA	16.6
123451	Defined_Bond_Stereo_Count	0
107921	Mono_Isotopic_Weight	218.105527694
5284530	Rotatable_Bond_Count	7
5355457	Covalent_Unit_Count	1
823816	Exact_Mass	347.10923335
3081386	Total_Formal_Charge	0
89602862	Undefined_Bond_Stereo_Count	0
15086461	Exact_Mass	108.068748264
12229743	Structure_Complexity	52.8
3017320	XLogP3-AA	2.2
17753912	TPSA	0
28532	Exact_Mass	163.038176411
57541268	Mono_Isotopic_Weight	391.20082506
10658	Mono_Isotopic_Weight	186.031694049
437289	Structure_Complexity	604
11514319	Defined_Atom_Stereo_Count	0
7056	Mono_Isotopic_Weight	162.0236279
20587905	TPSA	23.8
135992859	Isotope_Atom_Count	0
99132	Structure_Complexity	436
22611003	Undefined_Atom_Stereo_Count	0
10888051	Hydrogen_Bond_Donor_Count	0
33263	Hydrogen_Bond_Donor_Count	1
9904502	Total_Formal_Charge	0
668508	Undefined_Bond_Stereo_Count	1
5363269	Defined_Atom_Stereo_Count	0
21998678	Structure_Complexity	138
2778	Undefined_Atom_Stereo_Count	17
286595	Undefined_Atom_Stereo_Count	0
5167	Hydrogen_Bond_Acceptor_Count	5
44226825	Mono_Isotopic_Weight	306.16588839
12265	Covalent_Unit_Count	1
3385	Total_Formal_Charge	0
82162	Structure_Complexity	190
89493263	Structure_Complexity	158
64510	Defined_Bond_Stereo_Count	0
20929	Tautomer_Count	1
40903	Structure_Complexity	763
123888456	Rotatable_Bond_Count	1
62380	Defined_Atom_Stereo_Count	0
518900	Hydrogen_Bond_Acceptor_Count	3
5463599	Structure_Complexity	62.1
122403924	Rotatable_Bond_Count	30
57972066	Exact_Mass	342.11621151
14646171	Undefined_Atom_Stereo_Count	1
91932	Rotatable_Bond_Count	3
11173546	Non-hydrogen_Atom_Count	21
22269415	Rotatable_Bond_Count	0
91827561	Hydrogen_Bond_Acceptor_Count	18
5068681	Defined_Atom_Stereo_Count	0
86736	Undefined_Bond_Stereo_Count	0
34719	TPSA	29.5
13220626	Undefined_Bond_Stereo_Count	0
13757192	Non-hydrogen_Atom_Count	8
12607503	Undefined_Bond_Stereo_Count	0
459494	Covalent_Unit_Count	1
98614	Rotatable_Bond_Count	0
185226	Molecular_Weight	95.14
7016	Structure_Complexity	180
23675349	Rotatable_Bond_Count	4
5463134	Covalent_Unit_Count	1
96335	Defined_Atom_Stereo_Count	0
620625	XLogP3-AA	1
28697	Undefined_Bond_Stereo_Count	0
15034112	Rotatable_Bond_Count	0
3025721	XLogP3	2.8
24967621	Hydrogen_Bond_Acceptor_Count	4
12271363	Structure_Complexity	137
5281576	TPSA	83.8
9425	Defined_Atom_Stereo_Count	0
49865732	TPSA	87.9
10062737	Hydrogen_Bond_Acceptor_Count	5
68681	Isotope_Atom_Count	0
67978393	Molecular_Weight	96.13
49937	Non-hydrogen_Atom_Count	10
13927605	Non-hydrogen_Atom_Count	6
44359653	Exact_Mass	1264.59104382
76964745	Structure_Complexity	410
9075	Mono_Isotopic_Weight	157.0658271
59473233	Defined_Bond_Stereo_Count	0
45120310	Total_Formal_Charge	0
21696748	Isotope_Atom_Count	0
11594	Undefined_Bond_Stereo_Count	0
154479899	Undefined_Atom_Stereo_Count	3
38988322	Total_Formal_Charge	0
5293	Structure_Complexity	858
91558991	Covalent_Unit_Count	1
9953732	Non-hydrogen_Atom_Count	30
20146588	Defined_Atom_Stereo_Count	0
138914	Non-hydrogen_Atom_Count	8
150310	Non-hydrogen_Atom_Count	30
11020241	Isotope_Atom_Count	0
9827294	Undefined_Bond_Stereo_Count	0
81056	Rotatable_Bond_Count	0
23662871	Exact_Mass	492.01742078
8775	Molecular_Weight	366.08
13704283	Total_Formal_Charge	0
69640	Hydrogen_Bond_Acceptor_Count	2
903755	Undefined_Bond_Stereo_Count	0
64423	Non-hydrogen_Atom_Count	22
60199634	Isotope_Atom_Count	0
5357258	TPSA	0
68363	Covalent_Unit_Count	1
98941	Hydrogen_Bond_Donor_Count	0
21585139	Structure_Complexity	0
42040	Non-hydrogen_Atom_Count	15
10039774	Hydrogen_Bond_Acceptor_Count	2
46841787	Hydrogen_Bond_Acceptor_Count	13
154489025	XLogP3-AA	0.2
9866622	Undefined_Atom_Stereo_Count	5
91274	Undefined_Atom_Stereo_Count	0
5376	Mono_Isotopic_Weight	371.224914549
413019	Structure_Complexity	385
123966800	Molecular_Weight	111.10
39356	Hydrogen_Bond_Acceptor_Count	2
6829	Molecular_Weight	199.20
57215030	Hydrogen_Bond_Acceptor_Count	1
70128954	Defined_Atom_Stereo_Count	0
156232885	Hydrogen_Bond_Acceptor_Count	12
141445129	Non-hydrogen_Atom_Count	8
196989	Undefined_Bond_Stereo_Count	0
53914733	XLogP3-AA	0.6
1429	Structure_Complexity	316
19816653	Covalent_Unit_Count	1
14612499	Undefined_Atom_Stereo_Count	2
9994296	Defined_Bond_Stereo_Count	0
31101	Isotope_Atom_Count	0
80676	Hydrogen_Bond_Acceptor_Count	2
70684312	Total_Formal_Charge	0
129791	Hydrogen_Bond_Acceptor_Count	5
1176	Undefined_Bond_Stereo_Count	0
577126	TPSA	17.1
137224318	Hydrogen_Bond_Acceptor_Count	6
71335	Structure_Complexity	679
136070	Undefined_Bond_Stereo_Count	0
17506	Non-hydrogen_Atom_Count	17
14511497	Non-hydrogen_Atom_Count	8
12118	Molecular_Weight	191.27
5899068	Non-hydrogen_Atom_Count	20
75057	Isotope_Atom_Count	0
56675696	Exact_Mass	422.12127520
12219458	Undefined_Bond_Stereo_Count	0
142243302	Non-hydrogen_Atom_Count	7
10723	Total_Formal_Charge	0
8020	Structure_Complexity	12.4
9826520	Undefined_Bond_Stereo_Count	0
57473011	XLogP3-AA	3.4
76956224	Molecular_Weight	449.5
88142236	Total_Formal_Charge	0
15480320	Mono_Isotopic_Weight	257.99075
22500965	Undefined_Bond_Stereo_Count	0
5282403	Molecular_Weight	405.5
5460495	Structure_Complexity	90.4
3034287	Mono_Isotopic_Weight	270.0883534
945	Defined_Atom_Stereo_Count	0
14493	Defined_Atom_Stereo_Count	0
23506294	Undefined_Atom_Stereo_Count	1
413538	Isotope_Atom_Count	0
57328467	Covalent_Unit_Count	1
17779	Total_Formal_Charge	0
87215	Defined_Atom_Stereo_Count	0
19587	Tautomer_Count	2
22082539	Hydrogen_Bond_Donor_Count	0
1878	TPSA	61.8
49799987	Covalent_Unit_Count	2
5364711	XLogP3-AA	6.9
658645	Defined_Atom_Stereo_Count	0
39418872	Hydrogen_Bond_Donor_Count	2
165611944	Structure_Complexity	111
36688209	Hydrogen_Bond_Acceptor_Count	4
4797	Isotope_Atom_Count	0
58604354	Undefined_Bond_Stereo_Count	0
20826383	Undefined_Bond_Stereo_Count	0
129638548	Total_Formal_Charge	0
9416	Total_Formal_Charge	0
90488724	Mono_Isotopic_Weight	1671.90967533
73086	Non-hydrogen_Atom_Count	11
70520512	Non-hydrogen_Atom_Count	8
39784	Isotope_Atom_Count	0
267571	Rotatable_Bond_Count	2
1766	Defined_Bond_Stereo_Count	0
25168854	Mono_Isotopic_Weight	253.02146
61591	Isotope_Atom_Count	0
6921705	Hydrogen_Bond_Donor_Count	4
2073	Structure_Complexity	570
15830	Isotope_Atom_Count	0
652	Tautomer_Count	1
7263	Undefined_Atom_Stereo_Count	0
44400351	Structure_Complexity	410
31348	Hydrogen_Bond_Acceptor_Count	7
58640	Hydrogen_Bond_Acceptor_Count	5
9904	Undefined_Bond_Stereo_Count	0
74141	Structure_Complexity	114
20697439	Structure_Complexity	88.5
688492	Hydrogen_Bond_Donor_Count	1
3082052	Structure_Complexity	242
703128	Isotope_Atom_Count	0
92162	Non-hydrogen_Atom_Count	5
4168142	Hydrogen_Bond_Acceptor_Count	14
16217215	Isotope_Atom_Count	0
58247512	Covalent_Unit_Count	1
24892761	Rotatable_Bond_Count	7
7225	Undefined_Atom_Stereo_Count	0
138851	Mono_Isotopic_Weight	114.042927438
97524	Structure_Complexity	266
53833568	Covalent_Unit_Count	1
11957491	Mono_Isotopic_Weight	598.00994696
13000143	Non-hydrogen_Atom_Count	6
6461	TPSA	46.5
93250	Structure_Complexity	539
5491647	Exact_Mass	269.10519334
431	Defined_Bond_Stereo_Count	0
107947	Total_Formal_Charge	0
35020890	Molecular_Weight	334.4
202792	TPSA	57.1
638019	Undefined_Atom_Stereo_Count	0
50516	Non-hydrogen_Atom_Count	35
616573	Hydrogen_Bond_Donor_Count	1
16051586	Hydrogen_Bond_Donor_Count	2
2734180	Hydrogen_Bond_Acceptor_Count	5
60196327	Covalent_Unit_Count	2
17407	Hydrogen_Bond_Acceptor_Count	3
138971	Hydrogen_Bond_Acceptor_Count	0
65682	Total_Formal_Charge	0
19756	Mono_Isotopic_Weight	184.063662883
75057	Total_Formal_Charge	1
16312	Hydrogen_Bond_Donor_Count	0
261591	Undefined_Bond_Stereo_Count	0
6385	Covalent_Unit_Count	1
19754146	Undefined_Bond_Stereo_Count	0
13302066	TPSA	40.5
46570	Covalent_Unit_Count	1
6862	Exact_Mass	186.068079557
75357	Hydrogen_Bond_Acceptor_Count	4
9884820	Rotatable_Bond_Count	3
9950094	Hydrogen_Bond_Donor_Count	1
49652	Structure_Complexity	564
80466	Covalent_Unit_Count	1
75530159	Defined_Atom_Stereo_Count	0
55291579	Rotatable_Bond_Count	1
46173706	Defined_Bond_Stereo_Count	0
2762892	Defined_Bond_Stereo_Count	0
71107	Exact_Mass	426.12494298
129737769	Defined_Bond_Stereo_Count	0
15184917	Hydrogen_Bond_Donor_Count	1
10979337	Structure_Complexity	345
6346	TPSA	0
12102501	Defined_Atom_Stereo_Count	0
15580	Exact_Mass	276.0319997
720471	Total_Formal_Charge	0
89076189	Non-hydrogen_Atom_Count	8
6971042	Covalent_Unit_Count	1
21357280	Covalent_Unit_Count	1
138107778	TPSA	279
225674	Hydrogen_Bond_Donor_Count	1
57999543	Exact_Mass	100.100048391
140349	Total_Formal_Charge	0
5475462	Isotope_Atom_Count	0
6627	Undefined_Atom_Stereo_Count	0
118499237	TPSA	43.4
5487313	Undefined_Bond_Stereo_Count	0
52941509	TPSA	42.4
30843	Non-hydrogen_Atom_Count	27
24096961	Defined_Bond_Stereo_Count	0
13511345	Hydrogen_Bond_Donor_Count	0
60196413	Structure_Complexity	552
159968	Defined_Atom_Stereo_Count	0
2758873	TPSA	8.8
5288595	Defined_Atom_Stereo_Count	0
28003	Defined_Bond_Stereo_Count	0
287442	TPSA	148
27236	Covalent_Unit_Count	1
71309503	Hydrogen_Bond_Acceptor_Count	6
60155100	Hydrogen_Bond_Acceptor_Count	7
5986	Hydrogen_Bond_Donor_Count	1
39688	Isotope_Atom_Count	0
24825264	Total_Formal_Charge	0
5364495	TPSA	17.1
4025	Undefined_Bond_Stereo_Count	0
60202105	Molecular_Weight	461.5
71412	Undefined_Bond_Stereo_Count	0
56846609	Non-hydrogen_Atom_Count	20
447297	Structure_Complexity	477
7883	Rotatable_Bond_Count	2
6440352	Non-hydrogen_Atom_Count	43
55595	Exact_Mass	324.12090297
529272	Non-hydrogen_Atom_Count	8
299801	XLogP3-AA	0.5
16033	Hydrogen_Bond_Acceptor_Count	2
92032367	Defined_Bond_Stereo_Count	1
66931399	Defined_Bond_Stereo_Count	0
11185	Defined_Atom_Stereo_Count	0
101815861	Defined_Atom_Stereo_Count	0
8122	Rotatable_Bond_Count	18
7358	TPSA	20.2
21947198	Molecular_Weight	195.15
21202	Undefined_Atom_Stereo_Count	0
7306	Defined_Bond_Stereo_Count	0
5282387	Undefined_Bond_Stereo_Count	0
17179	Hydrogen_Bond_Acceptor_Count	3
17355	Structure_Complexity	123
118701718	TPSA	46.5
5310979	Undefined_Bond_Stereo_Count	0
10078175	Hydrogen_Bond_Donor_Count	8
251910	Hydrogen_Bond_Acceptor_Count	4
5354264	Total_Formal_Charge	0
42509	Isotope_Atom_Count	0
90730816	Covalent_Unit_Count	1
90449	Total_Formal_Charge	0
6367080	Exact_Mass	406.14366705
77456	Rotatable_Bond_Count	0
3461	TPSA	108
33094	Covalent_Unit_Count	1
6957644	Hydrogen_Bond_Acceptor_Count	6
3011721	Undefined_Bond_Stereo_Count	0
36382	Total_Formal_Charge	0
129866430	Hydrogen_Bond_Acceptor_Count	0
10518	Defined_Bond_Stereo_Count	0
135449281	Undefined_Atom_Stereo_Count	0
155008	Tautomer_Count	809
13243	Undefined_Atom_Stereo_Count	0
131968259	Rotatable_Bond_Count	3
22924775	TPSA	80.3
494085	Isotope_Atom_Count	0
68847	Rotatable_Bond_Count	5
123650722	Defined_Atom_Stereo_Count	12
4100	Defined_Bond_Stereo_Count	0
16749605	Total_Formal_Charge	0
87703	Total_Formal_Charge	0
3571519	Structure_Complexity	166
44563116	Mono_Isotopic_Weight	419.24335857
145712264	Non-hydrogen_Atom_Count	59
547400	TPSA	12.5
5280483	Tautomer_Count	27
8241	Defined_Bond_Stereo_Count	0
126830	TPSA	46.5
173685	Defined_Bond_Stereo_Count	0
23635364	Total_Formal_Charge	0
94034	Total_Formal_Charge	0
474523	Total_Formal_Charge	0
118771	Mono_Isotopic_Weight	265.18216827
57031203	XLogP3-AA	0.2
9829523	Defined_Atom_Stereo_Count	4
32350	Undefined_Atom_Stereo_Count	0
11953808	Total_Formal_Charge	0
12118	Mono_Isotopic_Weight	191.131014166
163921573	Isotope_Atom_Count	0
53626	Exact_Mass	292.157563266
45791267	Exact_Mass	134.059246208
24838350	Undefined_Atom_Stereo_Count	1
92151	Defined_Atom_Stereo_Count	0
16158473	Isotope_Atom_Count	0
101661938	Exact_Mass	662.10129752
71140	Exact_Mass	256.10341969
46937085	Isotope_Atom_Count	0
850502	Structure_Complexity	340
155259577	Isotope_Atom_Count	0
33263	Rotatable_Bond_Count	5
67387401	Rotatable_Bond_Count	0
6324604	Molecular_Weight	458.0
544380	Rotatable_Bond_Count	1
79441	Covalent_Unit_Count	1
475319	Defined_Atom_Stereo_Count	2
12536	Undefined_Atom_Stereo_Count	4
398652	Exact_Mass	429.16885622
415	Mono_Isotopic_Weight	192.089877630
6955724	Structure_Complexity	402
139759	Structure_Complexity	0
6922967	Mono_Isotopic_Weight	166.123189134
91148	Undefined_Atom_Stereo_Count	2
15679	Exact_Mass	288.04160728
27622	Non-hydrogen_Atom_Count	11
7693	Isotope_Atom_Count	0
77794	Undefined_Atom_Stereo_Count	0
84682	Structure_Complexity	19.6
5483631	Hydrogen_Bond_Acceptor_Count	2
57557625	Defined_Bond_Stereo_Count	5
95809	Molecular_Weight	403.7
448545	Defined_Bond_Stereo_Count	0
165675	Undefined_Atom_Stereo_Count	0
135423375	Hydrogen_Bond_Donor_Count	4
16155603	Structure_Complexity	4430
8413	Hydrogen_Bond_Acceptor_Count	2
25207583	Defined_Atom_Stereo_Count	0
4043	Structure_Complexity	650
54266316	Non-hydrogen_Atom_Count	6
21786	Undefined_Bond_Stereo_Count	0
11947765	Isotope_Atom_Count	0
86656004	Hydrogen_Bond_Acceptor_Count	3
140951	Undefined_Atom_Stereo_Count	0
23685849	Mono_Isotopic_Weight	212.06606779
50009	Molecular_Weight	334.15
51039030	Tautomer_Count	6
65679	TPSA	105
10039700	XLogP3-AA	0.8
198382	Total_Formal_Charge	0
10197612	Covalent_Unit_Count	1
63016	Rotatable_Bond_Count	4
9881504	Non-hydrogen_Atom_Count	19
6488	Tautomer_Count	5
84063983	Hydrogen_Bond_Acceptor_Count	2
61249	Undefined_Atom_Stereo_Count	1
3512	Structure_Complexity	575
11032	Undefined_Atom_Stereo_Count	0
54751657	Total_Formal_Charge	0
64722979	Isotope_Atom_Count	0
53316418	Hydrogen_Bond_Acceptor_Count	11
12271346	XLogP3-AA	1.3
10239891	Isotope_Atom_Count	0
91235442	Rotatable_Bond_Count	0
4410	Hydrogen_Bond_Acceptor_Count	7
96338	TPSA	29.1
39272	Undefined_Bond_Stereo_Count	0
45484184	Defined_Atom_Stereo_Count	0
444863	Tautomer_Count	1
55284853	Structure_Complexity	88.2
24955	Tautomer_Count	3
84589	Undefined_Bond_Stereo_Count	0
144147883	Hydrogen_Bond_Donor_Count	1
440560	Rotatable_Bond_Count	5
53359023	Undefined_Atom_Stereo_Count	0
60096125	Defined_Atom_Stereo_Count	0
8132	Hydrogen_Bond_Donor_Count	2
2593	Mono_Isotopic_Weight	615.29630113
45157475	Mono_Isotopic_Weight	585.24777486
290	Hydrogen_Bond_Donor_Count	6
54544621	Rotatable_Bond_Count	2
20323899	Defined_Atom_Stereo_Count	0
6652	Hydrogen_Bond_Donor_Count	0
20714804	TPSA	26.3
57750418	Defined_Atom_Stereo_Count	0
2976	Non-hydrogen_Atom_Count	33
144021791	Rotatable_Bond_Count	1
31368	Structure_Complexity	83.1
627867	Molecular_Weight	306.4
593843	Hydrogen_Bond_Acceptor_Count	3
20034086	Undefined_Bond_Stereo_Count	0
162681	Exact_Mass	248.11494430
7943	Defined_Bond_Stereo_Count	0
303	Non-hydrogen_Atom_Count	29
10727124	Undefined_Bond_Stereo_Count	0
5287855	Defined_Bond_Stereo_Count	1
824	Defined_Atom_Stereo_Count	0
1548887	XLogP3	3.4
141130780	Structure_Complexity	74.5
9915886	Rotatable_Bond_Count	7
5364509	Non-hydrogen_Atom_Count	21
542317	Rotatable_Bond_Count	5
53315103	Undefined_Bond_Stereo_Count	0
5702073	Non-hydrogen_Atom_Count	25
21331	Undefined_Atom_Stereo_Count	0
77603	Hydrogen_Bond_Acceptor_Count	2
89292361	Rotatable_Bond_Count	2
46936900	Mono_Isotopic_Weight	485.27536898
14939066	Isotope_Atom_Count	0
107196	Defined_Bond_Stereo_Count	0
18358	Defined_Atom_Stereo_Count	0
115366	Mono_Isotopic_Weight	419.0264073
4496	Structure_Complexity	480
135398658	Hydrogen_Bond_Acceptor_Count	10
20060494	Non-hydrogen_Atom_Count	7
24776154	Undefined_Atom_Stereo_Count	1
69365	Undefined_Bond_Stereo_Count	0
3916406	Covalent_Unit_Count	1
23158380	Defined_Atom_Stereo_Count	0
70686822	TPSA	127
53762327	Non-hydrogen_Atom_Count	9
17163	XLogP3-AA	5.4
9832136	Undefined_Atom_Stereo_Count	0
74441105	Isotope_Atom_Count	0
8041	Defined_Atom_Stereo_Count	0
51030984	XLogP3-AA	2
22313123	Structure_Complexity	297
114709	Isotope_Atom_Count	0
45794	Defined_Bond_Stereo_Count	0
3891	Total_Formal_Charge	0
76464	Mono_Isotopic_Weight	226.07588133
69968	Rotatable_Bond_Count	18
79161	Undefined_Atom_Stereo_Count	0
67488	Defined_Bond_Stereo_Count	0
95456	Covalent_Unit_Count	1
17807258	Molecular_Weight	113.08
133082588	Hydrogen_Bond_Donor_Count	2
96257	Hydrogen_Bond_Acceptor_Count	6
4843	Non-hydrogen_Atom_Count	10
11268547	XLogP3-AA	3.4
88948	Hydrogen_Bond_Acceptor_Count	4
9548637	Molecular_Weight	406.5
18178	Hydrogen_Bond_Acceptor_Count	0
101582408	Molecular_Weight	531.6
162990682	Exact_Mass	665.30474055
749	Mono_Isotopic_Weight	434.23113938
43594	Defined_Atom_Stereo_Count	3
91536	Covalent_Unit_Count	1
3413668	Mono_Isotopic_Weight	270.161979940
106228050	Total_Formal_Charge	0
11692123	Hydrogen_Bond_Acceptor_Count	8
869	Defined_Bond_Stereo_Count	0
119904	Exact_Mass	231.851285
71441408	Total_Formal_Charge	0
45358975	TPSA	7.8
66604	Mono_Isotopic_Weight	207.9330139
12933341	Undefined_Atom_Stereo_Count	0
5284462	TPSA	44.8
151245	TPSA	38.3
68737	Covalent_Unit_Count	3
5003	Undefined_Atom_Stereo_Count	0
6637	Covalent_Unit_Count	1
3086674	Undefined_Bond_Stereo_Count	0
16131448	Isotope_Atom_Count	0
54686350	Isotope_Atom_Count	0
2741000	Covalent_Unit_Count	1
101859897	Hydrogen_Bond_Donor_Count	3
565391	Undefined_Bond_Stereo_Count	0
15038	Isotope_Atom_Count	0
2135	XLogP3-AA	1.5
1217	Undefined_Bond_Stereo_Count	0
135564558	Isotope_Atom_Count	0
6321340	Non-hydrogen_Atom_Count	61
14643175	Undefined_Atom_Stereo_Count	1
38876	Tautomer_Count	1
26334	Isotope_Atom_Count	0
67248272	TPSA	46.2
701186	Defined_Atom_Stereo_Count	1
1120	Defined_Bond_Stereo_Count	0
102232	TPSA	78.9
3614	Non-hydrogen_Atom_Count	9
445375	Non-hydrogen_Atom_Count	9
573592	Non-hydrogen_Atom_Count	8
15569631	Undefined_Atom_Stereo_Count	0
129758641	Covalent_Unit_Count	2
91899080	Isotope_Atom_Count	0
216385	Structure_Complexity	467
45	Undefined_Atom_Stereo_Count	0
131731052	Isotope_Atom_Count	0
15008962	Molecular_Weight	405.4
182677	Exact_Mass	278.297351212
68675439	Hydrogen_Bond_Donor_Count	1
11829	Covalent_Unit_Count	1
66982	Molecular_Weight	190.71
3038	TPSA	137
124005380	Mono_Isotopic_Weight	110.109550447
15774823	Hydrogen_Bond_Donor_Count	0
16131448	Mono_Isotopic_Weight	1807.98054885
23663409	Structure_Complexity	372
6604087	Non-hydrogen_Atom_Count	37
3230	Defined_Bond_Stereo_Count	0
24257	Structure_Complexity	163
20221840	TPSA	67.8
4829	Defined_Bond_Stereo_Count	0
69301022	Isotope_Atom_Count	0
2723716	Defined_Bond_Stereo_Count	0
90927	Isotope_Atom_Count	0
11194160	XLogP3-AA	7.5
30209	Total_Formal_Charge	0
942	Isotope_Atom_Count	0
389585	Hydrogen_Bond_Acceptor_Count	6
126961192	Exact_Mass	678.07845408
114948	Mono_Isotopic_Weight	577.32641949
15156556	Undefined_Atom_Stereo_Count	0
677	Structure_Complexity	118
134551	Defined_Bond_Stereo_Count	0
119095542	Hydrogen_Bond_Donor_Count	2
11507	XLogP3-AA	3.7
2042	Isotope_Atom_Count	0
11147714	Hydrogen_Bond_Donor_Count	0
14781907	Molecular_Weight	101.15
54572303	Exact_Mass	112.03851076
8401	Defined_Bond_Stereo_Count	0
38879	Non-hydrogen_Atom_Count	16
9387	TPSA	0
17522	TPSA	83.6
81255	Structure_Complexity	229
11534927	Covalent_Unit_Count	1
70544	TPSA	15.3
153963013	Hydrogen_Bond_Acceptor_Count	4
76216	Rotatable_Bond_Count	3
13424661	Hydrogen_Bond_Acceptor_Count	8
9800555	Isotope_Atom_Count	0
10975431	Structure_Complexity	166
20431	Undefined_Atom_Stereo_Count	0
83669972	Rotatable_Bond_Count	0
9953630	Hydrogen_Bond_Acceptor_Count	9
179697	Tautomer_Count	4
9832301	Undefined_Atom_Stereo_Count	0
91667835	Molecular_Weight	415.6
730093	Hydrogen_Bond_Donor_Count	2
119097554	Structure_Complexity	80.2
12304109	Undefined_Atom_Stereo_Count	0
143723227	Defined_Bond_Stereo_Count	0
11431811	Total_Formal_Charge	0
148573599	Molecular_Weight	106.16
54675842	Defined_Bond_Stereo_Count	0
227244	Tautomer_Count	1
71719561	Defined_Atom_Stereo_Count	0
41574	TPSA	69.6
447	Covalent_Unit_Count	1
123047	Total_Formal_Charge	0
74015886	Structure_Complexity	483
4839	Rotatable_Bond_Count	6
129737769	Total_Formal_Charge	0
146779553	Mono_Isotopic_Weight	108.093900383
824336	Exact_Mass	348.0335411
16052015	Undefined_Bond_Stereo_Count	0
3525005	TPSA	38.8
44458746	Isotope_Atom_Count	0
13362585	Covalent_Unit_Count	1
49831411	Isotope_Atom_Count	0
356896	Undefined_Atom_Stereo_Count	0
45256107	Exact_Mass	360.12224039
19736925	Total_Formal_Charge	0
53389	Hydrogen_Bond_Acceptor_Count	2
130845868	Covalent_Unit_Count	1
11496886	Molecular_Weight	493.24
18608	Molecular_Weight	208.26
5281912	Non-hydrogen_Atom_Count	24
151205	Hydrogen_Bond_Donor_Count	2
92395	TPSA	119
20435	Defined_Atom_Stereo_Count	3
11471380	Defined_Bond_Stereo_Count	0
83971	Mono_Isotopic_Weight	892.47801345
61896	Undefined_Atom_Stereo_Count	0
638081	Structure_Complexity	121
4683	Defined_Atom_Stereo_Count	0
2724277	Non-hydrogen_Atom_Count	14
29801	Hydrogen_Bond_Acceptor_Count	3
21691039	Molecular_Weight	101.10
1434	Isotope_Atom_Count	0
12480891	Non-hydrogen_Atom_Count	7
5282947	Defined_Atom_Stereo_Count	0
76476	Mono_Isotopic_Weight	255.12907007
71107	Defined_Bond_Stereo_Count	0
8685	Rotatable_Bond_Count	6
12754038	Structure_Complexity	111
35459	Non-hydrogen_Atom_Count	12
5283344	Covalent_Unit_Count	1
16212247	Rotatable_Bond_Count	0
520660	Covalent_Unit_Count	1
56949747	Defined_Atom_Stereo_Count	4
15633846	Undefined_Bond_Stereo_Count	0
9793723	Isotope_Atom_Count	0
14296	Hydrogen_Bond_Donor_Count	0
44135708	Mono_Isotopic_Weight	190.02420298
118689592	Exact_Mass	665.30474055
89926	Defined_Atom_Stereo_Count	0
12634653	Total_Formal_Charge	0
140765	Structure_Complexity	93.7
144381	Defined_Bond_Stereo_Count	0
12855	Undefined_Atom_Stereo_Count	0
72302	Total_Formal_Charge	0
4690	XLogP3-AA	2.7
3973230	Hydrogen_Bond_Acceptor_Count	2
6427080	Undefined_Atom_Stereo_Count	0
45791267	Hydrogen_Bond_Acceptor_Count	3
8527	Defined_Bond_Stereo_Count	0
10343454	Non-hydrogen_Atom_Count	30
44338843	TPSA	151
84945	Hydrogen_Bond_Donor_Count	0
33728341	Non-hydrogen_Atom_Count	8
10215	Undefined_Atom_Stereo_Count	0
123604326	Hydrogen_Bond_Acceptor_Count	1
23599753	Non-hydrogen_Atom_Count	7
18002315	Structure_Complexity	113
131632024	XLogP3-AA	2.3
154104	Structure_Complexity	499
230976	Hydrogen_Bond_Acceptor_Count	5
102059952	Undefined_Atom_Stereo_Count	0
137843	Hydrogen_Bond_Acceptor_Count	0
177700	Rotatable_Bond_Count	0
21124737	Non-hydrogen_Atom_Count	27
4092	Structure_Complexity	138
20725561	Molecular_Weight	401.5
250074	Molecular_Weight	166.17
67535	Defined_Bond_Stereo_Count	0
73154880	Undefined_Bond_Stereo_Count	0
21389	Mono_Isotopic_Weight	348.16985928
69021	Non-hydrogen_Atom_Count	5
132451761	Non-hydrogen_Atom_Count	293
77191	Covalent_Unit_Count	1
13586830	Undefined_Atom_Stereo_Count	0
23690938	Molecular_Weight	353.3
23505018	Defined_Bond_Stereo_Count	0
23725019	Hydrogen_Bond_Acceptor_Count	4
9894291	Isotope_Atom_Count	0
98043899	Undefined_Bond_Stereo_Count	0
10434	Covalent_Unit_Count	1
12259685	Rotatable_Bond_Count	2
49243	TPSA	101
52949373	Hydrogen_Bond_Acceptor_Count	8
44348	Covalent_Unit_Count	1
11062343	Isotope_Atom_Count	0
117969398	Isotope_Atom_Count	0
15575619	Undefined_Bond_Stereo_Count	0
199605	Mono_Isotopic_Weight	187.136099547
53861228	TPSA	9.2
144513	Isotope_Atom_Count	0
3264	Total_Formal_Charge	0
11372270	Rotatable_Bond_Count	5
6741	Undefined_Atom_Stereo_Count	0
123424	Isotope_Atom_Count	0
442070	Non-hydrogen_Atom_Count	26
165615710	Exact_Mass	112.088815002
13233	TPSA	75.9
13019068	Mono_Isotopic_Weight	416.32904526
3045381	TPSA	60.5
68135	Total_Formal_Charge	0
23103366	Undefined_Bond_Stereo_Count	0
521348	Structure_Complexity	47.8
6918188	Rotatable_Bond_Count	9
443154	Structure_Complexity	1190
71381729	Total_Formal_Charge	0
44462985	Hydrogen_Bond_Acceptor_Count	0
4622	XLogP3	2.4
11768605	Undefined_Bond_Stereo_Count	0
31261	Non-hydrogen_Atom_Count	7
65410	Undefined_Bond_Stereo_Count	0
91981561	Molecular_Weight	481.9
44349142	Hydrogen_Bond_Donor_Count	2
24550	Defined_Atom_Stereo_Count	0
88212048	Covalent_Unit_Count	1
21999609	Total_Formal_Charge	0
2119	Molecular_Weight	249.35
3926	Defined_Atom_Stereo_Count	0
4641	Non-hydrogen_Atom_Count	24
38771	Defined_Atom_Stereo_Count	0
193720	Defined_Atom_Stereo_Count	0
68012	Non-hydrogen_Atom_Count	14
5281224	Defined_Bond_Stereo_Count	9
4797519	Undefined_Atom_Stereo_Count	1
27979	Hydrogen_Bond_Acceptor_Count	2
135398599	Isotope_Atom_Count	0
67849	Hydrogen_Bond_Donor_Count	0
133134	Undefined_Bond_Stereo_Count	0
5282229	Defined_Bond_Stereo_Count	2
160565	Covalent_Unit_Count	1
27436	Isotope_Atom_Count	0
118218024	Undefined_Bond_Stereo_Count	0
69785	Mono_Isotopic_Weight	498.9534782
27582	XLogP3	3.5
447029	Rotatable_Bond_Count	2
8510	Non-hydrogen_Atom_Count	20
62816	Defined_Bond_Stereo_Count	0
6445230	Non-hydrogen_Atom_Count	35
126280	Undefined_Atom_Stereo_Count	0
137554722	Undefined_Bond_Stereo_Count	0
57066209	Molecular_Weight	112.13
89738255	Molecular_Weight	103.12
4205685	Defined_Atom_Stereo_Count	0
4752	Rotatable_Bond_Count	4
15004706	Hydrogen_Bond_Donor_Count	2
560	Structure_Complexity	177
124635203	Isotope_Atom_Count	0
135921797	Hydrogen_Bond_Donor_Count	7
4194	Mono_Isotopic_Weight	883.45654973
2950	Defined_Atom_Stereo_Count	0
3527720	Exact_Mass	228.14739250
594	Covalent_Unit_Count	1
3400	Undefined_Atom_Stereo_Count	0
87931798	Rotatable_Bond_Count	2
27868	Hydrogen_Bond_Acceptor_Count	2
32068	XLogP3	3.3
60196271	Covalent_Unit_Count	5
85999939	Undefined_Bond_Stereo_Count	0
657181	Defined_Bond_Stereo_Count	0
21930812	TPSA	50.1
55291579	Exact_Mass	113.058911855
10077129	Defined_Bond_Stereo_Count	1
12210218	Total_Formal_Charge	0
15139	Defined_Atom_Stereo_Count	0
10334	Mono_Isotopic_Weight	156.00674260
107744	Defined_Bond_Stereo_Count	0
87892	Rotatable_Bond_Count	16
6641	Undefined_Atom_Stereo_Count	0
85551668	Defined_Atom_Stereo_Count	0
57392965	Structure_Complexity	877
53708136	Defined_Atom_Stereo_Count	0
227260	Structure_Complexity	299
1753	Defined_Atom_Stereo_Count	0
69453791	Defined_Bond_Stereo_Count	0
6388	Non-hydrogen_Atom_Count	5
26979	Mono_Isotopic_Weight	85.97330797
12643154	Undefined_Bond_Stereo_Count	0
70723	Isotope_Atom_Count	0
145819	TPSA	55.7
518455	Structure_Complexity	64.7
140172	Mono_Isotopic_Weight	96.032362755
7364	XLogP3	1
21115778	Isotope_Atom_Count	0
77050446	TPSA	32.6
71361084	Hydrogen_Bond_Donor_Count	1
10788	Hydrogen_Bond_Acceptor_Count	3
19864017	Hydrogen_Bond_Acceptor_Count	5
42613186	Structure_Complexity	873
409474	Defined_Atom_Stereo_Count	0
12246933	Rotatable_Bond_Count	2
12362	Defined_Bond_Stereo_Count	0
131954782	Mono_Isotopic_Weight	1348.60159125
92781	Total_Formal_Charge	0
62210	Undefined_Bond_Stereo_Count	0
155346	Hydrogen_Bond_Donor_Count	3
156519226	Molecular_Weight	110.15
53631439	Hydrogen_Bond_Acceptor_Count	2
643981	Isotope_Atom_Count	0
13279677	Undefined_Atom_Stereo_Count	0
154701779	Isotope_Atom_Count	0
716315	Structure_Complexity	187
17321	Total_Formal_Charge	0
9821547	TPSA	77.4
575734	Undefined_Atom_Stereo_Count	0
54980	Tautomer_Count	2
71106	TPSA	74.6
4224596	XLogP3	2.3
75919	Molecular_Weight	122.17
5857	Undefined_Bond_Stereo_Count	0
22206	Hydrogen_Bond_Donor_Count	2
23703990	Undefined_Bond_Stereo_Count	0
450772	Hydrogen_Bond_Acceptor_Count	5
533909	Undefined_Atom_Stereo_Count	0
73386890	Total_Formal_Charge	0
33751	Total_Formal_Charge	0
643835	Structure_Complexity	35.3
164886662	Rotatable_Bond_Count	4
11389	Covalent_Unit_Count	1
89803	Isotope_Atom_Count	0
44629805	Covalent_Unit_Count	2
31863	Total_Formal_Charge	0
57397762	Hydrogen_Bond_Acceptor_Count	5
76960246	Defined_Atom_Stereo_Count	9
71112644	Undefined_Bond_Stereo_Count	0
5289085	Undefined_Atom_Stereo_Count	0
123835510	Undefined_Atom_Stereo_Count	3
4498	Hydrogen_Bond_Donor_Count	2
5282045	Isotope_Atom_Count	0
10415	Rotatable_Bond_Count	5
23675341	Hydrogen_Bond_Donor_Count	2
57393918	Rotatable_Bond_Count	4
3082781	Rotatable_Bond_Count	3
44560772	XLogP3-AA	1.5
17827145	TPSA	24.4
42350	Rotatable_Bond_Count	3
75274	Rotatable_Bond_Count	6
52943923	Non-hydrogen_Atom_Count	24
143007	Defined_Bond_Stereo_Count	0
42337	Isotope_Atom_Count	0
8863	Isotope_Atom_Count	0
70143	Isotope_Atom_Count	0
216208	Total_Formal_Charge	0
79856	Exact_Mass	166.062994177
6956382	Hydrogen_Bond_Donor_Count	0
57829	XLogP3-AA	3.1
21049457	Undefined_Atom_Stereo_Count	0
70815	Structure_Complexity	239
11358077	Tautomer_Count	1
5280961	Mono_Isotopic_Weight	270.05282342
12519677	Hydrogen_Bond_Donor_Count	2
14274724	Undefined_Bond_Stereo_Count	0
68486699	Undefined_Bond_Stereo_Count	0
5311217	Hydrogen_Bond_Donor_Count	1
10331863	XLogP3-AA	3.1
23262897	Rotatable_Bond_Count	1
45199	Hydrogen_Bond_Acceptor_Count	5
4974205	Defined_Atom_Stereo_Count	0
20387201	Defined_Atom_Stereo_Count	0
84715993	TPSA	49.8
11502243	Structure_Complexity	552
79882	TPSA	26
70276990	Undefined_Atom_Stereo_Count	0
5293	Non-hydrogen_Atom_Count	37
6815	Molecular_Weight	382.6
16129632	Defined_Bond_Stereo_Count	0
12968	Molecular_Weight	189.32
216456	Undefined_Bond_Stereo_Count	0
5288596	Total_Formal_Charge	0
129672477	Exact_Mass	518.945874
45278337	Mono_Isotopic_Weight	421.28983728
79960033	Undefined_Atom_Stereo_Count	1
48384	Hydrogen_Bond_Donor_Count	1
44267026	Rotatable_Bond_Count	4
37993	Tautomer_Count	1
12814872	Defined_Atom_Stereo_Count	7
6337677	Exact_Mass	330.99455
94268	Mono_Isotopic_Weight	98.073164938
7506	Tautomer_Count	1
85057	Molecular_Weight	452.4
40987	Hydrogen_Bond_Donor_Count	3
72941442	Undefined_Bond_Stereo_Count	0
5372879	TPSA	55
222536	TPSA	52.6
10582477	Mono_Isotopic_Weight	223.063328530
9190	Isotope_Atom_Count	0
9759	Covalent_Unit_Count	1
55278707	Mono_Isotopic_Weight	98.048012819
20190614	Non-hydrogen_Atom_Count	7
13694815	Structure_Complexity	96.4
3739682	TPSA	83.4
667657	Defined_Bond_Stereo_Count	0
56659844	Total_Formal_Charge	0
2734250	Structure_Complexity	259
163792693	Undefined_Bond_Stereo_Count	0
28102	Isotope_Atom_Count	0
44458766	Hydrogen_Bond_Donor_Count	4
54567078	Undefined_Bond_Stereo_Count	0
24916869	Molecular_Weight	678.6
15969	Tautomer_Count	2
18196	Defined_Bond_Stereo_Count	0
23317073	Rotatable_Bond_Count	1
5312122	XLogP3-AA	4.5
57493771	Structure_Complexity	275
6114	Molecular_Weight	195.69
39860	Mono_Isotopic_Weight	372.26644501
8233	Molecular_Weight	733.9
39185	Hydrogen_Bond_Donor_Count	0
137719	Defined_Bond_Stereo_Count	0
39676	Structure_Complexity	391
9949648	Defined_Atom_Stereo_Count	1
44280082	TPSA	71.5
58488970	Rotatable_Bond_Count	0
6951525	Defined_Bond_Stereo_Count	0
91623917	Defined_Atom_Stereo_Count	0
12933341	Isotope_Atom_Count	0
139292146	Total_Formal_Charge	0
15129466	Non-hydrogen_Atom_Count	8
12271349	TPSA	12.5
20485906	Non-hydrogen_Atom_Count	7
131954767	Total_Formal_Charge	1
6438877	Structure_Complexity	520
441853	Undefined_Atom_Stereo_Count	0
5280633	Covalent_Unit_Count	1
59704271	Mono_Isotopic_Weight	1201.84136802
12008703	Undefined_Atom_Stereo_Count	0
12101	Defined_Bond_Stereo_Count	0
44925	Exact_Mass	341.1995809
4874	Hydrogen_Bond_Donor_Count	2
290670	Mono_Isotopic_Weight	364.18858861
97523	Hydrogen_Bond_Donor_Count	3
29761	Molecular_Weight	329.4
125556	Tautomer_Count	4
167180	Undefined_Bond_Stereo_Count	0
70440	Covalent_Unit_Count	1
123254	Undefined_Atom_Stereo_Count	0
3651	Non-hydrogen_Atom_Count	11
87714328	Undefined_Atom_Stereo_Count	1
12298	Undefined_Atom_Stereo_Count	0
125183304	Hydrogen_Bond_Acceptor_Count	17
68870	TPSA	95.1
139629011	Rotatable_Bond_Count	2
60575	Hydrogen_Bond_Donor_Count	0
150748	Undefined_Atom_Stereo_Count	2
135084	Tautomer_Count	18
137490	XLogP3-AA	2.7
88462	Mono_Isotopic_Weight	230.11676108
7283	XLogP3-AA	1
853433	Isotope_Atom_Count	0
164563	Undefined_Atom_Stereo_Count	0
9912381	Covalent_Unit_Count	1
41733	Undefined_Atom_Stereo_Count	1
12578534	TPSA	33
129694466	Undefined_Bond_Stereo_Count	0
57190813	Isotope_Atom_Count	0
11274356	Isotope_Atom_Count	0
11985	Hydrogen_Bond_Donor_Count	2
10297818	Structure_Complexity	552
4619	Tautomer_Count	1
57438703	Molecular_Weight	116.04
4744464	Isotope_Atom_Count	0
12539503	TPSA	0
11974019	Defined_Bond_Stereo_Count	0
86739056	Covalent_Unit_Count	1
97638	Exact_Mass	152.083729621
8176	Undefined_Atom_Stereo_Count	0
133679779	Non-hydrogen_Atom_Count	8
5280644	Undefined_Bond_Stereo_Count	0
22645860	Non-hydrogen_Atom_Count	7
80472	Undefined_Atom_Stereo_Count	0
13664	Covalent_Unit_Count	1
87586559	Rotatable_Bond_Count	0
23350	Total_Formal_Charge	0
3011729	Covalent_Unit_Count	1
630635	Hydrogen_Bond_Donor_Count	0
443788	Undefined_Bond_Stereo_Count	0
15013749	Molecular_Weight	545.7
404422	Rotatable_Bond_Count	5
1549107	Isotope_Atom_Count	0
6610	Tautomer_Count	4
6182	Defined_Atom_Stereo_Count	0
2515	Tautomer_Count	6
5804	Molecular_Weight	635.96
4727	Hydrogen_Bond_Acceptor_Count	4
24826	Covalent_Unit_Count	5
4778	Total_Formal_Charge	0
107715	Covalent_Unit_Count	1
101684738	Covalent_Unit_Count	1
86277430	TPSA	86
643209	Undefined_Atom_Stereo_Count	0
72258	Rotatable_Bond_Count	1
14416018	Non-hydrogen_Atom_Count	7
445382	Defined_Atom_Stereo_Count	5
11416126	Hydrogen_Bond_Donor_Count	1
44407	Undefined_Atom_Stereo_Count	0
25352	TPSA	91.6
534439	Exact_Mass	114.104465066
6338	Tautomer_Count	1
66692781	Undefined_Atom_Stereo_Count	0
7370	Non-hydrogen_Atom_Count	10
57394212	Molecular_Weight	481.5
9025	TPSA	18.5
93303	Defined_Bond_Stereo_Count	0
7470	XLogP3	2.3
141836779	TPSA	20.2
54203587	Total_Formal_Charge	0
101989	Defined_Atom_Stereo_Count	7
12103	Structure_Complexity	83
54177139	Hydrogen_Bond_Acceptor_Count	2
126969054	TPSA	60.7
156588151	Isotope_Atom_Count	0
135744192	Molecular_Weight	116.08
9956127	TPSA	117
2736145	Covalent_Unit_Count	1
13524524	Isotope_Atom_Count	0
5284515	Non-hydrogen_Atom_Count	29
146682529	Defined_Atom_Stereo_Count	2
12293	Molecular_Weight	158.24
2844	Hydrogen_Bond_Donor_Count	5
78858	XLogP3	0.9
5059	Defined_Atom_Stereo_Count	0
1004	Hydrogen_Bond_Donor_Count	3
151182	Structure_Complexity	285
23665731	Isotope_Atom_Count	0
106429	Defined_Bond_Stereo_Count	0
2734122	TPSA	52.5
963289	Hydrogen_Bond_Acceptor_Count	3
20316	Rotatable_Bond_Count	3
80779	TPSA	64.4
14494974	Non-hydrogen_Atom_Count	7
6669	Tautomer_Count	2
87187677	XLogP3-AA	1.2
15532	Defined_Atom_Stereo_Count	0
6437356	Defined_Atom_Stereo_Count	0
6852128	Undefined_Atom_Stereo_Count	0
17019	Molecular_Weight	271.15
665063	Rotatable_Bond_Count	4
13165124	Isotope_Atom_Count	0
448972	Undefined_Atom_Stereo_Count	0
27924	Hydrogen_Bond_Acceptor_Count	8
18410302	Hydrogen_Bond_Acceptor_Count	3
23137	Non-hydrogen_Atom_Count	13
89280865	Undefined_Atom_Stereo_Count	1
551387	Structure_Complexity	203
10785	Hydrogen_Bond_Donor_Count	1
53359023	Undefined_Bond_Stereo_Count	0
67403	Undefined_Bond_Stereo_Count	0
11679800	XLogP3-AA	2.4
151726	Mono_Isotopic_Weight	125.047678466
93074	Hydrogen_Bond_Donor_Count	1
8122	Exact_Mass	312.302830514
11668120	Hydrogen_Bond_Acceptor_Count	4
137944176	Total_Formal_Charge	0
5460819	Isotope_Atom_Count	0
262282	Hydrogen_Bond_Donor_Count	1
5362893	Isotope_Atom_Count	0
49866524	Hydrogen_Bond_Donor_Count	1
53476	Hydrogen_Bond_Acceptor_Count	4
104276777	Molecular_Weight	110.15
11207	Non-hydrogen_Atom_Count	5
75081	Defined_Bond_Stereo_Count	0
4353	XLogP3-AA	0.1
27428	Hydrogen_Bond_Donor_Count	0
448812	Covalent_Unit_Count	1
874073	Structure_Complexity	506
16051495	Rotatable_Bond_Count	5
53595	Hydrogen_Bond_Acceptor_Count	13
99327	Tautomer_Count	4
4186	XLogP3-AA	8.6
15798651	Hydrogen_Bond_Donor_Count	0
444590	Rotatable_Bond_Count	18
542337	Molecular_Weight	100.16
7777	Isotope_Atom_Count	0
5020115	Molecular_Weight	88.13
6603775	Total_Formal_Charge	0
129849349	Covalent_Unit_Count	1
12546498	Defined_Atom_Stereo_Count	2
70683717	Undefined_Bond_Stereo_Count	0
15677233	Total_Formal_Charge	0
22253	Isotope_Atom_Count	0
94350	Structure_Complexity	1480
559072	Hydrogen_Bond_Donor_Count	0
20684416	Defined_Bond_Stereo_Count	0
9917013	Structure_Complexity	1150
67535	Exact_Mass	189.078978594
1179	Molecular_Weight	836.8
67512	Defined_Atom_Stereo_Count	0
5702279	Hydrogen_Bond_Acceptor_Count	18
123336	Undefined_Bond_Stereo_Count	0
6450816	Exact_Mass	612.2173192
124486	Undefined_Bond_Stereo_Count	0
66829	Defined_Atom_Stereo_Count	0
7199	Exact_Mass	140.120115130
656954	XLogP3-AA	3.6
19040543	Defined_Bond_Stereo_Count	0
444104	Rotatable_Bond_Count	10
441397	Hydrogen_Bond_Acceptor_Count	9
9796068	Hydrogen_Bond_Donor_Count	1
17356	Defined_Bond_Stereo_Count	0
19937448	Structure_Complexity	170
91230338	Isotope_Atom_Count	0
6263	Rotatable_Bond_Count	2
123134107	Undefined_Atom_Stereo_Count	3
272282	Defined_Bond_Stereo_Count	0
2703	Tautomer_Count	1
12371	Non-hydrogen_Atom_Count	8
151449	TPSA	20.2
14365987	Hydrogen_Bond_Donor_Count	0
73353577	Defined_Bond_Stereo_Count	0
123885601	Structure_Complexity	92.6
7242	Hydrogen_Bond_Acceptor_Count	1
11637	Tautomer_Count	1
23631982	Covalent_Unit_Count	1
86076173	Undefined_Atom_Stereo_Count	0
136892	Covalent_Unit_Count	1
13220194	Structure_Complexity	238
6994	Exact_Mass	122.073164938
59144	Total_Formal_Charge	0
72493	Structure_Complexity	1090
143289	Defined_Atom_Stereo_Count	0
40146	Exact_Mass	240.126263138
10486803	Exact_Mass	98.048012819
71508542	Covalent_Unit_Count	1
4871804	Undefined_Bond_Stereo_Count	0
439616	Exact_Mass	152.047344113
14875988	Rotatable_Bond_Count	1
12515628	Defined_Bond_Stereo_Count	0
72699435	Total_Formal_Charge	0
163701	Covalent_Unit_Count	2
86373	Molecular_Weight	774.13
46625	Undefined_Atom_Stereo_Count	0
88045	Hydrogen_Bond_Donor_Count	9
14912114	Covalent_Unit_Count	1
12211639	Structure_Complexity	56.7
8011	Exact_Mass	71.037113783
25875	Non-hydrogen_Atom_Count	22
134694856	Undefined_Bond_Stereo_Count	0
162290	Exact_Mass	692.5025642
11589453	Undefined_Atom_Stereo_Count	1
62428	Rotatable_Bond_Count	4
22939741	Undefined_Bond_Stereo_Count	0
53315818	TPSA	58.6
45934203	Molecular_Weight	281.26
9861147	Covalent_Unit_Count	1
5281417	Defined_Atom_Stereo_Count	5
54676228	Molecular_Weight	331.3
71210615	Non-hydrogen_Atom_Count	23
8	Undefined_Atom_Stereo_Count	2
22258	Hydrogen_Bond_Donor_Count	0
16760569	Rotatable_Bond_Count	11
92546	Mono_Isotopic_Weight	224.07970687
137699165	XLogP3-AA	4.3
101611446	Hydrogen_Bond_Acceptor_Count	0
4273	TPSA	86.1
19080487	Defined_Atom_Stereo_Count	0
1476857	Non-hydrogen_Atom_Count	18
8923	Non-hydrogen_Atom_Count	14
445091	Hydrogen_Bond_Acceptor_Count	4
9577585	Exact_Mass	303.0410689
22712811	Defined_Bond_Stereo_Count	0
18467387	Hydrogen_Bond_Acceptor_Count	2
418360	Structure_Complexity	325
155882889	Undefined_Bond_Stereo_Count	0
11215	Rotatable_Bond_Count	2
90657669	Mono_Isotopic_Weight	582.27164427
71950363	Undefined_Atom_Stereo_Count	0
517030	Defined_Bond_Stereo_Count	0
11535810	Hydrogen_Bond_Acceptor_Count	1
15580	Undefined_Bond_Stereo_Count	0
3151	Defined_Atom_Stereo_Count	0
20470622	Defined_Atom_Stereo_Count	0
141281584	XLogP3-AA	1.7
35763	Isotope_Atom_Count	0
24090	Undefined_Atom_Stereo_Count	1
9892481	Rotatable_Bond_Count	11
60464	Covalent_Unit_Count	1
7566642	TPSA	1
163962080	XLogP3-AA	0.2
764764	Undefined_Bond_Stereo_Count	0
69994	Molecular_Weight	156.61
2775311	Rotatable_Bond_Count	0
8177	Total_Formal_Charge	0
35378	Covalent_Unit_Count	1
129670580	XLogP3-AA	3.2
31762	Structure_Complexity	522
10278470	Structure_Complexity	686
13490845	Undefined_Bond_Stereo_Count	0
6082	Defined_Bond_Stereo_Count	0
135860757	Hydrogen_Bond_Donor_Count	1
14160348	Defined_Atom_Stereo_Count	0
84078	Rotatable_Bond_Count	8
1740	XLogP3-AA	0.4
548769	Structure_Complexity	172
5251826	Total_Formal_Charge	0
13602	Defined_Atom_Stereo_Count	0
129890070	Mono_Isotopic_Weight	348.9520720
641496	Structure_Complexity	81.8
9109	Hydrogen_Bond_Donor_Count	0
135413511	Hydrogen_Bond_Donor_Count	1
9568077	Rotatable_Bond_Count	6
68993193	Defined_Atom_Stereo_Count	0
325385	Hydrogen_Bond_Donor_Count	0
79717	Defined_Bond_Stereo_Count	0
9963430	Hydrogen_Bond_Donor_Count	4
13134	Defined_Atom_Stereo_Count	0
53903157	Isotope_Atom_Count	0
168263	Structure_Complexity	83.5
5283393	Hydrogen_Bond_Acceptor_Count	1
8763	Undefined_Atom_Stereo_Count	0
90394	Hydrogen_Bond_Donor_Count	3
19027501	Rotatable_Bond_Count	3
23663409	Molecular_Weight	374.16
59471599	XLogP3-AA	0
521874	Undefined_Bond_Stereo_Count	0
70751	Exact_Mass	141.053826475
66099	Defined_Bond_Stereo_Count	0
7522	Hydrogen_Bond_Donor_Count	0
135409474	Mono_Isotopic_Weight	316.04775529
13134	Rotatable_Bond_Count	2
81629	Undefined_Atom_Stereo_Count	0
16126651	Defined_Bond_Stereo_Count	0
141082	Mono_Isotopic_Weight	98.073164938
86322	Tautomer_Count	9
133611945	Undefined_Bond_Stereo_Count	0
5064	Hydrogen_Bond_Acceptor_Count	7
68841	Covalent_Unit_Count	1
11647372	Undefined_Atom_Stereo_Count	0
2734243	Molecular_Weight	340.29
46912230	Total_Formal_Charge	0
432760	Defined_Bond_Stereo_Count	0
21070	XLogP3	7
22084	Molecular_Weight	143.23
24961094	TPSA	103
68110	Defined_Bond_Stereo_Count	0
134694983	Exact_Mass	805.56637496
6473883	Exact_Mass	834.54530517
87754	Molecular_Weight	215.04
32427	Structure_Complexity	382
33791	Tautomer_Count	1
54016283	Undefined_Bond_Stereo_Count	0
125027416	Rotatable_Bond_Count	3
135400183	Covalent_Unit_Count	1
2546	TPSA	112
44563177	Undefined_Bond_Stereo_Count	0
8348	Hydrogen_Bond_Acceptor_Count	2
118285	Defined_Atom_Stereo_Count	0
6419957	Exact_Mass	1456.4334786
75821	Isotope_Atom_Count	0
91027156	Covalent_Unit_Count	1
74484	Molecular_Weight	260.99
21428	Defined_Bond_Stereo_Count	0
12022	Hydrogen_Bond_Acceptor_Count	1
933147	Structure_Complexity	360
21613900	Covalent_Unit_Count	1
50897	Undefined_Bond_Stereo_Count	0
44414728	Molecular_Weight	380.8
403165	Mono_Isotopic_Weight	339.98474
15608605	Molecular_Weight	416.5
18413907	Mono_Isotopic_Weight	95.073499291
736366	Molecular_Weight	202.28
34768	Undefined_Atom_Stereo_Count	0
35801	Total_Formal_Charge	0
84647602	Mono_Isotopic_Weight	97.052763847
135542454	Non-hydrogen_Atom_Count	25
12717520	Hydrogen_Bond_Donor_Count	1
16051941	Hydrogen_Bond_Acceptor_Count	23
105031	TPSA	101
78350	Isotope_Atom_Count	0
10240761	Defined_Bond_Stereo_Count	0
25010550	Total_Formal_Charge	0
12740462	Total_Formal_Charge	0
7085	Hydrogen_Bond_Acceptor_Count	3
13710589	Exact_Mass	78.01393598
23682789	Defined_Atom_Stereo_Count	0
11478	Rotatable_Bond_Count	2
25014844	TPSA	86.2
5460819	Undefined_Bond_Stereo_Count	0
24864718	Exact_Mass	487.1065616
12398	Covalent_Unit_Count	1
48368	Isotope_Atom_Count	0
5466139	Undefined_Atom_Stereo_Count	0
234735	Total_Formal_Charge	0
9954739	Total_Formal_Charge	0
69889594	Undefined_Atom_Stereo_Count	1
160534	Defined_Bond_Stereo_Count	0
71362	Undefined_Bond_Stereo_Count	0
8852	Covalent_Unit_Count	1
250457	TPSA	43.4
44126086	TPSA	106
129653817	Non-hydrogen_Atom_Count	9
35120	XLogP3-AA	5.6
19778718	Defined_Atom_Stereo_Count	0
433604	Structure_Complexity	142
5324776	Undefined_Atom_Stereo_Count	0
12087	Total_Formal_Charge	0
11915	Undefined_Bond_Stereo_Count	0
54562506	Non-hydrogen_Atom_Count	8
34696	Undefined_Bond_Stereo_Count	0
3734	Tautomer_Count	15
60196284	Undefined_Atom_Stereo_Count	0
146156358	Defined_Bond_Stereo_Count	0
11007841	Hydrogen_Bond_Donor_Count	0
11363176	Structure_Complexity	674
23678802	Rotatable_Bond_Count	12
6971047	Total_Formal_Charge	0
13220	Molecular_Weight	155.24
9979	Defined_Atom_Stereo_Count	0
64968	Hydrogen_Bond_Acceptor_Count	14
15920952	Hydrogen_Bond_Donor_Count	1
153834924	Rotatable_Bond_Count	0
135437	Hydrogen_Bond_Acceptor_Count	4
6763	Covalent_Unit_Count	1
3038501	Hydrogen_Bond_Acceptor_Count	6
44564107	Exact_Mass	7591.7553328
21909502	Non-hydrogen_Atom_Count	18
135413539	Defined_Bond_Stereo_Count	2
22349965	Covalent_Unit_Count	1
5863	Defined_Atom_Stereo_Count	7
54692246	Hydrogen_Bond_Acceptor_Count	5
101602193	Structure_Complexity	1510
13531445	Exact_Mass	101.047678466
7380	Hydrogen_Bond_Acceptor_Count	1
11271	Structure_Complexity	72.4
131704172	Covalent_Unit_Count	2
118039329	Structure_Complexity	756
3781988	Hydrogen_Bond_Donor_Count	0
17816	Defined_Atom_Stereo_Count	0
8987	Undefined_Bond_Stereo_Count	0
520478	Isotope_Atom_Count	0
68681268	Isotope_Atom_Count	0
53630039	Hydrogen_Bond_Donor_Count	0
5460495	Mono_Isotopic_Weight	115.063328530
961	Tautomer_Count	1
54087622	Structure_Complexity	94.4
68876	Defined_Atom_Stereo_Count	0
71171	Non-hydrogen_Atom_Count	48
5364579	Exact_Mass	98.073164938
9690120	Covalent_Unit_Count	2
73958	Exact_Mass	110.073164938
2860	Rotatable_Bond_Count	1
5359327	Hydrogen_Bond_Donor_Count	0
18352108	Hydrogen_Bond_Acceptor_Count	2
43708	Total_Formal_Charge	0
51029782	Mono_Isotopic_Weight	401.20630436
131999	Exact_Mass	326.96354
519200	TPSA	18.5
4643	Molecular_Weight	362.5
66755	Exact_Mass	138.068079557
87254011	XLogP3-AA	1.9
23683747	Molecular_Weight	201.24
45108235	Rotatable_Bond_Count	9
4369563	Hydrogen_Bond_Donor_Count	2
71961	Hydrogen_Bond_Acceptor_Count	9
12202794	Non-hydrogen_Atom_Count	8
1419	Hydrogen_Bond_Donor_Count	0
137968081	Exact_Mass	645.22909095
2099	Non-hydrogen_Atom_Count	22
624041	Undefined_Bond_Stereo_Count	0
2734398	Undefined_Bond_Stereo_Count	0
57541295	Defined_Atom_Stereo_Count	2
5288453	Total_Formal_Charge	0
3032854	Defined_Bond_Stereo_Count	0
53692307	Hydrogen_Bond_Donor_Count	0
31193	Defined_Bond_Stereo_Count	0
447278	Undefined_Bond_Stereo_Count	0
263	Defined_Bond_Stereo_Count	0
135846942	Molecular_Weight	327.5
1516	Hydrogen_Bond_Donor_Count	3
14970	Hydrogen_Bond_Donor_Count	20
571	Mono_Isotopic_Weight	307.09120050
7329	Non-hydrogen_Atom_Count	17
19633	Rotatable_Bond_Count	6
130881	Molecular_Weight	558.6
294864	Rotatable_Bond_Count	1
87468707	Covalent_Unit_Count	1
3410	Undefined_Bond_Stereo_Count	0
116842112	Hydrogen_Bond_Acceptor_Count	1
20194949	Mono_Isotopic_Weight	114.02294089
907170	Mono_Isotopic_Weight	289.16779360
1688	Mono_Isotopic_Weight	318.0326684
11625386	TPSA	72.7
288549	Hydrogen_Bond_Donor_Count	0
183812	Non-hydrogen_Atom_Count	31
101008927	Non-hydrogen_Atom_Count	20
10176120	Defined_Bond_Stereo_Count	0
148763531	Covalent_Unit_Count	1
53766125	Molecular_Weight	117.10
135398742	Rotatable_Bond_Count	8
13809010	Total_Formal_Charge	0
444182	Total_Formal_Charge	0
11755113	Hydrogen_Bond_Acceptor_Count	10
32316	TPSA	41.9
19040	Structure_Complexity	59.4
6710735	Undefined_Atom_Stereo_Count	0
12376	Hydrogen_Bond_Acceptor_Count	4
135413554	Isotope_Atom_Count	0
556380	Mono_Isotopic_Weight	108.057514874
73253	Defined_Bond_Stereo_Count	0
55212037	Hydrogen_Bond_Acceptor_Count	4
88008	Hydrogen_Bond_Acceptor_Count	8
115163	Exact_Mass	439.21409234
439680	Undefined_Bond_Stereo_Count	0
154986845	XLogP3-AA	1.1
441261	Structure_Complexity	615
9907847	Isotope_Atom_Count	0
86412	Undefined_Bond_Stereo_Count	0
136657690	Total_Formal_Charge	0
54726514	Undefined_Atom_Stereo_Count	0
13042689	Isotope_Atom_Count	0
57079767	Undefined_Bond_Stereo_Count	0
57370827	Total_Formal_Charge	0
13068	XLogP3	5.1
31336	Defined_Atom_Stereo_Count	1
73557521	Molecular_Weight	190.09
17549	Undefined_Atom_Stereo_Count	0
56845949	Non-hydrogen_Atom_Count	6
11761	Molecular_Weight	182.13
71456722	Covalent_Unit_Count	1
54688686	Undefined_Bond_Stereo_Count	0
15109	Defined_Bond_Stereo_Count	0
138477	Exact_Mass	146.059246208
91031492	Defined_Atom_Stereo_Count	1
596237	Covalent_Unit_Count	1
155742	Defined_Atom_Stereo_Count	0
10867835	Exact_Mass	221.09292838
527013	TPSA	23.6
130664213	Total_Formal_Charge	0
58436	Total_Formal_Charge	0
6436125	Undefined_Bond_Stereo_Count	0
71888	TPSA	94.8
63045	Hydrogen_Bond_Acceptor_Count	7
96389	Hydrogen_Bond_Donor_Count	1
15752282	Mono_Isotopic_Weight	111.068413911
8970	Structure_Complexity	340
627951	Total_Formal_Charge	0
133667882	Exact_Mass	110.073164938
16079005	Covalent_Unit_Count	2
40855	Defined_Bond_Stereo_Count	0
4944	Undefined_Atom_Stereo_Count	0
2734646	Tautomer_Count	1
20351642	Mono_Isotopic_Weight	254.08171824
3973230	Exact_Mass	102.055503498
85056	Hydrogen_Bond_Donor_Count	0
126280	Isotope_Atom_Count	0
137716	Undefined_Atom_Stereo_Count	0
89178	Defined_Bond_Stereo_Count	0
516875	Undefined_Bond_Stereo_Count	0
10142377	TPSA	149
768325	Structure_Complexity	269
24867454	Mono_Isotopic_Weight	649.7822
7018870	Undefined_Bond_Stereo_Count	0
17834171	Molecular_Weight	101.15
44412	Structure_Complexity	44.1
12494777	Rotatable_Bond_Count	3
34936	Undefined_Atom_Stereo_Count	0
9256	Non-hydrogen_Atom_Count	5
100665	Defined_Atom_Stereo_Count	4
122612	Tautomer_Count	1
1973	Mono_Isotopic_Weight	462.08037
56473	Hydrogen_Bond_Acceptor_Count	3
7173	Undefined_Atom_Stereo_Count	0
235905	Hydrogen_Bond_Donor_Count	1
73759759	Molecular_Weight	909.1
68979856	Hydrogen_Bond_Acceptor_Count	3
140083	Undefined_Bond_Stereo_Count	0
9933197	Hydrogen_Bond_Acceptor_Count	9
17195	Undefined_Atom_Stereo_Count	0
69110	Rotatable_Bond_Count	1
29629	Isotope_Atom_Count	0
12248518	Isotope_Atom_Count	0
67128140	Hydrogen_Bond_Acceptor_Count	4
52931497	Defined_Atom_Stereo_Count	10
71234	Undefined_Bond_Stereo_Count	0
14050	TPSA	66.8
9375	Hydrogen_Bond_Donor_Count	2
24900749	Undefined_Atom_Stereo_Count	0
3033017	Exact_Mass	242.10889899
11126230	Covalent_Unit_Count	1
821629	Hydrogen_Bond_Acceptor_Count	5
94169	Tautomer_Count	1
25526	Total_Formal_Charge	0
4	Defined_Bond_Stereo_Count	0
12699188	Exact_Mass	100.100048391
11234049	Undefined_Atom_Stereo_Count	0
103544	Covalent_Unit_Count	1
202225	Defined_Bond_Stereo_Count	0
53323075	Rotatable_Bond_Count	8
449171	XLogP3	6.3
20034388	Molecular_Weight	89.14
3539116	Defined_Atom_Stereo_Count	0
9432	Hydrogen_Bond_Acceptor_Count	2
12599352	Defined_Atom_Stereo_Count	0
6891	Molecular_Weight	201.25
54584258	Undefined_Bond_Stereo_Count	0
9464	Mono_Isotopic_Weight	203.074642105
5611	Undefined_Atom_Stereo_Count	1
53151	Defined_Atom_Stereo_Count	0
11740218	Exact_Mass	375.1601214
146156434	Molecular_Weight	602.9
6796	Isotope_Atom_Count	0
6918160	Undefined_Bond_Stereo_Count	0
21275073	Defined_Bond_Stereo_Count	0
67568	Hydrogen_Bond_Acceptor_Count	2
12550332	Non-hydrogen_Atom_Count	7
155087254	Isotope_Atom_Count	0
5365811	Mono_Isotopic_Weight	98.073164938
80296024	Structure_Complexity	136
5367412	Non-hydrogen_Atom_Count	11
9874248	Undefined_Bond_Stereo_Count	0
121734	Hydrogen_Bond_Donor_Count	1
10329946	Molecular_Weight	181.15
627458	Defined_Atom_Stereo_Count	0
197341	Defined_Bond_Stereo_Count	0
6540262	Molecular_Weight	98.15
138059757	Molecular_Weight	430.5
16759596	Isotope_Atom_Count	0
525	Non-hydrogen_Atom_Count	9
260708	Defined_Bond_Stereo_Count	0
10453145	XLogP3-AA	3.8
13138141	Covalent_Unit_Count	2
17676	Hydrogen_Bond_Donor_Count	1
533909	Isotope_Atom_Count	0
57404185	Covalent_Unit_Count	2
150929	Covalent_Unit_Count	1
448043	Undefined_Bond_Stereo_Count	0
26421	XLogP3-AA	1
7385	Non-hydrogen_Atom_Count	12
135887830	Hydrogen_Bond_Donor_Count	21
28852	Covalent_Unit_Count	1
6080476	Defined_Bond_Stereo_Count	4
178787	Hydrogen_Bond_Acceptor_Count	6
657690	Total_Formal_Charge	1
90473076	Hydrogen_Bond_Donor_Count	5
88191	Isotope_Atom_Count	0
56955186	Hydrogen_Bond_Acceptor_Count	3
10251906	Defined_Bond_Stereo_Count	0
19879	Molecular_Weight	234.28
97736001	Defined_Bond_Stereo_Count	0
58460047	TPSA	98
43102	Mono_Isotopic_Weight	260.188863393
68490	Undefined_Atom_Stereo_Count	0
23465004	TPSA	20.2
10197656	Hydrogen_Bond_Acceptor_Count	3
44539266	Rotatable_Bond_Count	9
40030	Hydrogen_Bond_Acceptor_Count	3
98882	Undefined_Atom_Stereo_Count	0
6438877	Undefined_Bond_Stereo_Count	0
3033621	Tautomer_Count	3
39727	Tautomer_Count	1
418587	TPSA	238
21057641	Exact_Mass	525.2646307
950	Defined_Bond_Stereo_Count	0
163050676	Defined_Atom_Stereo_Count	8
11587584	Molecular_Weight	306.4
22628430	Rotatable_Bond_Count	1
954767	Rotatable_Bond_Count	4
29845	XLogP3	2.7
3137	Defined_Bond_Stereo_Count	0
123892691	Rotatable_Bond_Count	1
31239	Covalent_Unit_Count	2
7040	Non-hydrogen_Atom_Count	13
10215	Undefined_Bond_Stereo_Count	0
20216719	Undefined_Bond_Stereo_Count	0
9951059	Rotatable_Bond_Count	5
5365909	Defined_Atom_Stereo_Count	0
4356	Hydrogen_Bond_Acceptor_Count	6
18720	Hydrogen_Bond_Donor_Count	0
163640634	Structure_Complexity	118
15567019	Molecular_Weight	114.14
78031	Mono_Isotopic_Weight	229.99456046
12848394	TPSA	36.3
21585117	Undefined_Atom_Stereo_Count	0
55290897	Mono_Isotopic_Weight	93.021463719
146157727	Total_Formal_Charge	0
2554	TPSA	46.3
543112	Isotope_Atom_Count	0
5093953	Defined_Bond_Stereo_Count	0
4075158	Structure_Complexity	149
6843	XLogP3	3.1
7362	Hydrogen_Bond_Acceptor_Count	2
78012803	Rotatable_Bond_Count	3
60196330	Total_Formal_Charge	0
872	Non-hydrogen_Atom_Count	23
55993	Total_Formal_Charge	0
21202	Mono_Isotopic_Weight	262.168127949
129822315	Mono_Isotopic_Weight	203.983424
108147	Structure_Complexity	1450
7067872	Mono_Isotopic_Weight	303.14705815
90476206	Hydrogen_Bond_Acceptor_Count	9
15496999	Molecular_Weight	97.12
4056	Defined_Atom_Stereo_Count	0
5090	Defined_Bond_Stereo_Count	0
2724372	Structure_Complexity	412
75840	Hydrogen_Bond_Donor_Count	2
165574	Undefined_Atom_Stereo_Count	2
22175060	Hydrogen_Bond_Donor_Count	2
22678982	Hydrogen_Bond_Acceptor_Count	6
148191	Defined_Bond_Stereo_Count	0
5206	Defined_Bond_Stereo_Count	0
31246	TPSA	17.1
7366	Defined_Atom_Stereo_Count	0
3036443	Total_Formal_Charge	0
122361528	XLogP3-AA	4
74619	Total_Formal_Charge	0
235303	Hydrogen_Bond_Donor_Count	1
445318	Undefined_Bond_Stereo_Count	0
9916489	Structure_Complexity	880
672296	Isotope_Atom_Count	0
75576	Rotatable_Bond_Count	2
76673	Defined_Bond_Stereo_Count	0
5360516	Covalent_Unit_Count	1
4657547	Tautomer_Count	1
6921	XLogP3	3.5
22833489	Mono_Isotopic_Weight	345.938317
53779803	Isotope_Atom_Count	0
4538	Undefined_Bond_Stereo_Count	0
22348641	Defined_Atom_Stereo_Count	0
54580	Hydrogen_Bond_Donor_Count	1
114681	Defined_Atom_Stereo_Count	0
7846	Total_Formal_Charge	0
439236	Covalent_Unit_Count	1
57393451	Total_Formal_Charge	0
81867	Exact_Mass	257.0243562
55652	Hydrogen_Bond_Donor_Count	0
139590844	Defined_Bond_Stereo_Count	0
715513	XLogP3-AA	4.4
19816653	Isotope_Atom_Count	0
5169	TPSA	61.8
18509379	Defined_Atom_Stereo_Count	0
11789150	Total_Formal_Charge	0
3083671	Hydrogen_Bond_Donor_Count	2
71449750	Isotope_Atom_Count	0
224242	Mono_Isotopic_Weight	100.088815002
816864	Exact_Mass	253.09502258
10477191	Defined_Atom_Stereo_Count	1
54343	Molecular_Weight	353.8
160419	Non-hydrogen_Atom_Count	8
99451	Rotatable_Bond_Count	0
1457	Isotope_Atom_Count	0
123909	Hydrogen_Bond_Acceptor_Count	24
11719190	Undefined_Atom_Stereo_Count	0
163285897	Defined_Atom_Stereo_Count	39
53479	Structure_Complexity	199
36933	TPSA	24.9
9548620	Defined_Bond_Stereo_Count	1
101821629	Mono_Isotopic_Weight	127.964803
24680	TPSA	17.1
15817396	Non-hydrogen_Atom_Count	8
219990	Structure_Complexity	212
62576	Isotope_Atom_Count	0
138024	Hydrogen_Bond_Donor_Count	0
90695524	Structure_Complexity	124
443971	Mono_Isotopic_Weight	216.05108644
44338517	Exact_Mass	462.17419698
63011	Rotatable_Bond_Count	5
317505	Molecular_Weight	310.4
91285707	Hydrogen_Bond_Donor_Count	0
41506	Mono_Isotopic_Weight	346.13805082
638793	Defined_Atom_Stereo_Count	8
74572	Defined_Atom_Stereo_Count	0
44457968	Defined_Bond_Stereo_Count	0
12196274	Defined_Atom_Stereo_Count	0
123859265	Isotope_Atom_Count	0
16945	Hydrogen_Bond_Acceptor_Count	0
45357	Non-hydrogen_Atom_Count	17
5473268	Non-hydrogen_Atom_Count	27
451156	Undefined_Bond_Stereo_Count	0
11919	TPSA	0
5667	Isotope_Atom_Count	0
129654248	Undefined_Bond_Stereo_Count	0
46437	Hydrogen_Bond_Acceptor_Count	1
51397976	TPSA	135
11907	Isotope_Atom_Count	0
123237074	Undefined_Bond_Stereo_Count	0
163548545	Non-hydrogen_Atom_Count	8
2733487	Undefined_Atom_Stereo_Count	0
44760	Exact_Mass	450.1743917
4369451	Rotatable_Bond_Count	3
26470417	Molecular_Weight	342.30
132541087	Hydrogen_Bond_Donor_Count	0
129821598	Molecular_Weight	167.25
23385871	TPSA	3.2
18908	Total_Formal_Charge	0
118689592	Structure_Complexity	1220
13166771	Defined_Atom_Stereo_Count	0
86811394	Defined_Bond_Stereo_Count	0
49869173	Hydrogen_Bond_Donor_Count	1
9281	Hydrogen_Bond_Donor_Count	0
155903168	Non-hydrogen_Atom_Count	61
162990683	Covalent_Unit_Count	1
3658	Hydrogen_Bond_Acceptor_Count	4
4996851	XLogP3-AA	0.7
9860946	Mono_Isotopic_Weight	295.157228913
657085	TPSA	124
16490	TPSA	94.8
13789	Hydrogen_Bond_Acceptor_Count	3
13019047	Isotope_Atom_Count	0
62878	Isotope_Atom_Count	0
24865625	Hydrogen_Bond_Donor_Count	3
880	Mono_Isotopic_Weight	72.021129366
447029	Defined_Bond_Stereo_Count	0
9852188	Exact_Mass	628.44916039
68668153	Mono_Isotopic_Weight	240.089877630
7059472	Defined_Atom_Stereo_Count	3
4690818	Structure_Complexity	260
5283213	XLogP3	2.8
8292	Mono_Isotopic_Weight	308.03058836
9918381	Defined_Atom_Stereo_Count	0
2899204	Molecular_Weight	357.24
15937952	Non-hydrogen_Atom_Count	7
21058180	Hydrogen_Bond_Donor_Count	0
3946663	Defined_Atom_Stereo_Count	0
2771	Exact_Mass	324.16379146
53318409	Isotope_Atom_Count	0
2568387	Isotope_Atom_Count	0
643209	Isotope_Atom_Count	0
56841794	Defined_Bond_Stereo_Count	0
449	Defined_Bond_Stereo_Count	0
129664338	Rotatable_Bond_Count	1
20057076	Undefined_Atom_Stereo_Count	0
82140	Covalent_Unit_Count	1
2473	Defined_Bond_Stereo_Count	0
90558	Hydrogen_Bond_Acceptor_Count	4
134816864	Defined_Bond_Stereo_Count	0
85782230	TPSA	26.3
71200	Exact_Mass	292.215078140
156497240	Total_Formal_Charge	0
208902	Undefined_Atom_Stereo_Count	0
9860946	Isotope_Atom_Count	0
643774	Rotatable_Bond_Count	0
124707323	Hydrogen_Bond_Donor_Count	0
21614503	XLogP3-AA	0.6
502206	Defined_Atom_Stereo_Count	15
9085	Structure_Complexity	189
144524	Total_Formal_Charge	0
3035842	Molecular_Weight	165.24
524640	Structure_Complexity	96.6
15644502	Isotope_Atom_Count	0
3195	Defined_Atom_Stereo_Count	0
19431	Undefined_Atom_Stereo_Count	0
59037463	Molecular_Weight	303.35
44454986	Hydrogen_Bond_Acceptor_Count	9
54031007	Non-hydrogen_Atom_Count	7
6433266	Exact_Mass	372.28757437
21460	Structure_Complexity	59.6
15951484	Undefined_Atom_Stereo_Count	1
24751	Defined_Bond_Stereo_Count	0
264852	XLogP3-AA	5.4
16122643	Defined_Atom_Stereo_Count	0
225612	TPSA	98
138335	Defined_Bond_Stereo_Count	0
6190	Defined_Bond_Stereo_Count	0
67412	Hydrogen_Bond_Acceptor_Count	2
44134949	Defined_Atom_Stereo_Count	0
15294	Undefined_Atom_Stereo_Count	0
90895	Tautomer_Count	1
539061	XLogP3	0.8
94242	Hydrogen_Bond_Donor_Count	0
3170	Isotope_Atom_Count	0
5702293	Covalent_Unit_Count	2
50990560	Exact_Mass	842.51400504
14965861	Covalent_Unit_Count	1
136247302	Exact_Mass	391.262362685
4078	Undefined_Bond_Stereo_Count	0
98615047	XLogP3-AA	4
2794133	TPSA	121
79885	Undefined_Bond_Stereo_Count	0
317	Rotatable_Bond_Count	18
10154007	Structure_Complexity	64
755686	Defined_Bond_Stereo_Count	0
87455238	Undefined_Bond_Stereo_Count	0
11954236	Isotope_Atom_Count	0
142959	Structure_Complexity	68.4
17948845	Defined_Bond_Stereo_Count	0
11344002	Defined_Atom_Stereo_Count	0
15190	Isotope_Atom_Count	0
84075989	Non-hydrogen_Atom_Count	8
45119915	Defined_Bond_Stereo_Count	0
12293	Hydrogen_Bond_Acceptor_Count	2
123385940	Undefined_Atom_Stereo_Count	4
10482134	Undefined_Atom_Stereo_Count	0
42580059	Hydrogen_Bond_Donor_Count	8
53316376	Mono_Isotopic_Weight	516.07286792
590908	Total_Formal_Charge	0
535856	Defined_Bond_Stereo_Count	0
14251035	Structure_Complexity	53.6
107275	Defined_Bond_Stereo_Count	0
96583	TPSA	73
123969926	Mono_Isotopic_Weight	116.083729621
6453100	Hydrogen_Bond_Acceptor_Count	4
20390093	TPSA	48.2
443297	Tautomer_Count	1
71587897	TPSA	124
43079	TPSA	20.3
10477191	Defined_Bond_Stereo_Count	0
21492261	Total_Formal_Charge	0
20639618	Exact_Mass	20.047748626
14501	Mono_Isotopic_Weight	163.98368
4448	Covalent_Unit_Count	1
25674	Hydrogen_Bond_Acceptor_Count	4
17980418	Hydrogen_Bond_Acceptor_Count	4
29352	Covalent_Unit_Count	1
20003	Undefined_Bond_Stereo_Count	0
606817	Defined_Bond_Stereo_Count	0
11339	TPSA	115
2734680	Hydrogen_Bond_Donor_Count	0
5320313	Isotope_Atom_Count	0
70681602	Isotope_Atom_Count	0
642661	Defined_Atom_Stereo_Count	0
75496	Undefined_Bond_Stereo_Count	0
534094	Non-hydrogen_Atom_Count	6
21016055	Rotatable_Bond_Count	0
9306	Undefined_Atom_Stereo_Count	1
85989631	Non-hydrogen_Atom_Count	7
1929	Hydrogen_Bond_Donor_Count	1
11234350	Hydrogen_Bond_Acceptor_Count	6
156963480	XLogP3-AA	1.8
44310436	Covalent_Unit_Count	1
97390	XLogP3-AA	0.2
5107	Non-hydrogen_Atom_Count	34
4662	Molecular_Weight	833.4
157903531	Undefined_Bond_Stereo_Count	0
124921374	Covalent_Unit_Count	1
10402760	XLogP3-AA	2
23247721	Covalent_Unit_Count	1
13062961	Structure_Complexity	79.3
32804	Rotatable_Bond_Count	0
21401558	Defined_Atom_Stereo_Count	0
444972	Covalent_Unit_Count	1
129789506	Structure_Complexity	126
21023678	Rotatable_Bond_Count	0
627458	Hydrogen_Bond_Acceptor_Count	2
11388	Total_Formal_Charge	0
1251	Defined_Atom_Stereo_Count	0
23674098	Undefined_Atom_Stereo_Count	0
9868902	TPSA	58.1
54418364	TPSA	26.3
59907918	Exact_Mass	342.11621151
3003191	Total_Formal_Charge	0
13659	Defined_Bond_Stereo_Count	0
443040	Defined_Bond_Stereo_Count	0
2795	Hydrogen_Bond_Acceptor_Count	2
857	Total_Formal_Charge	0
3267139	Covalent_Unit_Count	1
197083	Structure_Complexity	481
23480	Hydrogen_Bond_Donor_Count	1
13374861	Hydrogen_Bond_Donor_Count	1
5460094	Undefined_Atom_Stereo_Count	1
16224058	Hydrogen_Bond_Donor_Count	2
74616	Isotope_Atom_Count	0
21185399	Rotatable_Bond_Count	1
45351	Molecular_Weight	277.79
22234	Isotope_Atom_Count	0
13751	Defined_Atom_Stereo_Count	0
28145931	Non-hydrogen_Atom_Count	27
5413034	XLogP3-AA	2.4
59445439	Exact_Mass	180.06338810
23216963	Structure_Complexity	90.4
129760051	Rotatable_Bond_Count	40
14179013	Structure_Complexity	1120
59292	Undefined_Bond_Stereo_Count	0
2058	Isotope_Atom_Count	0
12598	Tautomer_Count	2
122517441	Covalent_Unit_Count	1
16932	Hydrogen_Bond_Donor_Count	0
556684	Structure_Complexity	136
17865	TPSA	9.2
2157	Defined_Atom_Stereo_Count	0
163050674	Hydrogen_Bond_Donor_Count	1
6324604	Mono_Isotopic_Weight	457.1880675
571982	XLogP3-AA	6.1
136069	Exact_Mass	130.053098200
14975831	Exact_Mass	75.068413911
449013	Tautomer_Count	2
5388983	Rotatable_Bond_Count	10
54144657	Non-hydrogen_Atom_Count	7
71237	Hydrogen_Bond_Acceptor_Count	8
99681	Rotatable_Bond_Count	2
10476254	Non-hydrogen_Atom_Count	27
2127	Covalent_Unit_Count	1
62695	Tautomer_Count	1
23635314	Defined_Atom_Stereo_Count	0
54758501	Structure_Complexity	712
138402870	Non-hydrogen_Atom_Count	77
10113	Covalent_Unit_Count	1
28871	XLogP3	5.2
11274968	TPSA	17.1
153939682	Defined_Bond_Stereo_Count	0
11442891	Exact_Mass	474.23793884
10788	Hydrogen_Bond_Donor_Count	0
68081017	Defined_Atom_Stereo_Count	0
91620	Undefined_Atom_Stereo_Count	0
441276	Isotope_Atom_Count	0
76140	Hydrogen_Bond_Donor_Count	0
104416	Tautomer_Count	1
91231076	Isotope_Atom_Count	0
118797622	Non-hydrogen_Atom_Count	12
38768	Rotatable_Bond_Count	6
10197612	Isotope_Atom_Count	0
45357	Structure_Complexity	201
20653386	Mono_Isotopic_Weight	108.057514874
6471	Isotope_Atom_Count	0
101656013	TPSA	170
5288998	Mono_Isotopic_Weight	237.06372245
6321413	Rotatable_Bond_Count	7
57607	Defined_Bond_Stereo_Count	0
47455	Hydrogen_Bond_Acceptor_Count	5
71311337	Hydrogen_Bond_Donor_Count	1
67811115	Molecular_Weight	114.14
19013934	Defined_Atom_Stereo_Count	0
12399560	Isotope_Atom_Count	0
122	Total_Formal_Charge	0
130881	Covalent_Unit_Count	1
6439420	Exact_Mass	428.14396435
441374	Molecular_Weight	582.6
5282401	Defined_Atom_Stereo_Count	0
23673837	Defined_Bond_Stereo_Count	0
14338	Tautomer_Count	1
7323	Total_Formal_Charge	0
10614	Covalent_Unit_Count	1
56638112	XLogP3-AA	2.9
19471	XLogP3-AA	0.1
12291486	Hydrogen_Bond_Donor_Count	0
73361	Total_Formal_Charge	0
130443213	Defined_Bond_Stereo_Count	0
3648	Undefined_Atom_Stereo_Count	4
5577	TPSA	69.3
51397515	Defined_Atom_Stereo_Count	2
516356	Structure_Complexity	904
5288631	Total_Formal_Charge	0
36978	Structure_Complexity	340
37993	TPSA	70
4402648	Undefined_Bond_Stereo_Count	0
11374717	Hydrogen_Bond_Donor_Count	1
41124	Hydrogen_Bond_Donor_Count	0
54681902	Covalent_Unit_Count	1
57978852	Mono_Isotopic_Weight	115.063328530
136459	Rotatable_Bond_Count	0
101534	TPSA	75.3
77990	Molecular_Weight	400.4
12318317	Hydrogen_Bond_Donor_Count	0
932	Exact_Mass	272.06847348
21058	Total_Formal_Charge	0
135923569	Hydrogen_Bond_Donor_Count	2
1549065	Structure_Complexity	426
62253	Hydrogen_Bond_Donor_Count	0
556872	Exact_Mass	112.088815002
25945	Defined_Bond_Stereo_Count	0
964856	Rotatable_Bond_Count	3
10476254	Exact_Mass	402.0553392
21537140	Isotope_Atom_Count	0
11768718	Mono_Isotopic_Weight	147.03539970
8241	TPSA	62.3
14251035	Undefined_Bond_Stereo_Count	0
10103118	Defined_Atom_Stereo_Count	0
640308	Tautomer_Count	3
124220089	XLogP3-AA	5.1
22648408	Hydrogen_Bond_Donor_Count	2
801111	Hydrogen_Bond_Acceptor_Count	5
11707110	Rotatable_Bond_Count	5
449242	Mono_Isotopic_Weight	360.07225250
135407408	Undefined_Bond_Stereo_Count	0
94834	Tautomer_Count	1
2786	Covalent_Unit_Count	1
9226	Covalent_Unit_Count	1
9930	Covalent_Unit_Count	2
18713388	Non-hydrogen_Atom_Count	8
122077	Rotatable_Bond_Count	5
135445749	Exact_Mass	503.15052004
13543206	Non-hydrogen_Atom_Count	6
11154711	Total_Formal_Charge	0
12088	Covalent_Unit_Count	1
10928	Defined_Bond_Stereo_Count	0
59508	Exact_Mass	390.34843804
59296041	Rotatable_Bond_Count	8
44526	Hydrogen_Bond_Donor_Count	0
2762809	Isotope_Atom_Count	0
18521	Defined_Bond_Stereo_Count	0
5379102	TPSA	29.1
5284421	TPSA	26.3
108157	Molecular_Weight	524.7
4585667	Tautomer_Count	3
129317883	Covalent_Unit_Count	1
10844548	Structure_Complexity	77.7
3249	Covalent_Unit_Count	1
2737701	Structure_Complexity	76.8
9547096	Rotatable_Bond_Count	44
30844	Total_Formal_Charge	0
705145	Molecular_Weight	349.4
12508	Molecular_Weight	116.16
142059572	Defined_Bond_Stereo_Count	0
36303	XLogP3-AA	3.2
11084068	Tautomer_Count	1
53318420	Mono_Isotopic_Weight	434.11227030
41583	Hydrogen_Bond_Acceptor_Count	4
5715107	Defined_Atom_Stereo_Count	0
21041053	Hydrogen_Bond_Donor_Count	0
10079	Molecular_Weight	467.0
96457	Hydrogen_Bond_Acceptor_Count	3
71460947	Undefined_Atom_Stereo_Count	0
44563146	Total_Formal_Charge	0
8945	Molecular_Weight	204.13
134695356	TPSA	194
45356876	Hydrogen_Bond_Donor_Count	1
11192	Hydrogen_Bond_Acceptor_Count	4
140047825	Total_Formal_Charge	0
85874	TPSA	44.5
548945	XLogP3-AA	3.5
11246	Covalent_Unit_Count	2
86811257	Exact_Mass	114.068079557
135802074	Defined_Bond_Stereo_Count	0
45120354	Non-hydrogen_Atom_Count	8
146868632	TPSA	29.5
13807316	Exact_Mass	114.068079557
86439	Undefined_Atom_Stereo_Count	0
13762	Structure_Complexity	216
92563	Defined_Bond_Stereo_Count	0
51346588	Rotatable_Bond_Count	0
5281080	TPSA	145
17750962	Covalent_Unit_Count	2
16091096	Non-hydrogen_Atom_Count	46
1182	Isotope_Atom_Count	0
6943	Defined_Atom_Stereo_Count	0
11480819	Hydrogen_Bond_Acceptor_Count	6
3086308	Isotope_Atom_Count	0
8773	Hydrogen_Bond_Acceptor_Count	9
80487728	Defined_Atom_Stereo_Count	0
5895404	Tautomer_Count	52
418940	Defined_Bond_Stereo_Count	0
6604557	Defined_Bond_Stereo_Count	0
142994149	Undefined_Atom_Stereo_Count	0
71311215	XLogP3-AA	0.4
80009	TPSA	21.9
13315542	Hydrogen_Bond_Donor_Count	0
5374274	Defined_Atom_Stereo_Count	0
9416	Hydrogen_Bond_Acceptor_Count	3
22335779	Undefined_Atom_Stereo_Count	2
25217475	Hydrogen_Bond_Donor_Count	7
14675	Defined_Atom_Stereo_Count	0
7881	Mono_Isotopic_Weight	210.10209608
23686132	Defined_Atom_Stereo_Count	0
5463081	Rotatable_Bond_Count	0
129851390	XLogP3-AA	1.4
18946	Defined_Atom_Stereo_Count	0
9941306	Hydrogen_Bond_Donor_Count	12
13573329	Undefined_Atom_Stereo_Count	2
24744154	Defined_Bond_Stereo_Count	0
77533	Structure_Complexity	201
30373	Rotatable_Bond_Count	5
64973730	Rotatable_Bond_Count	3
87380	Mono_Isotopic_Weight	240.133427172
17898	Undefined_Atom_Stereo_Count	0
4871	Rotatable_Bond_Count	3
23675341	Molecular_Weight	477.5
23039782	Covalent_Unit_Count	1
11029805	Isotope_Atom_Count	0
12263	Covalent_Unit_Count	1
6994151	Hydrogen_Bond_Acceptor_Count	2
14029616	Molecular_Weight	168.28
154058	Defined_Atom_Stereo_Count	2
164551	Exact_Mass	288.05936535
154730852	Structure_Complexity	1230
1549062	Non-hydrogen_Atom_Count	16
52361	Hydrogen_Bond_Acceptor_Count	3
61057	Defined_Bond_Stereo_Count	0
57397762	Undefined_Atom_Stereo_Count	0
12594656	Covalent_Unit_Count	1
119574	TPSA	67.6
475930	TPSA	99.1
154803918	Defined_Atom_Stereo_Count	0
5712574	Total_Formal_Charge	0
12151528	Molecular_Weight	97.12
102318232	Hydrogen_Bond_Donor_Count	1
23981	Rotatable_Bond_Count	0
6538985	Total_Formal_Charge	0
237766	Non-hydrogen_Atom_Count	19
20250	Structure_Complexity	172
15038	Structure_Complexity	383
25015463	Structure_Complexity	801
6914	Defined_Bond_Stereo_Count	0
444008	Structure_Complexity	636
123	Hydrogen_Bond_Donor_Count	3
13758360	XLogP3-AA	0.9
2907	Non-hydrogen_Atom_Count	14
219833	Rotatable_Bond_Count	1
61341	TPSA	30.2
6975516	Covalent_Unit_Count	1
26923	Rotatable_Bond_Count	3
59729233	Non-hydrogen_Atom_Count	8
6436173	Structure_Complexity	1590
102592515	Covalent_Unit_Count	1
20394920	Exact_Mass	115.063328530
5317111	Structure_Complexity	457
899	Undefined_Atom_Stereo_Count	5
56663314	Mono_Isotopic_Weight	511.1290284
43834	Tautomer_Count	1
38982	Tautomer_Count	1
1893	Tautomer_Count	2
4722	TPSA	69.9
1502	Total_Formal_Charge	1
7510	Defined_Atom_Stereo_Count	0
21670561	Defined_Atom_Stereo_Count	0
24829330	Hydrogen_Bond_Donor_Count	3
5905	Total_Formal_Charge	0
1437837	Total_Formal_Charge	0
158144361	Non-hydrogen_Atom_Count	7
5401	XLogP3	1.4
19892314	Defined_Atom_Stereo_Count	0
25007064	Isotope_Atom_Count	0
12502857	Undefined_Atom_Stereo_Count	0
6220	Structure_Complexity	712
13356397	Total_Formal_Charge	0
25142699	Covalent_Unit_Count	1
139079010	Isotope_Atom_Count	0
153884978	Rotatable_Bond_Count	2
76658	TPSA	66.8
10448938	Rotatable_Bond_Count	4
6918013	Non-hydrogen_Atom_Count	52
5284402	Defined_Atom_Stereo_Count	0
65914	Tautomer_Count	4
6923346	XLogP3	1.7
12200971	Mono_Isotopic_Weight	117.078978594
8427	Mono_Isotopic_Weight	233.9850495
53357478	TPSA	103
60751	Total_Formal_Charge	0
6431771	Undefined_Atom_Stereo_Count	0
42609799	Molecular_Weight	764.5
8408	Non-hydrogen_Atom_Count	15
5076	Exact_Mass	720.31276100
5281437	Isotope_Atom_Count	0
17549	Isotope_Atom_Count	0
1119	Exact_Mass	63.96190041
337100	Isotope_Atom_Count	0
165754425	Covalent_Unit_Count	1
424893	Exact_Mass	625.24334160
53707229	Defined_Bond_Stereo_Count	0
2051	Undefined_Bond_Stereo_Count	0
8204	Covalent_Unit_Count	1
51711	Isotope_Atom_Count	0
248934	Isotope_Atom_Count	0
12264	Undefined_Bond_Stereo_Count	0
115017	Hydrogen_Bond_Acceptor_Count	0
10082421	Rotatable_Bond_Count	7
53384934	Mono_Isotopic_Weight	665.30474055
5881	Undefined_Atom_Stereo_Count	0
67482131	XLogP3-AA	1.2
65649	Non-hydrogen_Atom_Count	12
37632	Total_Formal_Charge	0
599225	Defined_Bond_Stereo_Count	0
12231382	Undefined_Bond_Stereo_Count	0
18314227	Mono_Isotopic_Weight	99.104799419
707	TPSA	20.2
8948	Hydrogen_Bond_Acceptor_Count	3
75531	Defined_Atom_Stereo_Count	0
687044	Defined_Atom_Stereo_Count	1
54786	Non-hydrogen_Atom_Count	28
85573568	Mono_Isotopic_Weight	97.063997236
79142	Defined_Bond_Stereo_Count	0
66644	Defined_Atom_Stereo_Count	0
27918	Mono_Isotopic_Weight	274.08711472
23277870	Mono_Isotopic_Weight	117.078978594
12751986	Defined_Bond_Stereo_Count	0
56962215	Defined_Bond_Stereo_Count	0
7115	Total_Formal_Charge	0
6777	Hydrogen_Bond_Acceptor_Count	4
71309908	Hydrogen_Bond_Acceptor_Count	6
12730529	Hydrogen_Bond_Donor_Count	1
76324338	Non-hydrogen_Atom_Count	59
10799	Mono_Isotopic_Weight	348.066641
135938	Hydrogen_Bond_Donor_Count	1
65894	Total_Formal_Charge	0
521486	Covalent_Unit_Count	1
11062335	Covalent_Unit_Count	1
12285877	Non-hydrogen_Atom_Count	12
70163	Defined_Bond_Stereo_Count	0
10161315	Defined_Atom_Stereo_Count	0
47517	Non-hydrogen_Atom_Count	18
14843	Structure_Complexity	502
10659	XLogP3-AA	2.7
12513438	Defined_Atom_Stereo_Count	0
138921	Defined_Atom_Stereo_Count	0
66811197	Hydrogen_Bond_Acceptor_Count	10
90397060	Rotatable_Bond_Count	15
118209838	Isotope_Atom_Count	0
35781	Molecular_Weight	192.21
44668	Non-hydrogen_Atom_Count	17
3033817	Undefined_Bond_Stereo_Count	0
12263095	Undefined_Atom_Stereo_Count	0
178925	Molecular_Weight	193.24
65815658	Exact_Mass	115.026943022
9656	Defined_Bond_Stereo_Count	0
9962	Structure_Complexity	106
68539	Defined_Atom_Stereo_Count	0
20689	Covalent_Unit_Count	1
688363	Exact_Mass	238.08412354
5374527	Defined_Atom_Stereo_Count	0
12184591	Undefined_Atom_Stereo_Count	0
67522	Total_Formal_Charge	0
12031310	Defined_Bond_Stereo_Count	0
80837	Hydrogen_Bond_Donor_Count	2
74068	XLogP3-AA	2.6
6983	Undefined_Atom_Stereo_Count	0
88553883	Structure_Complexity	108
586156	Isotope_Atom_Count	0
8859	Exact_Mass	102.05416083
741	Hydrogen_Bond_Donor_Count	10
7083	Non-hydrogen_Atom_Count	20
157684	Tautomer_Count	1
65786	TPSA	58.6
135403828	Mono_Isotopic_Weight	473.16589610
5195	Isotope_Atom_Count	0
8654	Isotope_Atom_Count	0
84531	Undefined_Atom_Stereo_Count	0
3718	TPSA	57.6
55264361	Total_Formal_Charge	0
6335986	Structure_Complexity	744
580481	Isotope_Atom_Count	0
71511839	TPSA	618
6677	Defined_Bond_Stereo_Count	0
24748573	Defined_Atom_Stereo_Count	0
5035	TPSA	98.2
8189	Rotatable_Bond_Count	9
49865963	Hydrogen_Bond_Donor_Count	4
14057	Undefined_Atom_Stereo_Count	0
118797420	Rotatable_Bond_Count	1
44249711	Defined_Atom_Stereo_Count	0
53912836	Exact_Mass	99.043261792
3938668	Structure_Complexity	283
15951416	Mono_Isotopic_Weight	342.14806121
712441	Rotatable_Bond_Count	1
24737	Non-hydrogen_Atom_Count	25
6605	Exact_Mass	454.1313794
68201	Molecular_Weight	225.35
24309	Defined_Bond_Stereo_Count	0
74563	Covalent_Unit_Count	1
66603137	Undefined_Atom_Stereo_Count	0
57505392	Defined_Bond_Stereo_Count	0
6918013	Molecular_Weight	739.0
4630253	Molecular_Weight	408.9
4641	Defined_Bond_Stereo_Count	0
85025	TPSA	3.9
7128	Mono_Isotopic_Weight	178.099379685
65600	Total_Formal_Charge	0
14194342	XLogP3-AA	0.5
25246317	Exact_Mass	1092.64306214
58387740	Rotatable_Bond_Count	3
40473193	TPSA	147
6213	Defined_Atom_Stereo_Count	0
123134032	Undefined_Bond_Stereo_Count	0
20519788	Covalent_Unit_Count	1
2722	TPSA	33.1
57246909	Total_Formal_Charge	0
67000	Structure_Complexity	212
12576852	Structure_Complexity	74.4
54306059	Total_Formal_Charge	0
22157549	Hydrogen_Bond_Donor_Count	0
59277765	Non-hydrogen_Atom_Count	7
20728	Exact_Mass	416.25627424
34633	Rotatable_Bond_Count	6
70676631	Covalent_Unit_Count	3
43454	Structure_Complexity	365
49865920	TPSA	55.6
9934492	TPSA	213
135476260	Hydrogen_Bond_Donor_Count	8
18555	Tautomer_Count	1
68547	Hydrogen_Bond_Acceptor_Count	5
21639832	Molecular_Weight	101.15
12820045	TPSA	20.2
3155	Rotatable_Bond_Count	3
55289911	Defined_Bond_Stereo_Count	0
73364	Isotope_Atom_Count	0
46782362	Exact_Mass	446.13339966
10205	Total_Formal_Charge	0
70580528	Structure_Complexity	773
123642	Tautomer_Count	1
25195294	Exact_Mass	406.19059473
59864	Hydrogen_Bond_Donor_Count	0
9552077	Isotope_Atom_Count	0
136115428	Rotatable_Bond_Count	1
421	Covalent_Unit_Count	1
5681	Molecular_Weight	340.9
23170707	Mono_Isotopic_Weight	112.125200510
129856110	Hydrogen_Bond_Donor_Count	4
54136480	Rotatable_Bond_Count	2
84420187	Molecular_Weight	192.17
11725766	TPSA	46.3
18198	Hydrogen_Bond_Acceptor_Count	2
1385867	Defined_Atom_Stereo_Count	0
65464	Structure_Complexity	344
15301	Isotope_Atom_Count	0
54335228	Defined_Atom_Stereo_Count	0
19063360	Isotope_Atom_Count	0
13238893	Hydrogen_Bond_Donor_Count	0
12787245	Non-hydrogen_Atom_Count	7
25975	Rotatable_Bond_Count	0
20543	Molecular_Weight	457.7
153874923	Mono_Isotopic_Weight	113.084063974
9354	Hydrogen_Bond_Donor_Count	4
53249784	Exact_Mass	205.11142153
37459	Non-hydrogen_Atom_Count	27
497380	Defined_Atom_Stereo_Count	1
6433176	Undefined_Bond_Stereo_Count	0
151257062	Defined_Atom_Stereo_Count	0
72760	Undefined_Bond_Stereo_Count	0
3609	Undefined_Bond_Stereo_Count	0
550642	Total_Formal_Charge	0
9929430	Total_Formal_Charge	0
33133	Hydrogen_Bond_Acceptor_Count	4
56609761	Defined_Atom_Stereo_Count	0
687044	Defined_Bond_Stereo_Count	0
8032	Undefined_Bond_Stereo_Count	0
222714	Undefined_Atom_Stereo_Count	1
205954	Non-hydrogen_Atom_Count	37
32051	Structure_Complexity	0
5319765	Hydrogen_Bond_Acceptor_Count	3
36906	Total_Formal_Charge	0
16211656	Total_Formal_Charge	0
40841	Covalent_Unit_Count	1
14194343	Covalent_Unit_Count	1
254	Covalent_Unit_Count	1
7647	Non-hydrogen_Atom_Count	14
30410	Isotope_Atom_Count	0
66828839	Undefined_Bond_Stereo_Count	0
25271790	Rotatable_Bond_Count	7
12682631	Exact_Mass	113.058911855
101640759	Defined_Atom_Stereo_Count	0
9826451	Covalent_Unit_Count	1
9854489	Covalent_Unit_Count	1
15277	Undefined_Atom_Stereo_Count	0
5353355	Mono_Isotopic_Weight	318.21949481
49868036	Rotatable_Bond_Count	26
9961878	Defined_Bond_Stereo_Count	0
675	Non-hydrogen_Atom_Count	11
12095999	Covalent_Unit_Count	1
5282176	Defined_Bond_Stereo_Count	3
7265	Structure_Complexity	99.1
11895	Molecular_Weight	170.59
78352	Undefined_Atom_Stereo_Count	0
44393	Tautomer_Count	1
64968	Defined_Bond_Stereo_Count	0
62232603	Total_Formal_Charge	0
406870	Isotope_Atom_Count	0
34468	Hydrogen_Bond_Acceptor_Count	9
11029761	Rotatable_Bond_Count	1
644275	Rotatable_Bond_Count	79
5288269	Total_Formal_Charge	0
16834	Total_Formal_Charge	0
21516003	Undefined_Bond_Stereo_Count	0
91469693	Covalent_Unit_Count	1
87927	Rotatable_Bond_Count	4
114129	Rotatable_Bond_Count	4
10100	Structure_Complexity	397
71455217	Molecular_Weight	526.5
4412	Exact_Mass	743.07545344
20226552	Rotatable_Bond_Count	0
61868	Isotope_Atom_Count	0
12285878	Structure_Complexity	151
11197252	Defined_Bond_Stereo_Count	0
3073763	Molecular_Weight	208.69
10402760	Defined_Bond_Stereo_Count	0
67284	Undefined_Bond_Stereo_Count	0
12309521	Exact_Mass	324.183778013
544380	Defined_Bond_Stereo_Count	0
137278	Rotatable_Bond_Count	0
60144418	Defined_Atom_Stereo_Count	0
17946	Non-hydrogen_Atom_Count	11
254	Structure_Complexity	175
13764	Molecular_Weight	275.22
49714	Tautomer_Count	1
77763	Exact_Mass	154.135765193
14097	Undefined_Bond_Stereo_Count	0
6435824	Defined_Atom_Stereo_Count	0
441407	Molecular_Weight	442.4
7812	Hydrogen_Bond_Donor_Count	1
96281	Structure_Complexity	550
57734486	Exact_Mass	357.14841808
14417041	Undefined_Atom_Stereo_Count	1
13452165	Non-hydrogen_Atom_Count	16
96604	Mono_Isotopic_Weight	296.13069707
524210	Undefined_Atom_Stereo_Count	0
8944	Mono_Isotopic_Weight	352.215078140
50225	Undefined_Bond_Stereo_Count	0
36020	Covalent_Unit_Count	1
122517441	Molecular_Weight	270.32
94948	Undefined_Atom_Stereo_Count	0
123348667	Covalent_Unit_Count	1
102730	Rotatable_Bond_Count	2
11120	Structure_Complexity	92.6
77974	Defined_Bond_Stereo_Count	0
74320	Exact_Mass	412.84097
36604	TPSA	12
675239	Undefined_Atom_Stereo_Count	0
85531465	XLogP3-AA	0.1
8786	Hydrogen_Bond_Acceptor_Count	2
12303	Molecular_Weight	102.14
81184	TPSA	15.6
5783	Non-hydrogen_Atom_Count	12
5702162	Non-hydrogen_Atom_Count	25
78723	Rotatable_Bond_Count	3
410875	XLogP3-AA	3.5
7510	Hydrogen_Bond_Acceptor_Count	2
406167	Covalent_Unit_Count	1
49721	Hydrogen_Bond_Donor_Count	0
11618	Molecular_Weight	100.16
69512	Defined_Atom_Stereo_Count	0
10953798	Hydrogen_Bond_Donor_Count	0
10333641	Exact_Mass	275.93957
133612130	Rotatable_Bond_Count	44
133008	Hydrogen_Bond_Acceptor_Count	3
2131	Defined_Atom_Stereo_Count	0
704232	Defined_Atom_Stereo_Count	0
12311253	Defined_Bond_Stereo_Count	0
71593	Molecular_Weight	149.15
21872570	Undefined_Bond_Stereo_Count	0
60196362	Molecular_Weight	531.6
5361919	Total_Formal_Charge	0
46882191	Structure_Complexity	560
451239	Undefined_Bond_Stereo_Count	0
8600	Exact_Mass	270.07395278
21662383	Hydrogen_Bond_Acceptor_Count	1
24896135	Covalent_Unit_Count	1
20633892	Mono_Isotopic_Weight	112.088815002
12797557	Total_Formal_Charge	0
27287	Tautomer_Count	1
565589	Defined_Atom_Stereo_Count	0
14063315	Hydrogen_Bond_Donor_Count	0
6367	Structure_Complexity	33
10893439	Undefined_Bond_Stereo_Count	0
16682983	Molecular_Weight	351.75
67233953	Isotope_Atom_Count	0
5801	Tautomer_Count	7
13397	Defined_Bond_Stereo_Count	0
5359541	Structure_Complexity	25.7
82187	Isotope_Atom_Count	0
23284	Total_Formal_Charge	0
148708	Molecular_Weight	260.08
20316	Hydrogen_Bond_Donor_Count	0
107654	Total_Formal_Charge	0
4419	Molecular_Weight	357.4
54178371	Rotatable_Bond_Count	1
14010333	Hydrogen_Bond_Acceptor_Count	4
153812620	Undefined_Bond_Stereo_Count	0
11954310	Structure_Complexity	807
8036	Rotatable_Bond_Count	3
16123056	TPSA	101
57735	Mono_Isotopic_Weight	294.19434270
123816	Undefined_Bond_Stereo_Count	1
4278	Hydrogen_Bond_Acceptor_Count	2
18506437	Undefined_Bond_Stereo_Count	0
9954410	Isotope_Atom_Count	0
25791439	Hydrogen_Bond_Donor_Count	5
91166883	Structure_Complexity	124
118086727	Total_Formal_Charge	0
6215	Total_Formal_Charge	0
10240772	Molecular_Weight	101.10
3081905	Non-hydrogen_Atom_Count	96
68809	Undefined_Bond_Stereo_Count	0
118701016	Structure_Complexity	3150
80783	Covalent_Unit_Count	1
5280497	Non-hydrogen_Atom_Count	25
668649	Undefined_Atom_Stereo_Count	0
15438	Covalent_Unit_Count	1
76583	Total_Formal_Charge	0
64628	Tautomer_Count	3
77532	Undefined_Atom_Stereo_Count	0
135398733	Covalent_Unit_Count	1
683563	Hydrogen_Bond_Donor_Count	1
8298	Exact_Mass	142.135765193
9853053	Undefined_Bond_Stereo_Count	0
70273609	Covalent_Unit_Count	1
135532964	Undefined_Bond_Stereo_Count	0
160051	Rotatable_Bond_Count	22
114751	Covalent_Unit_Count	1
162747	TPSA	26.3
67128140	Non-hydrogen_Atom_Count	8
129784240	Exact_Mass	110.02286070
5271566	Covalent_Unit_Count	1
6604438	Hydrogen_Bond_Donor_Count	4
8954	Hydrogen_Bond_Donor_Count	2
71916	Hydrogen_Bond_Donor_Count	3
84614	XLogP3-AA	3
1201551	Tautomer_Count	1
118264	Exact_Mass	266.0822054
5363685	Molecular_Weight	206.28
96821	Total_Formal_Charge	0
20735704	Defined_Bond_Stereo_Count	0
13380150	Defined_Atom_Stereo_Count	0
534439	TPSA	9.2
10341154	Undefined_Bond_Stereo_Count	0
2406	Rotatable_Bond_Count	2
19690565	Total_Formal_Charge	0
65	Molecular_Weight	179.00
127000832	Total_Formal_Charge	0
827902	Hydrogen_Bond_Acceptor_Count	3
14266	Hydrogen_Bond_Donor_Count	0
86609	Covalent_Unit_Count	1
54688683	Non-hydrogen_Atom_Count	45
9868	Non-hydrogen_Atom_Count	5
9887812	Total_Formal_Charge	0
10197625	Exact_Mass	89.084063974
57265913	Molecular_Weight	112.17
70075	TPSA	29.4
53325875	Covalent_Unit_Count	1
23121765	Defined_Atom_Stereo_Count	0
1367	Covalent_Unit_Count	1
3768578	Isotope_Atom_Count	0
31225	XLogP3	2.8
74680	Defined_Atom_Stereo_Count	0
10034579	Undefined_Bond_Stereo_Count	0
6961	TPSA	149
6369388	Rotatable_Bond_Count	3
54186	Non-hydrogen_Atom_Count	24
11661	Defined_Atom_Stereo_Count	0
44129647	Defined_Bond_Stereo_Count	0
6474640	Hydrogen_Bond_Donor_Count	7
57399440	Total_Formal_Charge	0
23269081	TPSA	0
17344	Molecular_Weight	257.5
14843143	Isotope_Atom_Count	0
3608	Undefined_Atom_Stereo_Count	1
452975	Hydrogen_Bond_Acceptor_Count	22
21187633	Isotope_Atom_Count	0
6552009	Defined_Bond_Stereo_Count	0
440277	Defined_Bond_Stereo_Count	0
12599713	Undefined_Atom_Stereo_Count	2
54687420	Defined_Atom_Stereo_Count	0
53808	Undefined_Atom_Stereo_Count	0
11890	Undefined_Atom_Stereo_Count	0
21107383	XLogP3-AA	3.5
53448504	Defined_Atom_Stereo_Count	0
71583157	Hydrogen_Bond_Acceptor_Count	6
6605	Hydrogen_Bond_Acceptor_Count	5
9133	Mono_Isotopic_Weight	203.073499291
134601	Undefined_Bond_Stereo_Count	0
12651160	Defined_Bond_Stereo_Count	0
2422	Molecular_Weight	340.4
8878	Non-hydrogen_Atom_Count	12
20297545	Isotope_Atom_Count	0
74570	Hydrogen_Bond_Donor_Count	1
42051894	Non-hydrogen_Atom_Count	23
77737505	Undefined_Bond_Stereo_Count	0
46700744	Hydrogen_Bond_Donor_Count	4
48558	Undefined_Bond_Stereo_Count	0
8185	Molecular_Weight	170.29
62705859	Non-hydrogen_Atom_Count	33
78423090	Structure_Complexity	291
12729	Undefined_Atom_Stereo_Count	0
61896	XLogP3-AA	3
26111	Isotope_Atom_Count	0
38756	Molecular_Weight	114.19
54152337	Hydrogen_Bond_Donor_Count	4
21014990	Defined_Bond_Stereo_Count	0
153683405	Covalent_Unit_Count	1
135509079	Undefined_Bond_Stereo_Count	0
7670	Defined_Bond_Stereo_Count	0
5280954	Tautomer_Count	1
752860	Defined_Bond_Stereo_Count	0
33599	Defined_Bond_Stereo_Count	0
43725	Undefined_Atom_Stereo_Count	0
9868041	Undefined_Bond_Stereo_Count	0
3622	Exact_Mass	290.17561863
95380	Undefined_Atom_Stereo_Count	1
30214	Hydrogen_Bond_Acceptor_Count	2
23324969	Molecular_Weight	94.15
22725651	Structure_Complexity	119
439791	Undefined_Bond_Stereo_Count	0
53787407	Structure_Complexity	65.1
74086836	Rotatable_Bond_Count	0
132940892	Exact_Mass	555.27517176
24739911	Defined_Atom_Stereo_Count	0
38853	Rotatable_Bond_Count	3
18506440	Rotatable_Bond_Count	3
15914	Rotatable_Bond_Count	1
6950	Defined_Atom_Stereo_Count	0
26249	XLogP3	4.6
139356	Undefined_Atom_Stereo_Count	1
66825	Exact_Mass	188.02556330
50295	Hydrogen_Bond_Acceptor_Count	8
88937798	XLogP3-AA	0.4
135414248	Hydrogen_Bond_Acceptor_Count	5
102242	Tautomer_Count	2
12698	Isotope_Atom_Count	0
6431	TPSA	0
69162577	Hydrogen_Bond_Acceptor_Count	3
10811	Defined_Atom_Stereo_Count	0
79828	Exact_Mass	157.93523489
163872484	TPSA	279
9891637	Non-hydrogen_Atom_Count	36
524667	XLogP3-AA	3.8
162649852	Hydrogen_Bond_Acceptor_Count	27
5312153	Tautomer_Count	6
4811	Defined_Bond_Stereo_Count	0
22004078	TPSA	38.4
448965	Undefined_Atom_Stereo_Count	0
71307528	Undefined_Atom_Stereo_Count	1
138148	Molecular_Weight	100.16
33258	Isotope_Atom_Count	0
12609719	Defined_Bond_Stereo_Count	0
19962876	Defined_Atom_Stereo_Count	0
13318273	Hydrogen_Bond_Donor_Count	0
12978170	Exact_Mass	96.093900383
3077	Structure_Complexity	103
135435111	Rotatable_Bond_Count	2
13474789	Defined_Atom_Stereo_Count	0
6638	Undefined_Atom_Stereo_Count	0
55652	Mono_Isotopic_Weight	424.1684336
8917	Covalent_Unit_Count	1
102959	Molecular_Weight	182.17
147594753	Total_Formal_Charge	0
403646	Hydrogen_Bond_Acceptor_Count	3
18198	Mono_Isotopic_Weight	114.068079557
57280823	Molecular_Weight	115.16
518234	Hydrogen_Bond_Acceptor_Count	1
71300725	Hydrogen_Bond_Acceptor_Count	48
24965990	Tautomer_Count	1
129872373	XLogP3-AA	0.2
88051007	Defined_Bond_Stereo_Count	0
9914506	Structure_Complexity	730
413505	Hydrogen_Bond_Acceptor_Count	4
5018304	Undefined_Bond_Stereo_Count	0
21998683	Structure_Complexity	80.2
23397	Non-hydrogen_Atom_Count	14
16211113	TPSA	71.7
23574562	Hydrogen_Bond_Acceptor_Count	1
441345	Non-hydrogen_Atom_Count	30
611887	Molecular_Weight	229.27
28951068	Mono_Isotopic_Weight	111.032028402
5320191	Molecular_Weight	140.22
59119	Mono_Isotopic_Weight	330.10544872
5282548	Total_Formal_Charge	0
9012	Hydrogen_Bond_Donor_Count	0
14917	Defined_Bond_Stereo_Count	0
39688	Hydrogen_Bond_Acceptor_Count	6
10868	Total_Formal_Charge	0
6433272	Undefined_Bond_Stereo_Count	0
148763531	Mono_Isotopic_Weight	107.048347172
71544786	Exact_Mass	688.22492620
83167	TPSA	132
453	Isotope_Atom_Count	0
129852933	Non-hydrogen_Atom_Count	19
154225133	Mono_Isotopic_Weight	115.026943022
95170	Structure_Complexity	227
30921	Exact_Mass	297.1495567
619	TPSA	98
16351	Undefined_Atom_Stereo_Count	0
7694	Exact_Mass	149.120449483
28931	Undefined_Atom_Stereo_Count	1
31251	Undefined_Bond_Stereo_Count	0
133119249	Defined_Atom_Stereo_Count	5
138114158	Rotatable_Bond_Count	6
6100	Exact_Mass	413.06603
71562	Defined_Bond_Stereo_Count	0
90208	XLogP3-AA	1.1
11178958	Defined_Bond_Stereo_Count	1
5360315	Hydrogen_Bond_Donor_Count	0
53393621	Isotope_Atom_Count	0
87645235	Defined_Atom_Stereo_Count	0
10038849	Hydrogen_Bond_Acceptor_Count	2
141869079	Undefined_Bond_Stereo_Count	0
24977223	XLogP3-AA	0.8
56666736	Defined_Atom_Stereo_Count	4
23665411	Tautomer_Count	15
5289531	Defined_Atom_Stereo_Count	1
32798	Mono_Isotopic_Weight	466.1922300
87490405	Undefined_Atom_Stereo_Count	0
91713	Defined_Atom_Stereo_Count	2
45934213	Mono_Isotopic_Weight	490.0846756
123239	Non-hydrogen_Atom_Count	11
81045	Undefined_Bond_Stereo_Count	0
118388035	Hydrogen_Bond_Donor_Count	2
32438	Mono_Isotopic_Weight	124.088815002
967	Defined_Atom_Stereo_Count	0
21303298	Total_Formal_Charge	0
16363	Hydrogen_Bond_Acceptor_Count	4
716315	Mono_Isotopic_Weight	183.06955672
260809	Rotatable_Bond_Count	0
15950	Undefined_Atom_Stereo_Count	0
53494828	Undefined_Bond_Stereo_Count	0
15827531	XLogP3-AA	2.2
62514	Defined_Atom_Stereo_Count	0
134688510	Molecular_Weight	560.6
15194034	Defined_Bond_Stereo_Count	0
54307	Tautomer_Count	5
11833	Molecular_Weight	160.17
57856017	Mono_Isotopic_Weight	111.068413911
62398142	Hydrogen_Bond_Donor_Count	1
129653419	Isotope_Atom_Count	0
448209	Undefined_Atom_Stereo_Count	0
44345198	Hydrogen_Bond_Acceptor_Count	5
446576	Exact_Mass	193.0519578
36431	Exact_Mass	421.2244530
216261	Covalent_Unit_Count	1
13636	Isotope_Atom_Count	0
10276962	XLogP3-AA	4.3
50894	Structure_Complexity	373
21242473	Non-hydrogen_Atom_Count	7
24780	Structure_Complexity	760
239377	TPSA	29.5
66171	Rotatable_Bond_Count	1
129893562	Rotatable_Bond_Count	26
6092	Tautomer_Count	1
6597	Hydrogen_Bond_Donor_Count	1
3086686	XLogP3-AA	2.6
71674	Molecular_Weight	1404.2
89202746	Total_Formal_Charge	0
162501	Isotope_Atom_Count	0
21031	Hydrogen_Bond_Donor_Count	0
71661882	Defined_Bond_Stereo_Count	0
10449	Tautomer_Count	1
9989226	Non-hydrogen_Atom_Count	5
67713	Rotatable_Bond_Count	1
145994868	Total_Formal_Charge	0
6971097	Defined_Bond_Stereo_Count	0
13662	Hydrogen_Bond_Acceptor_Count	2
59742	Hydrogen_Bond_Acceptor_Count	7
9555	Isotope_Atom_Count	0
20753138	Hydrogen_Bond_Acceptor_Count	0
72950888	Exact_Mass	571.18312413
240817	Hydrogen_Bond_Acceptor_Count	1
220175	Defined_Bond_Stereo_Count	0
11957468	Structure_Complexity	805
57370084	Rotatable_Bond_Count	4
56679112	Molecular_Weight	341.4
5284600	Total_Formal_Charge	0
19935912	Hydrogen_Bond_Acceptor_Count	1
57384039	Defined_Bond_Stereo_Count	0
123600	Covalent_Unit_Count	1
5795731	Defined_Atom_Stereo_Count	0
14325613	Defined_Bond_Stereo_Count	0
5459910	TPSA	38.8
57825223	Mono_Isotopic_Weight	345.147726857
10774305	Covalent_Unit_Count	1
20578	TPSA	38.3
91231076	XLogP3-AA	1.5
50891	Hydrogen_Bond_Acceptor_Count	0
57704514	Structure_Complexity	384
151404	Isotope_Atom_Count	0
28936	TPSA	46.5
12052005	Covalent_Unit_Count	1
129009953	Exact_Mass	213.0750129
18684904	Undefined_Bond_Stereo_Count	0
163698895	Hydrogen_Bond_Donor_Count	2
5282181	Structure_Complexity	643
307982	Hydrogen_Bond_Donor_Count	2
40466988	Hydrogen_Bond_Acceptor_Count	7
13117013	Covalent_Unit_Count	1
29647	Undefined_Bond_Stereo_Count	0
5710148	Tautomer_Count	1
70732	TPSA	33.1
25203624	Exact_Mass	374.1457717
5280953	XLogP3	3.6
10899521	Undefined_Bond_Stereo_Count	0
6917663	Structure_Complexity	268
44224066	TPSA	180
2762921	Total_Formal_Charge	0
5440	Total_Formal_Charge	0
57557625	XLogP3-AA	4
135410702	Hydrogen_Bond_Acceptor_Count	10
11007859	Exact_Mass	114.042927438
60152109	Undefined_Bond_Stereo_Count	0
66384	Undefined_Bond_Stereo_Count	0
9988947	Defined_Atom_Stereo_Count	10
250457	Covalent_Unit_Count	1
120393	XLogP3	2.8
81936	Undefined_Atom_Stereo_Count	0
7677	Defined_Bond_Stereo_Count	0
5228468	Tautomer_Count	1
4041	Hydrogen_Bond_Donor_Count	0
11510567	Total_Formal_Charge	0
135977933	Covalent_Unit_Count	1
8800	Defined_Bond_Stereo_Count	0
12507	Hydrogen_Bond_Donor_Count	0
143061	Structure_Complexity	123
328561	Rotatable_Bond_Count	1
590707	Covalent_Unit_Count	1
5730	Hydrogen_Bond_Donor_Count	3
457035	Defined_Atom_Stereo_Count	0
8491	Hydrogen_Bond_Donor_Count	0
49427	Defined_Bond_Stereo_Count	0
123298319	Defined_Atom_Stereo_Count	0
90472762	Isotope_Atom_Count	2
129893562	Mono_Isotopic_Weight	1347.582715
5484366	Undefined_Atom_Stereo_Count	0
87299033	Hydrogen_Bond_Donor_Count	3
22024814	Molecular_Weight	98.14
3337411	Exact_Mass	388.09921878
12598088	Hydrogen_Bond_Donor_Count	1
10126081	Undefined_Atom_Stereo_Count	0
135456161	Total_Formal_Charge	0
71308751	Hydrogen_Bond_Acceptor_Count	16
24180717	Mono_Isotopic_Weight	412.17869263
123133923	Undefined_Atom_Stereo_Count	0
5324166	Total_Formal_Charge	0
5284	XLogP3-AA	7
19731	Rotatable_Bond_Count	4
3326	TPSA	26.8
3031	Total_Formal_Charge	0
159157	Mono_Isotopic_Weight	208.04054465
131954608	Non-hydrogen_Atom_Count	46
534120	Rotatable_Bond_Count	0
161973	Molecular_Weight	296.5
129866213	Exact_Mass	502.18282
9049	TPSA	80
59799570	Hydrogen_Bond_Donor_Count	3
3819932	Undefined_Atom_Stereo_Count	1
51138321	Defined_Bond_Stereo_Count	0
9948588	Isotope_Atom_Count	0
126456023	Defined_Bond_Stereo_Count	2
3016390	Hydrogen_Bond_Donor_Count	2
10909515	Molecular_Weight	107.11
16683101	Total_Formal_Charge	0
9926791	Total_Formal_Charge	0
20735704	Total_Formal_Charge	0
9834591	TPSA	143
12309462	Structure_Complexity	470
153386900	Structure_Complexity	125
49808	Undefined_Atom_Stereo_Count	4
57077234	Exact_Mass	112.088815002
11717831	Hydrogen_Bond_Donor_Count	2
47462	Mono_Isotopic_Weight	334.9937240
36383	Undefined_Atom_Stereo_Count	0
5326965	Exact_Mass	169.99802494
79323705	Molecular_Weight	112.17
141761	Rotatable_Bond_Count	0
55	Mono_Isotopic_Weight	654.53758147
11398092	Non-hydrogen_Atom_Count	35
2723866	Structure_Complexity	155
20696068	Hydrogen_Bond_Donor_Count	1
3047810	Non-hydrogen_Atom_Count	31
61420	Defined_Bond_Stereo_Count	0
90420227	Molecular_Weight	114.15
67128499	Total_Formal_Charge	0
12694695	Rotatable_Bond_Count	0
14552708	Non-hydrogen_Atom_Count	17
2724588	Hydrogen_Bond_Acceptor_Count	9
16760153	Defined_Bond_Stereo_Count	0
439468	Exact_Mass	579.89504254
13416	Non-hydrogen_Atom_Count	12
2777993	Undefined_Atom_Stereo_Count	0
12217497	TPSA	17.1
77487	Structure_Complexity	118
12472	Covalent_Unit_Count	1
118719297	Hydrogen_Bond_Donor_Count	3
89374433	Defined_Bond_Stereo_Count	0
61120	Total_Formal_Charge	0
59899303	TPSA	36
72068	Mono_Isotopic_Weight	286.04860741
44395151	Undefined_Bond_Stereo_Count	0
1549097	Tautomer_Count	1
20387208	Undefined_Atom_Stereo_Count	2
58152970	Hydrogen_Bond_Donor_Count	0
86165635	TPSA	32.8
98442	Defined_Bond_Stereo_Count	0
9566269	Hydrogen_Bond_Acceptor_Count	5
11105340	Defined_Bond_Stereo_Count	0
64964	Hydrogen_Bond_Donor_Count	4
1057	Exact_Mass	126.031694049
12542	Undefined_Bond_Stereo_Count	0
84393	Mono_Isotopic_Weight	205.9723768
452498	Exact_Mass	282.09641956
101663894	TPSA	121
12263095	Isotope_Atom_Count	0
643606	Total_Formal_Charge	0
89125265	Exact_Mass	107.073499291
71339	TPSA	128
129864969	Molecular_Weight	388.4
6552009	Total_Formal_Charge	0
710762	Exact_Mass	270.10044231
20190	Structure_Complexity	273
52105	Defined_Bond_Stereo_Count	0
10330791	Total_Formal_Charge	0
32359	Exact_Mass	190.110613074
78249	Defined_Atom_Stereo_Count	2
501728	TPSA	235
9811493	Undefined_Atom_Stereo_Count	1
83681	TPSA	0
5282168	Molecular_Weight	466.4
93143	Structure_Complexity	210
35023	Molecular_Weight	246.27
7585	XLogP3-AA	4.8
7200	Isotope_Atom_Count	0
102069	Exact_Mass	422.272199093
144147883	Undefined_Bond_Stereo_Count	0
76478	Isotope_Atom_Count	0
9803225	Hydrogen_Bond_Donor_Count	2
737804	XLogP3-AA	0.8
2762894	TPSA	38.9
600269	Hydrogen_Bond_Acceptor_Count	2
52949543	Hydrogen_Bond_Acceptor_Count	8
53965310	Undefined_Bond_Stereo_Count	0
2915	Molecular_Weight	152.3
10909508	Defined_Bond_Stereo_Count	0
8821	Hydrogen_Bond_Donor_Count	0
82734	Molecular_Weight	145.18
140359629	Defined_Atom_Stereo_Count	0
3512	Tautomer_Count	2
155893624	Exact_Mass	109.052763847
102503760	Covalent_Unit_Count	1
2076	Isotope_Atom_Count	0
3034394	Non-hydrogen_Atom_Count	21
100886	Exact_Mass	114.104465066
289151	XLogP3-AA	5.1
91758	Hydrogen_Bond_Donor_Count	0
16623	Undefined_Atom_Stereo_Count	0
53304446	Total_Formal_Charge	0
95876	Molecular_Weight	352.7
54738	Defined_Bond_Stereo_Count	0
5281042	Molecular_Weight	1029.3
24883735	Defined_Bond_Stereo_Count	0
1712087	XLogP3-AA	2.9
84605	Mono_Isotopic_Weight	196.0978555
3303	Exact_Mass	313.16779360
25835	XLogP3-AA	7.5
139024314	Defined_Atom_Stereo_Count	5
19809513	Mono_Isotopic_Weight	94.016712692
23338787	TPSA	26.3
136703	Defined_Atom_Stereo_Count	0
12302689	Defined_Bond_Stereo_Count	0
8168	Structure_Complexity	110
93884	Undefined_Atom_Stereo_Count	0
42602260	Mono_Isotopic_Weight	428.1727518
59324	Hydrogen_Bond_Donor_Count	2
57572416	Undefined_Atom_Stereo_Count	1
21942786	Hydrogen_Bond_Donor_Count	1
10197643	Total_Formal_Charge	0
17244	Hydrogen_Bond_Donor_Count	0
62232962	TPSA	26.3
13150	Tautomer_Count	1
3683	Structure_Complexity	602
44412343	Structure_Complexity	484
86287525	Undefined_Bond_Stereo_Count	0
889896	Structure_Complexity	423
6436173	Molecular_Weight	785.9
102533943	Isotope_Atom_Count	0
775	Tautomer_Count	8
705856	Undefined_Atom_Stereo_Count	0
41653	Defined_Atom_Stereo_Count	16
53407229	Molecular_Weight	101.15
26111	XLogP3-AA	8
2762892	Non-hydrogen_Atom_Count	8
18598488	Structure_Complexity	119
1551	Isotope_Atom_Count	0
3011527	Undefined_Atom_Stereo_Count	5
87682885	Rotatable_Bond_Count	1
5284452	Defined_Bond_Stereo_Count	0
437719	Undefined_Atom_Stereo_Count	0
56134	Molecular_Weight	170.30
10909482	Structure_Complexity	85.4
208951	Undefined_Bond_Stereo_Count	0
14714356	Undefined_Bond_Stereo_Count	0
123161	Rotatable_Bond_Count	0
4942	Total_Formal_Charge	0
429095	Rotatable_Bond_Count	5
11049	Undefined_Atom_Stereo_Count	0
16627	Rotatable_Bond_Count	4
139291707	Exact_Mass	1137.4964
85475	Structure_Complexity	238
12359154	Non-hydrogen_Atom_Count	20
19908673	Undefined_Bond_Stereo_Count	0
12491609	Molecular_Weight	112.17
12284866	Structure_Complexity	64
11225102	Rotatable_Bond_Count	6
15415	Defined_Bond_Stereo_Count	0
136219154	Molecular_Weight	380.9
643835	Exact_Mass	84.093900383
10569	TPSA	37.3
13401998	TPSA	21.3
6914657	XLogP3-AA	3.7
11934	TPSA	0
141758021	Mono_Isotopic_Weight	112.052429494
60824	XLogP3-AA	2.2
1112	Exact_Mass	102.031694049
129636415	Total_Formal_Charge	0
153830378	Defined_Atom_Stereo_Count	0
58992	Tautomer_Count	3
18591	Mono_Isotopic_Weight	128.156500638
3246495	TPSA	142
445302	Total_Formal_Charge	0
306049	Exact_Mass	222.0811428
50741839	Mono_Isotopic_Weight	606.22189408
350825	Hydrogen_Bond_Donor_Count	0
6326719	Defined_Bond_Stereo_Count	0
519963	Covalent_Unit_Count	1
2734664	Exact_Mass	140.065741536
2455	Total_Formal_Charge	0
131059	Defined_Bond_Stereo_Count	0
51397515	Mono_Isotopic_Weight	545.09131438
46936435	Undefined_Atom_Stereo_Count	0
11988953	Undefined_Atom_Stereo_Count	0
11544170	Defined_Atom_Stereo_Count	0
75994	Defined_Atom_Stereo_Count	0
60196262	Defined_Atom_Stereo_Count	13
11604	TPSA	23.8
6476333	Structure_Complexity	936
7048538	Mono_Isotopic_Weight	299.201105100
475	Non-hydrogen_Atom_Count	15
134694073	Rotatable_Bond_Count	10
68675439	Undefined_Bond_Stereo_Count	0
5071450	Mono_Isotopic_Weight	157.04874109
11857488	Defined_Atom_Stereo_Count	2
53701416	Defined_Atom_Stereo_Count	0
72402	Exact_Mass	363.12190603
548	Defined_Atom_Stereo_Count	0
7977	Defined_Bond_Stereo_Count	0
66603	Exact_Mass	247.877940
60988	Isotope_Atom_Count	0
57157895	Exact_Mass	106.078250319
53807546	XLogP3-AA	0.8
5361309	Non-hydrogen_Atom_Count	30
73759759	Isotope_Atom_Count	0
25295	Molecular_Weight	289.80
84976	Rotatable_Bond_Count	4
6438863	Exact_Mass	1316.1505
44310513	Exact_Mass	391.19296297
37366	Exact_Mass	221.03329170
1043	Exact_Mass	132.043596145
73566	Rotatable_Bond_Count	5
24706	Structure_Complexity	1110
2596914	Exact_Mass	372.11437830
17533	Non-hydrogen_Atom_Count	17
93286	Defined_Atom_Stereo_Count	0
6324599	Covalent_Unit_Count	2
672296	Non-hydrogen_Atom_Count	14
95433	Rotatable_Bond_Count	2
13184	XLogP3	4.5
35364	TPSA	0
4265	Structure_Complexity	904
3548422	Undefined_Atom_Stereo_Count	0
19176	Isotope_Atom_Count	0
747	Structure_Complexity	574
5388880	Structure_Complexity	0
41897	Isotope_Atom_Count	0
16129620	Exact_Mass	3356.8220541
58638	Undefined_Bond_Stereo_Count	0
72200038	Defined_Bond_Stereo_Count	0
123134263	Rotatable_Bond_Count	15
44430313	Total_Formal_Charge	0
69342109	Non-hydrogen_Atom_Count	8
7201	Undefined_Atom_Stereo_Count	0
5353521	Total_Formal_Charge	0
5284542	Undefined_Bond_Stereo_Count	0
66417	Hydrogen_Bond_Acceptor_Count	3
25803	Hydrogen_Bond_Donor_Count	2
256019	Mono_Isotopic_Weight	218.04129354
323	Non-hydrogen_Atom_Count	11
69371	Rotatable_Bond_Count	0
10261065	Mono_Isotopic_Weight	110.109550447
88901652	Exact_Mass	113.047678466
9270	Exact_Mass	384.23005950
48483	Defined_Bond_Stereo_Count	0
14337	Total_Formal_Charge	0
24827	TPSA	46.5
10048368	Hydrogen_Bond_Donor_Count	0
883476	Hydrogen_Bond_Donor_Count	1
69319	Undefined_Bond_Stereo_Count	0
33166	Total_Formal_Charge	0
133568445	Defined_Atom_Stereo_Count	18
22833307	Hydrogen_Bond_Donor_Count	0
10256668	Non-hydrogen_Atom_Count	40
130232326	Molecular_Weight	554.5
3032325	Covalent_Unit_Count	1
2779024	XLogP3-AA	0.7
66885	Hydrogen_Bond_Donor_Count	2
10291556	Rotatable_Bond_Count	2
68013637	Exact_Mass	342.11621151
20348168	XLogP3-AA	0.2
5493444	Molecular_Weight	551.8
9864348	Isotope_Atom_Count	0
76223467	Non-hydrogen_Atom_Count	6
14067296	Exact_Mass	94.041864811
415984	Covalent_Unit_Count	1
9955175	Hydrogen_Bond_Acceptor_Count	7
57714	Structure_Complexity	324
447405	TPSA	125
23724556	Isotope_Atom_Count	0
55286155	Undefined_Atom_Stereo_Count	0
13021	Undefined_Bond_Stereo_Count	0
6364626	Undefined_Atom_Stereo_Count	0
4567175	Hydrogen_Bond_Donor_Count	1
15686	TPSA	43.4
18323753	Hydrogen_Bond_Donor_Count	0
165367979	Rotatable_Bond_Count	12
71072081	Mono_Isotopic_Weight	504.1946483
93320	Defined_Bond_Stereo_Count	0
12948	Covalent_Unit_Count	2
73246	Structure_Complexity	982
13961743	Defined_Atom_Stereo_Count	0
44205240	Rotatable_Bond_Count	5
429342	Structure_Complexity	203
5311217	Isotope_Atom_Count	0
61056	XLogP3-AA	4.3
17652	Tautomer_Count	1
14264	Undefined_Bond_Stereo_Count	0
10820489	Molecular_Weight	111.14
45085067	Total_Formal_Charge	0
68324677	Defined_Atom_Stereo_Count	1
12839329	Defined_Atom_Stereo_Count	0
60196414	Isotope_Atom_Count	0
45926185	Exact_Mass	345.07093309
14578458	Exact_Mass	101.084063974
5070	Isotope_Atom_Count	0
72038	XLogP3-AA	2.9
12777	TPSA	26.3
517296	Molecular_Weight	960.8
535819	Total_Formal_Charge	0
71304	Isotope_Atom_Count	0
153997	Total_Formal_Charge	0
11962267	Undefined_Bond_Stereo_Count	0
2077	Structure_Complexity	591
253878	Isotope_Atom_Count	0
6918663	Exact_Mass	401.0634615
241023	Covalent_Unit_Count	1
53808	Undefined_Bond_Stereo_Count	0
91490309	Hydrogen_Bond_Acceptor_Count	3
745	Total_Formal_Charge	0
119171	Defined_Atom_Stereo_Count	0
7999	Molecular_Weight	288.70
220338	TPSA	37.3
23418	Hydrogen_Bond_Donor_Count	2
12067680	Isotope_Atom_Count	0
60960	Covalent_Unit_Count	2
4346	Rotatable_Bond_Count	10
23379007	Rotatable_Bond_Count	0
7822	Rotatable_Bond_Count	4
65513	Total_Formal_Charge	0
20297542	TPSA	38.9
62583	Molecular_Weight	170.25
20623556	Defined_Atom_Stereo_Count	0
52919826	Defined_Bond_Stereo_Count	0
54758599	Hydrogen_Bond_Donor_Count	23
54608508	Total_Formal_Charge	0
44644	Defined_Atom_Stereo_Count	0
68682560	TPSA	128
13153908	TPSA	23.6
5184	Undefined_Atom_Stereo_Count	5
70789197	Defined_Atom_Stereo_Count	9
21379	Defined_Atom_Stereo_Count	0
65859	Defined_Bond_Stereo_Count	0
362828	Mono_Isotopic_Weight	297.11134135
6427102	Total_Formal_Charge	0
3001055	Defined_Bond_Stereo_Count	1
6406	Covalent_Unit_Count	1
39268	Isotope_Atom_Count	0
11340940	Isotope_Atom_Count	0
15808	Exact_Mass	206.167065321
2243	Hydrogen_Bond_Acceptor_Count	15
121249	Rotatable_Bond_Count	4
719	Undefined_Atom_Stereo_Count	4
449555	TPSA	428
6881	Tautomer_Count	4
153929434	Mono_Isotopic_Weight	98.036779430
121207552	Hydrogen_Bond_Acceptor_Count	1
39268	Rotatable_Bond_Count	8
129797954	Structure_Complexity	153
31954	Mono_Isotopic_Weight	194.094294304
51425	Defined_Atom_Stereo_Count	0
9897412	Undefined_Bond_Stereo_Count	0
14200857	Undefined_Bond_Stereo_Count	0
722292	Total_Formal_Charge	0
16996	Total_Formal_Charge	0
6093	Structure_Complexity	268
17184	Exact_Mass	387.13517331
7461	Tautomer_Count	1
71094775	Undefined_Atom_Stereo_Count	5
199543	Isotope_Atom_Count	0
16218742	Total_Formal_Charge	0
147059143	Non-hydrogen_Atom_Count	7
13005	Mono_Isotopic_Weight	112.052429494
53747824	Hydrogen_Bond_Acceptor_Count	2
91886115	Structure_Complexity	469
90420227	Non-hydrogen_Atom_Count	8
609844	Total_Formal_Charge	0
11163584	Undefined_Atom_Stereo_Count	1
90579	Tautomer_Count	13
18200	XLogP3-AA	0.4
101304	XLogP3	1.2
127909	Covalent_Unit_Count	1
33503	Non-hydrogen_Atom_Count	15
107807	Undefined_Bond_Stereo_Count	0
44578615	Isotope_Atom_Count	0
102210	Mono_Isotopic_Weight	316.20384475
135556691	Undefined_Atom_Stereo_Count	0
5364328	Molecular_Weight	79.10
2146	Isotope_Atom_Count	0
11954234	Undefined_Bond_Stereo_Count	0
36415	Rotatable_Bond_Count	1
794	Covalent_Unit_Count	1
517121	Exact_Mass	218.9214405
24757913	Mono_Isotopic_Weight	622.23173397
23427989	Mono_Isotopic_Weight	1075.72835490
27290	XLogP3-AA	0.6
71401	Covalent_Unit_Count	2
71323	Defined_Bond_Stereo_Count	0
122612	Structure_Complexity	418
3587356	Structure_Complexity	61
5507	Undefined_Atom_Stereo_Count	0
18684667	XLogP3-AA	3.3
21830223	Structure_Complexity	48.1
60165517	Rotatable_Bond_Count	5
23248	Molecular_Weight	222.28
97337	Total_Formal_Charge	0
98685	Isotope_Atom_Count	0
7848	Hydrogen_Bond_Acceptor_Count	1
44338970	Defined_Bond_Stereo_Count	0
83437	Covalent_Unit_Count	1
10606708	Hydrogen_Bond_Donor_Count	2
55300028	Covalent_Unit_Count	1
1993	Undefined_Bond_Stereo_Count	0
6401	Covalent_Unit_Count	1
18542107	Defined_Atom_Stereo_Count	0
36255	Non-hydrogen_Atom_Count	29
135412609	Undefined_Bond_Stereo_Count	0
244	Structure_Complexity	55.4
6303	Isotope_Atom_Count	0
38306	Covalent_Unit_Count	1
1080	Exact_Mass	179.02522894
89572	Molecular_Weight	214.64
9800972	Rotatable_Bond_Count	10
2723630	Molecular_Weight	150.3
22273548	Covalent_Unit_Count	1
172288	Total_Formal_Charge	0
1424	Rotatable_Bond_Count	14
2583	Defined_Atom_Stereo_Count	0
2761171	Non-hydrogen_Atom_Count	11
1283	Isotope_Atom_Count	0
696925	Total_Formal_Charge	0
10005402	Exact_Mass	480.1034322
59022304	Molecular_Weight	101.15
9808235	Hydrogen_Bond_Donor_Count	0
32243	Covalent_Unit_Count	1
139336513	Non-hydrogen_Atom_Count	8
8042	Hydrogen_Bond_Acceptor_Count	2
159609	Hydrogen_Bond_Acceptor_Count	1
91439614	Rotatable_Bond_Count	2
441278	Molecular_Weight	285.4
102600809	Hydrogen_Bond_Donor_Count	6
12369	Defined_Bond_Stereo_Count	0
71361084	Defined_Atom_Stereo_Count	0
10404073	Undefined_Atom_Stereo_Count	0
5282198	Defined_Atom_Stereo_Count	1
6128	Rotatable_Bond_Count	0
164695	Rotatable_Bond_Count	2
3277600	Tautomer_Count	12
91145327	Hydrogen_Bond_Donor_Count	0
151194	Hydrogen_Bond_Acceptor_Count	4
139568	TPSA	0
55958	Total_Formal_Charge	0
4678	Undefined_Bond_Stereo_Count	0
10698	XLogP3-AA	2.7
10200589	Non-hydrogen_Atom_Count	29
5280793	Molecular_Weight	396.6
642792	Hydrogen_Bond_Donor_Count	0
121596006	Structure_Complexity	1220
101094784	Hydrogen_Bond_Acceptor_Count	5
4183883	Hydrogen_Bond_Donor_Count	0
205324	Mono_Isotopic_Weight	110.048012819
13245709	Hydrogen_Bond_Acceptor_Count	1
71469	Undefined_Bond_Stereo_Count	0
68764493	Rotatable_Bond_Count	0
192160	Undefined_Bond_Stereo_Count	0
198212	Total_Formal_Charge	0
126455659	Hydrogen_Bond_Donor_Count	1
80603	Rotatable_Bond_Count	1
25116186	Hydrogen_Bond_Donor_Count	3
1189	TPSA	146
129627802	XLogP3-AA	2.1
44442065	Hydrogen_Bond_Acceptor_Count	5
57515	Molecular_Weight	599.5
520942	TPSA	9.2
73537	Covalent_Unit_Count	1
71115	TPSA	28.5
13813928	Total_Formal_Charge	0
9848990	Total_Formal_Charge	0
44455116	Non-hydrogen_Atom_Count	26
17354	TPSA	52
29084	Mono_Isotopic_Weight	220.08479225
20087178	Undefined_Bond_Stereo_Count	0
6410621	Undefined_Atom_Stereo_Count	0
15741634	Exact_Mass	101.120449483
535824	Rotatable_Bond_Count	0
157049	XLogP3-AA	9.2
58485	Exact_Mass	198.09391764
10176670	Rotatable_Bond_Count	1
133556498	Non-hydrogen_Atom_Count	43
39485	Defined_Atom_Stereo_Count	0
2863	Undefined_Atom_Stereo_Count	6
91667979	XLogP3	3.3
10219396	Isotope_Atom_Count	0
59768	TPSA	67.8
41653	Undefined_Atom_Stereo_Count	0
61208	Hydrogen_Bond_Donor_Count	0
103439991	Non-hydrogen_Atom_Count	7
163994814	TPSA	59.4
16135	Tautomer_Count	1
2655	XLogP3	0
11317439	Undefined_Bond_Stereo_Count	0
332	Defined_Atom_Stereo_Count	0
538333	TPSA	26.3
57952	Non-hydrogen_Atom_Count	28
7724	Hydrogen_Bond_Acceptor_Count	1
69088	Exact_Mass	159.068413911
9856149	Defined_Bond_Stereo_Count	1
150748	Covalent_Unit_Count	1
92112	Undefined_Atom_Stereo_Count	0
12035	XLogP3	0.4
92386	Undefined_Atom_Stereo_Count	0
10857465	Hydrogen_Bond_Acceptor_Count	1
60196414	Undefined_Bond_Stereo_Count	0
11722286	Covalent_Unit_Count	2
135429738	Defined_Atom_Stereo_Count	0
46783795	Undefined_Bond_Stereo_Count	0
42574	Tautomer_Count	79
9914412	Hydrogen_Bond_Acceptor_Count	8
18730080	XLogP3-AA	3
156838775	TPSA	23.8
15614042	Isotope_Atom_Count	0
6407	XLogP3-AA	1.6
21698764	XLogP3-AA	1.2
153380590	Defined_Bond_Stereo_Count	0
25203894	Undefined_Atom_Stereo_Count	0
18475804	Rotatable_Bond_Count	2
443041	XLogP3-AA	3.4
139078414	Isotope_Atom_Count	0
8422	XLogP3	2.5
78484	Covalent_Unit_Count	1
11865410	Isotope_Atom_Count	0
97770	Molecular_Weight	115.17
69046	Hydrogen_Bond_Donor_Count	2
496	Covalent_Unit_Count	1
46911863	Undefined_Atom_Stereo_Count	0
5478933	Mono_Isotopic_Weight	473.26381923
37425	Rotatable_Bond_Count	1
13240378	Exact_Mass	150.128274515
8369	Molecular_Weight	126.11
58752	Mono_Isotopic_Weight	496.13000
969488	Undefined_Bond_Stereo_Count	0
8698	Defined_Atom_Stereo_Count	0
64627	TPSA	69.3
23653584	Total_Formal_Charge	0
18364059	Defined_Bond_Stereo_Count	0
705	Structure_Complexity	1520
4731	Covalent_Unit_Count	1
549482	Undefined_Atom_Stereo_Count	1
20387241	Mono_Isotopic_Weight	99.104799419
141829	Exact_Mass	85.052763847
688993	XLogP3	5.3
69965423	Covalent_Unit_Count	1
3019305	Mono_Isotopic_Weight	241.10152556
37517	Non-hydrogen_Atom_Count	21
22628	Exact_Mass	380.93066
437719	Isotope_Atom_Count	0
656630	TPSA	288
14120372	Molecular_Weight	120.15
349713	Isotope_Atom_Count	0
163050675	Defined_Atom_Stereo_Count	6
2340	Undefined_Atom_Stereo_Count	4
165363357	Molecular_Weight	1047.2
87412180	Undefined_Bond_Stereo_Count	0
14626842	Defined_Atom_Stereo_Count	0
765378	Hydrogen_Bond_Acceptor_Count	5
3016570	Isotope_Atom_Count	0
47675	Non-hydrogen_Atom_Count	16
70687305	Exact_Mass	402.29813906
91266152	Molecular_Weight	94.15
57369982	Total_Formal_Charge	0
21047	Defined_Bond_Stereo_Count	0
4555	Rotatable_Bond_Count	5
1613	Non-hydrogen_Atom_Count	29
3036640	Hydrogen_Bond_Acceptor_Count	11
168701	TPSA	108
53232451	Molecular_Weight	355.3
66577114	Structure_Complexity	1650
11778544	Undefined_Atom_Stereo_Count	0
12550	Hydrogen_Bond_Acceptor_Count	9
12313981	Structure_Complexity	870
11884	TPSA	0
21278826	Exact_Mass	98.084398327
12814873	Hydrogen_Bond_Acceptor_Count	5
11674	Structure_Complexity	86.2
71184	XLogP3-AA	1
18349198	Hydrogen_Bond_Donor_Count	1
22037858	Exact_Mass	86.011627311
73755067	Mono_Isotopic_Weight	376.07706310
3036746	Hydrogen_Bond_Donor_Count	1
5153297	Hydrogen_Bond_Donor_Count	2
3797915	Rotatable_Bond_Count	0
4581	Rotatable_Bond_Count	2
7938	Molecular_Weight	108.14
88898	Isotope_Atom_Count	0
53846430	Defined_Atom_Stereo_Count	4
58560	Hydrogen_Bond_Acceptor_Count	3
66623496	Hydrogen_Bond_Donor_Count	0
5352449	Molecular_Weight	248.4
7761	Total_Formal_Charge	0
99845	Covalent_Unit_Count	1
69787	Non-hydrogen_Atom_Count	12
135697	Mono_Isotopic_Weight	112.016043985
89399997	Non-hydrogen_Atom_Count	8
12744	TPSA	0
71986	Exact_Mass	284.0927701
29227	Hydrogen_Bond_Acceptor_Count	2
123167	XLogP3	3.4
39859	Rotatable_Bond_Count	10
234839	Isotope_Atom_Count	0
15293	Exact_Mass	158.130679813
547110	Covalent_Unit_Count	1
26314	Structure_Complexity	1410
20202559	Isotope_Atom_Count	0
442113	Undefined_Atom_Stereo_Count	0
57551933	Defined_Atom_Stereo_Count	0
89453139	Non-hydrogen_Atom_Count	8
12608294	Undefined_Bond_Stereo_Count	0
7770	Defined_Atom_Stereo_Count	0
70687331	Undefined_Bond_Stereo_Count	0
60815	Structure_Complexity	523
24848222	Hydrogen_Bond_Donor_Count	1
522446	Covalent_Unit_Count	1
85573191	Undefined_Bond_Stereo_Count	0
15906	Undefined_Bond_Stereo_Count	0
65374	Hydrogen_Bond_Donor_Count	3
27934	Defined_Bond_Stereo_Count	0
4915	Structure_Complexity	210
446	Hydrogen_Bond_Donor_Count	2
3016416	Exact_Mass	335.15551483
19082215	TPSA	128
7397	Structure_Complexity	209
165339	Defined_Bond_Stereo_Count	0
267	Structure_Complexity	2440
5282425	Undefined_Bond_Stereo_Count	0
86017	Undefined_Bond_Stereo_Count	0
550942	Undefined_Bond_Stereo_Count	0
122404566	Rotatable_Bond_Count	4
44412343	Non-hydrogen_Atom_Count	25
12470257	Covalent_Unit_Count	1
12563179	Covalent_Unit_Count	1
9833444	TPSA	486
32249	Hydrogen_Bond_Donor_Count	1
16757678	Molecular_Weight	288.4
54675769	XLogP3-AA	3.3
69140538	Defined_Atom_Stereo_Count	0
1964	Undefined_Bond_Stereo_Count	1
10031428	Exact_Mass	595.21409234
101042985	TPSA	46.5
96430	Defined_Bond_Stereo_Count	0
90055716	Non-hydrogen_Atom_Count	36
154515561	Covalent_Unit_Count	1
15979	TPSA	0
10887868	Isotope_Atom_Count	0
5289295	Tautomer_Count	1
706285	TPSA	49.3
23725051	Isotope_Atom_Count	0
3548422	Isotope_Atom_Count	0
83976	Molecular_Weight	909.6
2724054	Hydrogen_Bond_Donor_Count	1
94866	Structure_Complexity	311
5288679	Rotatable_Bond_Count	6
11113597	TPSA	166
25185	Total_Formal_Charge	0
1009	Defined_Bond_Stereo_Count	0
15070	XLogP3	0.2
5283361	Total_Formal_Charge	0
52938427	Mono_Isotopic_Weight	404.18484064
10417847	Rotatable_Bond_Count	44
245	Undefined_Atom_Stereo_Count	10
31236	Isotope_Atom_Count	0
11378472	Total_Formal_Charge	0
66030	Structure_Complexity	182
44719490	Non-hydrogen_Atom_Count	17
217048	Rotatable_Bond_Count	12
7566944	Mono_Isotopic_Weight	342.11621151
135718449	Defined_Atom_Stereo_Count	0
81577	TPSA	45.8
44455117	Total_Formal_Charge	0
129676328	Rotatable_Bond_Count	0
17904790	XLogP3-AA	0.7
15587	Covalent_Unit_Count	2
53346493	Non-hydrogen_Atom_Count	23
7146288	Structure_Complexity	427
130028471	Covalent_Unit_Count	1
10426	Undefined_Bond_Stereo_Count	0
102102069	Defined_Atom_Stereo_Count	0
81242	Undefined_Bond_Stereo_Count	0
66601	TPSA	54.4
84930	Isotope_Atom_Count	0
6365145	Isotope_Atom_Count	0
129845	Structure_Complexity	453
3054	Non-hydrogen_Atom_Count	20
7280	Hydrogen_Bond_Acceptor_Count	0
64302	Hydrogen_Bond_Donor_Count	2
25271790	XLogP3	0.7
78422631	Defined_Atom_Stereo_Count	0
7721	Non-hydrogen_Atom_Count	9
56949327	Undefined_Bond_Stereo_Count	0
709170	Rotatable_Bond_Count	4
8992	Exact_Mass	328.97518251
76223445	Hydrogen_Bond_Donor_Count	1
5479141	Undefined_Bond_Stereo_Count	0
54690394	Covalent_Unit_Count	1
1089	Total_Formal_Charge	0
16767378	Structure_Complexity	175
123737063	Defined_Atom_Stereo_Count	0
3003	Isotope_Atom_Count	0
11285	Isotope_Atom_Count	0
4411	Defined_Bond_Stereo_Count	0
51041322	XLogP3	0.7
19425	Undefined_Bond_Stereo_Count	0
7172302	Defined_Bond_Stereo_Count	0
123966192	Isotope_Atom_Count	0
91256663	Exact_Mass	108.057514874
16656889	Molecular_Weight	508.4
5859	Structure_Complexity	418
398740	Defined_Bond_Stereo_Count	0
3038501	Undefined_Atom_Stereo_Count	0
9823454	Structure_Complexity	692
67873	Defined_Bond_Stereo_Count	0
44560807	TPSA	139
143339316	Defined_Atom_Stereo_Count	0
1219	Structure_Complexity	237
53909396	Molecular_Weight	88.11
154496863	TPSA	190
9961939	TPSA	220
129671450	Covalent_Unit_Count	1
7533	Exact_Mass	179.06161445
2777993	Isotope_Atom_Count	0
8104	Structure_Complexity	72.2
429734	Undefined_Bond_Stereo_Count	0
99564	TPSA	25.2
77971	Rotatable_Bond_Count	2
24965990	Structure_Complexity	664
833854	Structure_Complexity	338
5380876	Undefined_Atom_Stereo_Count	1
11597698	Rotatable_Bond_Count	8
88481085	Mono_Isotopic_Weight	424.37925923
11416	Hydrogen_Bond_Donor_Count	0
23616669	Hydrogen_Bond_Donor_Count	1
11315446	Undefined_Atom_Stereo_Count	0
659024	Hydrogen_Bond_Donor_Count	1
5364711	Total_Formal_Charge	0
4353	Exact_Mass	136.94763
278564	Undefined_Bond_Stereo_Count	0
3507056	Hydrogen_Bond_Acceptor_Count	5
529031	Rotatable_Bond_Count	1
12271341	Covalent_Unit_Count	1
6428543	Rotatable_Bond_Count	5
7673	TPSA	44.4
49869877	Undefined_Bond_Stereo_Count	0
54477013	Mono_Isotopic_Weight	704.53560641
21676144	Hydrogen_Bond_Donor_Count	1
145712321	Hydrogen_Bond_Donor_Count	1
15765799	TPSA	34.1
938021	Undefined_Atom_Stereo_Count	0
9578	Exact_Mass	245.91035
87712	Total_Formal_Charge	0
9980551	Exact_Mass	437.0003825
440141	Isotope_Atom_Count	0
11226684	Defined_Atom_Stereo_Count	8
6347538	Defined_Atom_Stereo_Count	2
62327	Isotope_Atom_Count	0
164826	Defined_Bond_Stereo_Count	0
20194	Structure_Complexity	494
196129	Undefined_Bond_Stereo_Count	0
70689792	Undefined_Bond_Stereo_Count	0
1093	Undefined_Bond_Stereo_Count	0
129859050	Undefined_Atom_Stereo_Count	1
6436158	Undefined_Bond_Stereo_Count	0
21118312	Isotope_Atom_Count	0
10243599	Molecular_Weight	245.28
11097730	Undefined_Atom_Stereo_Count	0
131750190	Molecular_Weight	1674.8
44123551	Hydrogen_Bond_Donor_Count	2
10043211	Total_Formal_Charge	0
20266	Tautomer_Count	4
53322429	Covalent_Unit_Count	1
19657	Undefined_Atom_Stereo_Count	1
44228720	Covalent_Unit_Count	1
135802074	TPSA	226
19082030	Molecular_Weight	114.17
9959	Total_Formal_Charge	0
68933	Mono_Isotopic_Weight	264.06809681
82550	TPSA	29.1
3775	Hydrogen_Bond_Acceptor_Count	1
12251	Mono_Isotopic_Weight	90.031694049
8288	Non-hydrogen_Atom_Count	38
86369	Hydrogen_Bond_Donor_Count	1
14106676	Molecular_Weight	114.14
16130278	Covalent_Unit_Count	1
91017818	Structure_Complexity	75.6
58247571	Undefined_Bond_Stereo_Count	0
8192	Hydrogen_Bond_Donor_Count	0
11656518	Hydrogen_Bond_Donor_Count	2
5965	Covalent_Unit_Count	3
47675	Total_Formal_Charge	0
3055	Undefined_Bond_Stereo_Count	0
12171	Structure_Complexity	73.3
18377249	TPSA	26
69885	XLogP3-AA	3
31298	Exact_Mass	190.0161736
444837	Non-hydrogen_Atom_Count	63
101944071	Molecular_Weight	346.2
185617	Hydrogen_Bond_Donor_Count	7
639661	Non-hydrogen_Atom_Count	6
11840951	Rotatable_Bond_Count	3
1024	Molecular_Weight	330.21
75868	Hydrogen_Bond_Acceptor_Count	5
49865919	Undefined_Atom_Stereo_Count	0
5483624	Defined_Bond_Stereo_Count	0
163563466	TPSA	3
53825954	TPSA	101
5362115	Covalent_Unit_Count	2
3706	Defined_Atom_Stereo_Count	0
8584	Defined_Bond_Stereo_Count	0
7166	Molecular_Weight	162.18
82322	Undefined_Atom_Stereo_Count	0
9823775	Mono_Isotopic_Weight	426.17908655
89342	Exact_Mass	86.084398327
28620	Molecular_Weight	943.1
15820874	Rotatable_Bond_Count	4
4743	Defined_Bond_Stereo_Count	0
8288	Isotope_Atom_Count	0
10887866	Defined_Atom_Stereo_Count	0
38141	Molecular_Weight	371.9
5281071	Hydrogen_Bond_Acceptor_Count	4
25162926	Rotatable_Bond_Count	6
148195	Hydrogen_Bond_Donor_Count	1
116701105	Molecular_Weight	104.15
21724548	Structure_Complexity	645
3068143	Total_Formal_Charge	0
52442	Exact_Mass	323.212338489
6438028	Non-hydrogen_Atom_Count	28
522041	Covalent_Unit_Count	1
88589623	Total_Formal_Charge	0
940892	Molecular_Weight	272.26
36689718	Isotope_Atom_Count	0
519200	Exact_Mass	100.052429494
13031981	Exact_Mass	101.084063974
68290287	Molecular_Weight	114.10
2795425	Structure_Complexity	123
9256	Hydrogen_Bond_Donor_Count	0
198	Covalent_Unit_Count	1
5311092	Covalent_Unit_Count	1
606	Total_Formal_Charge	0
12171	Tautomer_Count	1
5282280	Hydrogen_Bond_Donor_Count	2
149755	TPSA	163
11748	Undefined_Bond_Stereo_Count	0
520660	Non-hydrogen_Atom_Count	7
43193	Hydrogen_Bond_Donor_Count	0
18736304	Hydrogen_Bond_Acceptor_Count	0
10930781	Defined_Atom_Stereo_Count	2
32767	Hydrogen_Bond_Acceptor_Count	1
4363	Undefined_Bond_Stereo_Count	0
82162	Mono_Isotopic_Weight	142.074227566
71462102	Mono_Isotopic_Weight	478.1426128
70752	Defined_Atom_Stereo_Count	0
21719780	Undefined_Bond_Stereo_Count	0
77603	TPSA	18.5
101944071	Mono_Isotopic_Weight	345.0759302
91927769	Hydrogen_Bond_Acceptor_Count	4
132451761	Undefined_Bond_Stereo_Count	0
15413224	Non-hydrogen_Atom_Count	8
30945	Hydrogen_Bond_Donor_Count	0
135643052	Mono_Isotopic_Weight	224.07970687
60196351	Structure_Complexity	340
11988953	Isotope_Atom_Count	0
89145326	Undefined_Bond_Stereo_Count	0
1426	Non-hydrogen_Atom_Count	22
42108	Undefined_Bond_Stereo_Count	0
21390696	TPSA	49.8
25094462	Covalent_Unit_Count	1
25069561	Defined_Bond_Stereo_Count	0
47027	Hydrogen_Bond_Acceptor_Count	1
13244490	Defined_Atom_Stereo_Count	0
12679	Molecular_Weight	179.20
164034646	Mono_Isotopic_Weight	100.063662883
23278143	Undefined_Atom_Stereo_Count	0
443201	Hydrogen_Bond_Donor_Count	4
21158	Undefined_Bond_Stereo_Count	0
6440900	Defined_Bond_Stereo_Count	1
53316474	XLogP3-AA	2.8
4136521	Total_Formal_Charge	0
18324766	Defined_Atom_Stereo_Count	0
88922160	Defined_Atom_Stereo_Count	12
75472	Non-hydrogen_Atom_Count	12
53856650	XLogP3-AA	3.4
99338	XLogP3-AA	1.6
10162742	Hydrogen_Bond_Donor_Count	2
20725561	Undefined_Atom_Stereo_Count	0
102146446	Exact_Mass	115.123523487
718618	Hydrogen_Bond_Acceptor_Count	4
56840904	Covalent_Unit_Count	3
58781694	Hydrogen_Bond_Acceptor_Count	2
11815	Undefined_Atom_Stereo_Count	0
33713	Undefined_Atom_Stereo_Count	2
5523	Non-hydrogen_Atom_Count	19
12035	Hydrogen_Bond_Donor_Count	3
53232451	Non-hydrogen_Atom_Count	26
165491	Molecular_Weight	665.4
25183872	TPSA	98.7
161154	Hydrogen_Bond_Acceptor_Count	3
3651	Total_Formal_Charge	0
105166	Mono_Isotopic_Weight	194.964794
819440	XLogP3-AA	0.6
6440554	Structure_Complexity	736
52905	Structure_Complexity	203
44119431	Covalent_Unit_Count	1
5352771	Exact_Mass	292.240230259
4685	Molecular_Weight	147.00
15325996	Hydrogen_Bond_Donor_Count	1
90658124	Mono_Isotopic_Weight	1297.75736887
447634	Undefined_Atom_Stereo_Count	0
13035004	Molecular_Weight	101.10
43991	Undefined_Atom_Stereo_Count	0
266934	Total_Formal_Charge	0
229	TPSA	90.2
1364	Hydrogen_Bond_Acceptor_Count	8
4518	Covalent_Unit_Count	1
86811257	TPSA	37.3
15510	Molecular_Weight	102.20
12349940	Hydrogen_Bond_Donor_Count	0
61305	TPSA	142
71584419	Hydrogen_Bond_Donor_Count	2
151092	Covalent_Unit_Count	1
5353466	Total_Formal_Charge	0
101089158	Exact_Mass	116.083729621
11055399	Tautomer_Count	2
445638	Exact_Mass	254.224580195
3881	Hydrogen_Bond_Acceptor_Count	4
104726	Defined_Atom_Stereo_Count	0
153684851	Undefined_Atom_Stereo_Count	1
9446	Structure_Complexity	374
78748	Hydrogen_Bond_Acceptor_Count	2
5369258	Defined_Bond_Stereo_Count	1
66545764	Undefined_Atom_Stereo_Count	0
11908488	Undefined_Atom_Stereo_Count	0
45656	Isotope_Atom_Count	0
7654	Hydrogen_Bond_Donor_Count	0
1929	Isotope_Atom_Count	0
57349445	Isotope_Atom_Count	0
6420118	Defined_Bond_Stereo_Count	0
19438038	Isotope_Atom_Count	0
3739682	Non-hydrogen_Atom_Count	24
12729	Hydrogen_Bond_Acceptor_Count	2
21954272	Structure_Complexity	30.9
623	Exact_Mass	387.02326768
68861	Mono_Isotopic_Weight	311.188529040
701621	Hydrogen_Bond_Donor_Count	1
59295969	Rotatable_Bond_Count	10
2771013	Rotatable_Bond_Count	1
547696	Non-hydrogen_Atom_Count	7
12082850	Total_Formal_Charge	0
9815689	Total_Formal_Charge	0
24900942	Structure_Complexity	656
22356182	XLogP3-AA	0.5
135438601	Structure_Complexity	208
93193	Tautomer_Count	1
115374	Non-hydrogen_Atom_Count	28
92626	Isotope_Atom_Count	0
23347	Non-hydrogen_Atom_Count	12
11294	Undefined_Atom_Stereo_Count	0
59216333	Exact_Mass	111.043261792
12251749	Hydrogen_Bond_Acceptor_Count	1
54493	Tautomer_Count	2
53846435	Non-hydrogen_Atom_Count	30
6921	Structure_Complexity	132
2735101	Isotope_Atom_Count	0
9853710	Molecular_Weight	774.9
108078	XLogP3	5
2714	Isotope_Atom_Count	0
5354035	Undefined_Atom_Stereo_Count	1
441278	Defined_Atom_Stereo_Count	3
54706667	TPSA	80.6
5280724	Defined_Bond_Stereo_Count	4
90737888	Non-hydrogen_Atom_Count	7
86830	Total_Formal_Charge	1
14475	Hydrogen_Bond_Acceptor_Count	2
20055083	Defined_Bond_Stereo_Count	3
49865733	Structure_Complexity	449
16049867	XLogP3-AA	4.4
135408752	Mono_Isotopic_Weight	440.07905542
16158473	Hydrogen_Bond_Donor_Count	52
5330213	Rotatable_Bond_Count	5
542354	Total_Formal_Charge	0
7004913	TPSA	26
6793	Hydrogen_Bond_Donor_Count	2
76959035	Non-hydrogen_Atom_Count	23
1492348	TPSA	98.3
78422631	Hydrogen_Bond_Acceptor_Count	2
45116609	Molecular_Weight	101.15
20684386	Undefined_Bond_Stereo_Count	0
13584550	TPSA	17.1
4195974	Undefined_Bond_Stereo_Count	0
4332	Hydrogen_Bond_Acceptor_Count	4
11698194	Covalent_Unit_Count	1
62130	Covalent_Unit_Count	2
23134	Defined_Atom_Stereo_Count	0
8301	Covalent_Unit_Count	1
23702994	Structure_Complexity	1340
95997	Undefined_Atom_Stereo_Count	0
14355861	Undefined_Atom_Stereo_Count	0
16211283	Molecular_Weight	396.9
524954	Exact_Mass	106.078250319
632835	Mono_Isotopic_Weight	370.10525291
15130827	Covalent_Unit_Count	1
519	Exact_Mass	258.01406892
8332	Rotatable_Bond_Count	3
819	Hydrogen_Bond_Acceptor_Count	30
35802	Non-hydrogen_Atom_Count	23
10877064	Covalent_Unit_Count	1
123133899	Structure_Complexity	1420
9015	Molecular_Weight	124.14
65681	Hydrogen_Bond_Acceptor_Count	3
40187	Undefined_Atom_Stereo_Count	2
82261	Molecular_Weight	212.74
11009532	Hydrogen_Bond_Acceptor_Count	1
49909	TPSA	36.9
2734680	Total_Formal_Charge	0
13558	Non-hydrogen_Atom_Count	9
10954241	Isotope_Atom_Count	6
680036	Isotope_Atom_Count	0
235713	Isotope_Atom_Count	0
4437320	Undefined_Bond_Stereo_Count	0
40467	Undefined_Bond_Stereo_Count	0
9707	Isotope_Atom_Count	0
75905	Isotope_Atom_Count	0
449242	Covalent_Unit_Count	1
224244	Rotatable_Bond_Count	0
10095659	Structure_Complexity	575
27903	TPSA	159
14388559	Rotatable_Bond_Count	1
73170	Rotatable_Bond_Count	0
5748551	Hydrogen_Bond_Donor_Count	2
64966	Rotatable_Bond_Count	3
71778	Hydrogen_Bond_Donor_Count	1
558359	Undefined_Atom_Stereo_Count	1
19757496	Mono_Isotopic_Weight	108.01868458
2762874	Undefined_Atom_Stereo_Count	0
117763868	Mono_Isotopic_Weight	419.34787550
23654	Structure_Complexity	125
6163	Mono_Isotopic_Weight	154.02997997
21908797	Total_Formal_Charge	0
135121972	Mono_Isotopic_Weight	364.0713660
20838085	Covalent_Unit_Count	2
3081317	Non-hydrogen_Atom_Count	44
135445749	Isotope_Atom_Count	0
21718270	TPSA	63.4
76922	Structure_Complexity	92.3
8785	Non-hydrogen_Atom_Count	11
5362125	Mono_Isotopic_Weight	509.98517151
73285	Total_Formal_Charge	0
11829356	TPSA	29.5
27909	Isotope_Atom_Count	0
2106900	Structure_Complexity	72.9
27182	Mono_Isotopic_Weight	269.177964357
7263	Mono_Isotopic_Weight	142.0297759
6440721	Undefined_Atom_Stereo_Count	2
21325324	Structure_Complexity	94.5
20495	Tautomer_Count	2
161656	Isotope_Atom_Count	0
1823	Undefined_Atom_Stereo_Count	2
53683458	Non-hydrogen_Atom_Count	7
441285	Undefined_Atom_Stereo_Count	1
7916	Isotope_Atom_Count	0
2771917	Mono_Isotopic_Weight	98.084398327
250629	Rotatable_Bond_Count	0
26979	Isotope_Atom_Count	0
55290327	Covalent_Unit_Count	1
74952	Defined_Atom_Stereo_Count	0
23665765	Covalent_Unit_Count	2
3108	Structure_Complexity	561
11225102	Mono_Isotopic_Weight	466.30562448
8949	Total_Formal_Charge	0
113606	Total_Formal_Charge	0
17912	Covalent_Unit_Count	1
10307853	Total_Formal_Charge	0
22132384	Covalent_Unit_Count	1
34052	Defined_Bond_Stereo_Count	0
19951	Covalent_Unit_Count	1
7566942	Mono_Isotopic_Weight	342.11621151
53677339	Defined_Atom_Stereo_Count	0
57445155	TPSA	29.5
4283516	TPSA	231
12704941	Covalent_Unit_Count	1
12222	TPSA	17.1
158431	Undefined_Atom_Stereo_Count	0
68928	Undefined_Atom_Stereo_Count	1
214350	Covalent_Unit_Count	1
141315	XLogP3-AA	0.3
71587865	Molecular_Weight	380.9
86743193	Hydrogen_Bond_Acceptor_Count	10
447360	XLogP3-AA	2.1
20172	Rotatable_Bond_Count	2
53956489	Non-hydrogen_Atom_Count	7
10997120	Total_Formal_Charge	0
10465	Exact_Mass	270.255880323
270010	Undefined_Atom_Stereo_Count	0
149362669	Mono_Isotopic_Weight	98.073164938
69356	Defined_Bond_Stereo_Count	0
19989408	Undefined_Bond_Stereo_Count	0
3464	Structure_Complexity	265
71392	Undefined_Bond_Stereo_Count	0
443391	XLogP3-AA	4.1
75171	Mono_Isotopic_Weight	146.141913202
2794833	Hydrogen_Bond_Acceptor_Count	2
11539235	Rotatable_Bond_Count	6
24972883	Defined_Bond_Stereo_Count	0
94378	Undefined_Bond_Stereo_Count	0
5288525	XLogP3-AA	1.3
3083540	Structure_Complexity	439
354520	Total_Formal_Charge	0
66489873	Undefined_Atom_Stereo_Count	0
12453	Undefined_Atom_Stereo_Count	0
12506259	Defined_Bond_Stereo_Count	0
139062526	Defined_Bond_Stereo_Count	0
564996	TPSA	26.3
18656	Defined_Bond_Stereo_Count	0
27655	Molecular_Weight	152.53
102138	Structure_Complexity	2.8
13357	Tautomer_Count	1
12124	Defined_Atom_Stereo_Count	0
135489810	Isotope_Atom_Count	0
17318	Defined_Atom_Stereo_Count	0
1573	Covalent_Unit_Count	1
74889149	Defined_Atom_Stereo_Count	0
60993	Covalent_Unit_Count	1
23649245	Tautomer_Count	5
853433	Hydrogen_Bond_Donor_Count	1
10346870	TPSA	121
37020	Undefined_Bond_Stereo_Count	0
24900426	Isotope_Atom_Count	0
35740	TPSA	170
123692	Defined_Atom_Stereo_Count	0
12454	Structure_Complexity	509
10679	Hydrogen_Bond_Donor_Count	2
3035240	Defined_Bond_Stereo_Count	0
9892122	Hydrogen_Bond_Acceptor_Count	9
24860538	Hydrogen_Bond_Acceptor_Count	0
13792373	Hydrogen_Bond_Acceptor_Count	2
535111	Molecular_Weight	112.17
9960569	Defined_Atom_Stereo_Count	0
95433	Defined_Bond_Stereo_Count	0
15778463	Undefined_Atom_Stereo_Count	0
24763202	Undefined_Atom_Stereo_Count	0
54761306	Covalent_Unit_Count	1
464	Mono_Isotopic_Weight	179.058243149
3857	Covalent_Unit_Count	1
21411178	Hydrogen_Bond_Acceptor_Count	4
42350	Total_Formal_Charge	0
66071945	Isotope_Atom_Count	0
34698	Covalent_Unit_Count	1
1714329	Rotatable_Bond_Count	0
83795	Mono_Isotopic_Weight	128.094963011
46878493	Molecular_Weight	112.04
89976630	XLogP3-AA	1
3058221	Defined_Bond_Stereo_Count	0
130429734	Covalent_Unit_Count	1
304016	Isotope_Atom_Count	0
138961	Hydrogen_Bond_Acceptor_Count	2
11462536	Molecular_Weight	360.3
163646941	Exact_Mass	101.084063974
90102662	Non-hydrogen_Atom_Count	8
226274	TPSA	43.1
14523552	Undefined_Atom_Stereo_Count	0
131721310	TPSA	0
3798	Exact_Mass	281.116426730
91229160	Molecular_Weight	111.10
1652	Defined_Atom_Stereo_Count	0
2955894	Molecular_Weight	407.5
29124	Structure_Complexity	219
115208	Tautomer_Count	2
24916869	Hydrogen_Bond_Acceptor_Count	5
9828310	Rotatable_Bond_Count	19
5360807	Hydrogen_Bond_Acceptor_Count	8
6918543	Undefined_Atom_Stereo_Count	0
7672	Mono_Isotopic_Weight	119.037113783
24219262	Undefined_Atom_Stereo_Count	0
5288811	Total_Formal_Charge	0
12209629	Molecular_Weight	127.18
138277	Undefined_Atom_Stereo_Count	0
2804374	Molecular_Weight	231.68
3772977	Covalent_Unit_Count	1
58801077	Molecular_Weight	113.16
59964826	Defined_Atom_Stereo_Count	0
72508	Non-hydrogen_Atom_Count	15
66662059	TPSA	88.6
66561	Hydrogen_Bond_Donor_Count	1
52942030	Exact_Mass	437.19148337
6805	TPSA	37.3
17806	Defined_Bond_Stereo_Count	0
8817	Non-hydrogen_Atom_Count	9
61346	Isotope_Atom_Count	0
7017	Mono_Isotopic_Weight	170.073164938
12814875	Undefined_Bond_Stereo_Count	0
59290	TPSA	186
4809	XLogP3-AA	2.8
20774103	Undefined_Bond_Stereo_Count	0
1305	Defined_Atom_Stereo_Count	0
122706434	Defined_Atom_Stereo_Count	10
5284442	XLogP3-AA	4
4293	Defined_Atom_Stereo_Count	0
57341	Exact_Mass	298.14297583
2530251	Undefined_Atom_Stereo_Count	0
141681	Molecular_Weight	128.05
11993	Tautomer_Count	1
51504	TPSA	68.9
12438035	Structure_Complexity	79.3
5362460	Total_Formal_Charge	0
182645	Hydrogen_Bond_Donor_Count	1
3658056	Isotope_Atom_Count	0
60678	Covalent_Unit_Count	3
178145	Undefined_Atom_Stereo_Count	1
21932619	Undefined_Atom_Stereo_Count	4
9863303	Structure_Complexity	546
87081618	Defined_Atom_Stereo_Count	0
164685	Isotope_Atom_Count	0
6871216	Defined_Atom_Stereo_Count	0
97919	Undefined_Atom_Stereo_Count	1
154518370	Hydrogen_Bond_Acceptor_Count	0
92660	Non-hydrogen_Atom_Count	15
2698	Isotope_Atom_Count	0
1131	Structure_Complexity	413
3179255	XLogP3-AA	3.7
97109339	Exact_Mass	106.041864811
13394149	Hydrogen_Bond_Acceptor_Count	8
102552746	Undefined_Atom_Stereo_Count	1
9570438	XLogP3-AA	3.8
63855	Undefined_Atom_Stereo_Count	0
9961469	Non-hydrogen_Atom_Count	40
55244	Undefined_Atom_Stereo_Count	0
413547	Exact_Mass	231.186123742
19838382	Defined_Atom_Stereo_Count	0
41191	Defined_Atom_Stereo_Count	0
586083	XLogP3-AA	1.3
12626561	Total_Formal_Charge	0
9104	Total_Formal_Charge	0
53881088	Undefined_Bond_Stereo_Count	0
11725479	Defined_Atom_Stereo_Count	0
7021	Undefined_Bond_Stereo_Count	1
83669186	Non-hydrogen_Atom_Count	8
18283	Total_Formal_Charge	0
88890036	Rotatable_Bond_Count	1
23677927	TPSA	65.6
449171	Defined_Atom_Stereo_Count	0
25271781	Defined_Bond_Stereo_Count	0
13306871	Structure_Complexity	66.5
527568	Defined_Bond_Stereo_Count	0
6918454	Hydrogen_Bond_Donor_Count	2
140152869	XLogP3-AA	1.1
12867427	Structure_Complexity	82.2
123799979	Rotatable_Bond_Count	0
166480	Structure_Complexity	468
127394	Structure_Complexity	389
88729	Total_Formal_Charge	0
28264	Hydrogen_Bond_Acceptor_Count	2
43667	Molecular_Weight	214.31
56845780	Isotope_Atom_Count	0
439182	Defined_Atom_Stereo_Count	4
437570	Molecular_Weight	100.08
479	Structure_Complexity	284
69834	Molecular_Weight	109.17
903738	Exact_Mass	338.0491912
14840499	Hydrogen_Bond_Donor_Count	0
134689013	TPSA	38.8
66247	Exact_Mass	433.12526
2253	Hydrogen_Bond_Donor_Count	3
9848869	TPSA	143
24978553	Non-hydrogen_Atom_Count	57
131167766	Molecular_Weight	109.17
4271	Non-hydrogen_Atom_Count	31
21863274	Rotatable_Bond_Count	2
12394845	Defined_Bond_Stereo_Count	0
448042	Mono_Isotopic_Weight	247.168462302
6433415	Rotatable_Bond_Count	2
64722	Defined_Atom_Stereo_Count	0
6917951	Structure_Complexity	659
64975	Hydrogen_Bond_Acceptor_Count	6
54530170	Isotope_Atom_Count	0
3033821	Molecular_Weight	335.4
135422442	Defined_Bond_Stereo_Count	0
23674496	Rotatable_Bond_Count	6
135407187	Structure_Complexity	354
439352	Total_Formal_Charge	0
5358907	Exact_Mass	354.15795719
30923	Structure_Complexity	216
2734664	Hydrogen_Bond_Acceptor_Count	1
9013	TPSA	64.4
54541930	Exact_Mass	115.063328530
91069096	Covalent_Unit_Count	1
2129427	Non-hydrogen_Atom_Count	23
18156	Hydrogen_Bond_Donor_Count	0
51253	Undefined_Bond_Stereo_Count	0
11589920	Total_Formal_Charge	0
135472943	Undefined_Atom_Stereo_Count	0
22033763	Defined_Bond_Stereo_Count	0
135471308	Covalent_Unit_Count	1
51042438	Hydrogen_Bond_Acceptor_Count	6
12317358	XLogP3-AA	0
56841980	Isotope_Atom_Count	0
10499446	Non-hydrogen_Atom_Count	28
7359	Total_Formal_Charge	0
444493	Non-hydrogen_Atom_Count	51
92196	Undefined_Bond_Stereo_Count	0
147201521	Molecular_Weight	113.20
20111	XLogP3	2
12561969	Covalent_Unit_Count	1
11496886	Non-hydrogen_Atom_Count	26
135423438	Undefined_Bond_Stereo_Count	0
45085104	Covalent_Unit_Count	1
137701	Molecular_Weight	86.13
45006125	Total_Formal_Charge	0
62683	Defined_Bond_Stereo_Count	0
42839	Total_Formal_Charge	0
57227	Mono_Isotopic_Weight	250.191937398
16759993	Rotatable_Bond_Count	4
123400613	Defined_Bond_Stereo_Count	0
70700401	Rotatable_Bond_Count	3
21996	Defined_Bond_Stereo_Count	0
84647594	Hydrogen_Bond_Donor_Count	1
44295739	Hydrogen_Bond_Acceptor_Count	8
25087171	Exact_Mass	184.952958
5460797	Covalent_Unit_Count	1
525	Defined_Atom_Stereo_Count	0
12669	Tautomer_Count	1
13314	Hydrogen_Bond_Donor_Count	1
12313170	Hydrogen_Bond_Acceptor_Count	10
9583	Total_Formal_Charge	0
7111	Isotope_Atom_Count	0
65784	Defined_Bond_Stereo_Count	0
11544171	Defined_Atom_Stereo_Count	0
5353593	Defined_Bond_Stereo_Count	1
88406	Undefined_Atom_Stereo_Count	0
92268	Rotatable_Bond_Count	0
84506	Exact_Mass	234.06405680
3301	Hydrogen_Bond_Donor_Count	2
55958	Structure_Complexity	411
10350317	Undefined_Atom_Stereo_Count	0
91475	Rotatable_Bond_Count	2
11917	Hydrogen_Bond_Acceptor_Count	1
77845	Defined_Atom_Stereo_Count	0
534258	TPSA	20.2
23667546	Defined_Atom_Stereo_Count	3
51754	Undefined_Atom_Stereo_Count	1
21023677	Molecular_Weight	114.19
7017101	Undefined_Atom_Stereo_Count	0
660	Defined_Bond_Stereo_Count	0
12100	Non-hydrogen_Atom_Count	9
53687318	Undefined_Atom_Stereo_Count	0
24706	Molecular_Weight	608.8
11550005	Undefined_Atom_Stereo_Count	2
70103	Total_Formal_Charge	0
23187765	Covalent_Unit_Count	1
23663390	Total_Formal_Charge	0
15565709	Mono_Isotopic_Weight	406.06588
23694671	Undefined_Bond_Stereo_Count	0
89753	Rotatable_Bond_Count	8
12572713	Hydrogen_Bond_Acceptor_Count	3
394128	Structure_Complexity	563
123298319	Non-hydrogen_Atom_Count	7
11535547	Mono_Isotopic_Weight	98.036779430
53717135	Exact_Mass	98.073164938
82839	Rotatable_Bond_Count	0
65984620	Mono_Isotopic_Weight	112.052429494
5299	Rotatable_Bond_Count	6
137212229	Defined_Bond_Stereo_Count	0
3084049	Exact_Mass	799.22325494
6634	Mono_Isotopic_Weight	284.0134744
54045	Undefined_Atom_Stereo_Count	0
77572	Covalent_Unit_Count	1
3488	Defined_Atom_Stereo_Count	0
53245646	XLogP3-AA	3.1
76292	Undefined_Atom_Stereo_Count	0
9850056	Defined_Bond_Stereo_Count	0
20309174	Defined_Bond_Stereo_Count	0
6992788	Undefined_Bond_Stereo_Count	0
23989	Tautomer_Count	70
34001	Undefined_Atom_Stereo_Count	0
54684141	Total_Formal_Charge	0
2209	Molecular_Weight	162.3
70697365	Defined_Atom_Stereo_Count	0
6099917	Non-hydrogen_Atom_Count	12
10129911	Undefined_Atom_Stereo_Count	1
129320410	Undefined_Atom_Stereo_Count	1
5362894	Hydrogen_Bond_Donor_Count	0
17572160	Defined_Bond_Stereo_Count	9
9543026	Exact_Mass	821.12577494
7984	Structure_Complexity	201
25171876	Defined_Bond_Stereo_Count	0
545093	Exact_Mass	86.073164938
2675	Hydrogen_Bond_Acceptor_Count	12
14536436	Isotope_Atom_Count	0
29025	TPSA	17.1
19868281	Structure_Complexity	103
2735049	Mono_Isotopic_Weight	306.03038692
9852904	Non-hydrogen_Atom_Count	47
946793	Exact_Mass	324.14739250
18622	Covalent_Unit_Count	1
5281078	Molecular_Weight	433.5
517321	Molecular_Weight	330.8
66057	Non-hydrogen_Atom_Count	7
19065601	Isotope_Atom_Count	0
12303048	Molecular_Weight	897.8
8354	Undefined_Bond_Stereo_Count	0
81226	Exact_Mass	119.02185764
148201	Total_Formal_Charge	0
22636790	Rotatable_Bond_Count	3
1795	Molecular_Weight	299.76
4915	Mono_Isotopic_Weight	221.152812238
54152819	Molecular_Weight	109.09
61396	Hydrogen_Bond_Donor_Count	1
409347	Structure_Complexity	363
5365247	Undefined_Atom_Stereo_Count	0
69109362	Hydrogen_Bond_Acceptor_Count	3
14355861	Isotope_Atom_Count	0
71653	Defined_Atom_Stereo_Count	0
555	Exact_Mass	144.102453689
74325	XLogP3	1.3
449223	Undefined_Atom_Stereo_Count	0
46853632	Non-hydrogen_Atom_Count	34
101254315	Undefined_Atom_Stereo_Count	0
10324367	Covalent_Unit_Count	1
246598	Defined_Bond_Stereo_Count	0
4402	Non-hydrogen_Atom_Count	24
155903765	Hydrogen_Bond_Donor_Count	4
7814	Exact_Mass	108.068748264
55287187	Undefined_Atom_Stereo_Count	0
562729	Molecular_Weight	192.21
68979856	Defined_Bond_Stereo_Count	0
59348	XLogP3-AA	2.5
67278	Hydrogen_Bond_Donor_Count	1
49791	Hydrogen_Bond_Donor_Count	3
9825084	Total_Formal_Charge	0
129830033	Molecular_Weight	240.56
3264	Exact_Mass	356.19875937
6492	Isotope_Atom_Count	0
19427867	Rotatable_Bond_Count	0
71210	Mono_Isotopic_Weight	227.094628657
44126034	Total_Formal_Charge	0
123618563	Hydrogen_Bond_Donor_Count	0
6331630	Total_Formal_Charge	0
9813119	Tautomer_Count	1
472335	Non-hydrogen_Atom_Count	29
131695	Rotatable_Bond_Count	6
82153	Isotope_Atom_Count	0
36890	Tautomer_Count	2
167451	Mono_Isotopic_Weight	383.1167324
139062526	Structure_Complexity	376
51055169	Covalent_Unit_Count	1
23349	Covalent_Unit_Count	1
119036	Exact_Mass	139.136099547
163304497	Mono_Isotopic_Weight	852.15113847
140655119	Hydrogen_Bond_Donor_Count	1
94179	Hydrogen_Bond_Acceptor_Count	3
4418	TPSA	45.2
4191617	XLogP3	2.1
91121093	Undefined_Atom_Stereo_Count	0
11234	Non-hydrogen_Atom_Count	16
66906036	Undefined_Bond_Stereo_Count	0
12694	Molecular_Weight	127.95
108956	Non-hydrogen_Atom_Count	37
21312986	Exact_Mass	112.063662883
20298594	XLogP3-AA	0.3
132201306	Rotatable_Bond_Count	15
21470	Hydrogen_Bond_Donor_Count	0
528856	Rotatable_Bond_Count	6
673970	Defined_Bond_Stereo_Count	0
108313	Hydrogen_Bond_Donor_Count	0
5885	Molecular_Weight	743.4
74040195	Exact_Mass	97.052763847
9885692	Rotatable_Bond_Count	4
7980	Covalent_Unit_Count	1
61363	Structure_Complexity	1610
54686187	Defined_Bond_Stereo_Count	0
94011387	Mono_Isotopic_Weight	342.11621151
139088080	Non-hydrogen_Atom_Count	21
9971980	Covalent_Unit_Count	2
5273569	Defined_Atom_Stereo_Count	0
2676	Undefined_Bond_Stereo_Count	1
44366214	TPSA	349
12705072	TPSA	20.2
135444614	Mono_Isotopic_Weight	350.18550935
28060	Isotope_Atom_Count	0
46897877	Isotope_Atom_Count	0
17253	Structure_Complexity	427
60196371	Covalent_Unit_Count	1
21827	Total_Formal_Charge	0
947097	Hydrogen_Bond_Donor_Count	1
306131	Covalent_Unit_Count	1
6419719	Mono_Isotopic_Weight	101.011292958
63656079	Undefined_Bond_Stereo_Count	0
328883	TPSA	46.5
117781134	Isotope_Atom_Count	0
10461263	Undefined_Atom_Stereo_Count	1
12682	Isotope_Atom_Count	0
13416	Defined_Bond_Stereo_Count	0
57441994	Undefined_Atom_Stereo_Count	0
793266	Total_Formal_Charge	0
129711468	Covalent_Unit_Count	1
3032396	Mono_Isotopic_Weight	623.21150888
5702698	Defined_Bond_Stereo_Count	3
38085	Molecular_Weight	313.15
543879	Tautomer_Count	3
78320408	Mono_Isotopic_Weight	518.25047541
90225710	Isotope_Atom_Count	0
68929	Exact_Mass	288.17254462
21345781	Non-hydrogen_Atom_Count	6
56841628	Undefined_Bond_Stereo_Count	0
24917008	Covalent_Unit_Count	1
893947	Hydrogen_Bond_Acceptor_Count	2
6437808	Undefined_Bond_Stereo_Count	0
11055399	Undefined_Bond_Stereo_Count	0
67899	Defined_Bond_Stereo_Count	0
11758093	Defined_Bond_Stereo_Count	0
154354742	Rotatable_Bond_Count	3
40030	Defined_Bond_Stereo_Count	0
72554	Molecular_Weight	392.5
64061	Undefined_Bond_Stereo_Count	0
101744	Total_Formal_Charge	0
557816	Mono_Isotopic_Weight	112.052429494
246511	Molecular_Weight	271.35
5486971	Defined_Atom_Stereo_Count	1
78383862	TPSA	74.6
87877	Hydrogen_Bond_Acceptor_Count	1
13073879	Exact_Mass	116.083729621
19309	Defined_Bond_Stereo_Count	0
55285991	Non-hydrogen_Atom_Count	8
111036	Tautomer_Count	1
53921527	TPSA	26.3
3035187	Hydrogen_Bond_Acceptor_Count	5
11957696	Undefined_Bond_Stereo_Count	0
82322	Isotope_Atom_Count	0
102120416	Structure_Complexity	966
728	Hydrogen_Bond_Donor_Count	0
10654175	Mono_Isotopic_Weight	97.052763847
13546	Covalent_Unit_Count	1
71209	Total_Formal_Charge	0
88294	Hydrogen_Bond_Acceptor_Count	4
53503	Tautomer_Count	1
802	Isotope_Atom_Count	0
68009554	Molecular_Weight	342.30
53484514	Non-hydrogen_Atom_Count	6
9948588	Exact_Mass	309.184112366
66093	Rotatable_Bond_Count	4
69462056	Non-hydrogen_Atom_Count	8
21717212	Rotatable_Bond_Count	6
6595	Defined_Atom_Stereo_Count	0
72566	Defined_Atom_Stereo_Count	0
448537	Structure_Complexity	286
442021	TPSA	51.2
77676	Total_Formal_Charge	0
23634441	Defined_Atom_Stereo_Count	0
25526	XLogP3-AA	4.2
60044711	Isotope_Atom_Count	0
49857672	Covalent_Unit_Count	1
24866519	Undefined_Atom_Stereo_Count	0
57521916	Total_Formal_Charge	0
102090390	Isotope_Atom_Count	0
61510	Isotope_Atom_Count	0
87298	Structure_Complexity	124
362	Rotatable_Bond_Count	0
29498	Total_Formal_Charge	0
17898580	Hydrogen_Bond_Acceptor_Count	2
1252759	Exact_Mass	152.120115130
123870	Undefined_Atom_Stereo_Count	1
852344	Covalent_Unit_Count	1
12998	Structure_Complexity	89.5
10180799	Defined_Bond_Stereo_Count	0
129600762	Undefined_Atom_Stereo_Count	0
1140	Undefined_Atom_Stereo_Count	0
96034	Molecular_Weight	99.17
75931	Total_Formal_Charge	0
59295974	Mono_Isotopic_Weight	581.1154122
15600	Covalent_Unit_Count	1
60196421	Rotatable_Bond_Count	17
21123938	Mono_Isotopic_Weight	410.18417193
81732	Total_Formal_Charge	0
13226747	Hydrogen_Bond_Acceptor_Count	0
13306877	Total_Formal_Charge	0
5282948	Undefined_Bond_Stereo_Count	0
64107	Tautomer_Count	8
54335228	XLogP3-AA	0.2
9327	Undefined_Atom_Stereo_Count	0
117616350	Defined_Atom_Stereo_Count	6
16272	Mono_Isotopic_Weight	180.95271
5324776	Molecular_Weight	98.10
14868106	Isotope_Atom_Count	0
91826865	Non-hydrogen_Atom_Count	12
137118	Tautomer_Count	1
73707427	Structure_Complexity	688
91412269	Structure_Complexity	262
136120826	Mono_Isotopic_Weight	98.02286070
10953450	TPSA	30.2
10297818	Hydrogen_Bond_Donor_Count	3
97627066	Covalent_Unit_Count	1
99069	Covalent_Unit_Count	1
56673014	Isotope_Atom_Count	0
5352771	Rotatable_Bond_Count	11
72323	Covalent_Unit_Count	1
77992	Non-hydrogen_Atom_Count	18
413528	Non-hydrogen_Atom_Count	19
853747	XLogP3-AA	2.6
118946	Defined_Bond_Stereo_Count	0
9158	Defined_Bond_Stereo_Count	0
18759351	Isotope_Atom_Count	0
3497012	Undefined_Atom_Stereo_Count	0
13247	XLogP3	2.8
91996283	Covalent_Unit_Count	3
9868491	TPSA	76
194338	Defined_Bond_Stereo_Count	0
84599	Defined_Atom_Stereo_Count	0
78422638	Defined_Bond_Stereo_Count	0
163090692	Rotatable_Bond_Count	11
3639	Non-hydrogen_Atom_Count	17
102262612	Structure_Complexity	514
32681	Defined_Bond_Stereo_Count	0
20648653	XLogP3-AA	0.9
11815	Isotope_Atom_Count	0
19283	Non-hydrogen_Atom_Count	34
139149	Covalent_Unit_Count	1
57417608	Hydrogen_Bond_Acceptor_Count	1
83167	Structure_Complexity	299
7642	Defined_Bond_Stereo_Count	0
58335291	Molecular_Weight	98.14
25106	Undefined_Bond_Stereo_Count	0
55473	Non-hydrogen_Atom_Count	26
11567707	Total_Formal_Charge	0
3958	TPSA	61.7
54692950	Covalent_Unit_Count	1
656587	Total_Formal_Charge	0
68489225	Hydrogen_Bond_Acceptor_Count	6
465951	Hydrogen_Bond_Donor_Count	1
62705688	Covalent_Unit_Count	1
8670	Hydrogen_Bond_Donor_Count	1
1097	Covalent_Unit_Count	1
135873450	Molecular_Weight	520.16
2752638	Hydrogen_Bond_Donor_Count	2
98175	TPSA	27.7
6041	TPSA	52.5
570673	Non-hydrogen_Atom_Count	15
9494	Defined_Atom_Stereo_Count	0
7320	Undefined_Atom_Stereo_Count	0
66624088	TPSA	54.7
667448	Molecular_Weight	324.4
52949373	Hydrogen_Bond_Donor_Count	2
30824	Defined_Bond_Stereo_Count	0
20334570	Rotatable_Bond_Count	2
45356890	Covalent_Unit_Count	1
45488110	Structure_Complexity	722
16212479	Hydrogen_Bond_Acceptor_Count	7
1489495	Defined_Atom_Stereo_Count	0
138335	Non-hydrogen_Atom_Count	8
56270	Non-hydrogen_Atom_Count	18
86747	Non-hydrogen_Atom_Count	30
23677989	Molecular_Weight	751.8
101906815	Hydrogen_Bond_Donor_Count	0
138979	Defined_Atom_Stereo_Count	0
506015	TPSA	122
17780743	Mono_Isotopic_Weight	117.078978594
65819	Rotatable_Bond_Count	2
2734411	Molecular_Weight	787.4
18715987	Rotatable_Bond_Count	3
23677979	Molecular_Weight	208.21
91700388	Isotope_Atom_Count	0
134692450	Exact_Mass	580.15345715
73306	Defined_Bond_Stereo_Count	0
12394845	Total_Formal_Charge	0
69340949	Structure_Complexity	151
60196380	Undefined_Bond_Stereo_Count	0
6492	Undefined_Bond_Stereo_Count	0
227456	Defined_Atom_Stereo_Count	0
612743	Defined_Atom_Stereo_Count	0
9577	Total_Formal_Charge	0
20530042	Isotope_Atom_Count	0
91749	Non-hydrogen_Atom_Count	15
32495	Undefined_Bond_Stereo_Count	0
249778	XLogP3-AA	0.1
88091	TPSA	20.2
52731	Rotatable_Bond_Count	8
362	TPSA	40.5
114523	Tautomer_Count	1
143686076	Defined_Bond_Stereo_Count	0
130026523	Structure_Complexity	121
21885122	Structure_Complexity	228
41257	Defined_Bond_Stereo_Count	0
11498	Undefined_Atom_Stereo_Count	0
26898	Mono_Isotopic_Weight	290.235813585
57644703	Isotope_Atom_Count	0
57037620	Covalent_Unit_Count	1
5362736	Molecular_Weight	236.39
25271979	Structure_Complexity	405
92023654	Hydrogen_Bond_Acceptor_Count	14
89185	Covalent_Unit_Count	1
101191397	Undefined_Atom_Stereo_Count	1
441975	Undefined_Bond_Stereo_Count	0
82741	Mono_Isotopic_Weight	133.110278721
24884255	Isotope_Atom_Count	0
16129681	Defined_Atom_Stereo_Count	0
3085106	Covalent_Unit_Count	2
11523	Isotope_Atom_Count	0
53324426	Total_Formal_Charge	0
98675	Mono_Isotopic_Weight	254.260965704
9415	Defined_Bond_Stereo_Count	0
96095	Non-hydrogen_Atom_Count	16
52931256	Structure_Complexity	927
23332	Structure_Complexity	604
159603	Isotope_Atom_Count	0
18744	Isotope_Atom_Count	0
78819	Defined_Bond_Stereo_Count	0
598777	XLogP3-AA	1.5
88239551	TPSA	26
91700388	XLogP3-AA	2.5
5377793	Mono_Isotopic_Weight	268.121177757
51051642	Mono_Isotopic_Weight	861.37829941
84975	Undefined_Atom_Stereo_Count	0
162148	Rotatable_Bond_Count	2
44359653	Hydrogen_Bond_Acceptor_Count	18
75864	XLogP3-AA	1.2
10889178	Mono_Isotopic_Weight	210.0196052
57417230	Hydrogen_Bond_Acceptor_Count	12
89261068	Molecular_Weight	114.15
5465	XLogP3	2.8
194953	Mono_Isotopic_Weight	202.09535693
175967	Isotope_Atom_Count	0
57992058	Hydrogen_Bond_Acceptor_Count	5
68658	Mono_Isotopic_Weight	312.1007480
58654632	Structure_Complexity	32.9
16399	TPSA	20.2
72139	Isotope_Atom_Count	0
26442	TPSA	38.3
1738	Rotatable_Bond_Count	3
124769753	Hydrogen_Bond_Donor_Count	1
541123	XLogP3	1.7
448126	Isotope_Atom_Count	0
52654	Non-hydrogen_Atom_Count	18
31227	Defined_Bond_Stereo_Count	0
72728690	TPSA	33
3085129	Non-hydrogen_Atom_Count	29
19077516	Molecular_Weight	430.9
44123456	Defined_Bond_Stereo_Count	0
69674285	Defined_Atom_Stereo_Count	0
5770	Hydrogen_Bond_Donor_Count	1
13348970	TPSA	67.2
6930	Undefined_Atom_Stereo_Count	0
67512	Rotatable_Bond_Count	0
12201511	Non-hydrogen_Atom_Count	8
961	Structure_Complexity	0
449381	Hydrogen_Bond_Donor_Count	3
11358	Mono_Isotopic_Weight	185.96803
316724	Exact_Mass	240.115029749
7168	Non-hydrogen_Atom_Count	15
31298	Total_Formal_Charge	0
6438151	Hydrogen_Bond_Acceptor_Count	14
23158703	Mono_Isotopic_Weight	387.15426879
21702741	Total_Formal_Charge	0
44560772	Undefined_Atom_Stereo_Count	0
12082259	Covalent_Unit_Count	1
149784	Hydrogen_Bond_Donor_Count	2
8271	Covalent_Unit_Count	1
3720192	Rotatable_Bond_Count	1
75059709	Total_Formal_Charge	0
67944	Molecular_Weight	214.3
13765	Total_Formal_Charge	0
17579	Tautomer_Count	1
13761352	XLogP3-AA	1.3
257950	Isotope_Atom_Count	0
141959525	Hydrogen_Bond_Donor_Count	1
14286	Hydrogen_Bond_Donor_Count	0
78959	Total_Formal_Charge	0
71625272	Structure_Complexity	464
208924	Mono_Isotopic_Weight	313.1193192
81261	Undefined_Atom_Stereo_Count	0
22047	Undefined_Bond_Stereo_Count	0
80045	Hydrogen_Bond_Acceptor_Count	2
27868	TPSA	26.3
2870	Total_Formal_Charge	0
13083763	Rotatable_Bond_Count	1
18759	Covalent_Unit_Count	1
9862176	Tautomer_Count	1
6438361	Hydrogen_Bond_Donor_Count	2
107950	Mono_Isotopic_Weight	278.07793079
129027658	XLogP3-AA	1.4
11815824	XLogP3-AA	1.5
69578	Covalent_Unit_Count	1
10358218	Rotatable_Bond_Count	6
10963	Structure_Complexity	51.2
59296100	Molecular_Weight	460.9
625	Rotatable_Bond_Count	8
12226	Hydrogen_Bond_Acceptor_Count	1
30664	Total_Formal_Charge	0
9903944	Total_Formal_Charge	0
71515466	Rotatable_Bond_Count	36
15926139	Non-hydrogen_Atom_Count	11
11355437	Isotope_Atom_Count	0
134860471	Rotatable_Bond_Count	1
59189059	Covalent_Unit_Count	1
73608879	Undefined_Bond_Stereo_Count	0
858712	Covalent_Unit_Count	1
337310	XLogP3-AA	0.2
139591683	XLogP3-AA	7.3
5484286	Undefined_Atom_Stereo_Count	0
71762	Undefined_Atom_Stereo_Count	8
12875216	Non-hydrogen_Atom_Count	56
1311	Undefined_Bond_Stereo_Count	0
90735699	Mono_Isotopic_Weight	111.068413911
120096	Isotope_Atom_Count	0
6658	TPSA	26.3
85663349	Defined_Atom_Stereo_Count	0
18050	Structure_Complexity	62.7
8507	Undefined_Atom_Stereo_Count	0
15221251	Non-hydrogen_Atom_Count	23
25124826	Undefined_Bond_Stereo_Count	0
12210512	Hydrogen_Bond_Donor_Count	0
88359	Exact_Mass	112.063662883
8907	Exact_Mass	298.287180451
158150	Undefined_Bond_Stereo_Count	0
5284347	Covalent_Unit_Count	2
256591	TPSA	26.3
6918111	Exact_Mass	328.1917559
69990	Structure_Complexity	148
101321425	Undefined_Atom_Stereo_Count	1
54681623	Structure_Complexity	600
7845	Undefined_Atom_Stereo_Count	0
10209	Exact_Mass	174.068079557
15731	Isotope_Atom_Count	0
4144353	Defined_Atom_Stereo_Count	0
118210311	Mono_Isotopic_Weight	110.011627311
6433	Defined_Atom_Stereo_Count	0
2890	Total_Formal_Charge	0
19284	Rotatable_Bond_Count	16
82891	Undefined_Atom_Stereo_Count	0
122760	Exact_Mass	116.01566732
45026	Isotope_Atom_Count	0
70385	Undefined_Atom_Stereo_Count	0
35908	TPSA	41.6
69885	Hydrogen_Bond_Donor_Count	0
22065792	Exact_Mass	71.0304345
11383075	Hydrogen_Bond_Acceptor_Count	6
74859	Structure_Complexity	48
138801	Molecular_Weight	274.5
492767	Exact_Mass	333.1066465
11126191	Molecular_Weight	102.13
11083864	Exact_Mass	114.068079557
19693	Total_Formal_Charge	0
56955281	Rotatable_Bond_Count	3
23130211	Isotope_Atom_Count	0
424747	Molecular_Weight	298.4
67419859	Rotatable_Bond_Count	11
36217	TPSA	179
45073462	Mono_Isotopic_Weight	448.1109187
398595	Mono_Isotopic_Weight	321.17796
46936192	Isotope_Atom_Count	0
10887840	Defined_Bond_Stereo_Count	0
101088599	Defined_Bond_Stereo_Count	2
11263478	Molecular_Weight	110.15
24672	Undefined_Atom_Stereo_Count	0
44563066	TPSA	84.7
69448	Rotatable_Bond_Count	2
83478502	Hydrogen_Bond_Acceptor_Count	3
135409471	Molecular_Weight	314.17
13046623	Hydrogen_Bond_Acceptor_Count	1
20811708	XLogP3-AA	1.6
3165	Structure_Complexity	364
57131110	Hydrogen_Bond_Acceptor_Count	1
71739	Mono_Isotopic_Weight	298.168127949
5282494	Isotope_Atom_Count	0
3017748	Molecular_Weight	191.12
5480431	Undefined_Bond_Stereo_Count	0
46841215	Rotatable_Bond_Count	7
134715447	Rotatable_Bond_Count	15
471360	Hydrogen_Bond_Donor_Count	0
4557	Total_Formal_Charge	0
70281073	Total_Formal_Charge	0
2617	Isotope_Atom_Count	0
177955	Hydrogen_Bond_Acceptor_Count	4
70949	TPSA	57.5
9839657	Undefined_Bond_Stereo_Count	0
5464262	Mono_Isotopic_Weight	570.0888804
182069	Undefined_Bond_Stereo_Count	0
6794	Covalent_Unit_Count	3
5234	Hydrogen_Bond_Donor_Count	0
53893636	Molecular_Weight	83.13
16078	Non-hydrogen_Atom_Count	23
89332529	Exact_Mass	180.06338810
49865859	Defined_Bond_Stereo_Count	0
67045	Undefined_Atom_Stereo_Count	0
41264	Defined_Atom_Stereo_Count	0
10113978	Undefined_Atom_Stereo_Count	0
2823078	Rotatable_Bond_Count	4
53674625	Mono_Isotopic_Weight	114.042927438
7924	Isotope_Atom_Count	0
72506564	Exact_Mass	93.021463719
12266	Non-hydrogen_Atom_Count	7
381117	TPSA	112
12307804	Covalent_Unit_Count	1
137203329	Non-hydrogen_Atom_Count	13
1745	Hydrogen_Bond_Donor_Count	2
126843096	XLogP3-AA	1
67548	TPSA	20.2
39223	Isotope_Atom_Count	0
468	TPSA	113
72693	Total_Formal_Charge	0
52948146	Total_Formal_Charge	0
24688	Non-hydrogen_Atom_Count	8
54758035	Molecular_Weight	490.6
649852	Total_Formal_Charge	0
5330790	Mono_Isotopic_Weight	394.06596576
8018	Mono_Isotopic_Weight	75.068413911
14714336	Hydrogen_Bond_Acceptor_Count	1
44129648	Molecular_Weight	418.5
21946307	Defined_Bond_Stereo_Count	0
656587	TPSA	59.1
77999	Exact_Mass	357.11471265
134931805	XLogP3-AA	0.8
18597	Defined_Atom_Stereo_Count	0
7862	Defined_Atom_Stereo_Count	0
4912932	Isotope_Atom_Count	0
11945	Total_Formal_Charge	0
10823	Structure_Complexity	61.4
702186	Defined_Bond_Stereo_Count	0
70235	Mono_Isotopic_Weight	98.073164938
131749560	Exact_Mass	164.139901825
59751	Isotope_Atom_Count	0
4011	Covalent_Unit_Count	1
390	Tautomer_Count	3
51253	Hydrogen_Bond_Acceptor_Count	2
54283855	Hydrogen_Bond_Donor_Count	2
3795601	Isotope_Atom_Count	0
46174070	Undefined_Bond_Stereo_Count	0
99477	Tautomer_Count	3
28424	Undefined_Atom_Stereo_Count	0
19935381	Molecular_Weight	110.15
89613815	XLogP3-AA	0.9
164179927	Hydrogen_Bond_Donor_Count	4
20483617	Non-hydrogen_Atom_Count	8
448400	Undefined_Bond_Stereo_Count	0
23450	Tautomer_Count	6
262352	Hydrogen_Bond_Donor_Count	1
2100	Molecular_Weight	919.0
69095	Hydrogen_Bond_Acceptor_Count	6
3036443	Defined_Atom_Stereo_Count	4
138402871	Rotatable_Bond_Count	11
62770	Isotope_Atom_Count	0
11967617	Hydrogen_Bond_Acceptor_Count	12
66673773	Rotatable_Bond_Count	0
5064	Undefined_Atom_Stereo_Count	4
162883453	Rotatable_Bond_Count	6
23667636	Defined_Atom_Stereo_Count	0
196672	Defined_Atom_Stereo_Count	5
6437392	Defined_Bond_Stereo_Count	2
46240	TPSA	41.9
122172945	Defined_Atom_Stereo_Count	11
19736124	TPSA	41.5
3363251	Hydrogen_Bond_Acceptor_Count	2
5353853	Non-hydrogen_Atom_Count	26
4148881	Hydrogen_Bond_Acceptor_Count	1
60196296	Molecular_Weight	292.5
23973	Defined_Bond_Stereo_Count	0
3777650	TPSA	65.1
123803633	Molecular_Weight	342.30
11534837	Undefined_Bond_Stereo_Count	0
59772	Defined_Atom_Stereo_Count	0
5727	Defined_Atom_Stereo_Count	0
17849680	Isotope_Atom_Count	0
4306436	Structure_Complexity	436
13215601	Molecular_Weight	88.11
2210	Hydrogen_Bond_Acceptor_Count	4
54693468	Hydrogen_Bond_Acceptor_Count	6
3141	Defined_Atom_Stereo_Count	0
6433417	XLogP3-AA	1
6137	Isotope_Atom_Count	0
123608	Undefined_Bond_Stereo_Count	0
54429687	Rotatable_Bond_Count	1
10013505	Rotatable_Bond_Count	1
219077	Hydrogen_Bond_Donor_Count	0
145984	Defined_Atom_Stereo_Count	3
1312	Defined_Bond_Stereo_Count	0
4164	Exact_Mass	271.06669983
4567	Hydrogen_Bond_Donor_Count	3
11858153	TPSA	138
644078	Mono_Isotopic_Weight	568.50667527
57370084	Defined_Atom_Stereo_Count	5
19220	Mono_Isotopic_Weight	189.115364102
2051	Mono_Isotopic_Weight	315.0774544
23151396	Hydrogen_Bond_Donor_Count	2
145607000	Defined_Bond_Stereo_Count	0
56487	TPSA	59.1
149208291	TPSA	21.9
10473088	TPSA	98
72015	Tautomer_Count	4
709156	Hydrogen_Bond_Donor_Count	0
95434	Defined_Atom_Stereo_Count	0
1005	Exact_Mass	167.98237487
7156900	Defined_Bond_Stereo_Count	0
167195	Structure_Complexity	0
772	Hydrogen_Bond_Donor_Count	15
69440016	Non-hydrogen_Atom_Count	44
2905	Non-hydrogen_Atom_Count	21
16412	TPSA	28.3
10627323	TPSA	105
123894108	Exact_Mass	101.084063974
24825253	Undefined_Bond_Stereo_Count	0
78236	Non-hydrogen_Atom_Count	10
75024	Isotope_Atom_Count	0
4707	Hydrogen_Bond_Acceptor_Count	5
20140	Tautomer_Count	3
40784491	Non-hydrogen_Atom_Count	11
5479	Defined_Bond_Stereo_Count	0
21702782	Hydrogen_Bond_Donor_Count	0
13397	TPSA	20.2
141300213	Non-hydrogen_Atom_Count	8
44400351	Molecular_Weight	432.5
11244031	Hydrogen_Bond_Acceptor_Count	3
169371	Exact_Mass	440.15566577
3085017	Tautomer_Count	1
168076	Rotatable_Bond_Count	2
20543	Rotatable_Bond_Count	10
17884	Undefined_Bond_Stereo_Count	0
78576	Mono_Isotopic_Weight	189.126597491
164877	XLogP3-AA	5
22601	Hydrogen_Bond_Donor_Count	1
11414	Mono_Isotopic_Weight	233.86798
42754	Covalent_Unit_Count	1
57417071	TPSA	115
15626755	Isotope_Atom_Count	0
705978	Isotope_Atom_Count	0
8110	Exact_Mass	99.068413911
4008	TPSA	117
38768	Isotope_Atom_Count	0
197856	Defined_Bond_Stereo_Count	0
64369	Rotatable_Bond_Count	3
104276777	TPSA	9.2
54585641	Undefined_Atom_Stereo_Count	0
6450232	Total_Formal_Charge	0
1135	Total_Formal_Charge	0
342681	Undefined_Atom_Stereo_Count	0
564996	Defined_Atom_Stereo_Count	0
22081030	Isotope_Atom_Count	0
33558	Hydrogen_Bond_Donor_Count	0
86711	XLogP3-AA	4.9
68662	Isotope_Atom_Count	0
73246	Hydrogen_Bond_Donor_Count	4
7530950	Hydrogen_Bond_Donor_Count	0
21519427	Non-hydrogen_Atom_Count	8
13149570	Non-hydrogen_Atom_Count	8
9266	Molecular_Weight	112.21
78225491	TPSA	75.2
450484	Molecular_Weight	393.21
148350	Undefined_Atom_Stereo_Count	1
20311319	Rotatable_Bond_Count	0
1549789	Non-hydrogen_Atom_Count	18
3198	Non-hydrogen_Atom_Count	24
130122663	Mono_Isotopic_Weight	109.052763847
11182575	Molecular_Weight	98.14
18670	Rotatable_Bond_Count	22
57939635	Defined_Bond_Stereo_Count	0
641385	Exact_Mass	453.02218945
45358084	Covalent_Unit_Count	2
1141	Total_Formal_Charge	0
2734903	TPSA	58.2
47491	Structure_Complexity	514
20226563	Total_Formal_Charge	0
2484	TPSA	3.2
358299	Rotatable_Bond_Count	2
2819635	Undefined_Bond_Stereo_Count	0
39688	Undefined_Atom_Stereo_Count	0
873450	Hydrogen_Bond_Acceptor_Count	4
682529	Undefined_Bond_Stereo_Count	0
59110799	Defined_Bond_Stereo_Count	0
22219016	TPSA	123
3082754	Undefined_Bond_Stereo_Count	0
19049960	Non-hydrogen_Atom_Count	7
23678591	Defined_Atom_Stereo_Count	0
160534	Molecular_Weight	102.09
5222465	Total_Formal_Charge	0
7926	Total_Formal_Charge	0
8854	XLogP3	0
83093	Isotope_Atom_Count	0
46841499	TPSA	139
72200722	Covalent_Unit_Count	1
13092476	Non-hydrogen_Atom_Count	8
121207552	Defined_Bond_Stereo_Count	0
14008744	Mono_Isotopic_Weight	117.078978594
24848325	Isotope_Atom_Count	0
45117185	Mono_Isotopic_Weight	208.109944368
68289010	Undefined_Atom_Stereo_Count	0
41020	TPSA	49.2
33463	Tautomer_Count	2
62923	Undefined_Bond_Stereo_Count	0
76292	Isotope_Atom_Count	0
44590403	Defined_Atom_Stereo_Count	0
292184	Defined_Bond_Stereo_Count	0
10369242	TPSA	147
17071	Covalent_Unit_Count	1
11611114	Total_Formal_Charge	0
13566	Undefined_Bond_Stereo_Count	0
76198	Rotatable_Bond_Count	3
123585399	Mono_Isotopic_Weight	97.052763847
10407120	Non-hydrogen_Atom_Count	28
833992	Undefined_Bond_Stereo_Count	0
453077	XLogP3-AA	3.2
15214552	Hydrogen_Bond_Acceptor_Count	2
154515685	Covalent_Unit_Count	1
141315890	Undefined_Bond_Stereo_Count	0
58153375	Non-hydrogen_Atom_Count	6
7707	Covalent_Unit_Count	1
66597	Undefined_Atom_Stereo_Count	0
9943908	Exact_Mass	255.1026065
76324338	Covalent_Unit_Count	1
35949	Total_Formal_Charge	0
3766	XLogP3-AA	5.2
22644568	Undefined_Atom_Stereo_Count	0
13532837	Isotope_Atom_Count	0
85608271	Hydrogen_Bond_Acceptor_Count	2
167266	Rotatable_Bond_Count	1
9953769	Non-hydrogen_Atom_Count	31
53707229	Mono_Isotopic_Weight	94.041864811
17840535	Exact_Mass	85.089149355
136871	TPSA	9.2
13748845	Exact_Mass	405.21403034
28936	Mono_Isotopic_Weight	425.94662
119716	Exact_Mass	143.167399674
76217	Undefined_Bond_Stereo_Count	0
22988955	TPSA	26.3
150901	Rotatable_Bond_Count	1
441261	Undefined_Atom_Stereo_Count	0
11825335	Mono_Isotopic_Weight	391.1350495
55287187	Isotope_Atom_Count	0
9829419	Structure_Complexity	903
60961	Tautomer_Count	3
443310	Mono_Isotopic_Weight	852.38063989
4126	Undefined_Atom_Stereo_Count	4
5516	Molecular_Weight	406.0
6918589	Exact_Mass	853.35208467
3000391	Rotatable_Bond_Count	0
197581	Molecular_Weight	711.4
9953	TPSA	83.6
72200940	Hydrogen_Bond_Donor_Count	1
97127	Structure_Complexity	290
53682689	Molecular_Weight	98.14
22909	Non-hydrogen_Atom_Count	21
568445	Defined_Atom_Stereo_Count	0
443369	Undefined_Atom_Stereo_Count	8
83150	Hydrogen_Bond_Donor_Count	2
21648	Undefined_Bond_Stereo_Count	0
32731	Hydrogen_Bond_Acceptor_Count	6
59823	Undefined_Atom_Stereo_Count	1
114961	Hydrogen_Bond_Acceptor_Count	5
55973	XLogP3	3.4
32836	Exact_Mass	291.859703
2762919	Defined_Bond_Stereo_Count	0
239377	Isotope_Atom_Count	0
18646844	Hydrogen_Bond_Acceptor_Count	11
138986956	Undefined_Atom_Stereo_Count	0
20936	Exact_Mass	204.10064299
22023476	Total_Formal_Charge	0
307	Mono_Isotopic_Weight	132.057514874
342737	Structure_Complexity	590
162955682	Rotatable_Bond_Count	4
18755630	TPSA	9.2
11869	XLogP3	2.9
441302	Undefined_Atom_Stereo_Count	0
12604	Rotatable_Bond_Count	10
7177	Total_Formal_Charge	0
35740	Mono_Isotopic_Weight	1287.5856
69840958	Non-hydrogen_Atom_Count	7
4369414	Non-hydrogen_Atom_Count	27
16134956	Tautomer_Count	1000
53670643	TPSA	72.2
134688044	Hydrogen_Bond_Acceptor_Count	3
14181658	Defined_Atom_Stereo_Count	4
263639	Mono_Isotopic_Weight	112.088815002
7773	Hydrogen_Bond_Donor_Count	0
2734819	Undefined_Atom_Stereo_Count	0
29685	Isotope_Atom_Count	0
5368010	Undefined_Atom_Stereo_Count	1
15374	Hydrogen_Bond_Acceptor_Count	2
13027931	Non-hydrogen_Atom_Count	8
46889118	Undefined_Atom_Stereo_Count	0
340	Covalent_Unit_Count	1
31250	Defined_Bond_Stereo_Count	0
15589	Rotatable_Bond_Count	2
61749380	Mono_Isotopic_Weight	112.088815002
13400658	Isotope_Atom_Count	0
12192	Hydrogen_Bond_Donor_Count	0
29249	Mono_Isotopic_Weight	326.19156599
6440180	Covalent_Unit_Count	1
57387	Tautomer_Count	1
604767	Mono_Isotopic_Weight	244.08644602
24950594	Rotatable_Bond_Count	4
76376	Undefined_Bond_Stereo_Count	0
96935	Defined_Atom_Stereo_Count	0
91365800	Structure_Complexity	96.3
13867125	Molecular_Weight	288.4
164705778	Molecular_Weight	342.30
3035451	Defined_Atom_Stereo_Count	4
123492457	Hydrogen_Bond_Acceptor_Count	0
64962	Isotope_Atom_Count	0
129851046	Rotatable_Bond_Count	5
22523	Defined_Bond_Stereo_Count	0
659840	Non-hydrogen_Atom_Count	19
11064502	Hydrogen_Bond_Acceptor_Count	7
17607	Non-hydrogen_Atom_Count	5
65923	Isotope_Atom_Count	0
25164108	Total_Formal_Charge	0
3745420	Covalent_Unit_Count	1
23662139	Exact_Mass	138.02928836
91666359	Total_Formal_Charge	0
65302	Structure_Complexity	1110
108137	TPSA	50.3
23674	Undefined_Atom_Stereo_Count	0
9852201	Covalent_Unit_Count	1
21594228	Non-hydrogen_Atom_Count	38
13356643	Hydrogen_Bond_Donor_Count	1
56955068	Defined_Bond_Stereo_Count	0
160944	Covalent_Unit_Count	2
12110098	Defined_Bond_Stereo_Count	0
3000516	Mono_Isotopic_Weight	378.11668211
44556162	XLogP3-AA	6.2
681701	Total_Formal_Charge	0
1498	Molecular_Weight	327.4
106757	XLogP3-AA	0.6
70385	Isotope_Atom_Count	0
447405	Structure_Complexity	534
15448	XLogP3	4.5
91464153	Mono_Isotopic_Weight	111.032028402
12367843	Mono_Isotopic_Weight	108.093900383
163685	Structure_Complexity	511
9571109	Mono_Isotopic_Weight	395.068258
5324	Defined_Atom_Stereo_Count	0
21103	Structure_Complexity	235
29629	Mono_Isotopic_Weight	160.109944368
9409	Mono_Isotopic_Weight	959.9824113
15080	Covalent_Unit_Count	1
5948958	Non-hydrogen_Atom_Count	31
6473741	Total_Formal_Charge	0
14112079	TPSA	40.5
74791	XLogP3	3.7
24439	Structure_Complexity	36.8
11527282	XLogP3-AA	5.1
33099	Defined_Atom_Stereo_Count	0
6415	Molecular_Weight	296.74
176870	Covalent_Unit_Count	1
13123887	Hydrogen_Bond_Acceptor_Count	2
657250	Mono_Isotopic_Weight	665.30474055
54332784	Total_Formal_Charge	0
9128	XLogP3	6.4
101711052	Defined_Atom_Stereo_Count	5
649230	Hydrogen_Bond_Donor_Count	0
1394	Rotatable_Bond_Count	21
10564696	Defined_Bond_Stereo_Count	0
21162823	Exact_Mass	102.068079557
18622366	Undefined_Bond_Stereo_Count	0
2826036	Hydrogen_Bond_Acceptor_Count	4
8413	Exact_Mass	212.131348519
25116191	Rotatable_Bond_Count	6
19494	Hydrogen_Bond_Acceptor_Count	2
9931	Mono_Isotopic_Weight	305.177964357
101625661	Non-hydrogen_Atom_Count	29
70381	TPSA	29.1
101916	Isotope_Atom_Count	0
44421047	Molecular_Weight	924.1
24266	Mono_Isotopic_Weight	143.93644758
187888	Hydrogen_Bond_Acceptor_Count	4
74070	Rotatable_Bond_Count	5
56613357	Rotatable_Bond_Count	0
440121	Undefined_Bond_Stereo_Count	0
135398003	Hydrogen_Bond_Acceptor_Count	3
124159802	Defined_Bond_Stereo_Count	0
5328	Structure_Complexity	349
68494	Exact_Mass	286.05897142
96701	Hydrogen_Bond_Donor_Count	1
67713	Total_Formal_Charge	0
54700	Rotatable_Bond_Count	9
24450	Total_Formal_Charge	0
10756746	Hydrogen_Bond_Acceptor_Count	6
44246477	Defined_Bond_Stereo_Count	0
126830	Molecular_Weight	226.31
3383	Hydrogen_Bond_Donor_Count	2
389521	Isotope_Atom_Count	0
14685	Defined_Bond_Stereo_Count	0
66684	Hydrogen_Bond_Acceptor_Count	6
15480	Undefined_Bond_Stereo_Count	0
56840960	Undefined_Atom_Stereo_Count	1
45120378	Mono_Isotopic_Weight	111.068413911
7873	Molecular_Weight	290.19
13885286	TPSA	101
3222	Isotope_Atom_Count	0
7551	Isotope_Atom_Count	0
1964	TPSA	83.8
12062	TPSA	89.3
10775	Defined_Bond_Stereo_Count	0
23010495	Mono_Isotopic_Weight	284.16237386
5905	Structure_Complexity	386
657210	Exact_Mass	203.0713064
22277879	Hydrogen_Bond_Donor_Count	0
11366	Non-hydrogen_Atom_Count	27
25522	Defined_Atom_Stereo_Count	3
127736	Hydrogen_Bond_Acceptor_Count	6
31799	Undefined_Atom_Stereo_Count	1
11233	Rotatable_Bond_Count	3
427842	Defined_Bond_Stereo_Count	0
54687420	Molecular_Weight	249.19
23056	Non-hydrogen_Atom_Count	25
6673	Rotatable_Bond_Count	0
69537	Covalent_Unit_Count	1
456222	Hydrogen_Bond_Acceptor_Count	4
25273609	Molecular_Weight	388.9
20035294	Isotope_Atom_Count	0
56622517	Molecular_Weight	116.16
49993	Hydrogen_Bond_Donor_Count	0
688091	Molecular_Weight	214.24
62835	Rotatable_Bond_Count	0
456058	Molecular_Weight	735.0
22310945	Hydrogen_Bond_Acceptor_Count	3
5107	Exact_Mass	458.23179083
11654876	Total_Formal_Charge	0
24705	Exact_Mass	236.10840961
950	Mono_Isotopic_Weight	137.084063974
71072118	Mono_Isotopic_Weight	508.1695764
169371	TPSA	219
710762	Defined_Bond_Stereo_Count	0
89785	Hydrogen_Bond_Donor_Count	2
67259543	XLogP3-AA	1.2
22024864	Structure_Complexity	97.1
44563178	Rotatable_Bond_Count	5
64302	Structure_Complexity	1100
118984402	Mono_Isotopic_Weight	456.32261721
197883	TPSA	76.6
43057	Hydrogen_Bond_Donor_Count	1
69601	Exact_Mass	116.062600255
444853	Mono_Isotopic_Weight	460.20971797
89445694	XLogP3-AA	0.4
49865973	Undefined_Atom_Stereo_Count	0
321054	Molecular_Weight	486.5
7055	TPSA	0
53302285	Non-hydrogen_Atom_Count	7
9806190	Tautomer_Count	42
57751150	Molecular_Weight	113.11
80528	Molecular_Weight	128.56
23914	Covalent_Unit_Count	1
44154280	Tautomer_Count	6
21753162	Structure_Complexity	74.1
80519	Undefined_Atom_Stereo_Count	0
2998624	Isotope_Atom_Count	0
156963389	Hydrogen_Bond_Donor_Count	25
38622	Tautomer_Count	2
6481	Defined_Atom_Stereo_Count	0
545830	Undefined_Bond_Stereo_Count	0
5288588	Mono_Isotopic_Weight	298.1236763
67248938	Total_Formal_Charge	0
2967	Tautomer_Count	3
57004451	Defined_Atom_Stereo_Count	0
987	Rotatable_Bond_Count	10
140905	Structure_Complexity	80.4
89512131	Isotope_Atom_Count	0
6786	Defined_Bond_Stereo_Count	0
22720	Exact_Mass	103.099714038
449107	Structure_Complexity	708
14379924	Rotatable_Bond_Count	1
929262	Tautomer_Count	2
70400	Molecular_Weight	242.1
77529	Molecular_Weight	247.03
21465770	Isotope_Atom_Count	0
43006	Defined_Bond_Stereo_Count	0
3068840	Non-hydrogen_Atom_Count	27
16219042	Hydrogen_Bond_Acceptor_Count	2
6610	Defined_Bond_Stereo_Count	0
61057	Non-hydrogen_Atom_Count	13
35020890	TPSA	74.6
12084878	Hydrogen_Bond_Donor_Count	0
23673461	Isotope_Atom_Count	0
11886769	Covalent_Unit_Count	1
182677	Defined_Bond_Stereo_Count	0
573419	TPSA	34.9
6441082	Undefined_Atom_Stereo_Count	0
16075	XLogP3	1.8
144021791	Non-hydrogen_Atom_Count	8
2764838	Hydrogen_Bond_Donor_Count	0
11494412	Defined_Atom_Stereo_Count	2
154214	Isotope_Atom_Count	0
20039106	Non-hydrogen_Atom_Count	7
53641062	Undefined_Atom_Stereo_Count	0
5284650	Non-hydrogen_Atom_Count	15
81261	Undefined_Bond_Stereo_Count	0
138323	Exact_Mass	98.073164938
137814	Covalent_Unit_Count	1
27368	Covalent_Unit_Count	1
2588	Covalent_Unit_Count	1
11054	Isotope_Atom_Count	0
69086581	Defined_Atom_Stereo_Count	0
26383	Hydrogen_Bond_Donor_Count	1
29339	Isotope_Atom_Count	0
2211	Molecular_Weight	262.4
25074469	Hydrogen_Bond_Acceptor_Count	21
139307343	Undefined_Bond_Stereo_Count	0
449169	Rotatable_Bond_Count	11
33196	Non-hydrogen_Atom_Count	22
35384	Structure_Complexity	411
5359596	Rotatable_Bond_Count	0
79309	Mono_Isotopic_Weight	184.0403406
31134	Defined_Bond_Stereo_Count	0
54405	Structure_Complexity	442
2741	Hydrogen_Bond_Donor_Count	1
41432	XLogP3	0.1
13250495	Undefined_Bond_Stereo_Count	0
84098	Isotope_Atom_Count	0
641005	Exact_Mass	116.120115130
19917	Covalent_Unit_Count	1
46205407	Exact_Mass	648.31346959
181511	Hydrogen_Bond_Donor_Count	2
68304261	Mono_Isotopic_Weight	482.0597731
10073306	Defined_Bond_Stereo_Count	0
19743370	Molecular_Weight	116.16
11496886	Hydrogen_Bond_Donor_Count	3
71402	Defined_Bond_Stereo_Count	0
57390868	Total_Formal_Charge	0
524670	TPSA	0
54682938	Undefined_Bond_Stereo_Count	0
6973664	XLogP3-AA	3
3436	Defined_Bond_Stereo_Count	0
95559	Non-hydrogen_Atom_Count	8
448601	Covalent_Unit_Count	1
54226	Defined_Atom_Stereo_Count	0
136059	Defined_Bond_Stereo_Count	0
249006	Non-hydrogen_Atom_Count	8
41353	Rotatable_Bond_Count	6
163488608	Structure_Complexity	113
13006129	Defined_Atom_Stereo_Count	4
9805430	Defined_Atom_Stereo_Count	4
11549937	Structure_Complexity	1750
5354284	Undefined_Bond_Stereo_Count	0
12369	Molecular_Weight	179.10
83644	Undefined_Bond_Stereo_Count	0
6641	TPSA	18.5
90498	Isotope_Atom_Count	0
5279171	Structure_Complexity	634
60196378	Covalent_Unit_Count	2
63650	Exact_Mass	603.16337
14679813	Molecular_Weight	645.8
23058060	XLogP3-AA	1.7
10171487	TPSA	73.4
7454	Hydrogen_Bond_Donor_Count	0
1133320	Structure_Complexity	573
20626690	Hydrogen_Bond_Donor_Count	1
3003004	Defined_Atom_Stereo_Count	0
13724272	Isotope_Atom_Count	0
5279171	Defined_Bond_Stereo_Count	0
18049	Tautomer_Count	1
145705715	Undefined_Bond_Stereo_Count	2
84776	Tautomer_Count	1
61833	Rotatable_Bond_Count	0
56619338	Non-hydrogen_Atom_Count	12
32438	Undefined_Atom_Stereo_Count	1
57751145	Hydrogen_Bond_Donor_Count	1
5481350	Covalent_Unit_Count	1
49849523	Covalent_Unit_Count	1
40468	Non-hydrogen_Atom_Count	17
37906	Hydrogen_Bond_Acceptor_Count	3
52949760	Hydrogen_Bond_Acceptor_Count	4
81451	Defined_Bond_Stereo_Count	0
53316418	Isotope_Atom_Count	0
446276	Non-hydrogen_Atom_Count	26
85538179	Undefined_Atom_Stereo_Count	0
69674601	XLogP3-AA	0.2
5289159	Molecular_Weight	305.4
4498	Molecular_Weight	129.16
688667	Exact_Mass	282.08920892
155742	TPSA	40.5
29025	Undefined_Atom_Stereo_Count	2
21655019	Rotatable_Bond_Count	0
14795102	Hydrogen_Bond_Donor_Count	1
7971	Mono_Isotopic_Weight	95.037113783
54713659	Tautomer_Count	6
192630	Total_Formal_Charge	0
96160	Exact_Mass	69.057849228
165154846	Structure_Complexity	139
86435	Covalent_Unit_Count	1
9952396	Mono_Isotopic_Weight	391.24710654
6452127	Defined_Atom_Stereo_Count	4
102452877	Exact_Mass	106.078250319
54581335	Rotatable_Bond_Count	4
46943323	Hydrogen_Bond_Acceptor_Count	6
92110	Rotatable_Bond_Count	4
10898663	Structure_Complexity	55.7
57503849	Undefined_Bond_Stereo_Count	0
60196314	Defined_Atom_Stereo_Count	1
8255	Exact_Mass	56.062600255
6527	TPSA	44.8
5461	Isotope_Atom_Count	0
53317503	Hydrogen_Bond_Acceptor_Count	7
8091	Defined_Atom_Stereo_Count	0
135019886	Hydrogen_Bond_Donor_Count	8
219096	Undefined_Atom_Stereo_Count	2
519514	Hydrogen_Bond_Donor_Count	1
638026	Undefined_Atom_Stereo_Count	0
4659387	TPSA	99.9
155907170	Undefined_Atom_Stereo_Count	0
5281612	Mono_Isotopic_Weight	300.06338810
62143	Undefined_Atom_Stereo_Count	0
54187438	TPSA	26
61996	Rotatable_Bond_Count	6
837924	Hydrogen_Bond_Acceptor_Count	3
24848783	TPSA	93.1
101526	Hydrogen_Bond_Donor_Count	3
23422	Hydrogen_Bond_Donor_Count	8
32343	Defined_Bond_Stereo_Count	0
3033673	Hydrogen_Bond_Donor_Count	2
9800555	Defined_Bond_Stereo_Count	1
17277	Undefined_Atom_Stereo_Count	0
8446	Exact_Mass	149.02992040
23581869	Non-hydrogen_Atom_Count	26
6908	XLogP3	4.6
61539	Hydrogen_Bond_Acceptor_Count	0
713762	Defined_Atom_Stereo_Count	0
22833389	Undefined_Bond_Stereo_Count	0
520902	Undefined_Atom_Stereo_Count	0
480785	Defined_Bond_Stereo_Count	0
68009554	Hydrogen_Bond_Donor_Count	8
445715	Total_Formal_Charge	0
135569018	Undefined_Bond_Stereo_Count	0
23783	TPSA	9.2
75068	Non-hydrogen_Atom_Count	7
69913	Molecular_Weight	224.21
3973230	Defined_Atom_Stereo_Count	0
46936900	Defined_Atom_Stereo_Count	3
135398599	Undefined_Atom_Stereo_Count	0
14528851	Molecular_Weight	112.17
49867832	Undefined_Bond_Stereo_Count	0
11173	Hydrogen_Bond_Acceptor_Count	1
18539784	Defined_Bond_Stereo_Count	0
13727	Total_Formal_Charge	0
133621	Structure_Complexity	275
109318	Isotope_Atom_Count	0
58506875	Total_Formal_Charge	0
91635	Defined_Atom_Stereo_Count	0
62475	Defined_Bond_Stereo_Count	0
7058029	Exact_Mass	148.088815002
165359778	Defined_Bond_Stereo_Count	2
126514322	Total_Formal_Charge	0
217	Mono_Isotopic_Weight	299.00722369
22408669	Hydrogen_Bond_Donor_Count	2
22718913	Hydrogen_Bond_Donor_Count	0
123744867	TPSA	27.1
5475	Undefined_Atom_Stereo_Count	0
129642209	Covalent_Unit_Count	2
16051942	XLogP3-AA	3.8
159778730	Undefined_Bond_Stereo_Count	0
26574	Molecular_Weight	58.81
92258	Defined_Bond_Stereo_Count	0
58870	Hydrogen_Bond_Donor_Count	2
25912	Undefined_Atom_Stereo_Count	0
12110	Defined_Atom_Stereo_Count	0
10295970	Structure_Complexity	523
7090	Hydrogen_Bond_Acceptor_Count	2
11431912	Exact_Mass	495.26208790
46693	Undefined_Atom_Stereo_Count	1
11040	Undefined_Atom_Stereo_Count	1
1549018	Molecular_Weight	164.24
4707	Mono_Isotopic_Weight	329.02761
112499971	Molecular_Weight	674.5
66081	Defined_Bond_Stereo_Count	0
5702609	Exact_Mass	264.13615911
94570	Total_Formal_Charge	0
31336	Non-hydrogen_Atom_Count	24
23690943	Tautomer_Count	6
517859	Molecular_Weight	110.15
135436542	Total_Formal_Charge	0
319343	Undefined_Bond_Stereo_Count	0
33184	Hydrogen_Bond_Acceptor_Count	2
8005	Non-hydrogen_Atom_Count	5
21930812	Non-hydrogen_Atom_Count	9
7588	Exact_Mass	298.168127949
9601896	Tautomer_Count	1
668081	Non-hydrogen_Atom_Count	24
8991	Hydrogen_Bond_Donor_Count	1
12564	Rotatable_Bond_Count	1
1098	Non-hydrogen_Atom_Count	62
11254352	TPSA	138
8443	Non-hydrogen_Atom_Count	11
15671365	Undefined_Bond_Stereo_Count	0
11241881	Undefined_Bond_Stereo_Count	0
3796	Molecular_Weight	455.10
9294	Structure_Complexity	121
150841	Rotatable_Bond_Count	2
6918988	Hydrogen_Bond_Donor_Count	2
35398	Hydrogen_Bond_Donor_Count	3
11596983	Exact_Mass	422.21066147
16957	Undefined_Atom_Stereo_Count	0
81445	Rotatable_Bond_Count	0
142507	Total_Formal_Charge	0
3050428	Covalent_Unit_Count	1
88035683	TPSA	44.6
121892	Exact_Mass	303.13830499
135398495	Exact_Mass	381.19132300
11979956	Rotatable_Bond_Count	20
32594	TPSA	35
44320150	Defined_Atom_Stereo_Count	6
57401195	Non-hydrogen_Atom_Count	30
571973	Undefined_Atom_Stereo_Count	0
27893	Undefined_Atom_Stereo_Count	1
2647	Structure_Complexity	715
99922	Tautomer_Count	5
3085401	Molecular_Weight	246.34
21832123	TPSA	51.8
14960	Structure_Complexity	1620
5289158	Rotatable_Bond_Count	2
140999	Mono_Isotopic_Weight	85.089149355
47824	Defined_Atom_Stereo_Count	0
5160	Isotope_Atom_Count	0
22132384	Isotope_Atom_Count	0
102351	Covalent_Unit_Count	1
7939	TPSA	51.8
57397810	Defined_Bond_Stereo_Count	0
9180	Exact_Mass	229.089149355
56682411	Isotope_Atom_Count	0
1548886	Undefined_Bond_Stereo_Count	0
1396	Hydrogen_Bond_Acceptor_Count	7
165	Defined_Atom_Stereo_Count	0
5462508	Covalent_Unit_Count	1
146159824	Mono_Isotopic_Weight	284.16237386
61574	Hydrogen_Bond_Acceptor_Count	3
84975	Defined_Atom_Stereo_Count	0
401171	Non-hydrogen_Atom_Count	17
10844548	Non-hydrogen_Atom_Count	8
157042408	Non-hydrogen_Atom_Count	8
6484	Undefined_Atom_Stereo_Count	0
17994055	TPSA	74.9
47267	Hydrogen_Bond_Donor_Count	0
43226	TPSA	46
70848	Undefined_Atom_Stereo_Count	0
126975912	Undefined_Bond_Stereo_Count	0
25223	TPSA	26
90703052	Undefined_Atom_Stereo_Count	0
13157	Total_Formal_Charge	0
73820465	Mono_Isotopic_Weight	482.15768240
14712340	XLogP3-AA	1.2
6914282	Covalent_Unit_Count	1
26235	Non-hydrogen_Atom_Count	21
11229	Total_Formal_Charge	0
6277	Undefined_Bond_Stereo_Count	0
12739608	XLogP3-AA	2.8
14178853	Non-hydrogen_Atom_Count	30
22099238	Hydrogen_Bond_Donor_Count	2
42623223	Structure_Complexity	543
5358751	Defined_Bond_Stereo_Count	5
111314	Defined_Bond_Stereo_Count	0
62425	Covalent_Unit_Count	3
67850	Hydrogen_Bond_Donor_Count	0
90818	Hydrogen_Bond_Acceptor_Count	1
5505	TPSA	83.6
93321	Molecular_Weight	348.5
50129	Total_Formal_Charge	0
410029	Exact_Mass	308.9644758
6992032	Non-hydrogen_Atom_Count	21
5288615	Defined_Atom_Stereo_Count	1
53643410	Defined_Bond_Stereo_Count	0
18355900	Defined_Atom_Stereo_Count	0
65591	Isotope_Atom_Count	0
445	Tautomer_Count	1
71584165	Hydrogen_Bond_Acceptor_Count	6
57928403	Hydrogen_Bond_Donor_Count	4
2737358	Covalent_Unit_Count	1
39929	Non-hydrogen_Atom_Count	17
78236	Isotope_Atom_Count	0
11977753	Molecular_Weight	469.5
11500877	Covalent_Unit_Count	1
53485229	Defined_Bond_Stereo_Count	0
98172	Defined_Atom_Stereo_Count	0
13973072	Total_Formal_Charge	0
23000221	Defined_Atom_Stereo_Count	0
9954410	Hydrogen_Bond_Donor_Count	1
135882	Molecular_Weight	249.39
628202	Hydrogen_Bond_Acceptor_Count	10
647120	Hydrogen_Bond_Acceptor_Count	5
72004	Defined_Atom_Stereo_Count	4
20277171	Defined_Bond_Stereo_Count	0
7156900	Non-hydrogen_Atom_Count	23
131954773	Hydrogen_Bond_Acceptor_Count	9
18467	Rotatable_Bond_Count	1
214347	Structure_Complexity	452
689	Non-hydrogen_Atom_Count	28
73455777	Undefined_Atom_Stereo_Count	2
11978813	TPSA	73
16723	Molecular_Weight	160.09
65130	Undefined_Bond_Stereo_Count	0
54466147	TPSA	29.5
102470202	TPSA	264
688	TPSA	146
18921	Mono_Isotopic_Weight	209.90002
161988362	Exact_Mass	112.088815002
140083	XLogP3-AA	0.9
6455792	Undefined_Bond_Stereo_Count	0
10555	Covalent_Unit_Count	1
21255899	Isotope_Atom_Count	0
7642	Rotatable_Bond_Count	22
3740	Molecular_Weight	1215.8
30981	TPSA	54
15721166	Rotatable_Bond_Count	1
23687325	Defined_Atom_Stereo_Count	4
6441388	TPSA	127
59283	Undefined_Atom_Stereo_Count	0
66756281	Hydrogen_Bond_Donor_Count	3
3033877	Defined_Atom_Stereo_Count	0
57445155	Undefined_Atom_Stereo_Count	0
70065832	Isotope_Atom_Count	0
11954359	Defined_Bond_Stereo_Count	0
223579	Defined_Bond_Stereo_Count	0
20150	Hydrogen_Bond_Donor_Count	0
87535084	Mono_Isotopic_Weight	114.068079557
23167053	TPSA	59
6441082	Tautomer_Count	2
91264731	Covalent_Unit_Count	1
165340026	Undefined_Bond_Stereo_Count	0
11715766	Undefined_Bond_Stereo_Count	0
656612	Exact_Mass	370.0150477
139058315	Structure_Complexity	537
76539	Total_Formal_Charge	0
61622	Undefined_Bond_Stereo_Count	0
50741839	Structure_Complexity	1020
3494	Defined_Atom_Stereo_Count	0
123494194	Covalent_Unit_Count	1
15008962	Tautomer_Count	1
585174	TPSA	37.3
135398654	Molecular_Weight	241.25
138733	Rotatable_Bond_Count	0
16005120	Hydrogen_Bond_Donor_Count	1
64666310	Rotatable_Bond_Count	3
54255838	Non-hydrogen_Atom_Count	8
89335	Non-hydrogen_Atom_Count	14
53867497	Molecular_Weight	261.10
14200416	Defined_Bond_Stereo_Count	0
44455117	Mono_Isotopic_Weight	377.11218768
53869158	Defined_Bond_Stereo_Count	0
1299	Non-hydrogen_Atom_Count	15
2724951	TPSA	58.2
3362	Defined_Atom_Stereo_Count	0
2415	Total_Formal_Charge	0
978766	Covalent_Unit_Count	1
6230	TPSA	37.3
17806836	Defined_Bond_Stereo_Count	0
22833502	Total_Formal_Charge	0
6971070	Exact_Mass	179.03443370
23040	Total_Formal_Charge	0
44187	TPSA	271
8438	Mono_Isotopic_Weight	150.031694049
3084014	Covalent_Unit_Count	2
147336409	Mono_Isotopic_Weight	94.078250319
11174599	Defined_Atom_Stereo_Count	9
24642	Undefined_Atom_Stereo_Count	0
91754427	Covalent_Unit_Count	4
7042	Molecular_Weight	128.13
4628	Non-hydrogen_Atom_Count	19
6585	Non-hydrogen_Atom_Count	5
93050	Rotatable_Bond_Count	3
117791208	Structure_Complexity	57.7
40781	Non-hydrogen_Atom_Count	18
69967	Tautomer_Count	1
688930	Non-hydrogen_Atom_Count	20
55286731	Undefined_Bond_Stereo_Count	0
5881	Hydrogen_Bond_Donor_Count	1
11349505	Exact_Mass	379.0888035
54726191	Covalent_Unit_Count	1
9835049	Undefined_Bond_Stereo_Count	0
129636048	Defined_Atom_Stereo_Count	6
13364	TPSA	3.2
25201794	Non-hydrogen_Atom_Count	25
20662793	XLogP3-AA	1.1
21666609	Mono_Isotopic_Weight	99.068413911
21953621	Isotope_Atom_Count	0
12708563	Structure_Complexity	62.8
5367222	Undefined_Atom_Stereo_Count	0
5917	Exact_Mass	138.090546336
86806	TPSA	199
153939	XLogP3-AA	1.4
70278898	Total_Formal_Charge	0
23661014	Defined_Bond_Stereo_Count	0
375912	Hydrogen_Bond_Acceptor_Count	1
72685	Rotatable_Bond_Count	3
57174138	Rotatable_Bond_Count	2
443868	Structure_Complexity	917
17913	Total_Formal_Charge	0
6055	Rotatable_Bond_Count	4
98876	TPSA	127
12100	Hydrogen_Bond_Acceptor_Count	0
12731	Exact_Mass	148.023320
33728341	Covalent_Unit_Count	1
73759809	XLogP3-AA	5.9
59034276	Exact_Mass	180.06338810
154269	Covalent_Unit_Count	1
15100753	Hydrogen_Bond_Donor_Count	0
11581936	Molecular_Weight	392.5
13134	Molecular_Weight	126.05
123542114	Mono_Isotopic_Weight	99.068413911
19879775	XLogP3-AA	2.1
104930	Defined_Bond_Stereo_Count	0
53738849	Molecular_Weight	112.09
520305	Defined_Atom_Stereo_Count	0
85924947	Defined_Bond_Stereo_Count	0
13170	Structure_Complexity	254
5464924	Defined_Bond_Stereo_Count	0
11355438	Hydrogen_Bond_Acceptor_Count	2
6809	Hydrogen_Bond_Donor_Count	1
170317	Total_Formal_Charge	0
15565266	Exact_Mass	111.043261792
85325038	Isotope_Atom_Count	0
24699	Defined_Atom_Stereo_Count	0
11194308	Structure_Complexity	72.9
529277	XLogP3-AA	2.5
45116617	Mono_Isotopic_Weight	101.084063974
16329	Tautomer_Count	1
129747104	Defined_Bond_Stereo_Count	0
10330532	Hydrogen_Bond_Donor_Count	1
11566378	Hydrogen_Bond_Donor_Count	2
7747	Hydrogen_Bond_Acceptor_Count	3
154225133	Defined_Bond_Stereo_Count	0
155560570	Undefined_Bond_Stereo_Count	0
5365794	Exact_Mass	226.193280068
153241	Defined_Atom_Stereo_Count	1
23488	TPSA	26
67434749	Undefined_Bond_Stereo_Count	0
24762228	Defined_Atom_Stereo_Count	2
135421442	Molecular_Weight	516.7
15942713	Non-hydrogen_Atom_Count	33
60974	Undefined_Bond_Stereo_Count	1
6576	Covalent_Unit_Count	1
101836	Total_Formal_Charge	0
296464	Defined_Bond_Stereo_Count	0
91259187	Total_Formal_Charge	0
25552	Undefined_Bond_Stereo_Count	0
12303662	Isotope_Atom_Count	0
135080	Total_Formal_Charge	0
9826528	Rotatable_Bond_Count	7
122214397	Undefined_Atom_Stereo_Count	0
27402	Tautomer_Count	1
448513	Defined_Bond_Stereo_Count	0
5045	Undefined_Atom_Stereo_Count	0
91469448	Rotatable_Bond_Count	0
1379	Defined_Bond_Stereo_Count	0
21850	Hydrogen_Bond_Acceptor_Count	5
521076	Exact_Mass	100.088815002
494519	Mono_Isotopic_Weight	399.13180201
123226	Molecular_Weight	142.11
438	TPSA	70.4
139179563	TPSA	18.5
11207	Total_Formal_Charge	0
57123750	Hydrogen_Bond_Donor_Count	5
37393	Molecular_Weight	500.4
101973938	Rotatable_Bond_Count	4
67214	Molecular_Weight	406.4
154734173	Undefined_Bond_Stereo_Count	0
5282215	Total_Formal_Charge	0
14476155	Mono_Isotopic_Weight	324.14739250
11326126	Undefined_Atom_Stereo_Count	0
9892481	Undefined_Atom_Stereo_Count	0
54936	Total_Formal_Charge	0
64502	Molecular_Weight	216.32
5230	Hydrogen_Bond_Donor_Count	2
64647	Total_Formal_Charge	0
2846928	Undefined_Atom_Stereo_Count	0
9815689	Hydrogen_Bond_Acceptor_Count	3
2982	Structure_Complexity	643
70722	Undefined_Bond_Stereo_Count	0
23103323	Defined_Atom_Stereo_Count	0
25192277	Hydrogen_Bond_Acceptor_Count	7
11655511	Defined_Bond_Stereo_Count	0
28125489	Non-hydrogen_Atom_Count	17
24883860	Non-hydrogen_Atom_Count	156
7333	Mono_Isotopic_Weight	239.142247555
71541096	Non-hydrogen_Atom_Count	18
519382	Isotope_Atom_Count	0
47759	Exact_Mass	382.15624311
556498	Mono_Isotopic_Weight	176.120115130
54058074	Undefined_Atom_Stereo_Count	0
661938	Exact_Mass	424.17983545
108888	Total_Formal_Charge	0
21655019	XLogP3-AA	0
22419	Undefined_Bond_Stereo_Count	0
4583824	Exact_Mass	185.060254526
7432	Undefined_Atom_Stereo_Count	0
529268	Defined_Bond_Stereo_Count	0
10313094	Undefined_Bond_Stereo_Count	0
36966	Hydrogen_Bond_Acceptor_Count	8
29228	Defined_Atom_Stereo_Count	0
19547	Undefined_Bond_Stereo_Count	0
21786	Defined_Atom_Stereo_Count	0
14512	Molecular_Weight	112.09
83909	TPSA	29.5
25167777	TPSA	115
155925852	Exact_Mass	820.19737416
70989	Exact_Mass	173.084063974
44558536	Exact_Mass	373.1808568
6195	TPSA	17.1
131709170	Molecular_Weight	1355.4
7081	Structure_Complexity	278
105709961	Hydrogen_Bond_Acceptor_Count	1
36663	Rotatable_Bond_Count	3
33498	Isotope_Atom_Count	0
16667503	Undefined_Bond_Stereo_Count	0
556722	Exact_Mass	108.093900383
85441390	TPSA	9.2
91097771	Molecular_Weight	1202.6
21696199	Non-hydrogen_Atom_Count	7
30771	Defined_Atom_Stereo_Count	0
263	Mono_Isotopic_Weight	74.073164938
5148195	TPSA	29.5
107273	Tautomer_Count	1
21721513	XLogP3-AA	1.9
140732872	Undefined_Atom_Stereo_Count	2
136224833	Non-hydrogen_Atom_Count	69
445382	Undefined_Atom_Stereo_Count	0
16211283	Defined_Bond_Stereo_Count	0
3033860	Defined_Bond_Stereo_Count	1
236745	Covalent_Unit_Count	1
652840	Non-hydrogen_Atom_Count	30
57061367	Total_Formal_Charge	0
60196305	Structure_Complexity	533
10237241	Defined_Bond_Stereo_Count	0
21579141	Total_Formal_Charge	0
11636795	Covalent_Unit_Count	1
155817681	Rotatable_Bond_Count	1
84589	Defined_Atom_Stereo_Count	0
74361	Total_Formal_Charge	0
3905	Covalent_Unit_Count	1
5746387	Structure_Complexity	418
7423	Mono_Isotopic_Weight	138.042927438
72916	Total_Formal_Charge	0
134694146	Defined_Atom_Stereo_Count	6
4808	Defined_Bond_Stereo_Count	0
2734246	Defined_Atom_Stereo_Count	0
196981	Hydrogen_Bond_Acceptor_Count	2
62731702	TPSA	48.9
4323059	Exact_Mass	138.05932639
64737	Undefined_Bond_Stereo_Count	0
10329254	XLogP3-AA	1.2
21870	Hydrogen_Bond_Acceptor_Count	2
1505	Covalent_Unit_Count	1
19940	Total_Formal_Charge	0
68511084	Mono_Isotopic_Weight	465.16542422
130122759	Structure_Complexity	111
56935	Total_Formal_Charge	2
39985	Mono_Isotopic_Weight	340.0269143
20251205	Covalent_Unit_Count	1
15122078	Molecular_Weight	262.07
137747	Covalent_Unit_Count	1
13350797	Defined_Bond_Stereo_Count	0
524236	Structure_Complexity	70.8
92210	Structure_Complexity	72.9
6800	Molecular_Weight	500.64
155971023	Undefined_Bond_Stereo_Count	0
23616669	Undefined_Bond_Stereo_Count	0
92685	Mono_Isotopic_Weight	597.97483
405012	Hydrogen_Bond_Acceptor_Count	3
67420901	Exact_Mass	110.048012819
53237541	Covalent_Unit_Count	1
5281078	Non-hydrogen_Atom_Count	31
163640634	Defined_Bond_Stereo_Count	0
9065	Molecular_Weight	187.66
2774635	Tautomer_Count	1
62369	Undefined_Bond_Stereo_Count	0
91809622	Hydrogen_Bond_Acceptor_Count	8
5414	Mono_Isotopic_Weight	306.24062418
1443	Non-hydrogen_Atom_Count	23
38849	Structure_Complexity	636
72775170	Rotatable_Bond_Count	1
3080772	Mono_Isotopic_Weight	206.08037557
12263801	Mono_Isotopic_Weight	266.178298710
123639879	Structure_Complexity	58.7
676399	Defined_Atom_Stereo_Count	1
1115	Hydrogen_Bond_Donor_Count	8
670	Undefined_Bond_Stereo_Count	0
72332	Exact_Mass	545.26248182
67849558	Total_Formal_Charge	0
62155	Undefined_Bond_Stereo_Count	2
460612	Mono_Isotopic_Weight	304.0745332
5352133	Molecular_Weight	373.27
410906	Undefined_Atom_Stereo_Count	0
147246033	Defined_Atom_Stereo_Count	0
70443535	Covalent_Unit_Count	1
447377	Covalent_Unit_Count	1
205970	Undefined_Atom_Stereo_Count	1
22263119	Rotatable_Bond_Count	1
15667210	Total_Formal_Charge	0
14086017	Defined_Atom_Stereo_Count	0
16224456	Isotope_Atom_Count	0
99027	Structure_Complexity	43.3
6604495	Defined_Bond_Stereo_Count	0
12193680	Covalent_Unit_Count	1
533427	Isotope_Atom_Count	0
12246933	Defined_Atom_Stereo_Count	0
51256	TPSA	0
1551553	TPSA	74.6
1466	Covalent_Unit_Count	1
27993	TPSA	89
88534961	Defined_Atom_Stereo_Count	0
68081	Defined_Bond_Stereo_Count	0
532293	Mono_Isotopic_Weight	229.9901349
81261	Hydrogen_Bond_Acceptor_Count	2
40893	Hydrogen_Bond_Donor_Count	0
89402065	Isotope_Atom_Count	0
111314	Total_Formal_Charge	0
344693	TPSA	37.3
144189552	Exact_Mass	113.047678466
6419708	Non-hydrogen_Atom_Count	22
11976366	Defined_Atom_Stereo_Count	0
17920260	Hydrogen_Bond_Donor_Count	0
69260851	TPSA	53
9446	Covalent_Unit_Count	1
115817	Mono_Isotopic_Weight	412.0262629
11620576	Hydrogen_Bond_Donor_Count	3
60196425	Isotope_Atom_Count	0
158770620	XLogP3-AA	1.8
1202	Covalent_Unit_Count	1
2735001	Mono_Isotopic_Weight	172.07355886
10104005	TPSA	38.4
2156	XLogP3	7.6
87659838	Defined_Atom_Stereo_Count	0
47898	Covalent_Unit_Count	1
146158432	Exact_Mass	531.24683176
5491989	Hydrogen_Bond_Donor_Count	2
154152828	Mono_Isotopic_Weight	92.062600255
5640	Tautomer_Count	3
421	Mono_Isotopic_Weight	208.05917210
49865973	Isotope_Atom_Count	0
54	Hydrogen_Bond_Donor_Count	9
640194	Covalent_Unit_Count	1
69460	Total_Formal_Charge	0
56840896	Structure_Complexity	492
47354	Undefined_Atom_Stereo_Count	1
12406682	Hydrogen_Bond_Acceptor_Count	1
75240	TPSA	38
22961298	Isotope_Atom_Count	0
59841	Total_Formal_Charge	0
4523333	Undefined_Bond_Stereo_Count	0
18048	TPSA	20.2
12040509	Structure_Complexity	533
69501250	TPSA	73.6
17630	Isotope_Atom_Count	0
86412	XLogP3-AA	2.3
7093	Structure_Complexity	110
18384	Covalent_Unit_Count	1
999	Mono_Isotopic_Weight	136.052429494
13754	Tautomer_Count	3
85257	Exact_Mass	94.98029013
5702236	Molecular_Weight	261.34
18477728	Mono_Isotopic_Weight	957.58135632
19860177	Molecular_Weight	99.13
3783165	Non-hydrogen_Atom_Count	7
129894493	Structure_Complexity	2220
9796068	XLogP3-AA	1.3
131057	Molecular_Weight	241.29
69829	Defined_Bond_Stereo_Count	0
57827330	Rotatable_Bond_Count	4
88958947	Isotope_Atom_Count	0
6249	Covalent_Unit_Count	1
1731	Hydrogen_Bond_Donor_Count	2
3082532	Non-hydrogen_Atom_Count	24
2723730	Non-hydrogen_Atom_Count	9
133676174	TPSA	20.2
402035	Non-hydrogen_Atom_Count	32
6957965	TPSA	85.6
21966525	TPSA	38.7
27304	Isotope_Atom_Count	0
49857672	Rotatable_Bond_Count	8
44577611	Undefined_Bond_Stereo_Count	0
62705686	Isotope_Atom_Count	0
5287541	Hydrogen_Bond_Acceptor_Count	6
123565918	Mono_Isotopic_Weight	108.093900383
29656	Hydrogen_Bond_Acceptor_Count	1
54280	Undefined_Bond_Stereo_Count	0
6436015	Defined_Bond_Stereo_Count	2
146160078	Mono_Isotopic_Weight	384.17841785
23994	Undefined_Atom_Stereo_Count	0
6450816	Undefined_Bond_Stereo_Count	0
45356890	Mono_Isotopic_Weight	352.1012268
23433606	Defined_Atom_Stereo_Count	0
19254	Tautomer_Count	5
47318	Rotatable_Bond_Count	1
18714263	Isotope_Atom_Count	0
260707	XLogP3-AA	1.3
390658	Isotope_Atom_Count	0
7019	Total_Formal_Charge	0
6588	Rotatable_Bond_Count	1
56846451	Total_Formal_Charge	0
12632903	Molecular_Weight	83.13
123519634	Non-hydrogen_Atom_Count	8
3727	Hydrogen_Bond_Acceptor_Count	1
5311498	Defined_Bond_Stereo_Count	3
3274	Isotope_Atom_Count	0
89223105	Defined_Atom_Stereo_Count	0
8048	Undefined_Bond_Stereo_Count	0
2936	Exact_Mass	339.99604987
22035328	Total_Formal_Charge	0
21784	Defined_Bond_Stereo_Count	0
20517177	Undefined_Atom_Stereo_Count	0
7024	Covalent_Unit_Count	1
15805370	TPSA	17.1
44395117	Non-hydrogen_Atom_Count	31
103023	Covalent_Unit_Count	1
54332589	Undefined_Bond_Stereo_Count	1
5487713	Defined_Atom_Stereo_Count	0
140442165	Exact_Mass	1201.84136802
146199	Undefined_Atom_Stereo_Count	0
54285963	Undefined_Atom_Stereo_Count	0
91825716	Molecular_Weight	245.32
68135832	Undefined_Bond_Stereo_Count	0
644019	Molecular_Weight	314.5
13480954	Undefined_Bond_Stereo_Count	0
524645	Rotatable_Bond_Count	2
71305058	Undefined_Atom_Stereo_Count	0
133169	Mono_Isotopic_Weight	294.11033829
86656004	Non-hydrogen_Atom_Count	8
100165	Undefined_Atom_Stereo_Count	2
7304	TPSA	4.9
768	Exact_Mass	27.010899036
7870	Molecular_Weight	118.17
9808654	Exact_Mass	592.3059301
91264731	Molecular_Weight	94.15
848	Total_Formal_Charge	0
98047	Defined_Bond_Stereo_Count	0
89664	Undefined_Atom_Stereo_Count	0
8612	XLogP3	2.9
5317	Hydrogen_Bond_Acceptor_Count	8
135473834	Undefined_Bond_Stereo_Count	0
8907	Tautomer_Count	1
5746414	Isotope_Atom_Count	0
58935140	Defined_Atom_Stereo_Count	0
86062	Total_Formal_Charge	0
11594966	Defined_Atom_Stereo_Count	0
11485656	Mono_Isotopic_Weight	375.14953838
198016	Isotope_Atom_Count	0
41743	Hydrogen_Bond_Acceptor_Count	3
2762887	Exact_Mass	113.027691913
71663	Mono_Isotopic_Weight	474.1562462
246916	Undefined_Bond_Stereo_Count	0
5311211	Undefined_Bond_Stereo_Count	0
2766847	Structure_Complexity	151
11513733	Molecular_Weight	82.06
163668741	Total_Formal_Charge	0
50312	Defined_Atom_Stereo_Count	4
53489	Hydrogen_Bond_Donor_Count	2
12817963	XLogP3-AA	0.3
3452818	Undefined_Bond_Stereo_Count	0
89216	Rotatable_Bond_Count	4
69299	Undefined_Bond_Stereo_Count	0
58645437	Isotope_Atom_Count	0
21901092	Exact_Mass	97.016378338
24768019	Non-hydrogen_Atom_Count	34
118972006	Rotatable_Bond_Count	1
575101	Covalent_Unit_Count	1
69488	Defined_Atom_Stereo_Count	0
199968	Isotope_Atom_Count	0
493	Mono_Isotopic_Weight	715.17278544
6432459	Exact_Mass	303.14705815
56654130	TPSA	77.5
40466862	TPSA	163
154222492	Mono_Isotopic_Weight	114.042927438
24182786	Non-hydrogen_Atom_Count	23
96428	Total_Formal_Charge	0
66162	Molecular_Weight	340.4
2543	Total_Formal_Charge	0
22506613	Defined_Bond_Stereo_Count	0
6539985	Covalent_Unit_Count	1
19816937	Molecular_Weight	111.10
6437875	Exact_Mass	215.09060590
10419146	Molecular_Weight	112.17
45488112	Exact_Mass	456.14092497
12754185	Mono_Isotopic_Weight	111.104799419
18936148	Isotope_Atom_Count	0
11972	Defined_Atom_Stereo_Count	0
7429	Defined_Atom_Stereo_Count	0
6662	Undefined_Bond_Stereo_Count	0
4680	Structure_Complexity	407
12671579	TPSA	53
21917311	Structure_Complexity	293
84696	Mono_Isotopic_Weight	509.37250772
5367222	Isotope_Atom_Count	0
18442682	Molecular_Weight	113.16
36272	Hydrogen_Bond_Acceptor_Count	7
102220	Mono_Isotopic_Weight	361.1808568
2521	Non-hydrogen_Atom_Count	45
21493122	Hydrogen_Bond_Donor_Count	1
20387242	Covalent_Unit_Count	1
53943526	Non-hydrogen_Atom_Count	7
23103366	Defined_Atom_Stereo_Count	0
14049689	Tautomer_Count	1
519642	Molecular_Weight	110.18
93221	Non-hydrogen_Atom_Count	51
23916	Non-hydrogen_Atom_Count	10
4175	Isotope_Atom_Count	0
68602320	Non-hydrogen_Atom_Count	8
14907580	XLogP3-AA	0.6
11949652	Isotope_Atom_Count	0
13795	Undefined_Bond_Stereo_Count	0
86443	Undefined_Bond_Stereo_Count	0
60150535	Exact_Mass	378.16919058
5357349	Exact_Mass	101.084063974
2782	Hydrogen_Bond_Donor_Count	0
177323	Defined_Bond_Stereo_Count	0
408536	Undefined_Atom_Stereo_Count	1
26447	TPSA	17.1
134826479	Undefined_Atom_Stereo_Count	0
13570060	Covalent_Unit_Count	1
7493	Rotatable_Bond_Count	2
12598086	Hydrogen_Bond_Donor_Count	5
94865124	Defined_Atom_Stereo_Count	16
49865355	Hydrogen_Bond_Acceptor_Count	4
129633772	Covalent_Unit_Count	1
129673373	Covalent_Unit_Count	1
163781	Tautomer_Count	1000
24755482	Rotatable_Bond_Count	12
3871	Molecular_Weight	344.31
101306917	Hydrogen_Bond_Acceptor_Count	4
243517	Total_Formal_Charge	0
229932	Hydrogen_Bond_Donor_Count	1
129395999	Molecular_Weight	293.4
12003287	Molecular_Weight	180.16
838	Total_Formal_Charge	0
82593534	Undefined_Atom_Stereo_Count	0
12905357	Structure_Complexity	861
42174	Total_Formal_Charge	0
117947097	Exact_Mass	383.04391352
13620760	Undefined_Atom_Stereo_Count	1
73005	Covalent_Unit_Count	1
526739	Exact_Mass	244.20384475
24824	Undefined_Bond_Stereo_Count	0
69827	Hydrogen_Bond_Donor_Count	0
135518082	Covalent_Unit_Count	1
65389	Undefined_Atom_Stereo_Count	0
84589	Hydrogen_Bond_Acceptor_Count	2
641115	Non-hydrogen_Atom_Count	19
156369283	Exact_Mass	196.146329876
101875160	TPSA	32.3
146474223	Covalent_Unit_Count	1
612684	Exact_Mass	218.03275668
1706	Exact_Mass	178.121846464
2358	Exact_Mass	211.04807239
53785673	Defined_Atom_Stereo_Count	0
47	Hydrogen_Bond_Acceptor_Count	3
148931546	Mono_Isotopic_Weight	1201.84136802
5564	Mono_Isotopic_Weight	287.951163
67156338	Covalent_Unit_Count	1
135705228	Defined_Atom_Stereo_Count	0
6620134	Exact_Mass	445.20015635
24721103	Isotope_Atom_Count	0
46780289	Covalent_Unit_Count	1
49862768	Defined_Atom_Stereo_Count	0
54607635	TPSA	183
56955187	Hydrogen_Bond_Donor_Count	1
71355988	Defined_Bond_Stereo_Count	0
13710569	Molecular_Weight	80.13
18726560	Defined_Atom_Stereo_Count	0
22222161	XLogP3-AA	0.5
2723706	XLogP3-AA	1.2
25015692	Rotatable_Bond_Count	7
5382104	Undefined_Atom_Stereo_Count	9
76830	Tautomer_Count	1
171375	Mono_Isotopic_Weight	196.06129390
95456	Hydrogen_Bond_Donor_Count	2
21873177	Hydrogen_Bond_Acceptor_Count	15
7175	Molecular_Weight	180.20
54550804	Exact_Mass	109.052763847
5325574	Covalent_Unit_Count	1
133083713	Covalent_Unit_Count	1
146158568	Mono_Isotopic_Weight	527.23263824
17963336	Undefined_Atom_Stereo_Count	0
31326	Undefined_Bond_Stereo_Count	0
12210512	Non-hydrogen_Atom_Count	6
439286	Tautomer_Count	2
55290159	Exact_Mass	105.078978594
6451450	Mono_Isotopic_Weight	114.068079557
19993419	Hydrogen_Bond_Donor_Count	1
1289	Covalent_Unit_Count	1
679777	Non-hydrogen_Atom_Count	22
11659487	Molecular_Weight	304.4
16069302	Mono_Isotopic_Weight	439.20082506
5365049	Rotatable_Bond_Count	6
54693768	Undefined_Atom_Stereo_Count	2
7065	Structure_Complexity	298
556492	Defined_Bond_Stereo_Count	0
567743	Rotatable_Bond_Count	4
6097028	Exact_Mass	132.02047791
20133182	Structure_Complexity	81.7
98771	Hydrogen_Bond_Acceptor_Count	4
83971	Undefined_Bond_Stereo_Count	0
5312115	Tautomer_Count	1
49517	Rotatable_Bond_Count	18
134688691	Total_Formal_Charge	0
1858	Hydrogen_Bond_Donor_Count	2
10898649	Hydrogen_Bond_Acceptor_Count	2
86620451	Undefined_Atom_Stereo_Count	0
62479	Total_Formal_Charge	0
510	TPSA	140
291703	Mono_Isotopic_Weight	256.109944368
9568628	Molecular_Weight	327.5
6451325	Hydrogen_Bond_Donor_Count	5
5319249	Isotope_Atom_Count	0
7861	Undefined_Bond_Stereo_Count	0
13531383	Tautomer_Count	1
47445	Covalent_Unit_Count	1
17581	Undefined_Atom_Stereo_Count	0
735091	Non-hydrogen_Atom_Count	16
642765	Total_Formal_Charge	0
71464628	TPSA	228
86305	Hydrogen_Bond_Donor_Count	0
83045	Isotope_Atom_Count	0
132031748	Total_Formal_Charge	0
27435	Mono_Isotopic_Weight	217.07389321
8270	Defined_Atom_Stereo_Count	3
3404326	Exact_Mass	209.05875492
87187299	Total_Formal_Charge	0
8446	Defined_Bond_Stereo_Count	0
13643667	Exact_Mass	449.71112
5460819	Total_Formal_Charge	1
736366	Defined_Bond_Stereo_Count	0
21893333	Undefined_Atom_Stereo_Count	2
148335	Defined_Bond_Stereo_Count	0
60840	Rotatable_Bond_Count	4
71890	TPSA	76.7
35810	Molecular_Weight	204.29
251070	TPSA	52.6
66934489	Undefined_Atom_Stereo_Count	2
631468	XLogP3-AA	2.2
31246	Tautomer_Count	2
6918025	Molecular_Weight	1191.4
3000825	Molecular_Weight	324.4
33113	Undefined_Atom_Stereo_Count	0
457302	Exact_Mass	670.31914349
3045335	Undefined_Atom_Stereo_Count	0
60937	Defined_Atom_Stereo_Count	0
44412343	Defined_Bond_Stereo_Count	0
96132	Covalent_Unit_Count	1
44717	Undefined_Bond_Stereo_Count	0
46781343	Total_Formal_Charge	0
60985	Defined_Atom_Stereo_Count	0
11763533	Non-hydrogen_Atom_Count	37
15411	Non-hydrogen_Atom_Count	8
4832	XLogP3-AA	3.6
68610	Hydrogen_Bond_Donor_Count	2
89374436	Mono_Isotopic_Weight	110.036779430
13608	Defined_Atom_Stereo_Count	0
20623556	Structure_Complexity	123
29124	Molecular_Weight	229.28
53808	Structure_Complexity	300
17683	Isotope_Atom_Count	0
53346581	Undefined_Atom_Stereo_Count	0
25273236	Undefined_Atom_Stereo_Count	0
91026652	Total_Formal_Charge	0
65926	Molecular_Weight	204.27
90475888	Exact_Mass	470.99330419
102004571	TPSA	118
125183303	Structure_Complexity	1830
45934203	Rotatable_Bond_Count	9
67568	Defined_Atom_Stereo_Count	0
676328	Defined_Bond_Stereo_Count	0
9430	Undefined_Bond_Stereo_Count	0
5371	Exact_Mass	430.34469533
51030529	Defined_Bond_Stereo_Count	0
4788452	Undefined_Bond_Stereo_Count	0
24958200	Undefined_Atom_Stereo_Count	0
15228410	Hydrogen_Bond_Donor_Count	0
138040	Mono_Isotopic_Weight	71.086075351
9889366	Exact_Mass	438.16469979
592279	Defined_Atom_Stereo_Count	0
5483874	Hydrogen_Bond_Donor_Count	0
11520819	Non-hydrogen_Atom_Count	64
133090	Undefined_Atom_Stereo_Count	1
5484444	Rotatable_Bond_Count	4
7573	Exact_Mass	226.146998583
8519	Tautomer_Count	1
6409631	Defined_Bond_Stereo_Count	0
31132	Undefined_Bond_Stereo_Count	0
14026391	Non-hydrogen_Atom_Count	8
23680156	Total_Formal_Charge	0
12860067	Total_Formal_Charge	0
2321	Non-hydrogen_Atom_Count	42
19871	Hydrogen_Bond_Donor_Count	1
93357	Structure_Complexity	643
25015	Defined_Bond_Stereo_Count	0
16663248	Isotope_Atom_Count	0
65417277	Covalent_Unit_Count	1
625305	Undefined_Atom_Stereo_Count	9
21884945	Undefined_Atom_Stereo_Count	0
4659387	Undefined_Bond_Stereo_Count	0
13480954	Rotatable_Bond_Count	2
68385	Mono_Isotopic_Weight	424.1764997
54757630	Rotatable_Bond_Count	8
16050553	Mono_Isotopic_Weight	381.24162724
3035467	Structure_Complexity	136
327044	Defined_Bond_Stereo_Count	0
15051325	Covalent_Unit_Count	1
54114222	Hydrogen_Bond_Donor_Count	0
20709675	Molecular_Weight	115.13
44115	Exact_Mass	334.0884336
85872	Undefined_Atom_Stereo_Count	1
439182	Total_Formal_Charge	0
93186	Defined_Bond_Stereo_Count	0
10857507	Hydrogen_Bond_Donor_Count	6
4020	Isotope_Atom_Count	0
11722	Structure_Complexity	42.9
95187	Mono_Isotopic_Weight	149.07014524
5343	Non-hydrogen_Atom_Count	19
19974934	XLogP3-AA	2.5
44521019	Rotatable_Bond_Count	6
7405	TPSA	66.4
22833547	Covalent_Unit_Count	1
18503	Exact_Mass	210.042927438
24181476	Rotatable_Bond_Count	0
18641	Hydrogen_Bond_Acceptor_Count	4
135499520	TPSA	155
151896	Rotatable_Bond_Count	6
25210	Undefined_Bond_Stereo_Count	0
54186	XLogP3-AA	3.5
3022	Non-hydrogen_Atom_Count	19
132130914	Total_Formal_Charge	0
159671	Exact_Mass	236.061382
20060810	TPSA	47.8
25195	Mono_Isotopic_Weight	352.14230712
65737	Structure_Complexity	449
11522448	Isotope_Atom_Count	0
1477065	Undefined_Atom_Stereo_Count	0
12524	Isotope_Atom_Count	0
5355254	TPSA	26.3
398701	Total_Formal_Charge	0
46930997	Defined_Bond_Stereo_Count	2
398640	Molecular_Weight	327.3
12336279	Hydrogen_Bond_Donor_Count	1
413546	Hydrogen_Bond_Donor_Count	0
138059742	Undefined_Bond_Stereo_Count	0
5803	TPSA	66.8
4685	Undefined_Atom_Stereo_Count	0
11701820	Undefined_Bond_Stereo_Count	0
3657	Structure_Complexity	42.9
4655	TPSA	32.3
15969	Isotope_Atom_Count	0
714	Exact_Mass	795.11012487
35785	Hydrogen_Bond_Donor_Count	0
7409	Exact_Mass	122.073164938
5665	Isotope_Atom_Count	0
925642	Mono_Isotopic_Weight	231.11201006
1091	Structure_Complexity	26.3
10173277	Exact_Mass	418.21172409
208922	Hydrogen_Bond_Donor_Count	0
54246209	Undefined_Bond_Stereo_Count	0
10240766	Undefined_Atom_Stereo_Count	0
66663	Hydrogen_Bond_Donor_Count	0
20486	Defined_Bond_Stereo_Count	0
656832	Structure_Complexity	432
4205687	Defined_Atom_Stereo_Count	0
21879777	Covalent_Unit_Count	1
447378	Defined_Bond_Stereo_Count	0
439280	Undefined_Bond_Stereo_Count	0
4736	TPSA	23.5
10232719	Undefined_Bond_Stereo_Count	0
18779169	Molecular_Weight	112.13
439888	Undefined_Bond_Stereo_Count	0
54586720	Hydrogen_Bond_Donor_Count	1
21387	Hydrogen_Bond_Acceptor_Count	1
14282994	Hydrogen_Bond_Donor_Count	1
129867899	Rotatable_Bond_Count	4
16957	Undefined_Bond_Stereo_Count	0
69341269	Exact_Mass	112.063662883
10177255	Molecular_Weight	371.8
381993	TPSA	85.1
44225660	Hydrogen_Bond_Acceptor_Count	6
168707	Undefined_Atom_Stereo_Count	0
15166013	Mono_Isotopic_Weight	112.074896272
57121306	Mono_Isotopic_Weight	100.052429494
4046	Hydrogen_Bond_Acceptor_Count	9
704328	Molecular_Weight	340.5
180504	Rotatable_Bond_Count	0
22065792	Defined_Bond_Stereo_Count	0
4513	Defined_Atom_Stereo_Count	0
5735	Covalent_Unit_Count	1
11208	Covalent_Unit_Count	1
129689816	Defined_Bond_Stereo_Count	0
114359	Hydrogen_Bond_Donor_Count	3
6918203	Rotatable_Bond_Count	3
13624608	Hydrogen_Bond_Donor_Count	1
197060	Defined_Atom_Stereo_Count	4
5319249	Undefined_Bond_Stereo_Count	0
54239389	Molecular_Weight	114.17
19065710	TPSA	57.5
13776191	Defined_Atom_Stereo_Count	0
227541	Tautomer_Count	1
19704286	Rotatable_Bond_Count	0
77942	Undefined_Atom_Stereo_Count	0
4282864	Non-hydrogen_Atom_Count	58
2021	Non-hydrogen_Atom_Count	23
53859	Rotatable_Bond_Count	4
70697627	Defined_Bond_Stereo_Count	0
71611	Undefined_Atom_Stereo_Count	0
3064674	Non-hydrogen_Atom_Count	26
20372060	TPSA	46.2
10558	XLogP3-AA	1.8
227274	Defined_Bond_Stereo_Count	0
62379	Tautomer_Count	1
44590447	Hydrogen_Bond_Acceptor_Count	7
23462	Total_Formal_Charge	0
3035405	Undefined_Atom_Stereo_Count	3
311438	Undefined_Bond_Stereo_Count	0
71517868	Defined_Atom_Stereo_Count	1
8123	Tautomer_Count	1
5362	Hydrogen_Bond_Acceptor_Count	6
53325875	Hydrogen_Bond_Acceptor_Count	6
99816	Defined_Atom_Stereo_Count	0
993	Rotatable_Bond_Count	1
129856110	Defined_Atom_Stereo_Count	0
837924	XLogP3-AA	4.2
71356	Defined_Bond_Stereo_Count	0
534439	Undefined_Bond_Stereo_Count	0
69370	Defined_Bond_Stereo_Count	0
9958278	XLogP3-AA	5.4
71884	Tautomer_Count	48
18831	Mono_Isotopic_Weight	145.0155228
69085357	Rotatable_Bond_Count	4
11571555	Undefined_Bond_Stereo_Count	0
13737991	Exact_Mass	88.052429494
10870	Tautomer_Count	1
135544356	Hydrogen_Bond_Acceptor_Count	16
12750169	Undefined_Atom_Stereo_Count	0
2449	Total_Formal_Charge	0
5491647	Isotope_Atom_Count	0
316797	Covalent_Unit_Count	1
70278898	Exact_Mass	398.21180428
124992	Molecular_Weight	254.18
6652	TPSA	17.1
5287779	Molecular_Weight	202.25
12040510	Defined_Bond_Stereo_Count	0
5311123	TPSA	138
21872002	Rotatable_Bond_Count	3
98703	TPSA	41.1
84787	TPSA	52.6
76337	Non-hydrogen_Atom_Count	9
12081	Isotope_Atom_Count	0
92163	Mono_Isotopic_Weight	256.1342410
6918283	Covalent_Unit_Count	4
45259044	Hydrogen_Bond_Acceptor_Count	4
12393928	XLogP3-AA	1.3
21158560	Undefined_Atom_Stereo_Count	0
656685	TPSA	143
129848667	Total_Formal_Charge	0
443984	Non-hydrogen_Atom_Count	29
15148131	Molecular_Weight	272.73
16685262	Exact_Mass	57.9999281
10245190	XLogP3-AA	4.5
74320	Tautomer_Count	1
439693	Defined_Atom_Stereo_Count	4
14818447	Mono_Isotopic_Weight	121.93478
135402009	Total_Formal_Charge	0
14197	Hydrogen_Bond_Donor_Count	1
99960	Structure_Complexity	272
161122	Defined_Bond_Stereo_Count	0
16667743	Undefined_Atom_Stereo_Count	0
5639	Defined_Atom_Stereo_Count	0
100380	Rotatable_Bond_Count	1
12279	Tautomer_Count	1
65718	Undefined_Bond_Stereo_Count	0
721137	Hydrogen_Bond_Acceptor_Count	4
45120389	Defined_Bond_Stereo_Count	0
10841	Defined_Atom_Stereo_Count	0
10560335	Undefined_Atom_Stereo_Count	0
444899	Exact_Mass	304.240230259
3556	Defined_Atom_Stereo_Count	0
31348	Defined_Bond_Stereo_Count	0
213037	Molecular_Weight	576.5
70681028	TPSA	69.3
101613952	Isotope_Atom_Count	0
141545	XLogP3-AA	1.4
121098	TPSA	55.8
32122	Undefined_Atom_Stereo_Count	1
2762906	Covalent_Unit_Count	1
2724277	Hydrogen_Bond_Donor_Count	0
71310692	Covalent_Unit_Count	1
181511	Isotope_Atom_Count	0
91822	Exact_Mass	235.2066777
9627	Rotatable_Bond_Count	0
5484438	Covalent_Unit_Count	2
14173662	Mono_Isotopic_Weight	111.032028402
25114553	Undefined_Bond_Stereo_Count	0
5288679	Isotope_Atom_Count	0
665387	Rotatable_Bond_Count	1
128605	Isotope_Atom_Count	0
529308	Molecular_Weight	86.13
3356829	Defined_Atom_Stereo_Count	0
11084068	Hydrogen_Bond_Donor_Count	1
4577573	Defined_Atom_Stereo_Count	0
176096	XLogP3	2.7
17995822	Isotope_Atom_Count	0
57784275	Molecular_Weight	96.09
16726873	Covalent_Unit_Count	2
9870009	Mono_Isotopic_Weight	485.1928781
66007	Rotatable_Bond_Count	5
135418296	Rotatable_Bond_Count	0
25151352	Defined_Bond_Stereo_Count	0
3525005	Undefined_Atom_Stereo_Count	1
101544	Non-hydrogen_Atom_Count	21
1942902	TPSA	69.1
3032396	Hydrogen_Bond_Donor_Count	4
3497	Non-hydrogen_Atom_Count	34
6920143	Defined_Atom_Stereo_Count	1
984396	Defined_Bond_Stereo_Count	0
47491	Total_Formal_Charge	0
13684986	Total_Formal_Charge	0
99342	Exact_Mass	358.240898965
10374415	Hydrogen_Bond_Donor_Count	1
317459	Mono_Isotopic_Weight	114.104465066
62842	Non-hydrogen_Atom_Count	11
4874	Total_Formal_Charge	0
57395267	XLogP3-AA	4.3
12572502	Undefined_Bond_Stereo_Count	0
5360487	Isotope_Atom_Count	0
71652	Non-hydrogen_Atom_Count	23
12213589	Defined_Atom_Stereo_Count	0
5318998	Covalent_Unit_Count	1
9866250	Isotope_Atom_Count	0
4927	Defined_Bond_Stereo_Count	0
154361546	Covalent_Unit_Count	1
31389	Rotatable_Bond_Count	0
138539	Structure_Complexity	46.1
2725002	TPSA	39.4
20838085	Exact_Mass	541.22465702
129631814	Covalent_Unit_Count	1
9548634	Molecular_Weight	437.5
54682463	Covalent_Unit_Count	1
80542	Undefined_Bond_Stereo_Count	0
3095	Exact_Mass	377.19909372
81561	Hydrogen_Bond_Donor_Count	0
851833	Exact_Mass	230.0377538
49792792	Molecular_Weight	358.5
66986	Undefined_Atom_Stereo_Count	0
1550888	Rotatable_Bond_Count	6
25058173	Isotope_Atom_Count	0
287071	Mono_Isotopic_Weight	111.068413911
129307545	Mono_Isotopic_Weight	423.37298248
11569158	Hydrogen_Bond_Donor_Count	1
6471	Exact_Mass	261.172878976
11593706	Rotatable_Bond_Count	2
4964	Rotatable_Bond_Count	2
94301	Total_Formal_Charge	0
163921573	Rotatable_Bond_Count	3
4458	Molecular_Weight	154.25
76957620	Exact_Mass	383.1627620
152743492	Structure_Complexity	588
90953405	TPSA	54
5461012	XLogP3-AA	6.8
115367	Hydrogen_Bond_Donor_Count	1
70683090	Hydrogen_Bond_Donor_Count	0
1633595	Rotatable_Bond_Count	0
9940864	Structure_Complexity	1460
6436223	Defined_Bond_Stereo_Count	4
20205	Covalent_Unit_Count	1
319771	Undefined_Bond_Stereo_Count	0
41541	Total_Formal_Charge	0
54891	Non-hydrogen_Atom_Count	33
15639205	Hydrogen_Bond_Acceptor_Count	2
58992	Defined_Atom_Stereo_Count	1
70691434	TPSA	52.6
88142236	Rotatable_Bond_Count	4
25190761	Structure_Complexity	417
70693548	Non-hydrogen_Atom_Count	170
49855364	Mono_Isotopic_Weight	567.23041111
24477	Rotatable_Bond_Count	0
2723866	Hydrogen_Bond_Donor_Count	6
123519634	Structure_Complexity	128
3047822	Mono_Isotopic_Weight	204.11100700
25204	Defined_Atom_Stereo_Count	0
8593	Defined_Atom_Stereo_Count	0
969014	Undefined_Atom_Stereo_Count	0
2912	Structure_Complexity	643
92877	Exact_Mass	276.245315640
123264207	Undefined_Atom_Stereo_Count	0
82418996	TPSA	75.8
10138259	Total_Formal_Charge	0
137430	Defined_Bond_Stereo_Count	0
53851	Exact_Mass	317.235479232
221387	Total_Formal_Charge	0
11697676	Hydrogen_Bond_Donor_Count	1
44560619	Covalent_Unit_Count	1
2394	Molecular_Weight	1157.2
62829	Molecular_Weight	302.4
57390700	Hydrogen_Bond_Acceptor_Count	9
163591174	Undefined_Bond_Stereo_Count	0
14341511	Non-hydrogen_Atom_Count	8
26197	Undefined_Bond_Stereo_Count	0
6450478	Exact_Mass	340.08163887
154561905	Hydrogen_Bond_Acceptor_Count	1
155970341	Structure_Complexity	1680
44565777	Exact_Mass	262.15420922
2734898	Covalent_Unit_Count	3
57396593	Undefined_Atom_Stereo_Count	0
3544692	Rotatable_Bond_Count	1
9179	Exact_Mass	229.089149355
18641	XLogP3-AA	7.2
135019428	Total_Formal_Charge	0
593919	Mono_Isotopic_Weight	200.94254
101115582	Structure_Complexity	94.6
148089453	Covalent_Unit_Count	1
920	TPSA	130
4168142	Defined_Bond_Stereo_Count	0
53317194	Defined_Atom_Stereo_Count	0
852	Defined_Bond_Stereo_Count	0
2010	Isotope_Atom_Count	0
156614059	Structure_Complexity	112
92950	Exact_Mass	158.178298710
12136798	Covalent_Unit_Count	1
1379	TPSA	55.8
11147	Hydrogen_Bond_Donor_Count	0
5391	Defined_Atom_Stereo_Count	0
91753565	Covalent_Unit_Count	1
3068143	Defined_Atom_Stereo_Count	4
16129759	Covalent_Unit_Count	1
19017814	Rotatable_Bond_Count	2
219399	Molecular_Weight	100.12
9508	XLogP3-AA	0
9421	Defined_Bond_Stereo_Count	0
48	Covalent_Unit_Count	1
12695899	Rotatable_Bond_Count	0
13334302	Covalent_Unit_Count	1
33353	TPSA	83.1
5282165	Tautomer_Count	4
166652	Non-hydrogen_Atom_Count	7
2723694	XLogP3-AA	4.2
10197660	Structure_Complexity	139
153994	Non-hydrogen_Atom_Count	30
132471895	Molecular_Weight	210.21
72665	Covalent_Unit_Count	1
11862	Total_Formal_Charge	0
5056739	TPSA	29.5
91488	Molecular_Weight	412.4
138813	Molecular_Weight	96.13
439202	Hydrogen_Bond_Donor_Count	4
10129928	Covalent_Unit_Count	1
60150185	Undefined_Bond_Stereo_Count	0
327044	Total_Formal_Charge	0
81056	Exact_Mass	152.0141259
20680	Hydrogen_Bond_Donor_Count	0
139024314	Covalent_Unit_Count	1
13707473	Covalent_Unit_Count	1
135438121	TPSA	50.7
11048104	Defined_Atom_Stereo_Count	0
14988402	Undefined_Atom_Stereo_Count	0
64972	Defined_Bond_Stereo_Count	0
11383075	Undefined_Atom_Stereo_Count	0
6710631	Rotatable_Bond_Count	1
59904965	Structure_Complexity	0
40704	Non-hydrogen_Atom_Count	32
11281445	Mono_Isotopic_Weight	415.17433553
92163	Total_Formal_Charge	0
18460542	Structure_Complexity	74.6
719044	Total_Formal_Charge	0
79224	Defined_Bond_Stereo_Count	0
69244	Mono_Isotopic_Weight	97.089149355
59174488	Hydrogen_Bond_Donor_Count	3
54697325	Total_Formal_Charge	0
5326751	Undefined_Atom_Stereo_Count	0
486543	Structure_Complexity	880
80220	Hydrogen_Bond_Donor_Count	2
154489025	Undefined_Bond_Stereo_Count	1
24840146	Total_Formal_Charge	0
14505	Non-hydrogen_Atom_Count	8
152306	Isotope_Atom_Count	0
50997747	Molecular_Weight	380.4
14344952	Undefined_Bond_Stereo_Count	0
58657603	XLogP3-AA	3.9
5308	XLogP3-AA	3.1
136965670	Structure_Complexity	1130
963	TPSA	347
34051	Rotatable_Bond_Count	3
5130673	Defined_Bond_Stereo_Count	0
10067787	Molecular_Weight	370.9
135566455	Hydrogen_Bond_Donor_Count	5
134819268	Hydrogen_Bond_Donor_Count	7
30143	Defined_Bond_Stereo_Count	0
54510058	Total_Formal_Charge	0
91667752	Hydrogen_Bond_Donor_Count	3
88301824	Rotatable_Bond_Count	1
42240	Exact_Mass	182.05790880
5460221	XLogP3-AA	7.9
71716733	TPSA	33.2
56665393	Undefined_Bond_Stereo_Count	0
23914	Isotope_Atom_Count	0
126830	Hydrogen_Bond_Donor_Count	1
6183479	XLogP3	0.3
10986185	Exact_Mass	113.084063974
78596	Isotope_Atom_Count	0
101321425	TPSA	87
72429	TPSA	169
12296	XLogP3-AA	1.6
19067979	Defined_Bond_Stereo_Count	0
2495	Hydrogen_Bond_Acceptor_Count	7
75055	Defined_Atom_Stereo_Count	0
145815	Defined_Bond_Stereo_Count	0
10871	Hydrogen_Bond_Donor_Count	1
107169	Isotope_Atom_Count	0
25005580	Rotatable_Bond_Count	7
5724	Exact_Mass	439.95748
22081028	Isotope_Atom_Count	0
91543	Covalent_Unit_Count	1
83679654	Hydrogen_Bond_Donor_Count	1
403661	Defined_Atom_Stereo_Count	0
11867	Mono_Isotopic_Weight	173.99867984
63979	Undefined_Bond_Stereo_Count	0
15133384	Non-hydrogen_Atom_Count	31
24530	Non-hydrogen_Atom_Count	3
156156900	Undefined_Bond_Stereo_Count	0
23056	Mono_Isotopic_Weight	337.16779360
9936746	Molecular_Weight	492.0
5413034	Total_Formal_Charge	0
10945	Defined_Atom_Stereo_Count	0
15706803	Defined_Bond_Stereo_Count	0
68079	Rotatable_Bond_Count	2
5394	Tautomer_Count	2
10133071	Hydrogen_Bond_Acceptor_Count	6
656575	Isotope_Atom_Count	0
3034645	Non-hydrogen_Atom_Count	8
131287	Undefined_Atom_Stereo_Count	0
2723856	Molecular_Weight	89.14
83669186	Defined_Bond_Stereo_Count	0
96132	TPSA	67.5
34041	Isotope_Atom_Count	0
21584701	Tautomer_Count	1
70789955	Molecular_Weight	406.9
12021642	Hydrogen_Bond_Donor_Count	1
97758	Non-hydrogen_Atom_Count	6
7928	Undefined_Bond_Stereo_Count	0
5284476	Structure_Complexity	243
167842	Defined_Bond_Stereo_Count	0
3700118	Isotope_Atom_Count	0
18335911	XLogP3-AA	0.5
6062	Undefined_Bond_Stereo_Count	0
5929	Rotatable_Bond_Count	3
10126299	Isotope_Atom_Count	0
54686186	Isotope_Atom_Count	0
11474	Rotatable_Bond_Count	1
17925	TPSA	41.5
5403	Defined_Bond_Stereo_Count	0
1639804	TPSA	46.5
13624278	Defined_Atom_Stereo_Count	0
9863672	Exact_Mass	323.11037616
5462951	Exact_Mass	118.078250319
447	Undefined_Atom_Stereo_Count	0
12210512	Total_Formal_Charge	0
32607	Hydrogen_Bond_Donor_Count	1
20974	Defined_Bond_Stereo_Count	0
3000450	Hydrogen_Bond_Acceptor_Count	6
19836588	TPSA	9.2
126843096	Total_Formal_Charge	0
4623	Total_Formal_Charge	0
2756	Undefined_Atom_Stereo_Count	0
184495	Molecular_Weight	295.3
129785733	Molecular_Weight	98.10
5281052	Defined_Bond_Stereo_Count	1
70837736	Isotope_Atom_Count	0
12251749	Structure_Complexity	92.5
637568	Rotatable_Bond_Count	4
21328181	Undefined_Atom_Stereo_Count	2
65394	Undefined_Bond_Stereo_Count	0
284998	Rotatable_Bond_Count	5
42884	Structure_Complexity	433
41867	Hydrogen_Bond_Acceptor_Count	12
71622657	Structure_Complexity	345
90488914	Undefined_Atom_Stereo_Count	2
641240	Total_Formal_Charge	0
5284472	Covalent_Unit_Count	3
3015783	Molecular_Weight	558.83
68016	Non-hydrogen_Atom_Count	10
61361	Total_Formal_Charge	0
8266	Undefined_Atom_Stereo_Count	4
54890	Undefined_Bond_Stereo_Count	0
67249135	Structure_Complexity	712
11326613	Isotope_Atom_Count	0
22571	Isotope_Atom_Count	0
129009909	Mono_Isotopic_Weight	665.30474055
6918178	Undefined_Atom_Stereo_Count	0
11198850	Structure_Complexity	523
249187	Hydrogen_Bond_Acceptor_Count	10
542317	Undefined_Atom_Stereo_Count	0
30858	TPSA	46.5
71459116	Total_Formal_Charge	0
15564	Molecular_Weight	242.3
84605	Structure_Complexity	129
38019	Total_Formal_Charge	0
693315	Defined_Atom_Stereo_Count	0
13601826	Structure_Complexity	50.1
62108	Molecular_Weight	458.7
736188	Isotope_Atom_Count	0
126969212	Covalent_Unit_Count	1
10271	Isotope_Atom_Count	0
72068	Tautomer_Count	1
16533	Molecular_Weight	476.6
57392505	Molecular_Weight	463.5
11576068	Defined_Bond_Stereo_Count	0
47167	Covalent_Unit_Count	1
21666609	TPSA	20.3
60052896	Exact_Mass	180.06338810
48754	Exact_Mass	226.13174244
5003	Defined_Atom_Stereo_Count	0
83528703	Exact_Mass	110.084398327
243521	Rotatable_Bond_Count	2
23896	Defined_Bond_Stereo_Count	0
10427712	Exact_Mass	346.11782371
456389	Covalent_Unit_Count	1
129812304	Exact_Mass	125.95870674
135408714	Covalent_Unit_Count	1
77690	Isotope_Atom_Count	0
124918602	Hydrogen_Bond_Acceptor_Count	6
67266053	Molecular_Weight	99.17
7250	Molecular_Weight	121.18
44259	Hydrogen_Bond_Donor_Count	2
57399614	Molecular_Weight	543.6
995	Defined_Atom_Stereo_Count	0
19997	Isotope_Atom_Count	0
3734343	TPSA	90.7
11137085	Undefined_Bond_Stereo_Count	0
5360373	Non-hydrogen_Atom_Count	96
535634	Defined_Bond_Stereo_Count	0
11967214	Structure_Complexity	326
9835303	Undefined_Atom_Stereo_Count	0
4911	Rotatable_Bond_Count	7
91353581	Molecular_Weight	113.11
54475034	XLogP3-AA	0.1
109014	Mono_Isotopic_Weight	170.084398327
3283968	Exact_Mass	118.062994177
6419	Tautomer_Count	1
59750537	Defined_Atom_Stereo_Count	0
71222	Hydrogen_Bond_Acceptor_Count	6
61503	Covalent_Unit_Count	1
68939	Undefined_Bond_Stereo_Count	0
85943658	Total_Formal_Charge	0
528166	Exact_Mass	94.078250319
9432	Isotope_Atom_Count	0
11256720	Covalent_Unit_Count	1
90488866	Covalent_Unit_Count	4
8286	TPSA	0
4723	Covalent_Unit_Count	1
70801	Molecular_Weight	173.21
884462	Covalent_Unit_Count	1
11094960	Structure_Complexity	121
71469	Hydrogen_Bond_Donor_Count	14
5325263	Hydrogen_Bond_Acceptor_Count	2
135492	Total_Formal_Charge	0
4478	Hydrogen_Bond_Donor_Count	7
46587	Hydrogen_Bond_Acceptor_Count	3
19962876	Mono_Isotopic_Weight	83.037113783
2832	Non-hydrogen_Atom_Count	27
21336123	Isotope_Atom_Count	0
149229	Defined_Bond_Stereo_Count	0
10634	Total_Formal_Charge	0
129791	Isotope_Atom_Count	0
59169	Defined_Bond_Stereo_Count	0
52943962	Exact_Mass	274.168127949
1834	Defined_Atom_Stereo_Count	0
447249	Non-hydrogen_Atom_Count	21
24785538	Total_Formal_Charge	0
1235	Defined_Bond_Stereo_Count	0
36688115	Isotope_Atom_Count	0
5362775	Exact_Mass	98.073164938
52039	Rotatable_Bond_Count	2
440723	Defined_Bond_Stereo_Count	0
105146	Rotatable_Bond_Count	0
124969	Rotatable_Bond_Count	4
55480	Molecular_Weight	282.81
79446	Non-hydrogen_Atom_Count	7
73285	Defined_Atom_Stereo_Count	4
76398	Covalent_Unit_Count	1
83891	Undefined_Bond_Stereo_Count	0
85812	Hydrogen_Bond_Donor_Count	0
139444	Total_Formal_Charge	0
41114	Isotope_Atom_Count	0
16756754	Mono_Isotopic_Weight	478.24318459
123316507	Molecular_Weight	1202.6
140535901	Exact_Mass	95.048347172
18212	Exact_Mass	197.12766012
25171607	TPSA	86
67822523	Covalent_Unit_Count	1
65953	Undefined_Bond_Stereo_Count	0
68157	Hydrogen_Bond_Donor_Count	0
13350797	XLogP3-AA	0.1
6604914	Undefined_Bond_Stereo_Count	0
11333	Mono_Isotopic_Weight	342.11621151
86620451	Isotope_Atom_Count	0
3032910	Structure_Complexity	469
87527569	Hydrogen_Bond_Donor_Count	3
40589	Tautomer_Count	1
96476	Hydrogen_Bond_Acceptor_Count	1
44320150	Isotope_Atom_Count	0
10633	Hydrogen_Bond_Acceptor_Count	2
46244259	Structure_Complexity	717
131704328	Defined_Atom_Stereo_Count	0
141343693	Molecular_Weight	113.16
9794056	Mono_Isotopic_Weight	181.06674293
3792939	Structure_Complexity	0
10077147	Defined_Bond_Stereo_Count	0
26445	Non-hydrogen_Atom_Count	8
6683	TPSA	94.8
69251960	Hydrogen_Bond_Donor_Count	1
11297955	Undefined_Atom_Stereo_Count	1
6919173	Structure_Complexity	240
92626	Hydrogen_Bond_Donor_Count	1
153754883	Isotope_Atom_Count	0
134150175	Structure_Complexity	939
44144829	Total_Formal_Charge	0
5362487	Rotatable_Bond_Count	0
6437065	Molecular_Weight	441.5
116864150	Structure_Complexity	107
15982151	Structure_Complexity	718
82513	Hydrogen_Bond_Donor_Count	1
87826555	Defined_Atom_Stereo_Count	0
5283344	Defined_Bond_Stereo_Count	1
6420038	Undefined_Atom_Stereo_Count	0
23691974	Non-hydrogen_Atom_Count	13
129010061	Exact_Mass	560.27338086
71474517	Molecular_Weight	1001.3
2752648	Mono_Isotopic_Weight	110.073164938
385	Isotope_Atom_Count	0
170813	XLogP3	4.1
9623	Isotope_Atom_Count	0
5216	Undefined_Atom_Stereo_Count	0
51029964	Defined_Atom_Stereo_Count	1
595926	Covalent_Unit_Count	1
446284	Rotatable_Bond_Count	13
18899	Mono_Isotopic_Weight	205.110278721
9812790	Covalent_Unit_Count	1
14683451	Hydrogen_Bond_Acceptor_Count	2
44560808	TPSA	148
548	Molecular_Weight	200.14
62558	Isotope_Atom_Count	0
101944071	Hydrogen_Bond_Acceptor_Count	4
20725980	Undefined_Bond_Stereo_Count	0
96033	Defined_Atom_Stereo_Count	0
15096	Undefined_Bond_Stereo_Count	0
705472	Non-hydrogen_Atom_Count	24
132367	Hydrogen_Bond_Acceptor_Count	4
5311	Exact_Mass	264.14739250
11553983	Mono_Isotopic_Weight	440.22122615
157706	Hydrogen_Bond_Donor_Count	1
20118	Tautomer_Count	2
88045	Undefined_Bond_Stereo_Count	0
46225190	Isotope_Atom_Count	0
16722836	Mono_Isotopic_Weight	524.25696021
10645	Defined_Atom_Stereo_Count	0
83146	Exact_Mass	158.118103753
28207	Defined_Bond_Stereo_Count	0
41097873	Structure_Complexity	494
78949	Hydrogen_Bond_Donor_Count	1
246983	TPSA	20.2
75675	Undefined_Bond_Stereo_Count	0
20390093	Hydrogen_Bond_Donor_Count	0
139062654	Rotatable_Bond_Count	4
76428	TPSA	45.8
57401684	Defined_Atom_Stereo_Count	0
6051	TPSA	50.7
155142	Hydrogen_Bond_Donor_Count	0
97617	Undefined_Atom_Stereo_Count	0
102004585	Defined_Atom_Stereo_Count	3
25227436	Molecular_Weight	428.9
101171	Exact_Mass	114.068079557
8125	Mono_Isotopic_Weight	112.125200510
54676840	Hydrogen_Bond_Acceptor_Count	4
35754	Molecular_Weight	281.31
5282455	Total_Formal_Charge	0
6917864	Undefined_Atom_Stereo_Count	0
135564980	XLogP3-AA	3.6
10301884	XLogP3-AA	5.1
58082088	Mono_Isotopic_Weight	116.083729621
9807600	Structure_Complexity	694
232326	Defined_Bond_Stereo_Count	0
3416433	Structure_Complexity	127
9862634	Rotatable_Bond_Count	0
6400	Undefined_Atom_Stereo_Count	0
5815211	Tautomer_Count	1
15723	Defined_Atom_Stereo_Count	0
3017661	Defined_Atom_Stereo_Count	0
65576	Covalent_Unit_Count	1
3786	Molecular_Weight	233.29
193846	Hydrogen_Bond_Donor_Count	6
587128	Exact_Mass	168.0341926
59630744	XLogP3-AA	3.2
6710664	Structure_Complexity	540
75905	Hydrogen_Bond_Donor_Count	1
74030550	Molecular_Weight	2002.2
912	Non-hydrogen_Atom_Count	9
5077	Defined_Bond_Stereo_Count	0
40466988	XLogP3-AA	1.8
27661	Exact_Mass	191.04298701
59173	Non-hydrogen_Atom_Count	18
20980871	Defined_Bond_Stereo_Count	0
56679112	Covalent_Unit_Count	1
160743752	Hydrogen_Bond_Donor_Count	0
9500	Isotope_Atom_Count	0
86592	Non-hydrogen_Atom_Count	10
130554629	Defined_Bond_Stereo_Count	0
122308	Defined_Atom_Stereo_Count	0
91696	Defined_Bond_Stereo_Count	0
16318	Mono_Isotopic_Weight	493.688527
11584	Defined_Atom_Stereo_Count	0
2733660	Exact_Mass	267.87215
54080009	Covalent_Unit_Count	1
10575614	Hydrogen_Bond_Donor_Count	1
129700770	Exact_Mass	324.183778013
443878	Molecular_Weight	475.6
22556	XLogP3	4.6
365	Undefined_Bond_Stereo_Count	2
71188	Isotope_Atom_Count	0
87646	TPSA	20.2
9989239	TPSA	58.2
44310710	Hydrogen_Bond_Donor_Count	0
139073990	Total_Formal_Charge	0
16050931	Non-hydrogen_Atom_Count	20
141315	Non-hydrogen_Atom_Count	8
90057933	Total_Formal_Charge	0
153830378	Mono_Isotopic_Weight	116.083729621
91586	Molecular_Weight	97.12
17457	Structure_Complexity	374
3037886	XLogP3	1.8
6440556	Exact_Mass	449.1005556
6996	Hydrogen_Bond_Donor_Count	0
60196286	Isotope_Atom_Count	0
22759544	XLogP3-AA	0.1
73672	Rotatable_Bond_Count	7
44235958	Molecular_Weight	793.4
4944	TPSA	47.6
8351	Molecular_Weight	173.25
560878	TPSA	40.5
448222	Undefined_Bond_Stereo_Count	0
320272	XLogP3-AA	1.6
70400351	Non-hydrogen_Atom_Count	7
656495	Structure_Complexity	638
25209	Covalent_Unit_Count	1
23668195	Non-hydrogen_Atom_Count	5
75605138	Rotatable_Bond_Count	6
92283	Non-hydrogen_Atom_Count	12
9912474	XLogP3-AA	5.4
56631355	Structure_Complexity	120
18352756	Covalent_Unit_Count	1
66064	Total_Formal_Charge	0
3459	Defined_Bond_Stereo_Count	0
88287569	Mono_Isotopic_Weight	112.088815002
12363650	TPSA	55.4
51055169	Non-hydrogen_Atom_Count	36
13522	Defined_Bond_Stereo_Count	0
141704	Isotope_Atom_Count	0
20015	Covalent_Unit_Count	1
9929430	Defined_Bond_Stereo_Count	0
184830	Molecular_Weight	114.14
610682	Hydrogen_Bond_Donor_Count	1
6394935	Defined_Atom_Stereo_Count	0
2526	Undefined_Bond_Stereo_Count	0
2733525	Exact_Mass	563.25191714
12209630	Isotope_Atom_Count	0
44338763	Defined_Bond_Stereo_Count	0
11604	Mono_Isotopic_Weight	81.057849228
23355	Tautomer_Count	10
95069	Defined_Atom_Stereo_Count	0
551434	Hydrogen_Bond_Donor_Count	1
4098	XLogP3-AA	2.6
123223	Hydrogen_Bond_Donor_Count	0
2734117	Molecular_Weight	546.8
1976	Structure_Complexity	968
26442	Molecular_Weight	339.72
3598879	Exact_Mass	165.06122053
24978601	Total_Formal_Charge	0
1415	Mono_Isotopic_Weight	336.23005950
6917762	Covalent_Unit_Count	1
78323	Exact_Mass	241.94577
23649427	XLogP3-AA	2.2
38666	Rotatable_Bond_Count	2
9010	Non-hydrogen_Atom_Count	19
3676	Rotatable_Bond_Count	5
58064	Defined_Atom_Stereo_Count	0
25375	XLogP3-AA	1.5
15820984	Covalent_Unit_Count	3
13006129	Defined_Bond_Stereo_Count	0
20632752	TPSA	24.1
60134	Structure_Complexity	533
11170934	Molecular_Weight	108.14
838868	Mono_Isotopic_Weight	187.063328530
83827	Defined_Atom_Stereo_Count	4
36647	Structure_Complexity	234
68215184	Covalent_Unit_Count	1
70688017	Defined_Bond_Stereo_Count	0
1548994	Hydrogen_Bond_Acceptor_Count	10
9548810	Structure_Complexity	140
4142809	Hydrogen_Bond_Donor_Count	2
22353151	Rotatable_Bond_Count	6
21547072	Non-hydrogen_Atom_Count	7
436497	Hydrogen_Bond_Acceptor_Count	3
7941	XLogP3	3.7
6844	Mono_Isotopic_Weight	188.047344113
524270	Hydrogen_Bond_Acceptor_Count	2
41505	Structure_Complexity	314
59729233	Covalent_Unit_Count	1
23581796	Total_Formal_Charge	0
15208461	XLogP3-AA	0.1
3968	Hydrogen_Bond_Acceptor_Count	2
9821945	Defined_Atom_Stereo_Count	0
57721	Molecular_Weight	485.5
17673	Hydrogen_Bond_Donor_Count	0
38072	Structure_Complexity	356
436	Undefined_Atom_Stereo_Count	0
132281917	Total_Formal_Charge	0
22174896	Rotatable_Bond_Count	0
3465817	Rotatable_Bond_Count	3
1069125	Undefined_Bond_Stereo_Count	0
137375527	TPSA	59.8
5334	Rotatable_Bond_Count	4
54033586	Defined_Atom_Stereo_Count	0
76609483	TPSA	41.8
88707373	Exact_Mass	105.078978594
36255	Undefined_Atom_Stereo_Count	0
166775	Rotatable_Bond_Count	13
9900	Defined_Bond_Stereo_Count	0
20555317	TPSA	49.5
99646539	Isotope_Atom_Count	0
70682078	Rotatable_Bond_Count	4
82185	Molecular_Weight	115.13
133562785	Rotatable_Bond_Count	19
457825	Structure_Complexity	979
17801140	Undefined_Bond_Stereo_Count	0
154474487	Undefined_Bond_Stereo_Count	0
54490	XLogP3	2.5
9958041	Tautomer_Count	2
7700	Structure_Complexity	186
44345281	TPSA	91.4
5358902	Hydrogen_Bond_Acceptor_Count	4
1194	Total_Formal_Charge	0
44342925	Total_Formal_Charge	0
52355	Molecular_Weight	292.29
9805	Covalent_Unit_Count	1
22038	Undefined_Atom_Stereo_Count	2
5205	Structure_Complexity	397
108381	Hydrogen_Bond_Donor_Count	2
91754	Rotatable_Bond_Count	5
16217535	Hydrogen_Bond_Acceptor_Count	11
16659681	Total_Formal_Charge	0
62158	Molecular_Weight	242.23
519514	TPSA	12.5
23540	Rotatable_Bond_Count	2
67923265	Isotope_Atom_Count	0
142106	TPSA	37.3
73707513	Mono_Isotopic_Weight	768.48932838
1894	Undefined_Bond_Stereo_Count	0
10525838	Structure_Complexity	617
16219	Molecular_Weight	283.5
10202381	Covalent_Unit_Count	1
22395644	Defined_Atom_Stereo_Count	0
7588	Non-hydrogen_Atom_Count	22
13039	Tautomer_Count	3
35766	TPSA	272
4494	Total_Formal_Charge	0
24972597	Mono_Isotopic_Weight	113.084063974
10877083	Molecular_Weight	113.16
4111803	Isotope_Atom_Count	0
26934	Covalent_Unit_Count	1
53800769	Defined_Atom_Stereo_Count	0
101630689	Defined_Atom_Stereo_Count	13
297618	Undefined_Atom_Stereo_Count	2
23665772	Undefined_Atom_Stereo_Count	2
11589318	Defined_Atom_Stereo_Count	0
67718	Total_Formal_Charge	0
65174649	Molecular_Weight	112.17
1329	Exact_Mass	304.18992602
20003	Defined_Atom_Stereo_Count	0
47294	Rotatable_Bond_Count	3
126968495	Undefined_Atom_Stereo_Count	0
99416	Non-hydrogen_Atom_Count	19
98559	Non-hydrogen_Atom_Count	21
10251	Undefined_Bond_Stereo_Count	0
67058	TPSA	55
76217	Mono_Isotopic_Weight	82.041864811
57800	Rotatable_Bond_Count	5
73830	Total_Formal_Charge	0
6993205	Exact_Mass	304.04603776
88974141	Total_Formal_Charge	0
10173277	Total_Formal_Charge	0
157903531	Defined_Atom_Stereo_Count	0
62313624	Mono_Isotopic_Weight	97.089149355
122623	Non-hydrogen_Atom_Count	24
72327	Mono_Isotopic_Weight	260.08084968
19935381	Undefined_Bond_Stereo_Count	0
213013	Total_Formal_Charge	0
151062	Isotope_Atom_Count	0
17242	Rotatable_Bond_Count	9
60478	Exact_Mass	312.0665554
11108673	Rotatable_Bond_Count	0
4369536	XLogP3-AA	3.4
85065	Hydrogen_Bond_Acceptor_Count	5
11724027	Hydrogen_Bond_Acceptor_Count	4
7375	Isotope_Atom_Count	0
688378	XLogP3-AA	0.3
46877881	Mono_Isotopic_Weight	813.42859314
99858	Tautomer_Count	24
5311047	Defined_Atom_Stereo_Count	2
4349	Molecular_Weight	467.6
13814	Non-hydrogen_Atom_Count	39
182585	Non-hydrogen_Atom_Count	28
94153	Defined_Bond_Stereo_Count	0
442866	Hydrogen_Bond_Donor_Count	5
123264207	Undefined_Bond_Stereo_Count	0
72277	Isotope_Atom_Count	0
2315	Undefined_Atom_Stereo_Count	1
71461541	Structure_Complexity	728
21545139	Rotatable_Bond_Count	0
20442	Covalent_Unit_Count	1
49869035	Defined_Bond_Stereo_Count	0
94330	Tautomer_Count	10
70610	XLogP3	0.5
147630	TPSA	24.1
56945145	Undefined_Atom_Stereo_Count	1
5246420	Molecular_Weight	280.50
137997	XLogP3-AA	3.9
53373584	Mono_Isotopic_Weight	837.49281610
16109396	Non-hydrogen_Atom_Count	26
219104	Structure_Complexity	111
46916401	Defined_Bond_Stereo_Count	0
18314545	Defined_Atom_Stereo_Count	0
6537431	Total_Formal_Charge	0
39094	Mono_Isotopic_Weight	303.125928785
9955534	Undefined_Bond_Stereo_Count	0
2220	Defined_Bond_Stereo_Count	0
7173	Isotope_Atom_Count	0
5360	Undefined_Bond_Stereo_Count	0
3327	Undefined_Atom_Stereo_Count	0
62553	Exact_Mass	178.099379685
136257950	TPSA	209
10028615	Exact_Mass	492.24243570
11364421	Undefined_Bond_Stereo_Count	0
4343	Total_Formal_Charge	0
12529300	Molecular_Weight	97.12
11652923	Molecular_Weight	335.4
21653	Tautomer_Count	10
12084878	Exact_Mass	102.068079557
742	Total_Formal_Charge	0
1358	Total_Formal_Charge	0
21958071	Total_Formal_Charge	0
24751	Non-hydrogen_Atom_Count	7
160883	Undefined_Atom_Stereo_Count	0
66603768	Defined_Atom_Stereo_Count	2
908	Covalent_Unit_Count	1
114801	TPSA	37.3
7000	Undefined_Bond_Stereo_Count	0
551	Isotope_Atom_Count	0
10931378	Undefined_Bond_Stereo_Count	0
13641	Defined_Bond_Stereo_Count	0
57396607	Defined_Bond_Stereo_Count	0
25008765	XLogP3-AA	0.2
8661	Hydrogen_Bond_Donor_Count	2
71439018	Isotope_Atom_Count	0
132940892	Rotatable_Bond_Count	10
291446	Isotope_Atom_Count	0
637497	Defined_Atom_Stereo_Count	1
2777229	Molecular_Weight	115.13
11473	Undefined_Atom_Stereo_Count	0
170295	Structure_Complexity	342
38088	Hydrogen_Bond_Donor_Count	1
548185	Non-hydrogen_Atom_Count	8
780	Undefined_Atom_Stereo_Count	0
25142042	Mono_Isotopic_Weight	408.19615422
20633892	Non-hydrogen_Atom_Count	8
3086618	Undefined_Atom_Stereo_Count	0
76971015	Non-hydrogen_Atom_Count	36
10230	Rotatable_Bond_Count	2
13558	Molecular_Weight	128.25
88638	Hydrogen_Bond_Donor_Count	2
3055171	Total_Formal_Charge	0
11412356	Hydrogen_Bond_Acceptor_Count	2
6913	Hydrogen_Bond_Acceptor_Count	1
12201380	TPSA	30.7
140363414	Exact_Mass	102.079312947
71719928	Defined_Atom_Stereo_Count	4
11105314	XLogP3-AA	0.3
4164	Undefined_Bond_Stereo_Count	0
60144418	Structure_Complexity	378
3166	Defined_Atom_Stereo_Count	0
83596	Covalent_Unit_Count	1
7423	XLogP3	1.4
12338093	Exact_Mass	214.04371528
2729103	Defined_Atom_Stereo_Count	0
37243	Isotope_Atom_Count	0
70864	Rotatable_Bond_Count	7
71317097	TPSA	110
70689318	Defined_Bond_Stereo_Count	0
19063438	Rotatable_Bond_Count	0
6420071	Covalent_Unit_Count	2
40473404	Undefined_Atom_Stereo_Count	0
62105	Covalent_Unit_Count	1
6999106	Defined_Atom_Stereo_Count	0
4111803	Structure_Complexity	48.1
3034645	Rotatable_Bond_Count	1
6518	Rotatable_Bond_Count	8
5452	Undefined_Bond_Stereo_Count	0
14017	Tautomer_Count	1
44134877	Molecular_Weight	958.9
54454	Hydrogen_Bond_Acceptor_Count	5
35802	Undefined_Bond_Stereo_Count	0
117717939	Defined_Atom_Stereo_Count	1
6539020	Hydrogen_Bond_Donor_Count	1
133268468	Undefined_Atom_Stereo_Count	0
123982	Hydrogen_Bond_Acceptor_Count	5
821327	Undefined_Atom_Stereo_Count	0
12869962	Total_Formal_Charge	0
704528	Defined_Atom_Stereo_Count	1
5284537	Hydrogen_Bond_Acceptor_Count	3
247818	Defined_Atom_Stereo_Count	0
5274271	Undefined_Bond_Stereo_Count	0
10001337	Undefined_Atom_Stereo_Count	0
124525065	Rotatable_Bond_Count	0
123143	Isotope_Atom_Count	0
94462	Undefined_Atom_Stereo_Count	0
13521790	Mono_Isotopic_Weight	116.083729621
146468	Defined_Bond_Stereo_Count	0
156212	Exact_Mass	310.930761
12962854	Defined_Bond_Stereo_Count	0
8056	Rotatable_Bond_Count	3
25246316	XLogP3-AA	7.5
6919	Undefined_Atom_Stereo_Count	0
118010510	Defined_Atom_Stereo_Count	0
4224596	Undefined_Atom_Stereo_Count	0
123504	Hydrogen_Bond_Acceptor_Count	2
137553930	Rotatable_Bond_Count	4
565684	Undefined_Bond_Stereo_Count	1
6918295	Total_Formal_Charge	0
135565940	Isotope_Atom_Count	0
240230	Molecular_Weight	142.24
83517	Molecular_Weight	492.43
80668	Total_Formal_Charge	0
138891	Defined_Bond_Stereo_Count	0
448372	Non-hydrogen_Atom_Count	15
23724967	Covalent_Unit_Count	5
122528532	Hydrogen_Bond_Acceptor_Count	3
6918639	Total_Formal_Charge	0
16058317	Hydrogen_Bond_Acceptor_Count	19
148557	Tautomer_Count	1
23675737	Tautomer_Count	4
12456033	Structure_Complexity	175
945	XLogP3-AA	0.2
60464	Undefined_Atom_Stereo_Count	0
91696	Total_Formal_Charge	0
10239	Defined_Bond_Stereo_Count	0
6335487	Hydrogen_Bond_Acceptor_Count	7
259821	Undefined_Atom_Stereo_Count	0
342378	Covalent_Unit_Count	1
44418576	Undefined_Atom_Stereo_Count	0
119242	Hydrogen_Bond_Acceptor_Count	1
68868	TPSA	80.7
85792900	Undefined_Bond_Stereo_Count	0
14743344	Undefined_Atom_Stereo_Count	0
89317	Rotatable_Bond_Count	3
135398558	Undefined_Bond_Stereo_Count	0
14809442	Structure_Complexity	102
12787246	Undefined_Bond_Stereo_Count	0
5738	Hydrogen_Bond_Acceptor_Count	7
180504	Non-hydrogen_Atom_Count	27
9798437	Rotatable_Bond_Count	3
54607635	Non-hydrogen_Atom_Count	32
8138	Isotope_Atom_Count	0
7021156	Molecular_Weight	118.17
31191	Hydrogen_Bond_Donor_Count	1
88589623	Hydrogen_Bond_Acceptor_Count	14
7454	Exact_Mass	277.87649
96402	Exact_Mass	278.0629059
5252031	Defined_Atom_Stereo_Count	0
7831	Defined_Bond_Stereo_Count	0
66117	Hydrogen_Bond_Acceptor_Count	4
54681623	XLogP3-AA	2.7
375912	Defined_Bond_Stereo_Count	0
1061	Tautomer_Count	1
14464	Hydrogen_Bond_Donor_Count	4
154081039	Hydrogen_Bond_Donor_Count	0
443157	Total_Formal_Charge	0
12338093	Defined_Bond_Stereo_Count	0
3086157	Hydrogen_Bond_Donor_Count	1
62253	TPSA	27.7
46930998	Isotope_Atom_Count	0
4158	Molecular_Weight	233.31
139086112	Defined_Bond_Stereo_Count	0
128882	Total_Formal_Charge	0
57716	Total_Formal_Charge	0
1544	Rotatable_Bond_Count	22
22033948	Hydrogen_Bond_Acceptor_Count	3
14671573	Structure_Complexity	70.8
39793	Hydrogen_Bond_Acceptor_Count	4
7017101	Molecular_Weight	124.14
163872486	Defined_Atom_Stereo_Count	11
447835	Isotope_Atom_Count	0
76957744	Defined_Bond_Stereo_Count	0
23525993	Rotatable_Bond_Count	3
54929	Rotatable_Bond_Count	6
442912	Hydrogen_Bond_Donor_Count	1
91747	Isotope_Atom_Count	0
3459	Total_Formal_Charge	0
135582708	Mono_Isotopic_Weight	324.09306551
45345	TPSA	21.7
596	Hydrogen_Bond_Acceptor_Count	5
139031529	XLogP3	0.7
6420096	Total_Formal_Charge	0
12835187	XLogP3-AA	0.2
4206	Defined_Bond_Stereo_Count	0
93203	Hydrogen_Bond_Acceptor_Count	4
60196407	Defined_Atom_Stereo_Count	1
24096961	Molecular_Weight	324.4
2724640	Structure_Complexity	136
9855350	TPSA	710
129744573	Molecular_Weight	111.10
13032471	Isotope_Atom_Count	0
23087	TPSA	50.1
67950444	Hydrogen_Bond_Donor_Count	5
7802604	Isotope_Atom_Count	0
62655	Mono_Isotopic_Weight	237.88299787
724228	Total_Formal_Charge	0
53436345	Total_Formal_Charge	0
22057568	Hydrogen_Bond_Donor_Count	0
9548801	Hydrogen_Bond_Donor_Count	8
15747657	Defined_Bond_Stereo_Count	0
11909	Covalent_Unit_Count	1
53737519	Non-hydrogen_Atom_Count	7
59259660	Undefined_Bond_Stereo_Count	0
35922	Undefined_Bond_Stereo_Count	0
82400	Structure_Complexity	414
361739	TPSA	34.1
5062223	Undefined_Bond_Stereo_Count	0
71932	Structure_Complexity	406
59456120	Hydrogen_Bond_Acceptor_Count	8
60569	Defined_Bond_Stereo_Count	0
45480603	TPSA	158
16666	XLogP3-AA	3
123165994	Total_Formal_Charge	0
136965670	Hydrogen_Bond_Donor_Count	15
2909	Undefined_Bond_Stereo_Count	1
3080646	Hydrogen_Bond_Donor_Count	2
12407016	Rotatable_Bond_Count	0
17244514	Structure_Complexity	57.7
91185	TPSA	41.8
587348	Isotope_Atom_Count	0
3741048	Undefined_Atom_Stereo_Count	0
12285869	Exact_Mass	180.06338810
699	Hydrogen_Bond_Acceptor_Count	5
54726191	Hydrogen_Bond_Acceptor_Count	8
12302694	Defined_Bond_Stereo_Count	0
415628	Exact_Mass	196.0767261
18218196	Hydrogen_Bond_Acceptor_Count	6
139341721	Total_Formal_Charge	0
3796816	Mono_Isotopic_Weight	110.036779430
16219856	TPSA	138
236146	TPSA	23.8
66295	Mono_Isotopic_Weight	84.057514874
11263488	Undefined_Bond_Stereo_Count	0
98810	XLogP3	0.2
182420	Tautomer_Count	1
6335507	Rotatable_Bond_Count	10
75987092	Undefined_Atom_Stereo_Count	1
4048819	Mono_Isotopic_Weight	157.110278721
54698175	Exact_Mass	542.17049376
3906961	Isotope_Atom_Count	0
135968625	Mono_Isotopic_Weight	876.45207349
40438	Isotope_Atom_Count	0
580104	Isotope_Atom_Count	0
41376	Mono_Isotopic_Weight	321.17356494
17753880	Hydrogen_Bond_Acceptor_Count	4
2393	Molecular_Weight	1159.2
45380791	TPSA	85.6
54736486	Exact_Mass	310.12050905
922	Defined_Bond_Stereo_Count	0
71454296	Hydrogen_Bond_Donor_Count	2
92660	Molecular_Weight	246.09
423438	Defined_Atom_Stereo_Count	0
17963315	XLogP3-AA	4.7
15522	Undefined_Atom_Stereo_Count	2
64765	TPSA	4.2
3414	Hydrogen_Bond_Donor_Count	0
11122050	Rotatable_Bond_Count	3
431249	Structure_Complexity	668
6857538	Undefined_Atom_Stereo_Count	0
55473	Covalent_Unit_Count	1
81653	Non-hydrogen_Atom_Count	7
73101855	Rotatable_Bond_Count	11
10822	Hydrogen_Bond_Acceptor_Count	1
543038	TPSA	26.3
7911	Covalent_Unit_Count	1
270010	Mono_Isotopic_Weight	162.02516937
30815	Undefined_Bond_Stereo_Count	0
11539235	Defined_Atom_Stereo_Count	0
67210	Undefined_Atom_Stereo_Count	0
85896	Rotatable_Bond_Count	3
26859	Exact_Mass	275.16337692
21876618	Hydrogen_Bond_Acceptor_Count	2
6438895	Covalent_Unit_Count	1
104746	Undefined_Bond_Stereo_Count	0
54569113	Isotope_Atom_Count	0
83953	Defined_Bond_Stereo_Count	0
41088	Exact_Mass	162.125594432
1511	Rotatable_Bond_Count	3
5284506	Hydrogen_Bond_Donor_Count	0
6539297	Hydrogen_Bond_Acceptor_Count	8
117045595	TPSA	29.1
129864896	Exact_Mass	109.063997236
5284456	Total_Formal_Charge	0
25644	Defined_Atom_Stereo_Count	0
21093905	Molecular_Weight	378.9
1212	Structure_Complexity	292
28292	Undefined_Atom_Stereo_Count	0
6437064	Mono_Isotopic_Weight	688.39751874
70023156	Undefined_Atom_Stereo_Count	1
11908385	Exact_Mass	342.11621151
27119	Undefined_Atom_Stereo_Count	0
968081	Undefined_Bond_Stereo_Count	0
184644	Defined_Atom_Stereo_Count	12
16844	Non-hydrogen_Atom_Count	9
11494412	Undefined_Atom_Stereo_Count	0
21024274	Molecular_Weight	118.17
75614	Rotatable_Bond_Count	5
134812477	Hydrogen_Bond_Donor_Count	4
23669624	Structure_Complexity	184
85971419	Covalent_Unit_Count	1
76860	Undefined_Bond_Stereo_Count	0
14844402	Structure_Complexity	1080
22222152	Total_Formal_Charge	0
135398721	Total_Formal_Charge	0
413540	Hydrogen_Bond_Acceptor_Count	1
139158	Non-hydrogen_Atom_Count	7
11940	Defined_Bond_Stereo_Count	0
5288565	Mono_Isotopic_Weight	906.11834383
941361	Total_Formal_Charge	0
71384	Exact_Mass	268.11715500
72502326	Covalent_Unit_Count	1
67004	Total_Formal_Charge	0
86640	Hydrogen_Bond_Donor_Count	0
22323434	Exact_Mass	466.19771322
136048918	Total_Formal_Charge	0
5281915	TPSA	52.6
135921797	Undefined_Bond_Stereo_Count	0
121396	Exact_Mass	190.05897142
54901	Defined_Bond_Stereo_Count	0
72200631	Mono_Isotopic_Weight	579.26411653
5116	Molecular_Weight	333.2
38302	Undefined_Bond_Stereo_Count	0
56675699	XLogP3-AA	3.7
275196	XLogP3-AA	2.7
9419	Isotope_Atom_Count	0
13222108	Undefined_Bond_Stereo_Count	0
165079254	Hydrogen_Bond_Donor_Count	2
12519677	Molecular_Weight	111.14
3080653	Undefined_Atom_Stereo_Count	0
17695	Undefined_Bond_Stereo_Count	0
2527	Molecular_Weight	233.26
538736	Total_Formal_Charge	0
61361	Molecular_Weight	190.24
3082717	Tautomer_Count	1
20727	Structure_Complexity	63.5
57522038	Non-hydrogen_Atom_Count	27
119259	Hydrogen_Bond_Donor_Count	3
6410	XLogP3-AA	0.6
12385064	Non-hydrogen_Atom_Count	8
2406	Defined_Atom_Stereo_Count	0
77137	Structure_Complexity	50
86209	Isotope_Atom_Count	0
539001	Total_Formal_Charge	0
39507	Tautomer_Count	6
21417010	Defined_Bond_Stereo_Count	0
6537	Isotope_Atom_Count	0
24846	Molecular_Weight	164.14
21054637	Defined_Bond_Stereo_Count	0
11480819	TPSA	110
17754438	Covalent_Unit_Count	1
165339206	Undefined_Atom_Stereo_Count	0
4211	Mono_Isotopic_Weight	317.953661
23691042	Undefined_Bond_Stereo_Count	0
433294	Covalent_Unit_Count	2
71072113	Molecular_Weight	505.5
28187	Non-hydrogen_Atom_Count	14
4980	Defined_Bond_Stereo_Count	0
79013	Molecular_Weight	478.7
6096880	Defined_Bond_Stereo_Count	0
6727	Mono_Isotopic_Weight	457.2051535
15565709	Defined_Atom_Stereo_Count	1
19284	Isotope_Atom_Count	0
165345	Defined_Atom_Stereo_Count	0
13754	Molecular_Weight	288.28
27430	Hydrogen_Bond_Donor_Count	0
5107	Hydrogen_Bond_Donor_Count	4
2900	Total_Formal_Charge	0
96651	Defined_Bond_Stereo_Count	0
93032	Molecular_Weight	175.18
25200272	Hydrogen_Bond_Donor_Count	6
8083388	Rotatable_Bond_Count	4
13126	Non-hydrogen_Atom_Count	30
118210118	XLogP3-AA	0
7337	Isotope_Atom_Count	0
114834	Hydrogen_Bond_Donor_Count	0
91693	Exact_Mass	283.0643029
11787	Molecular_Weight	178.61
27582	Rotatable_Bond_Count	0
5311055	Undefined_Atom_Stereo_Count	0
85576	Total_Formal_Charge	0
5297	Covalent_Unit_Count	1
37768	Total_Formal_Charge	0
11648276	TPSA	52.8
70106	Hydrogen_Bond_Donor_Count	0
16129703	Molecular_Weight	6963
17754772	Non-hydrogen_Atom_Count	23
19349372	Rotatable_Bond_Count	1
54678431	Structure_Complexity	681
27422	Defined_Atom_Stereo_Count	0
76223135	Rotatable_Bond_Count	0
53326688	XLogP3-AA	5.3
88875	Hydrogen_Bond_Donor_Count	0
86210	Total_Formal_Charge	0
135942119	Undefined_Bond_Stereo_Count	0
35676	Hydrogen_Bond_Donor_Count	2
71458922	Mono_Isotopic_Weight	462.27432435
11519741	Hydrogen_Bond_Acceptor_Count	7
123827359	Undefined_Atom_Stereo_Count	1
904857	Total_Formal_Charge	0
5311130	Non-hydrogen_Atom_Count	31
4029	Defined_Atom_Stereo_Count	0
44310946	Undefined_Atom_Stereo_Count	0
137735	TPSA	28.7
6420038	Isotope_Atom_Count	0
19028568	Hydrogen_Bond_Donor_Count	1
51030987	Structure_Complexity	647
10966	Mono_Isotopic_Weight	87.01427034
5354280	Defined_Bond_Stereo_Count	1
25612	Structure_Complexity	78.9
12525	Covalent_Unit_Count	3
11669987	TPSA	88
6710780	Hydrogen_Bond_Donor_Count	3
95512	Structure_Complexity	268
60196398	Total_Formal_Charge	0
445929	Undefined_Atom_Stereo_Count	0
48346	Non-hydrogen_Atom_Count	15
157294	Exact_Mass	363.19467705
17995824	Rotatable_Bond_Count	0
21225236	Covalent_Unit_Count	1
27976	Rotatable_Bond_Count	2
123117	Isotope_Atom_Count	0
5360134	Molecular_Weight	116.17
10442	Covalent_Unit_Count	1
132274082	Exact_Mass	1201.84136802
13992155	Rotatable_Bond_Count	11
607	Rotatable_Bond_Count	5
71785	Total_Formal_Charge	0
62706165	Hydrogen_Bond_Donor_Count	3
26362	TPSA	25.8
72627	Hydrogen_Bond_Donor_Count	2
60156	Molecular_Weight	303.8
344793	Undefined_Atom_Stereo_Count	1
91419129	Covalent_Unit_Count	1
9821	Total_Formal_Charge	0
56973549	Defined_Atom_Stereo_Count	0
59519119	Hydrogen_Bond_Acceptor_Count	1
18393	Rotatable_Bond_Count	3
54715668	Mono_Isotopic_Weight	188.94254
13378766	Molecular_Weight	101.10
13027931	Defined_Bond_Stereo_Count	0
5311447	Isotope_Atom_Count	0
11957635	TPSA	24.4
2742181	Hydrogen_Bond_Acceptor_Count	3
12729368	Defined_Bond_Stereo_Count	0
7736	TPSA	29.3
5165230	Hydrogen_Bond_Acceptor_Count	3
17864	Molecular_Weight	152.03
6962	Tautomer_Count	1
520711	Exact_Mass	99.104799419
68692	Defined_Bond_Stereo_Count	0
102358067	Isotope_Atom_Count	0
6412	Undefined_Atom_Stereo_Count	0
11051587	Hydrogen_Bond_Donor_Count	0
16120191	TPSA	72.2
166064699	Defined_Atom_Stereo_Count	0
93011	Molecular_Weight	163.60
439507	Isotope_Atom_Count	0
8540	Structure_Complexity	345
229932	Undefined_Atom_Stereo_Count	0
19887667	Exact_Mass	104.094963011
57082085	Defined_Atom_Stereo_Count	0
4047	Rotatable_Bond_Count	5
11970447	Exact_Mass	352.2029893
21917397	TPSA	3.9
60168097	Defined_Bond_Stereo_Count	0
145784171	Structure_Complexity	415
4369491	Hydrogen_Bond_Acceptor_Count	3
77332	Mono_Isotopic_Weight	114.104465066
84361	Defined_Atom_Stereo_Count	0
136586	TPSA	18.5
59277772	Undefined_Bond_Stereo_Count	0
56845432	Mono_Isotopic_Weight	182.07594159
86501	Non-hydrogen_Atom_Count	8
208	TPSA	157
13694815	Isotope_Atom_Count	0
30550	Undefined_Atom_Stereo_Count	4
105075	Defined_Atom_Stereo_Count	0
90488914	Rotatable_Bond_Count	6
604767	Defined_Atom_Stereo_Count	0
10131842	Exact_Mass	336.13615911
548989	Defined_Bond_Stereo_Count	0
10923804	Mono_Isotopic_Weight	275.11912932
22256270	Isotope_Atom_Count	0
64488	Undefined_Bond_Stereo_Count	0
58913258	Rotatable_Bond_Count	1
10020226	Molecular_Weight	341.79
136873	Isotope_Atom_Count	0
123309341	Mono_Isotopic_Weight	110.048012819
7255	Undefined_Bond_Stereo_Count	0
6438712	Exact_Mass	290.15180918
41022	Defined_Atom_Stereo_Count	0
19707	Defined_Atom_Stereo_Count	0
19820834	Rotatable_Bond_Count	1
12671690	Defined_Bond_Stereo_Count	0
62774675	Rotatable_Bond_Count	3
14409	TPSA	35.6
77018	Defined_Bond_Stereo_Count	0
6549	Mono_Isotopic_Weight	154.135765193
59525132	Isotope_Atom_Count	0
19708414	Defined_Atom_Stereo_Count	0
25154714	Defined_Atom_Stereo_Count	4
2724505	Covalent_Unit_Count	1
1712010	Total_Formal_Charge	0
3915	Undefined_Atom_Stereo_Count	2
75881	XLogP3-AA	1.5
640429	Hydrogen_Bond_Donor_Count	1
28397	Hydrogen_Bond_Acceptor_Count	2
154169739	Covalent_Unit_Count	1
5702238	Undefined_Bond_Stereo_Count	0
136603687	Isotope_Atom_Count	0
10923804	Structure_Complexity	240
92834	XLogP3-AA	2.5
79488	Hydrogen_Bond_Donor_Count	0
10771356	Hydrogen_Bond_Acceptor_Count	14
46936680	Isotope_Atom_Count	0
4113	Total_Formal_Charge	0
35711	Tautomer_Count	1
54758307	TPSA	92.1
151177	Molecular_Weight	404.5
6321392	Mono_Isotopic_Weight	324.10698424
92303	Structure_Complexity	448
13770	Mono_Isotopic_Weight	323.1440774
65050	Tautomer_Count	3
136586	XLogP3-AA	1.4
135438601	Tautomer_Count	9
79302	TPSA	20.2
5479530	Exact_Mass	554.04605846
15322	Mono_Isotopic_Weight	279.97490
23670770	Non-hydrogen_Atom_Count	27
20638380	Mono_Isotopic_Weight	818.6973
12487834	TPSA	40.9
622435	Defined_Bond_Stereo_Count	0
18713388	Undefined_Atom_Stereo_Count	0
8855	Undefined_Bond_Stereo_Count	0
131700489	Structure_Complexity	337
173411	Hydrogen_Bond_Donor_Count	6
5370325	Structure_Complexity	329
45109807	Defined_Bond_Stereo_Count	0
142891	Rotatable_Bond_Count	3
70837	Molecular_Weight	230.22
5352845	XLogP3-AA	4.6
124463365	Undefined_Atom_Stereo_Count	0
13486	Rotatable_Bond_Count	4
13473	Hydrogen_Bond_Acceptor_Count	2
1082	Hydrogen_Bond_Acceptor_Count	9
3035406	Structure_Complexity	1900
65663	Covalent_Unit_Count	1
10229498	Mono_Isotopic_Weight	511.932274
66783827	Undefined_Bond_Stereo_Count	0
98003	Hydrogen_Bond_Acceptor_Count	2
448601	Molecular_Weight	1019.2
59814883	Exact_Mass	110.073164938
7020642	Mono_Isotopic_Weight	262.13174244
71463896	Exact_Mass	512.35017463
34755	Structure_Complexity	527
54892	Isotope_Atom_Count	0
7288	Mono_Isotopic_Weight	86.073164938
127657	Defined_Atom_Stereo_Count	0
9835852	TPSA	67.6
165901	Defined_Atom_Stereo_Count	0
6433266	Hydrogen_Bond_Donor_Count	3
74952	Hydrogen_Bond_Acceptor_Count	0
559072	Mono_Isotopic_Weight	100.088815002
10026	Defined_Atom_Stereo_Count	0
66811197	Covalent_Unit_Count	1
2308	Covalent_Unit_Count	1
21872570	Defined_Atom_Stereo_Count	0
98694	Undefined_Bond_Stereo_Count	0
5962	Hydrogen_Bond_Acceptor_Count	4
6064	Undefined_Atom_Stereo_Count	0
73170	Non-hydrogen_Atom_Count	31
71988	Undefined_Atom_Stereo_Count	0
6432744	Non-hydrogen_Atom_Count	30
57784	Defined_Bond_Stereo_Count	0
9831415	Structure_Complexity	425
90472753	Tautomer_Count	1
16666708	Structure_Complexity	596
16049088	Defined_Bond_Stereo_Count	0
153442	Total_Formal_Charge	0
86806	Defined_Bond_Stereo_Count	0
142994149	Isotope_Atom_Count	0
67916	Undefined_Atom_Stereo_Count	0
11346	Non-hydrogen_Atom_Count	12
83086	Hydrogen_Bond_Acceptor_Count	2
168928	Structure_Complexity	878
59172784	Non-hydrogen_Atom_Count	7
25154200	Molecular_Weight	397.3
8246	Total_Formal_Charge	0
5321318	Hydrogen_Bond_Donor_Count	1
2898877	Hydrogen_Bond_Donor_Count	2
7267	Exact_Mass	122.073164938
123208701	Covalent_Unit_Count	1
15983988	Covalent_Unit_Count	1
22178220	Non-hydrogen_Atom_Count	15
1342	Hydrogen_Bond_Donor_Count	1
18506437	Defined_Atom_Stereo_Count	0
91537	Rotatable_Bond_Count	6
2816578	Hydrogen_Bond_Acceptor_Count	5
10419143	Rotatable_Bond_Count	3
5460056	Covalent_Unit_Count	1
13245716	Undefined_Bond_Stereo_Count	0
520913	Non-hydrogen_Atom_Count	7
6382	Molecular_Weight	209.82
123162	Hydrogen_Bond_Donor_Count	0
48654	Defined_Bond_Stereo_Count	0
139031455	Mono_Isotopic_Weight	553.03823343
16307	Hydrogen_Bond_Donor_Count	0
968472	Exact_Mass	328.14230712
73200935	Rotatable_Bond_Count	0
10887743	Non-hydrogen_Atom_Count	93
91506	Structure_Complexity	1610
83763	Structure_Complexity	101
440728	Undefined_Bond_Stereo_Count	0
126402	Mono_Isotopic_Weight	317.19909372
24892716	Defined_Bond_Stereo_Count	3
5072	Total_Formal_Charge	0
4068	Structure_Complexity	801
11974	XLogP3-AA	3.2
118658477	Mono_Isotopic_Weight	111.068413911
20770532	Mono_Isotopic_Weight	111.068413911
56672298	Total_Formal_Charge	0
221961	XLogP3-AA	0.6
121938	Hydrogen_Bond_Donor_Count	1
126997316	Defined_Bond_Stereo_Count	0
23989	Hydrogen_Bond_Donor_Count	0
10778228	Hydrogen_Bond_Donor_Count	3
107715	Isotope_Atom_Count	0
13562	Molecular_Weight	103.12
55289472	Undefined_Atom_Stereo_Count	0
62278	Defined_Bond_Stereo_Count	0
129893562	Hydrogen_Bond_Donor_Count	11
24875372	Molecular_Weight	500.7
70769	Covalent_Unit_Count	1
2898	Total_Formal_Charge	0
6866	TPSA	12.9
57575	TPSA	111
659218	Structure_Complexity	315
10341154	Defined_Atom_Stereo_Count	0
9793727	Molecular_Weight	112.13
8313	Exact_Mass	353.848008
13586	Undefined_Bond_Stereo_Count	0
16219954	Total_Formal_Charge	0
132281917	Molecular_Weight	578.3
46830489	Exact_Mass	330.18444672
13222108	Hydrogen_Bond_Acceptor_Count	2
13761353	Defined_Bond_Stereo_Count	0
34756	Rotatable_Bond_Count	7
19604	Molecular_Weight	268.70
687906	TPSA	69.6
443956	Hydrogen_Bond_Donor_Count	10
24196	Defined_Bond_Stereo_Count	0
8351	Undefined_Atom_Stereo_Count	0
48362	Hydrogen_Bond_Acceptor_Count	1
92806	Non-hydrogen_Atom_Count	24
994360	Hydrogen_Bond_Donor_Count	1
18980946	Isotope_Atom_Count	0
80778	Isotope_Atom_Count	0
5363095	Tautomer_Count	1
446195	Non-hydrogen_Atom_Count	17
636371	Rotatable_Bond_Count	9
77930	Defined_Bond_Stereo_Count	0
346695	Molecular_Weight	261.70
54767229	Hydrogen_Bond_Acceptor_Count	5
32756	TPSA	273
164164517	Isotope_Atom_Count	0
37	Non-hydrogen_Atom_Count	12
122360911	Covalent_Unit_Count	1
98930	Hydrogen_Bond_Donor_Count	0
86184	Hydrogen_Bond_Donor_Count	1
13924394	Mono_Isotopic_Weight	112.052429494
3424	Molecular_Weight	303.4
409350	Defined_Atom_Stereo_Count	0
9394	XLogP3-AA	5.7
23311753	Hydrogen_Bond_Acceptor_Count	3
54585032	Structure_Complexity	337
143847825	Exact_Mass	112.027277375
3184	TPSA	90.2
16211113	Structure_Complexity	112
73949	Total_Formal_Charge	0
73820465	Hydrogen_Bond_Donor_Count	2
81358402	Non-hydrogen_Atom_Count	8
598	TPSA	63.8
20548464	Total_Formal_Charge	0
57565875	Non-hydrogen_Atom_Count	7
19349372	Hydrogen_Bond_Acceptor_Count	1
105130	Rotatable_Bond_Count	0
5068681	Mono_Isotopic_Weight	105.078978594
57750312	Covalent_Unit_Count	1
131634423	Mono_Isotopic_Weight	394.1127302
12296	Molecular_Weight	102.17
5486700	Structure_Complexity	1560
44338970	Molecular_Weight	485.6
85624637	Molecular_Weight	102.13
31284	Defined_Atom_Stereo_Count	0
9835852	Total_Formal_Charge	0
45358180	Mono_Isotopic_Weight	882.34445505
400772	Undefined_Atom_Stereo_Count	0
58746	Undefined_Atom_Stereo_Count	1
66769579	Exact_Mass	97.052763847
129905275	Hydrogen_Bond_Donor_Count	4
53318409	Rotatable_Bond_Count	3
11743862	Mono_Isotopic_Weight	438.10832773
5318	Non-hydrogen_Atom_Count	24
24961094	Isotope_Atom_Count	0
76168	Exact_Mass	318.0326684
324379	Undefined_Bond_Stereo_Count	0
11722	Rotatable_Bond_Count	1
19029677	Isotope_Atom_Count	0
10654176	Undefined_Atom_Stereo_Count	1
40839	Mono_Isotopic_Weight	753.41014911
106823823	Mono_Isotopic_Weight	116.083729621
24812731	Exact_Mass	455.09679023
23663400	Undefined_Bond_Stereo_Count	0
53956489	Defined_Atom_Stereo_Count	0
52949760	Mono_Isotopic_Weight	369.18748367
68652936	Isotope_Atom_Count	0
167	Undefined_Bond_Stereo_Count	0
550825	Defined_Atom_Stereo_Count	0
22320095	Structure_Complexity	83
23649154	Defined_Bond_Stereo_Count	0
121249	XLogP3	4.5
162955685	Mono_Isotopic_Weight	342.11621151
7013	Hydrogen_Bond_Acceptor_Count	1
23434975	Non-hydrogen_Atom_Count	7
25167947	Total_Formal_Charge	0
53917786	Undefined_Bond_Stereo_Count	0
44244962	TPSA	77.4
79010	Isotope_Atom_Count	0
25110841	Covalent_Unit_Count	1
3365	Undefined_Atom_Stereo_Count	0
11768539	Tautomer_Count	1
9919942	Rotatable_Bond_Count	28
28905	Total_Formal_Charge	0
11708045	Defined_Bond_Stereo_Count	0
53894233	Isotope_Atom_Count	0
108227	Hydrogen_Bond_Donor_Count	2
2745	Defined_Atom_Stereo_Count	0
17564	XLogP3	4.7
47419	Defined_Atom_Stereo_Count	2
17497	Covalent_Unit_Count	1
45794	TPSA	20.2
20665999	Undefined_Atom_Stereo_Count	0
4273	Structure_Complexity	551
101938021	Undefined_Atom_Stereo_Count	0
10301885	Non-hydrogen_Atom_Count	37
197127	Covalent_Unit_Count	1
69027241	Mono_Isotopic_Weight	95.037113783
9794218	Mono_Isotopic_Weight	200.04081944
6017	Total_Formal_Charge	0
51371732	Hydrogen_Bond_Acceptor_Count	5
61098	Molecular_Weight	210.31
54526114	Total_Formal_Charge	0
38141	Mono_Isotopic_Weight	371.1764402
119499	Defined_Bond_Stereo_Count	0
6334	TPSA	0
158385	Defined_Atom_Stereo_Count	0
6336505	Hydrogen_Bond_Donor_Count	3
9595287	Defined_Bond_Stereo_Count	1
270563	Mono_Isotopic_Weight	219.98876
6757	Undefined_Atom_Stereo_Count	0
102119819	Hydrogen_Bond_Acceptor_Count	5
101895952	Non-hydrogen_Atom_Count	34
590845	Mono_Isotopic_Weight	277.10266837
8565	Undefined_Bond_Stereo_Count	0
54519	Structure_Complexity	317
55423	Hydrogen_Bond_Donor_Count	1
44338785	Hydrogen_Bond_Donor_Count	4
97637	Hydrogen_Bond_Acceptor_Count	1
6476333	Hydrogen_Bond_Acceptor_Count	15
135564996	Molecular_Weight	538.6
5371002	Isotope_Atom_Count	0
12360	Covalent_Unit_Count	1
44563146	Mono_Isotopic_Weight	372.15101554
67249135	XLogP3-AA	4.8
63303	Total_Formal_Charge	1
10518	Structure_Complexity	406
6675	TPSA	153
11138	XLogP3-AA	0.5
7346	Defined_Bond_Stereo_Count	0
13456556	Defined_Atom_Stereo_Count	0
23163355	Hydrogen_Bond_Acceptor_Count	3
5713	TPSA	106
30751	Undefined_Bond_Stereo_Count	0
178080	Structure_Complexity	545
123867503	Defined_Bond_Stereo_Count	0
64033	Non-hydrogen_Atom_Count	19
79302	Covalent_Unit_Count	1
6419807	TPSA	51.4
136059	Non-hydrogen_Atom_Count	8
15842091	Defined_Atom_Stereo_Count	0
3714	Covalent_Unit_Count	1
8042	Defined_Atom_Stereo_Count	0
342	Isotope_Atom_Count	0
54587596	Total_Formal_Charge	0
12111	Isotope_Atom_Count	0
4042	Undefined_Bond_Stereo_Count	0
11477833	Hydrogen_Bond_Donor_Count	3
15188270	Exact_Mass	83.073499291
538757	Non-hydrogen_Atom_Count	10
82740	Isotope_Atom_Count	0
2691	Isotope_Atom_Count	0
1254	Mono_Isotopic_Weight	156.151415257
89143818	Covalent_Unit_Count	1
15765	Hydrogen_Bond_Donor_Count	1
8811	Mono_Isotopic_Weight	264.137496527
6416	Mono_Isotopic_Weight	100.088815002
136237946	Isotope_Atom_Count	0
5293	Undefined_Atom_Stereo_Count	4
60359	Mono_Isotopic_Weight	449.19844227
146465392	Defined_Atom_Stereo_Count	0
583337	Exact_Mass	177.078978594
21789	Rotatable_Bond_Count	1
44137674	Rotatable_Bond_Count	7
23981	Molecular_Weight	151.964
137347967	Covalent_Unit_Count	1
45345	Covalent_Unit_Count	1
102182857	Defined_Atom_Stereo_Count	0
13437344	Total_Formal_Charge	0
5353831	Hydrogen_Bond_Donor_Count	2
10909502	Hydrogen_Bond_Acceptor_Count	2
5263	Hydrogen_Bond_Donor_Count	2
180081	Undefined_Atom_Stereo_Count	0
72823952	Undefined_Bond_Stereo_Count	0
9568077	Exact_Mass	313.1193192
70002683	Undefined_Bond_Stereo_Count	0
42602260	Defined_Bond_Stereo_Count	0
88789571	Hydrogen_Bond_Acceptor_Count	1
7190	TPSA	37.3
147707445	Structure_Complexity	382
1118	Defined_Atom_Stereo_Count	0
3483736	Total_Formal_Charge	1
5288319	Total_Formal_Charge	0
99516	Exact_Mass	416.32904526
278580	Undefined_Atom_Stereo_Count	4
11768551	Covalent_Unit_Count	1
19430196	Hydrogen_Bond_Donor_Count	0
10083	Structure_Complexity	274
35087	Covalent_Unit_Count	1
6293	Mono_Isotopic_Weight	240.04225873
69332716	Hydrogen_Bond_Acceptor_Count	3
10017019	Defined_Bond_Stereo_Count	0
44251266	Exact_Mass	376.22497412
103656	XLogP3-AA	2
67938294	Hydrogen_Bond_Acceptor_Count	2
13931173	Hydrogen_Bond_Acceptor_Count	2
39066	Covalent_Unit_Count	1
134695353	Covalent_Unit_Count	1
1549103	Covalent_Unit_Count	1
91742	Rotatable_Bond_Count	7
51951	Tautomer_Count	1
16131448	Molecular_Weight	1809.0
6437859	Mono_Isotopic_Weight	224.1080262
1578	Rotatable_Bond_Count	0
10975460	Non-hydrogen_Atom_Count	8
17912027	Non-hydrogen_Atom_Count	7
11908450	Non-hydrogen_Atom_Count	23
548282	Total_Formal_Charge	0
89206022	Rotatable_Bond_Count	13
13483800	Undefined_Bond_Stereo_Count	0
22344	Mono_Isotopic_Weight	219.847482
21354291	Structure_Complexity	138
378348	Rotatable_Bond_Count	0
139079484	Defined_Atom_Stereo_Count	0
7579	Defined_Atom_Stereo_Count	0
59540609	Mono_Isotopic_Weight	111.068413911
134399	Mono_Isotopic_Weight	129.115364102
504571	Undefined_Bond_Stereo_Count	0
5478927	TPSA	121
12248569	XLogP3-AA	0.9
74319	Molecular_Weight	197.23
690109	Rotatable_Bond_Count	1
13795010	Covalent_Unit_Count	1
67374618	Molecular_Weight	398.5
122361528	Hydrogen_Bond_Acceptor_Count	17
19066	Defined_Atom_Stereo_Count	0
136511	Molecular_Weight	108.14
9934492	Hydrogen_Bond_Donor_Count	7
57385877	Mono_Isotopic_Weight	369.24162724
415868	Undefined_Atom_Stereo_Count	2
73211	Covalent_Unit_Count	1
141466486	Total_Formal_Charge	0
11789141	Undefined_Bond_Stereo_Count	0
433956	Hydrogen_Bond_Acceptor_Count	2
6918509	Undefined_Bond_Stereo_Count	0
249266	Undefined_Atom_Stereo_Count	0
21322953	Hydrogen_Bond_Acceptor_Count	2
99143	Undefined_Atom_Stereo_Count	0
3843	Isotope_Atom_Count	0
135433604	Isotope_Atom_Count	0
11550005	Isotope_Atom_Count	0
16154789	XLogP3-AA	1.7
15277	Isotope_Atom_Count	0
6433554	Undefined_Bond_Stereo_Count	0
33934	Hydrogen_Bond_Donor_Count	0
11286443	Exact_Mass	100.063662883
10176126	Covalent_Unit_Count	1
45488115	Defined_Bond_Stereo_Count	0
33184	TPSA	41.1
16212969	Defined_Bond_Stereo_Count	2
6538999	Mono_Isotopic_Weight	485.1385304
5486172	XLogP3-AA	0
42768	Molecular_Weight	520.6
18469777	Non-hydrogen_Atom_Count	7
944	Undefined_Bond_Stereo_Count	0
151085	Molecular_Weight	104.15
8492	Defined_Bond_Stereo_Count	0
24828759	Defined_Bond_Stereo_Count	0
11546	XLogP3-AA	1.6
13708	Tautomer_Count	1
73271	TPSA	95.5
5606	Undefined_Atom_Stereo_Count	1
124956	TPSA	59.1
441757	Rotatable_Bond_Count	2
123191142	Defined_Bond_Stereo_Count	0
11377	Defined_Atom_Stereo_Count	0
134879127	Rotatable_Bond_Count	4
103565751	Covalent_Unit_Count	1
22751786	Undefined_Atom_Stereo_Count	0
23700091	Structure_Complexity	218
58420420	Undefined_Atom_Stereo_Count	0
5324054	Defined_Atom_Stereo_Count	0
1143	Defined_Bond_Stereo_Count	0
53943526	Rotatable_Bond_Count	0
6918030	Defined_Bond_Stereo_Count	1
68157	TPSA	21.6
6056	Exact_Mass	135.104799419
637564	Hydrogen_Bond_Acceptor_Count	1
13081	Molecular_Weight	342.9
7749	Exact_Mass	102.068079557
96522	Hydrogen_Bond_Acceptor_Count	3
44230999	TPSA	128
681963	Molecular_Weight	257.33
250451	Total_Formal_Charge	0
13698369	Undefined_Bond_Stereo_Count	0
68074148	Structure_Complexity	94.7
11063784	Defined_Atom_Stereo_Count	2
8210	XLogP3	1.9
68321854	Mono_Isotopic_Weight	337.15387487
45095	Exact_Mass	333.0534634
12510987	Hydrogen_Bond_Acceptor_Count	2
14081616	Molecular_Weight	110.16
70250504	Mono_Isotopic_Weight	544.24744090
292	Undefined_Atom_Stereo_Count	9
83242	XLogP3	2.4
14753032	Mono_Isotopic_Weight	546.19369124
71512	Undefined_Bond_Stereo_Count	0
10143016	Total_Formal_Charge	0
108026	XLogP3-AA	2.5
66803	Non-hydrogen_Atom_Count	19
5230729	Structure_Complexity	262
24872560	Isotope_Atom_Count	0
57504266	Mono_Isotopic_Weight	452.1363662
25799416	Isotope_Atom_Count	0
67482753	TPSA	59.2
4561	Molecular_Weight	518.8
5463858	Molecular_Weight	303.35
19687	Hydrogen_Bond_Acceptor_Count	8
31256	Tautomer_Count	6
13516401	Undefined_Bond_Stereo_Count	0
54580844	Undefined_Bond_Stereo_Count	0
216325	Molecular_Weight	616.9
25130088	Undefined_Atom_Stereo_Count	0
34005	Hydrogen_Bond_Acceptor_Count	2
25052023	Defined_Bond_Stereo_Count	0
45085029	Defined_Atom_Stereo_Count	0
224001	Rotatable_Bond_Count	2
235738	Undefined_Bond_Stereo_Count	0
54880	XLogP3	5.6
11954310	TPSA	43.4
21322	Undefined_Bond_Stereo_Count	0
101254314	Non-hydrogen_Atom_Count	12
17948845	TPSA	72.2
6328152	Hydrogen_Bond_Donor_Count	1
54144903	Undefined_Atom_Stereo_Count	1
28292	Isotope_Atom_Count	0
7068	Defined_Bond_Stereo_Count	0
21562395	Rotatable_Bond_Count	2
626366	Isotope_Atom_Count	0
6918498	Structure_Complexity	503
14923671	Structure_Complexity	94.6
10646616	Isotope_Atom_Count	0
70150	Rotatable_Bond_Count	1
3406	Hydrogen_Bond_Donor_Count	1
73093	Rotatable_Bond_Count	9
239819	Defined_Bond_Stereo_Count	0
36523	TPSA	475
2813282	Defined_Atom_Stereo_Count	0
10239769	Isotope_Atom_Count	0
7303	Undefined_Bond_Stereo_Count	0
87280032	Total_Formal_Charge	0
21879319	TPSA	55.4
10898	Tautomer_Count	1
5370664	XLogP3	1
57939635	Rotatable_Bond_Count	1
131705644	Total_Formal_Charge	0
522325	Mono_Isotopic_Weight	333.07592146
137547	Mono_Isotopic_Weight	84.021129366
123628273	Covalent_Unit_Count	1
87446	Tautomer_Count	14
14849721	Structure_Complexity	46.5
4336361	Undefined_Bond_Stereo_Count	0
6539304	Isotope_Atom_Count	0
5009	Defined_Bond_Stereo_Count	0
10070040	Undefined_Atom_Stereo_Count	0
83822	Covalent_Unit_Count	1
6828291	Total_Formal_Charge	0
88344183	Rotatable_Bond_Count	10
486026	Covalent_Unit_Count	1
20253	Isotope_Atom_Count	0
27503	Rotatable_Bond_Count	6
69558	Defined_Atom_Stereo_Count	0
216324	Hydrogen_Bond_Donor_Count	1
12711588	Mono_Isotopic_Weight	116.047344113
4453511	Rotatable_Bond_Count	3
7415	Exact_Mass	127.136099547
12668	Molecular_Weight	162.27
6327	Total_Formal_Charge	0
118701498	Mono_Isotopic_Weight	332.23514488
146767	XLogP3-AA	1.6
44596665	Hydrogen_Bond_Acceptor_Count	14
13068	Exact_Mass	192.093900383
55287849	Molecular_Weight	99.13
320459	Isotope_Atom_Count	0
66586378	Hydrogen_Bond_Donor_Count	2
81450	Molecular_Weight	230.24
68260574	Undefined_Bond_Stereo_Count	0
65442	Tautomer_Count	1
49846579	Defined_Atom_Stereo_Count	0
89374436	Undefined_Atom_Stereo_Count	0
17880	Molecular_Weight	680.7
12711601	Covalent_Unit_Count	1
141411141	Isotope_Atom_Count	0
8176	Non-hydrogen_Atom_Count	11
71456042	Exact_Mass	484.13042228
94671	Total_Formal_Charge	0
87074	Hydrogen_Bond_Donor_Count	1
558502	Hydrogen_Bond_Donor_Count	1
1437819	Covalent_Unit_Count	1
16760	Structure_Complexity	219
439791	Hydrogen_Bond_Acceptor_Count	2
8168	TPSA	3.2
154526012	TPSA	26.3
123658	Covalent_Unit_Count	1
11612445	Covalent_Unit_Count	1
90892	Defined_Atom_Stereo_Count	0
16129704	Defined_Atom_Stereo_Count	16
22016574	Non-hydrogen_Atom_Count	7
12594098	Undefined_Atom_Stereo_Count	3
91663303	Mono_Isotopic_Weight	475.23587315
5459765	Rotatable_Bond_Count	0
138979	XLogP3-AA	0.9
13172504	XLogP3-AA	1.6
20279	Rotatable_Bond_Count	2
46933	Hydrogen_Bond_Acceptor_Count	3
6746	Isotope_Atom_Count	0
75357255	Rotatable_Bond_Count	1
17873276	Isotope_Atom_Count	0
79576984	Rotatable_Bond_Count	4
69561	Total_Formal_Charge	0
6602383	Defined_Atom_Stereo_Count	5
34695	Defined_Bond_Stereo_Count	0
44183569	Undefined_Atom_Stereo_Count	0
79148	Defined_Atom_Stereo_Count	0
537037	TPSA	135
644102	Structure_Complexity	124
64692	Undefined_Bond_Stereo_Count	0
639391	Hydrogen_Bond_Acceptor_Count	3
24831714	TPSA	104
79316	Structure_Complexity	245
6520	Undefined_Atom_Stereo_Count	0
5727	Rotatable_Bond_Count	0
123963	Mono_Isotopic_Weight	204.089877630
15570	XLogP3	0.5
30461	Molecular_Weight	206.24
62872	XLogP3	7.3
439168	Tautomer_Count	4
12993402	Structure_Complexity	351
15356533	Isotope_Atom_Count	0
21051392	Hydrogen_Bond_Acceptor_Count	1
53262012	Undefined_Atom_Stereo_Count	1
20722789	Exact_Mass	120.043596145
23616669	Rotatable_Bond_Count	16
156212	Defined_Bond_Stereo_Count	0
90983133	Structure_Complexity	77.2
87642220	Defined_Atom_Stereo_Count	10
13658	Defined_Atom_Stereo_Count	0
3283	Hydrogen_Bond_Acceptor_Count	1
23625795	Defined_Bond_Stereo_Count	0
537025	Covalent_Unit_Count	1
7904	Covalent_Unit_Count	1
289539	Rotatable_Bond_Count	0
59149763	Defined_Bond_Stereo_Count	0
154095	Non-hydrogen_Atom_Count	37
721947	Mono_Isotopic_Weight	332.9838118
16710	Rotatable_Bond_Count	7
90567	Hydrogen_Bond_Acceptor_Count	1
11926	Mono_Isotopic_Weight	143.073499291
68154	Undefined_Bond_Stereo_Count	0
13396	Rotatable_Bond_Count	0
53378550	Defined_Bond_Stereo_Count	0
70590037	Covalent_Unit_Count	4
11852	Structure_Complexity	150
21365956	Molecular_Weight	281.31
159871	TPSA	83.6
41049	Defined_Atom_Stereo_Count	0
130872	Exact_Mass	260.02971899
44909	Exact_Mass	253.06774
11519741	Defined_Atom_Stereo_Count	1
57915	Structure_Complexity	279
71713951	TPSA	106
130025161	Total_Formal_Charge	0
91851108	Non-hydrogen_Atom_Count	23
156460742	Molecular_Weight	117.15
870718	XLogP3-AA	1.4
14300	Isotope_Atom_Count	0
13037934	Rotatable_Bond_Count	15
925852	Total_Formal_Charge	0
53378550	Molecular_Weight	453.9
194637	Exact_Mass	590.28930571
72775170	TPSA	58.6
9150	Structure_Complexity	282
13245696	Total_Formal_Charge	0
86252	Hydrogen_Bond_Donor_Count	1
11966129	Structure_Complexity	1680
58655	Rotatable_Bond_Count	3
57713	Rotatable_Bond_Count	13
6713443	Rotatable_Bond_Count	1
46085	Defined_Bond_Stereo_Count	0
54675842	XLogP3	2.5
164179927	TPSA	95.7
61309780	Isotope_Atom_Count	0
8527	Covalent_Unit_Count	1
22186211	Exact_Mass	100.052429494
6918474	Structure_Complexity	201
135409471	Rotatable_Bond_Count	2
57238241	Molecular_Weight	92.14
73154880	TPSA	27.8
69336	Hydrogen_Bond_Acceptor_Count	3
447021	XLogP3-AA	2.4
10775424	Rotatable_Bond_Count	0
5558	Molecular_Weight	252.73
8499	Tautomer_Count	1
46203139	Defined_Bond_Stereo_Count	0
67465	TPSA	28.7
25701	Hydrogen_Bond_Donor_Count	3
105766824	Hydrogen_Bond_Acceptor_Count	1
55288840	Defined_Atom_Stereo_Count	0
21539078	Structure_Complexity	61.2
7421	Non-hydrogen_Atom_Count	10
12753	Structure_Complexity	50
59398673	Covalent_Unit_Count	1
12002	Mono_Isotopic_Weight	311.77849
54680694	Undefined_Bond_Stereo_Count	0
153627081	Exact_Mass	102.079312947
71541190	Defined_Atom_Stereo_Count	1
21473742	XLogP3-AA	0.6
135565106	Defined_Atom_Stereo_Count	0
101649230	Total_Formal_Charge	0
14324660	Defined_Atom_Stereo_Count	0
289149	Covalent_Unit_Count	1
7890	Hydrogen_Bond_Acceptor_Count	0
3073200	Defined_Atom_Stereo_Count	0
73608879	Mono_Isotopic_Weight	120.90381
34789	Exact_Mass	239.1076919
16741245	Defined_Bond_Stereo_Count	0
57800	Undefined_Atom_Stereo_Count	0
51030053	Undefined_Bond_Stereo_Count	0
71437196	Defined_Bond_Stereo_Count	0
11840927	Mono_Isotopic_Weight	228.09324893
22591	Defined_Bond_Stereo_Count	0
61341	Exact_Mass	146.036779430
8249	Defined_Bond_Stereo_Count	0
18402	Isotope_Atom_Count	0
121494085	Undefined_Bond_Stereo_Count	0
45086609	Molecular_Weight	142.16
6971070	Undefined_Bond_Stereo_Count	0
71172	Total_Formal_Charge	0
47628	Covalent_Unit_Count	1
73919	Hydrogen_Bond_Donor_Count	4
18622350	Hydrogen_Bond_Donor_Count	0
70545463	Molecular_Weight	95.14
87886	Rotatable_Bond_Count	3
53259022	Non-hydrogen_Atom_Count	38
13721252	Hydrogen_Bond_Acceptor_Count	3
73707487	Total_Formal_Charge	0
7269	Undefined_Atom_Stereo_Count	0
19665	Hydrogen_Bond_Donor_Count	1
22967002	Non-hydrogen_Atom_Count	7
5364420	XLogP3-AA	6.9
11672905	Undefined_Bond_Stereo_Count	0
16115	Tautomer_Count	2
4659570	Mono_Isotopic_Weight	277.191603044
3048355	Structure_Complexity	432
6412	Structure_Complexity	104
121316818	Isotope_Atom_Count	0
13376	XLogP3-AA	0.8
54695720	Mono_Isotopic_Weight	407.999111
71890	XLogP3-AA	1.6
11313946	Exact_Mass	344.13069707
599202	Hydrogen_Bond_Donor_Count	0
5375	Defined_Atom_Stereo_Count	0
88955311	Hydrogen_Bond_Acceptor_Count	2
146049032	Undefined_Bond_Stereo_Count	0
117810308	Non-hydrogen_Atom_Count	7
69319	Defined_Atom_Stereo_Count	0
21996048	Structure_Complexity	88.4
41353	Undefined_Bond_Stereo_Count	0
87425	Isotope_Atom_Count	0
1299	Isotope_Atom_Count	0
13999819	TPSA	17.1
58099153	Non-hydrogen_Atom_Count	8
91994885	Total_Formal_Charge	0
580057	Total_Formal_Charge	0
4034	Exact_Mass	390.1862766
9796154	Exact_Mass	294.19434270
821629	Isotope_Atom_Count	0
15702063	Defined_Atom_Stereo_Count	0
10492	Tautomer_Count	1
7118	Isotope_Atom_Count	0
20470622	Structure_Complexity	145
163594	Undefined_Bond_Stereo_Count	0
11972518	Exact_Mass	1110.57633051
999	Non-hydrogen_Atom_Count	10
23724935	Structure_Complexity	447
38127	Structure_Complexity	545
10725321	Isotope_Atom_Count	0
134694829	Hydrogen_Bond_Acceptor_Count	11
107319	Defined_Bond_Stereo_Count	0
5282450	Hydrogen_Bond_Acceptor_Count	7
87793884	Undefined_Bond_Stereo_Count	0
18728307	Structure_Complexity	77
10197650	Total_Formal_Charge	0
139938268	Molecular_Weight	105.14
15773	Total_Formal_Charge	0
48104	Total_Formal_Charge	0
11601	Non-hydrogen_Atom_Count	6
22628	XLogP3-AA	2.2
97120	Undefined_Bond_Stereo_Count	0
40510	Tautomer_Count	1
10665	Undefined_Bond_Stereo_Count	0
7200	Defined_Atom_Stereo_Count	0
24721009	Tautomer_Count	1
76189844	TPSA	116
121734	XLogP3-AA	2.3
962001	Rotatable_Bond_Count	4
444913	TPSA	475
1897	TPSA	77.8
18521191	Total_Formal_Charge	0
7841	Hydrogen_Bond_Acceptor_Count	0
19032309	Hydrogen_Bond_Donor_Count	2
49865972	Undefined_Atom_Stereo_Count	0
62525	Molecular_Weight	431.10
24822135	Undefined_Bond_Stereo_Count	0
19974934	Hydrogen_Bond_Donor_Count	0
13528037	Rotatable_Bond_Count	7
11576068	Hydrogen_Bond_Acceptor_Count	4
559740	Tautomer_Count	1
6432217	Total_Formal_Charge	0
117072551	XLogP3-AA	4.4
56629862	Molecular_Weight	101.15
14577976	Undefined_Bond_Stereo_Count	0
140180	Isotope_Atom_Count	0
991	Covalent_Unit_Count	1
62669683	Defined_Atom_Stereo_Count	0
200734	Mono_Isotopic_Weight	118.099379685
14050	Tautomer_Count	1
439282	Undefined_Bond_Stereo_Count	0
14301363	Mono_Isotopic_Weight	408.28757437
17078	Mono_Isotopic_Weight	263.87854
11962267	Defined_Atom_Stereo_Count	0
126011	Mono_Isotopic_Weight	390.16785316
12576851	Hydrogen_Bond_Acceptor_Count	3
40472	Molecular_Weight	395.3
721137	Exact_Mass	292.0502366
5365327	Hydrogen_Bond_Acceptor_Count	2
696858	Hydrogen_Bond_Donor_Count	2
3840	Undefined_Atom_Stereo_Count	0
13974331	Non-hydrogen_Atom_Count	8
527633	Isotope_Atom_Count	0
94043	TPSA	106
135465079	Covalent_Unit_Count	1
50923	Undefined_Bond_Stereo_Count	0
13785328	XLogP3-AA	3.6
18950548	Covalent_Unit_Count	1
71460733	Hydrogen_Bond_Acceptor_Count	6
71485	Structure_Complexity	405
670359	Defined_Bond_Stereo_Count	0
59450	Exact_Mass	368.23380221
16212687	Defined_Bond_Stereo_Count	0
3802528	Mono_Isotopic_Weight	624.171497
124246	Undefined_Bond_Stereo_Count	0
11672461	Undefined_Atom_Stereo_Count	0
1549107	Structure_Complexity	265
8020	Rotatable_Bond_Count	2
16421	TPSA	96.4
5281764	XLogP3-AA	2
71452602	Isotope_Atom_Count	0
122174240	TPSA	75.6
84715999	Rotatable_Bond_Count	1
9422	Molecular_Weight	242.3
69536	Molecular_Weight	395.07
11587639	Total_Formal_Charge	0
6444834	Hydrogen_Bond_Acceptor_Count	6
24199313	Undefined_Atom_Stereo_Count	5
45270802	Isotope_Atom_Count	0
5394	Non-hydrogen_Atom_Count	14
15560	Structure_Complexity	288
123070	Exact_Mass	20.0564071114
58806287	Undefined_Bond_Stereo_Count	0
25201614	XLogP3-AA	0.7
129860447	Defined_Bond_Stereo_Count	0
21474	Defined_Atom_Stereo_Count	0
139075087	Undefined_Bond_Stereo_Count	0
932	Molecular_Weight	272.25
53708408	TPSA	26.3
33938	Mono_Isotopic_Weight	212.120115130
11632113	TPSA	111
12532	Total_Formal_Charge	0
503737	Undefined_Bond_Stereo_Count	0
5215	Hydrogen_Bond_Donor_Count	2
57190391	Hydrogen_Bond_Donor_Count	0
54594759	Molecular_Weight	99.13
143852	Structure_Complexity	91.2
11457683	Exact_Mass	116.083729621
321710	TPSA	29.1
68465774	Molecular_Weight	138.12
67054	Hydrogen_Bond_Donor_Count	2
67229	Tautomer_Count	1
69684	Mono_Isotopic_Weight	142.110613074
10351092	Non-hydrogen_Atom_Count	74
4342	Undefined_Atom_Stereo_Count	0
57395178	Defined_Atom_Stereo_Count	0
70034662	Defined_Atom_Stereo_Count	0
75828	TPSA	17.1
87452564	Rotatable_Bond_Count	3
105427064	Defined_Bond_Stereo_Count	0
54605802	Total_Formal_Charge	0
21356643	XLogP3-AA	0.4
12408	Structure_Complexity	218
84866	Mono_Isotopic_Weight	191.058243149
6445091	Undefined_Atom_Stereo_Count	0
209257	XLogP3-AA	0.4
7683	Rotatable_Bond_Count	1
17954	Covalent_Unit_Count	1
53885557	Rotatable_Bond_Count	2
7532	Hydrogen_Bond_Donor_Count	1
155713	TPSA	57.6
839580	Molecular_Weight	308.3
5941539	Structure_Complexity	577
12546246	Undefined_Bond_Stereo_Count	0
11520	Non-hydrogen_Atom_Count	8
9793	Exact_Mass	376.20498756
133021	Exact_Mass	379.1339066
1721	Mono_Isotopic_Weight	290.11140092
29385	Mono_Isotopic_Weight	102.128274515
5364448	Defined_Atom_Stereo_Count	0
9833937	Total_Formal_Charge	0
179668	Tautomer_Count	3
71679410	Mono_Isotopic_Weight	419.34787550
60195902	Total_Formal_Charge	0
439318	Rotatable_Bond_Count	6
23423585	Rotatable_Bond_Count	1
11936	TPSA	0
54572793	Isotope_Atom_Count	0
70403801	Structure_Complexity	260
3033860	Hydrogen_Bond_Donor_Count	0
436542	Rotatable_Bond_Count	1
43234	Hydrogen_Bond_Donor_Count	0
9046	Structure_Complexity	613
131721456	Structure_Complexity	386
90478690	Rotatable_Bond_Count	6
54337282	Rotatable_Bond_Count	1
517296	Total_Formal_Charge	0
137554722	Structure_Complexity	151
6538989	Total_Formal_Charge	0
21893333	Covalent_Unit_Count	1
89356917	Undefined_Bond_Stereo_Count	0
46893453	Covalent_Unit_Count	1
125468	Molecular_Weight	100.12
130122059	Total_Formal_Charge	0
18218196	Covalent_Unit_Count	1
6321	Non-hydrogen_Atom_Count	9
29084	Rotatable_Bond_Count	2
16211559	Total_Formal_Charge	0
147097491	TPSA	9.2
6713951	Total_Formal_Charge	0
12753	Defined_Bond_Stereo_Count	0
35876	Undefined_Atom_Stereo_Count	0
7580	Exact_Mass	168.093900383
706992	Hydrogen_Bond_Donor_Count	0
60478	Defined_Atom_Stereo_Count	0
22609888	Hydrogen_Bond_Donor_Count	0
53793878	Undefined_Atom_Stereo_Count	0
6145931	Hydrogen_Bond_Acceptor_Count	5
62204	XLogP3	2.4
54688706	Total_Formal_Charge	0
20188397	Structure_Complexity	101
9904	Molecular_Weight	274.4
53407792	Covalent_Unit_Count	1
98282	Tautomer_Count	3
52732	Rotatable_Bond_Count	11
47118	TPSA	0
64965	Exact_Mass	413.03098
11937	Total_Formal_Charge	0
9543528	TPSA	36.3
11556910	Rotatable_Bond_Count	5
42626680	Exact_Mass	180.06338810
71895	Defined_Bond_Stereo_Count	0
68783	Total_Formal_Charge	0
108147	Non-hydrogen_Atom_Count	59
5388993	Rotatable_Bond_Count	10
12895043	Covalent_Unit_Count	1
403924	Hydrogen_Bond_Acceptor_Count	18
31872	Hydrogen_Bond_Acceptor_Count	2
9852904	Molecular_Weight	678.6
6548	Undefined_Atom_Stereo_Count	1
3567443	Mono_Isotopic_Weight	231.100776666
39214	XLogP3	0.4
5327159	Covalent_Unit_Count	1
12282	Undefined_Bond_Stereo_Count	0
28837	Molecular_Weight	334.1
11480420	Mono_Isotopic_Weight	112.063662883
4216	Hydrogen_Bond_Acceptor_Count	4
62551	Non-hydrogen_Atom_Count	16
10885665	Non-hydrogen_Atom_Count	35
529341	Isotope_Atom_Count	0
78979	TPSA	0
104766	Covalent_Unit_Count	1
140552347	Exact_Mass	111.043261792
9420	Defined_Atom_Stereo_Count	0
72790	Defined_Bond_Stereo_Count	0
61691030	Rotatable_Bond_Count	2
6418	Rotatable_Bond_Count	1
12257272	Rotatable_Bond_Count	1
104973	Covalent_Unit_Count	1
139171223	Rotatable_Bond_Count	5
17705	Covalent_Unit_Count	1
66687596	Undefined_Atom_Stereo_Count	0
73889	Structure_Complexity	397
3219	Undefined_Bond_Stereo_Count	0
67636	TPSA	62.8
136502787	Defined_Atom_Stereo_Count	0
4695	Total_Formal_Charge	1
66260	Isotope_Atom_Count	0
8492	Molecular_Weight	172.57
13601826	Undefined_Atom_Stereo_Count	1
69975	Defined_Atom_Stereo_Count	0
66110	Structure_Complexity	28.4
79156	Non-hydrogen_Atom_Count	7
16197725	Undefined_Atom_Stereo_Count	0
2092	Defined_Bond_Stereo_Count	0
61691030	Hydrogen_Bond_Acceptor_Count	2
12708563	Mono_Isotopic_Weight	114.104465066
88153493	Hydrogen_Bond_Donor_Count	2
2803172	Exact_Mass	223.08579531
15123308	Undefined_Bond_Stereo_Count	0
16743818	Hydrogen_Bond_Acceptor_Count	2
25670	Structure_Complexity	206
36858	Tautomer_Count	1
919	Non-hydrogen_Atom_Count	16
6426773	Molecular_Weight	612.8
53734126	TPSA	55.1
5305	Exact_Mass	390.230728204
526950	Molecular_Weight	110.11
19494	Structure_Complexity	84.1
9871212	Rotatable_Bond_Count	12
21845248	Covalent_Unit_Count	1
2082	Isotope_Atom_Count	0
142798	Structure_Complexity	112
37183	Exact_Mass	46.016712692
56634286	Rotatable_Bond_Count	3
135476770	Defined_Bond_Stereo_Count	0
60196328	Tautomer_Count	1
11550004	Undefined_Bond_Stereo_Count	0
109014	Undefined_Bond_Stereo_Count	0
340026	Hydrogen_Bond_Donor_Count	1
69319	TPSA	14.4
81818	Covalent_Unit_Count	1
12774540	Molecular_Weight	98.14
252163	Defined_Atom_Stereo_Count	0
3081386	Rotatable_Bond_Count	11
7221	Mono_Isotopic_Weight	134.01902136
57484773	Hydrogen_Bond_Donor_Count	0
970648	Total_Formal_Charge	0
94744	Molecular_Weight	117.15
168884	Exact_Mass	471.16343
58468	Rotatable_Bond_Count	9
146367450	Molecular_Weight	284.35
53319417	Hydrogen_Bond_Acceptor_Count	5
411817	Mono_Isotopic_Weight	282.1498911
58093	Defined_Bond_Stereo_Count	0
24180680	Isotope_Atom_Count	0
9879302	Defined_Bond_Stereo_Count	0
19819	Molecular_Weight	297.13
5352621	Molecular_Weight	277.4
28961	Rotatable_Bond_Count	0
55285553	Covalent_Unit_Count	1
436482	Molecular_Weight	193.28
71343993	Structure_Complexity	79.8
21545139	Defined_Atom_Stereo_Count	0
136055781	Covalent_Unit_Count	1
59703148	Structure_Complexity	64.7
57229116	Undefined_Bond_Stereo_Count	0
35360	Non-hydrogen_Atom_Count	12
442941	Undefined_Atom_Stereo_Count	0
24972597	Rotatable_Bond_Count	1
11745116	Non-hydrogen_Atom_Count	12
73185506	Isotope_Atom_Count	0
55004	Rotatable_Bond_Count	0
11116296	Covalent_Unit_Count	1
164700	TPSA	32.3
97171	Undefined_Bond_Stereo_Count	0
11519070	Mono_Isotopic_Weight	428.258954327
9098	Mono_Isotopic_Weight	172.09218630
15110004	Rotatable_Bond_Count	4
18718394	Hydrogen_Bond_Donor_Count	0
656823	Isotope_Atom_Count	0
51763	Defined_Bond_Stereo_Count	0
520682	Rotatable_Bond_Count	2
22378	Rotatable_Bond_Count	6
160368576	Exact_Mass	114.02900871
24066917	Exact_Mass	223.157228913
17778639	Non-hydrogen_Atom_Count	6
49766037	Mono_Isotopic_Weight	111.068413911
4117	Structure_Complexity	138
533933	TPSA	78.4
5310957	Covalent_Unit_Count	1
77569	Mono_Isotopic_Weight	214.95819
62080	Undefined_Bond_Stereo_Count	0
4284331	Isotope_Atom_Count	0
6918282	Molecular_Weight	489.0
91473751	Undefined_Bond_Stereo_Count	0
59539	Covalent_Unit_Count	1
36094	Covalent_Unit_Count	2
20056828	Rotatable_Bond_Count	6
3400	Hydrogen_Bond_Donor_Count	0
10429215	Hydrogen_Bond_Acceptor_Count	4
1960	Isotope_Atom_Count	0
53387035	Defined_Bond_Stereo_Count	0
11672764	Hydrogen_Bond_Acceptor_Count	6
5284378	Rotatable_Bond_Count	4
119101	Undefined_Atom_Stereo_Count	0
12248556	Rotatable_Bond_Count	4
6477186	Mono_Isotopic_Weight	534.17261902
5355751	Tautomer_Count	8
6537503	XLogP3-AA	0.8
130804992	Total_Formal_Charge	0
10197625	Structure_Complexity	30.7
22502	Hydrogen_Bond_Donor_Count	4
6672	Structure_Complexity	143
2728270	Non-hydrogen_Atom_Count	24
5889665	Total_Formal_Charge	0
58970	Total_Formal_Charge	0
10920463	Isotope_Atom_Count	0
20681276	Structure_Complexity	107
20239	Structure_Complexity	103
12336279	Defined_Atom_Stereo_Count	0
486543	Exact_Mass	589.32239674
883785	Defined_Bond_Stereo_Count	0
12375523	Undefined_Bond_Stereo_Count	0
67320864	Isotope_Atom_Count	0
537877	Hydrogen_Bond_Acceptor_Count	1
129009962	Hydrogen_Bond_Acceptor_Count	28
30175	Isotope_Atom_Count	0
24453	Covalent_Unit_Count	1
54422686	Structure_Complexity	55.7
14107712	Undefined_Bond_Stereo_Count	0
12059922	Exact_Mass	255.04840
9472	Undefined_Bond_Stereo_Count	0
74764658	Non-hydrogen_Atom_Count	26
447534	Defined_Bond_Stereo_Count	0
75477	Exact_Mass	230.15180918
5360460	Covalent_Unit_Count	1
189562	Undefined_Atom_Stereo_Count	0
129866077	Covalent_Unit_Count	1
11001426	Undefined_Bond_Stereo_Count	0
69946325	Isotope_Atom_Count	0
10192563	Defined_Bond_Stereo_Count	0
75005	Non-hydrogen_Atom_Count	10
101875160	Structure_Complexity	71.4
91116427	Undefined_Atom_Stereo_Count	0
3482402	Total_Formal_Charge	0
60196398	Exact_Mass	676.30296691
14236	Undefined_Bond_Stereo_Count	0
53434235	Defined_Atom_Stereo_Count	0
15942892	TPSA	156
8256	Hydrogen_Bond_Donor_Count	0
135421392	Undefined_Bond_Stereo_Count	0
21264914	Hydrogen_Bond_Donor_Count	1
4484	Hydrogen_Bond_Donor_Count	4
564864	Rotatable_Bond_Count	2
90942710	Total_Formal_Charge	0
12614	Molecular_Weight	108.18
141429324	TPSA	21.9
59757974	Defined_Atom_Stereo_Count	0
4962	XLogP3-AA	0.7
29373	TPSA	37.3
10219	TPSA	52.2
24762228	Undefined_Bond_Stereo_Count	0
23679441	Undefined_Atom_Stereo_Count	0
12545984	TPSA	21.3
3649	Defined_Atom_Stereo_Count	0
11701673	Mono_Isotopic_Weight	263.956853
56646651	Non-hydrogen_Atom_Count	26
12515628	Covalent_Unit_Count	1
163872483	Undefined_Bond_Stereo_Count	0
5330213	Hydrogen_Bond_Donor_Count	1
26880	Covalent_Unit_Count	1
847429	Molecular_Weight	338.8
10407447	Isotope_Atom_Count	0
6918283	TPSA	239
76973265	Undefined_Bond_Stereo_Count	0
62475	Molecular_Weight	120.19
15109	Covalent_Unit_Count	1
6539020	Undefined_Atom_Stereo_Count	0
107280	Hydrogen_Bond_Donor_Count	0
76415	Total_Formal_Charge	0
16052038	Mono_Isotopic_Weight	698.3862143
518605	Non-hydrogen_Atom_Count	10
78486	Undefined_Bond_Stereo_Count	0
5460700	Defined_Bond_Stereo_Count	0
82938	Hydrogen_Bond_Donor_Count	0
13057924	Rotatable_Bond_Count	0
13050	Defined_Atom_Stereo_Count	0
10129921	Mono_Isotopic_Weight	111.068413911
79535	Isotope_Atom_Count	0
730852	Defined_Bond_Stereo_Count	0
19910037	Structure_Complexity	81.8
68129	Mono_Isotopic_Weight	112.016043985
90771306	Undefined_Bond_Stereo_Count	0
5463	Mono_Isotopic_Weight	322.05660244
19823	Non-hydrogen_Atom_Count	33
524213	Defined_Bond_Stereo_Count	0
10246418	Isotope_Atom_Count	0
74255	TPSA	134
5248607	Non-hydrogen_Atom_Count	7
29029	Defined_Atom_Stereo_Count	7
10785	Defined_Atom_Stereo_Count	0
289085	TPSA	108
6168	Defined_Bond_Stereo_Count	0
20590622	Defined_Bond_Stereo_Count	0
10953432	XLogP3-AA	0.6
21893797	XLogP3-AA	0.8
5216	TPSA	62.7
53629499	Exact_Mass	110.084398327
71248	Defined_Atom_Stereo_Count	0
20230230	Non-hydrogen_Atom_Count	8
63397	Tautomer_Count	1
89349947	Non-hydrogen_Atom_Count	8
140734	XLogP3-AA	1.2
2496	Tautomer_Count	2
24758983	Molecular_Weight	420.4
10554	Mono_Isotopic_Weight	92.0392780
73425380	Covalent_Unit_Count	1
99748	Defined_Atom_Stereo_Count	0
123920	Covalent_Unit_Count	1
18185988	Mono_Isotopic_Weight	84.057514874
16473	Undefined_Atom_Stereo_Count	0
5485220	Defined_Atom_Stereo_Count	1
9884817	Undefined_Bond_Stereo_Count	0
12550	Hydrogen_Bond_Donor_Count	3
11415	Molecular_Weight	282.90
26375	Hydrogen_Bond_Donor_Count	0
139059561	Hydrogen_Bond_Acceptor_Count	6
68503	Covalent_Unit_Count	1
12943708	Hydrogen_Bond_Acceptor_Count	1
89274700	Total_Formal_Charge	0
33474	XLogP3-AA	1.8
919	Total_Formal_Charge	0
56669107	XLogP3-AA	1
163488608	Isotope_Atom_Count	0
88861581	Exact_Mass	110.073164938
74651	Defined_Bond_Stereo_Count	0
6604042	Undefined_Bond_Stereo_Count	0
81226	Defined_Atom_Stereo_Count	0
3678	Structure_Complexity	214
1149	Non-hydrogen_Atom_Count	48
45085139	Total_Formal_Charge	0
2274	Undefined_Atom_Stereo_Count	2
48362	XLogP3-AA	3.2
916113	Defined_Atom_Stereo_Count	0
13620760	Molecular_Weight	126.08
1993	Hydrogen_Bond_Acceptor_Count	2
4581	Exact_Mass	153.078978594
11275562	Hydrogen_Bond_Acceptor_Count	9
10796238	Exact_Mass	1095.46702979
62870	Molecular_Weight	384.5
22530	Structure_Complexity	350
100016	Defined_Atom_Stereo_Count	4
2020	Molecular_Weight	385.5
132236745	Covalent_Unit_Count	1
96522	Rotatable_Bond_Count	1
23368	Total_Formal_Charge	0
461279	Rotatable_Bond_Count	6
71591488	Rotatable_Bond_Count	0
21584531	Non-hydrogen_Atom_Count	5
165704207	Rotatable_Bond_Count	0
19877808	Undefined_Bond_Stereo_Count	0
13388558	Mono_Isotopic_Weight	310.0212875
666673	Defined_Bond_Stereo_Count	0
969462	Undefined_Bond_Stereo_Count	0
57055230	Exact_Mass	103.063328530
91666323	Exact_Mass	216.02459690
92155	Molecular_Weight	410.7
23409	Undefined_Bond_Stereo_Count	0
62576	Hydrogen_Bond_Donor_Count	0
499953	Covalent_Unit_Count	1
649153	Molecular_Weight	455.5
8305	Hydrogen_Bond_Donor_Count	0
20670051	Molecular_Weight	318.8
62960	Defined_Atom_Stereo_Count	2
7048634	Rotatable_Bond_Count	6
16757820	Undefined_Atom_Stereo_Count	1
6976	Undefined_Bond_Stereo_Count	0
10997483	Mono_Isotopic_Weight	171.068413911
55802	Non-hydrogen_Atom_Count	16
3393	Non-hydrogen_Atom_Count	27
90761	Undefined_Bond_Stereo_Count	0
31193	Exact_Mass	113.903365
101987	Rotatable_Bond_Count	4
13432441	Undefined_Atom_Stereo_Count	1
9870843	Defined_Atom_Stereo_Count	2
5032	Total_Formal_Charge	0
147522	Exact_Mass	80.05019218
11479128	Undefined_Atom_Stereo_Count	0
11263492	Defined_Bond_Stereo_Count	0
239041	Rotatable_Bond_Count	0
13603	Covalent_Unit_Count	1
68547	Isotope_Atom_Count	0
90297	Defined_Atom_Stereo_Count	0
60196402	Hydrogen_Bond_Donor_Count	2
13445099	Rotatable_Bond_Count	4
8053	Undefined_Bond_Stereo_Count	0
98097	Hydrogen_Bond_Donor_Count	0
6739	Non-hydrogen_Atom_Count	11
9985155	Hydrogen_Bond_Donor_Count	0
357	Exact_Mass	217.903761
11152667	XLogP3-AA	2.3
10130270	Non-hydrogen_Atom_Count	14
45073445	Structure_Complexity	545
27016	Exact_Mass	283.157228913
102601142	Total_Formal_Charge	0
12374	Hydrogen_Bond_Acceptor_Count	2
23783	Non-hydrogen_Atom_Count	24
20690188	XLogP3-AA	2
9007	Rotatable_Bond_Count	1
11234806	TPSA	84.1
5527	Isotope_Atom_Count	0
148135776	Structure_Complexity	121
71681473	Isotope_Atom_Count	0
7252	Covalent_Unit_Count	1
23073857	Defined_Bond_Stereo_Count	0
67330085	Isotope_Atom_Count	0
59703148	Rotatable_Bond_Count	1
9604	Hydrogen_Bond_Donor_Count	0
54130	Rotatable_Bond_Count	5
117709	Molecular_Weight	151.16
6435397	Defined_Atom_Stereo_Count	0
105146	Non-hydrogen_Atom_Count	1
91298633	Undefined_Bond_Stereo_Count	0
55284178	Hydrogen_Bond_Acceptor_Count	4
139612467	Molecular_Weight	100.12
13595226	Defined_Bond_Stereo_Count	0
7294	Undefined_Atom_Stereo_Count	0
45358014	Total_Formal_Charge	0
59968312	Hydrogen_Bond_Donor_Count	0
57587000	Structure_Complexity	84.5
139256539	Undefined_Bond_Stereo_Count	0
12463393	Hydrogen_Bond_Donor_Count	2
100930731	Hydrogen_Bond_Donor_Count	0
12309520	Rotatable_Bond_Count	4
14527402	Molecular_Weight	114.19
169952	Undefined_Bond_Stereo_Count	0
668624	Structure_Complexity	396
11240435	Total_Formal_Charge	0
57465876	Exact_Mass	98.060588879
21675633	TPSA	9.2
119583	Exact_Mass	613.1838501
139190714	Undefined_Atom_Stereo_Count	0
126970904	Non-hydrogen_Atom_Count	8
16749605	Rotatable_Bond_Count	11
11899	Hydrogen_Bond_Acceptor_Count	2
140269	TPSA	0
21579161	Non-hydrogen_Atom_Count	31
138125	Exact_Mass	84.093900383
62943	Exact_Mass	187.0763918
12184591	TPSA	94.8
27284	Structure_Complexity	0
5328793	Undefined_Atom_Stereo_Count	0
85670850	Defined_Atom_Stereo_Count	0
10335364	Total_Formal_Charge	0
449107	Covalent_Unit_Count	1
78644	Defined_Atom_Stereo_Count	0
16422	Total_Formal_Charge	0
9723	Hydrogen_Bond_Donor_Count	2
16329	Mono_Isotopic_Weight	231.98876
72200110	Defined_Atom_Stereo_Count	0
139977	Undefined_Bond_Stereo_Count	0
3009363	Covalent_Unit_Count	1
1672	Total_Formal_Charge	0
11052038	Non-hydrogen_Atom_Count	6
87155	Rotatable_Bond_Count	3
44277532	Covalent_Unit_Count	1
22833326	Isotope_Atom_Count	0
10496	Exact_Mass	192.04225873
13991585	Exact_Mass	718.15338487
70003	Exact_Mass	160.088815002
19606817	Exact_Mass	96.057514874
638228	XLogP3-AA	3.6
101250074	TPSA	118
17599	Rotatable_Bond_Count	0
194647	Hydrogen_Bond_Donor_Count	8
20695916	Rotatable_Bond_Count	1
14805639	XLogP3-AA	1.6
74448	Hydrogen_Bond_Donor_Count	0
43184	Total_Formal_Charge	0
4873	Structure_Complexity	2
147089	Non-hydrogen_Atom_Count	17
135409347	Total_Formal_Charge	0
12647151	Exact_Mass	132.04225873
136171075	Defined_Atom_Stereo_Count	4
2724682	Isotope_Atom_Count	0
46196517	XLogP3-AA	3.8
23305129	Rotatable_Bond_Count	13
15131492	TPSA	79.7
6474640	Isotope_Atom_Count	0
71209	Defined_Bond_Stereo_Count	0
15456	Molecular_Weight	275.28
3034023	Total_Formal_Charge	0
14911569	Defined_Atom_Stereo_Count	0
14344952	Molecular_Weight	112.13
54493752	Covalent_Unit_Count	1
10942665	Undefined_Atom_Stereo_Count	0
11083834	Defined_Bond_Stereo_Count	0
446317	Covalent_Unit_Count	1
11700696	Molecular_Weight	851.4
90571	Hydrogen_Bond_Acceptor_Count	3
3033867	Defined_Atom_Stereo_Count	4
70509	Exact_Mass	217.93787
138106574	XLogP3-AA	2.1
80396	Total_Formal_Charge	0
29093	Covalent_Unit_Count	1
225710	Undefined_Atom_Stereo_Count	1
28794	Isotope_Atom_Count	0
57641	Hydrogen_Bond_Acceptor_Count	3
47471	Mono_Isotopic_Weight	473.013446
23688359	TPSA	197
16134395	Total_Formal_Charge	0
9967055	Molecular_Weight	324.4
4796	Hydrogen_Bond_Donor_Count	7
13165	Defined_Bond_Stereo_Count	0
133059	Covalent_Unit_Count	2
5280980	TPSA	87.1
135410702	Mono_Isotopic_Weight	471.15024603
10197650	Structure_Complexity	11.1
74663	Defined_Bond_Stereo_Count	0
10496498	Tautomer_Count	1
135412163	TPSA	83.8
58890069	Undefined_Bond_Stereo_Count	0
12431582	XLogP3-AA	1.6
126969108	Undefined_Atom_Stereo_Count	10
12389634	Undefined_Bond_Stereo_Count	0
12936897	Covalent_Unit_Count	1
737374	TPSA	70.1
119058	Defined_Bond_Stereo_Count	0
66000	XLogP3-AA	1.5
533866	Structure_Complexity	37.1
86453	Molecular_Weight	429.8
15643399	Molecular_Weight	98.19
85573191	Hydrogen_Bond_Acceptor_Count	2
489	Defined_Atom_Stereo_Count	0
153	Total_Formal_Charge	0
79088	Undefined_Atom_Stereo_Count	0
1140	Hydrogen_Bond_Acceptor_Count	0
23675242	Covalent_Unit_Count	2
5189	Undefined_Atom_Stereo_Count	0
54581904	TPSA	34.2
7252	Rotatable_Bond_Count	0
13158036	Exact_Mass	97.089149355
124427926	Molecular_Weight	342.30
5924208	Exact_Mass	520.79460
6506221	Mono_Isotopic_Weight	236.214015512
154461366	Structure_Complexity	122
258	Non-hydrogen_Atom_Count	30
15679	Non-hydrogen_Atom_Count	19
10938769	Molecular_Weight	422.9
64120439	Isotope_Atom_Count	0
69370	Non-hydrogen_Atom_Count	8
4692	Molecular_Weight	248.32
1805	Tautomer_Count	3
184495	Tautomer_Count	3
63610	Defined_Atom_Stereo_Count	0
90613	Mono_Isotopic_Weight	247.12398469
130124970	Structure_Complexity	110
2733531	Structure_Complexity	681
87391	Defined_Bond_Stereo_Count	0
9205	Non-hydrogen_Atom_Count	13
1451	Undefined_Bond_Stereo_Count	0
85983	Total_Formal_Charge	0
44567678	Covalent_Unit_Count	1
86220885	XLogP3-AA	0.5
144440	Undefined_Atom_Stereo_Count	1
57267	Molecular_Weight	340.8
53883934	Isotope_Atom_Count	0
20387237	Undefined_Bond_Stereo_Count	0
59771	Total_Formal_Charge	0
12630477	Isotope_Atom_Count	0
44571187	Isotope_Atom_Count	0
15670683	Molecular_Weight	87.12
136871	Defined_Atom_Stereo_Count	0
87367	Exact_Mass	293.16584950
124080868	Total_Formal_Charge	0
23718384	Structure_Complexity	477
44586930	Molecular_Weight	275.31
14818447	Defined_Atom_Stereo_Count	0
5460326	Mono_Isotopic_Weight	205.03569700
193214	Defined_Atom_Stereo_Count	0
132992789	Structure_Complexity	102
80293	Defined_Bond_Stereo_Count	0
20797	Covalent_Unit_Count	1
145359725	Defined_Bond_Stereo_Count	0
24181320	Isotope_Atom_Count	0
13976559	TPSA	38.7
11698194	Hydrogen_Bond_Donor_Count	2
71439018	Covalent_Unit_Count	4
130804	Rotatable_Bond_Count	8
13258395	Undefined_Bond_Stereo_Count	0
15376592	Undefined_Bond_Stereo_Count	0
84647683	Undefined_Atom_Stereo_Count	0
16095400	Defined_Atom_Stereo_Count	0
3734	Structure_Complexity	583
4339626	Total_Formal_Charge	0
54316	Tautomer_Count	1
19944	Hydrogen_Bond_Donor_Count	0
17310	XLogP3-AA	1.8
133741	Molecular_Weight	276.37
18601660	Isotope_Atom_Count	0
161930	Molecular_Weight	311.29
9794159	Defined_Bond_Stereo_Count	0
10219396	Hydrogen_Bond_Acceptor_Count	2
14714336	Non-hydrogen_Atom_Count	8
10076625	Defined_Bond_Stereo_Count	0
86399	Structure_Complexity	191
3718	Non-hydrogen_Atom_Count	21
6918537	Mono_Isotopic_Weight	303.19467705
4195974	Rotatable_Bond_Count	2
11073538	Defined_Bond_Stereo_Count	0
556684	Undefined_Atom_Stereo_Count	0
9297	Total_Formal_Charge	0
25113157	Defined_Atom_Stereo_Count	2
457928	Isotope_Atom_Count	0
94508	Mono_Isotopic_Weight	180.06472551
6328685	Undefined_Atom_Stereo_Count	0
64402	Tautomer_Count	1
65667	Total_Formal_Charge	0
102856	Total_Formal_Charge	0
12813	TPSA	26.3
10116556	Isotope_Atom_Count	0
216247	Covalent_Unit_Count	1
108850	Rotatable_Bond_Count	1
11	Total_Formal_Charge	0
102402827	Defined_Atom_Stereo_Count	9
257950	Undefined_Atom_Stereo_Count	0
21650900	Undefined_Atom_Stereo_Count	0
513955	Hydrogen_Bond_Donor_Count	4
12343	Undefined_Atom_Stereo_Count	0
802074	XLogP3-AA	4.8
71072040	TPSA	53
12919209	XLogP3-AA	0.5
6002	Defined_Atom_Stereo_Count	0
71668	Hydrogen_Bond_Acceptor_Count	2
3413668	TPSA	40.5
91595261	Undefined_Atom_Stereo_Count	0
12547675	TPSA	26
15073	Isotope_Atom_Count	0
22315763	Undefined_Atom_Stereo_Count	0
984355	Total_Formal_Charge	0
72765870	Hydrogen_Bond_Donor_Count	0
54582513	Hydrogen_Bond_Acceptor_Count	2
6054	Defined_Bond_Stereo_Count	0
131966764	Isotope_Atom_Count	0
25001002	Rotatable_Bond_Count	12
45488110	Defined_Bond_Stereo_Count	0
5281888	Defined_Atom_Stereo_Count	0
4302	Mono_Isotopic_Weight	233.03242232
10444413	Undefined_Atom_Stereo_Count	0
10579	Defined_Bond_Stereo_Count	0
19437571	Non-hydrogen_Atom_Count	8
80528	Defined_Bond_Stereo_Count	0
95946	Hydrogen_Bond_Donor_Count	2
111206	Structure_Complexity	55
56955181	Mono_Isotopic_Weight	350.178298710
9909684	Undefined_Atom_Stereo_Count	0
11396	Exact_Mass	156.093900383
715568	Non-hydrogen_Atom_Count	24
66072	Undefined_Atom_Stereo_Count	0
138393806	Covalent_Unit_Count	1
57396865	Exact_Mass	360.18492083
63333521	Defined_Bond_Stereo_Count	0
110821	Hydrogen_Bond_Acceptor_Count	1
163775008	Defined_Bond_Stereo_Count	5
9925873	TPSA	50.7
8454	Undefined_Atom_Stereo_Count	0
15715874	TPSA	52
5287468	Non-hydrogen_Atom_Count	37
439243	Covalent_Unit_Count	7
57399672	Covalent_Unit_Count	1
16406	Non-hydrogen_Atom_Count	23
45972	Hydrogen_Bond_Acceptor_Count	2
162117	Total_Formal_Charge	0
45117282	Isotope_Atom_Count	0
5280794	Rotatable_Bond_Count	5
650201	Molecular_Weight	395.5
76519	Hydrogen_Bond_Donor_Count	1
11514319	Molecular_Weight	249.26
11611	Total_Formal_Charge	0
61120	Rotatable_Bond_Count	4
11971580	Covalent_Unit_Count	1
3209	Hydrogen_Bond_Donor_Count	1
44350128	XLogP3-AA	1.5
91809622	Structure_Complexity	474
71587119	Structure_Complexity	165
7959	Defined_Atom_Stereo_Count	0
5289320	Mono_Isotopic_Weight	387.17289623
444913	Non-hydrogen_Atom_Count	66
49756	Hydrogen_Bond_Acceptor_Count	2
5362391	Rotatable_Bond_Count	8
8482	Total_Formal_Charge	0
9579252	Undefined_Atom_Stereo_Count	0
71308696	Defined_Bond_Stereo_Count	0
121515	Non-hydrogen_Atom_Count	24
2132	Hydrogen_Bond_Donor_Count	3
600	Isotope_Atom_Count	0
12508258	Total_Formal_Charge	0
10061	Hydrogen_Bond_Acceptor_Count	4
154731141	Covalent_Unit_Count	2
12415356	XLogP3-AA	0
77753	Undefined_Atom_Stereo_Count	0
516892	Isotope_Atom_Count	0
78931	Total_Formal_Charge	0
26318	Hydrogen_Bond_Acceptor_Count	0
91100506	Exact_Mass	98.011627311
57750364	Non-hydrogen_Atom_Count	32
4560140	Covalent_Unit_Count	1
18798529	Structure_Complexity	94.2
92174	Total_Formal_Charge	0
22676885	Total_Formal_Charge	0
5281227	Hydrogen_Bond_Acceptor_Count	2
154474669	Non-hydrogen_Atom_Count	7
12367598	TPSA	37.3
18324177	Defined_Atom_Stereo_Count	0
27903	Total_Formal_Charge	0
68943	Molecular_Weight	291.4
10127622	TPSA	88.4
243	Molecular_Weight	122.12
339	Defined_Bond_Stereo_Count	0
69301023	Hydrogen_Bond_Acceptor_Count	11
18985	Total_Formal_Charge	0
90192	Mono_Isotopic_Weight	534.17951205
10435654	Non-hydrogen_Atom_Count	32
93189	Mono_Isotopic_Weight	178.135765193
3417419	Undefined_Atom_Stereo_Count	0
57238241	XLogP3-AA	2
11418570	Tautomer_Count	1
8212	Molecular_Weight	302.9
5905	Hydrogen_Bond_Acceptor_Count	5
81426	Rotatable_Bond_Count	6
14909256	Covalent_Unit_Count	1
135409471	Defined_Bond_Stereo_Count	0
15230353	Isotope_Atom_Count	0
107871	Mono_Isotopic_Weight	181.9537494
15927	Mono_Isotopic_Weight	186.99966
136266076	Hydrogen_Bond_Acceptor_Count	4
150718	Exact_Mass	292.121177757
16620	Mono_Isotopic_Weight	109.089149355
71322980	Undefined_Atom_Stereo_Count	0
91151945	Hydrogen_Bond_Acceptor_Count	11
23087774	Structure_Complexity	99.1
87485	Isotope_Atom_Count	0
154562176	Total_Formal_Charge	0
89578803	Rotatable_Bond_Count	0
6433892	Total_Formal_Charge	0
636857	XLogP3-AA	3.1
141365	Hydrogen_Bond_Donor_Count	1
18545678	Undefined_Atom_Stereo_Count	1
21932803	Defined_Bond_Stereo_Count	0
32040	Covalent_Unit_Count	1
2827646	TPSA	61.7
18002315	Isotope_Atom_Count	0
21713286	Non-hydrogen_Atom_Count	7
5318537	Hydrogen_Bond_Acceptor_Count	10
3776755	Rotatable_Bond_Count	0
643790	Hydrogen_Bond_Acceptor_Count	2
70783	Undefined_Bond_Stereo_Count	0
66684	Structure_Complexity	383
817	Molecular_Weight	238.19
20056950	Mono_Isotopic_Weight	440.16000488
117	Hydrogen_Bond_Donor_Count	3
3032306	Defined_Bond_Stereo_Count	0
16072155	Mono_Isotopic_Weight	582.3085169
9596	Covalent_Unit_Count	1
12331	Structure_Complexity	41.7
136115428	Defined_Bond_Stereo_Count	0
8888	Hydrogen_Bond_Acceptor_Count	1
566032	Non-hydrogen_Atom_Count	12
124723	Hydrogen_Bond_Acceptor_Count	3
444455	Covalent_Unit_Count	1
102032439	TPSA	68.4
4025	TPSA	64.1
16376	Exact_Mass	113.022526347
10780	Tautomer_Count	1
57328385	Isotope_Atom_Count	0
70377524	Undefined_Bond_Stereo_Count	0
53232849	Molecular_Weight	99.13
11240438	Defined_Atom_Stereo_Count	0
23552407	Total_Formal_Charge	0
20054887	Defined_Atom_Stereo_Count	15
8140	Mono_Isotopic_Weight	192.05136
134688930	Hydrogen_Bond_Donor_Count	1
137090	Rotatable_Bond_Count	0
2723631	Rotatable_Bond_Count	0
11058021	Undefined_Atom_Stereo_Count	0
2097895	Undefined_Bond_Stereo_Count	0
23947	Undefined_Atom_Stereo_Count	0
2130	XLogP3	2.4
2724640	Undefined_Atom_Stereo_Count	0
56834579	Covalent_Unit_Count	1
2249	Non-hydrogen_Atom_Count	19
73948	Non-hydrogen_Atom_Count	6
18006111	Molecular_Weight	103.12
29138	Non-hydrogen_Atom_Count	26
3041255	Isotope_Atom_Count	0
6613	Mono_Isotopic_Weight	219.11067264
14784415	XLogP3-AA	0
15209694	Covalent_Unit_Count	1
56673673	XLogP3	1
90877284	Isotope_Atom_Count	0
71302984	Isotope_Atom_Count	0
3917956	Molecular_Weight	201.00
43704	Defined_Atom_Stereo_Count	0
13003788	Covalent_Unit_Count	1
1260	Non-hydrogen_Atom_Count	28
5288033	Hydrogen_Bond_Donor_Count	1
7426	Rotatable_Bond_Count	0
130918	Defined_Atom_Stereo_Count	0
156618042	TPSA	190
285657	Defined_Bond_Stereo_Count	0
82148	Mono_Isotopic_Weight	243.125928785
156434	Hydrogen_Bond_Donor_Count	2
121903	Isotope_Atom_Count	0
118971790	Isotope_Atom_Count	0
25077993	Molecular_Weight	1323.5
18669439	Molecular_Weight	99.09
24892775	Covalent_Unit_Count	1
135837103	XLogP3-AA	0.1
1078	Tautomer_Count	3
21138	Molecular_Weight	259.34
24284832	Mono_Isotopic_Weight	115.063328530
7494	Exact_Mass	167.058243149
233979	Hydrogen_Bond_Acceptor_Count	2
86380	Defined_Atom_Stereo_Count	0
32503	Structure_Complexity	169
18521	Covalent_Unit_Count	1
45359105	Defined_Atom_Stereo_Count	0
57401151	Total_Formal_Charge	0
159924	Structure_Complexity	26.8
14256301	Hydrogen_Bond_Acceptor_Count	3
119525	Defined_Atom_Stereo_Count	0
12200749	Covalent_Unit_Count	1
84063191	Covalent_Unit_Count	1
4201	Undefined_Atom_Stereo_Count	0
518872	Tautomer_Count	1
452245	Defined_Bond_Stereo_Count	0
59874134	Molecular_Weight	98.14
91751	Defined_Bond_Stereo_Count	0
87869	TPSA	213
12028	Defined_Bond_Stereo_Count	0
12743050	Structure_Complexity	121
636399	Undefined_Atom_Stereo_Count	1
18597	Mono_Isotopic_Weight	150.104465066
11417567	Total_Formal_Charge	0
13568	Defined_Bond_Stereo_Count	0
15817734	Defined_Bond_Stereo_Count	0
607248	Non-hydrogen_Atom_Count	12
72693	Defined_Bond_Stereo_Count	0
6872	Mono_Isotopic_Weight	213.078978594
124918602	Isotope_Atom_Count	0
90750	Exact_Mass	291.173547683
89800161	Rotatable_Bond_Count	15
855860	Defined_Bond_Stereo_Count	0
21547072	XLogP3-AA	0.9
126977538	Covalent_Unit_Count	1
6951525	Undefined_Atom_Stereo_Count	0
10240797	TPSA	32.8
309734	Hydrogen_Bond_Donor_Count	1
6282	Mono_Isotopic_Weight	833.60878
135411	TPSA	57.5
5310993	Undefined_Bond_Stereo_Count	0
5280492	Molecular_Weight	336.5
536683	Molecular_Weight	73.09
84041	Hydrogen_Bond_Donor_Count	1
610169	Molecular_Weight	206.47
9835868	Molecular_Weight	297.5
57197748	Mono_Isotopic_Weight	180.06338810
454216	Undefined_Bond_Stereo_Count	0
480953	Non-hydrogen_Atom_Count	36
300	Defined_Bond_Stereo_Count	0
9170	Molecular_Weight	228.3
56682312	Structure_Complexity	718
2773621	Covalent_Unit_Count	1
22304	Covalent_Unit_Count	2
38771	Structure_Complexity	175
446320	Tautomer_Count	3
751	Hydrogen_Bond_Acceptor_Count	3
72871	Defined_Atom_Stereo_Count	0
23662264	TPSA	23.1
11423563	TPSA	32.3
3073763	TPSA	24.9
54227233	Defined_Bond_Stereo_Count	0
75598	Isotope_Atom_Count	0
17159	Hydrogen_Bond_Donor_Count	0
2724118	Molecular_Weight	282.1
129010082	Molecular_Weight	905.0
12253800	Molecular_Weight	116.16
152109	Isotope_Atom_Count	0
60452	Molecular_Weight	338.4
5879	Structure_Complexity	459
695356	TPSA	51.5
72210	Defined_Atom_Stereo_Count	3
6918077	Non-hydrogen_Atom_Count	22
9954944	Hydrogen_Bond_Acceptor_Count	11
9806063	Covalent_Unit_Count	4
505	Mono_Isotopic_Weight	354.05766507
70652	Rotatable_Bond_Count	4
57336812	Rotatable_Bond_Count	5
88793951	Isotope_Atom_Count	0
22082840	Covalent_Unit_Count	1
444200	Exact_Mass	164.06847348
31255	Defined_Atom_Stereo_Count	0
10004622	XLogP3-AA	5.9
26081	Covalent_Unit_Count	1
11181836	Hydrogen_Bond_Donor_Count	0
5284614	Defined_Atom_Stereo_Count	0
134008	Defined_Bond_Stereo_Count	0
9303	TPSA	118
681133	Non-hydrogen_Atom_Count	22
9958278	Exact_Mass	519.13517331
10249057	Isotope_Atom_Count	0
89143818	Isotope_Atom_Count	0
10446567	XLogP3-AA	2.9
54581861	Rotatable_Bond_Count	6
121489349	Hydrogen_Bond_Acceptor_Count	31
52948174	Structure_Complexity	709
3855171	Mono_Isotopic_Weight	246.96609661
67271	Exact_Mass	456.09662023
162636	Structure_Complexity	153
134688154	Isotope_Atom_Count	0
24812	Isotope_Atom_Count	0
447634	Isotope_Atom_Count	0
51017507	Structure_Complexity	2330
57992030	Undefined_Atom_Stereo_Count	0
634470	Rotatable_Bond_Count	4
6426660	Hydrogen_Bond_Acceptor_Count	4
21343371	Molecular_Weight	84.12
393405	Defined_Bond_Stereo_Count	0
97616695	Undefined_Atom_Stereo_Count	0
447360	Rotatable_Bond_Count	5
7839	Rotatable_Bond_Count	1
3085168	Exact_Mass	562.21444394
69540411	Mono_Isotopic_Weight	586.3546303
2723715	Defined_Atom_Stereo_Count	0
15950005	Molecular_Weight	389.5
67781	Rotatable_Bond_Count	0
11313946	TPSA	125
9989023	Defined_Atom_Stereo_Count	6
121207424	Isotope_Atom_Count	0
524217	TPSA	9.2
476	Hydrogen_Bond_Acceptor_Count	7
16758827	Hydrogen_Bond_Donor_Count	4
91557	Undefined_Atom_Stereo_Count	0
25240297	Covalent_Unit_Count	1
54697325	Defined_Atom_Stereo_Count	4
139033724	Defined_Atom_Stereo_Count	31
2849	Rotatable_Bond_Count	11
11188898	Hydrogen_Bond_Acceptor_Count	6
14842942	Mono_Isotopic_Weight	202.99458
71438255	Defined_Bond_Stereo_Count	0
253602	Mono_Isotopic_Weight	265.13140809
6553	Molecular_Weight	201.89
15980171	Hydrogen_Bond_Acceptor_Count	7
19877808	Hydrogen_Bond_Acceptor_Count	2
75464	Undefined_Bond_Stereo_Count	0
55423	Undefined_Atom_Stereo_Count	0
26440	Molecular_Weight	194.27
57392493	Exact_Mass	457.25294081
77097	Rotatable_Bond_Count	4
11998	TPSA	52
61141	Hydrogen_Bond_Donor_Count	0
4175	XLogP3	5.2
147205698	Non-hydrogen_Atom_Count	7
3506	Covalent_Unit_Count	1
11702	Hydrogen_Bond_Donor_Count	1
54718618	Undefined_Bond_Stereo_Count	0
11865423	Non-hydrogen_Atom_Count	25
33498	Hydrogen_Bond_Donor_Count	2
107647	Total_Formal_Charge	0
414243	Hydrogen_Bond_Donor_Count	2
101656013	Defined_Atom_Stereo_Count	19
5464027	Tautomer_Count	3
288541	Isotope_Atom_Count	0
32777	Non-hydrogen_Atom_Count	7
6918096	Isotope_Atom_Count	0
6852393	Tautomer_Count	3
77781	Covalent_Unit_Count	1
54239709	Isotope_Atom_Count	0
23173	Structure_Complexity	204
53483390	Non-hydrogen_Atom_Count	37
14205677	Defined_Bond_Stereo_Count	0
16051969	TPSA	526
118988662	Molecular_Weight	591.1
44143571	XLogP3-AA	5.8
44577705	Non-hydrogen_Atom_Count	38
86640	Total_Formal_Charge	0
6374	Undefined_Bond_Stereo_Count	0
44195571	Hydrogen_Bond_Acceptor_Count	10
69333790	Undefined_Atom_Stereo_Count	0
98150	Defined_Bond_Stereo_Count	0
3030	XLogP3	2.2
25612	Non-hydrogen_Atom_Count	11
82711397	Rotatable_Bond_Count	1
3791	Covalent_Unit_Count	1
12619120	Total_Formal_Charge	0
139158	Rotatable_Bond_Count	0
138041	Hydrogen_Bond_Acceptor_Count	1
19070	Undefined_Atom_Stereo_Count	0
91148	Isotope_Atom_Count	0
57395975	Rotatable_Bond_Count	9
119086018	Molecular_Weight	109.09
96191	Isotope_Atom_Count	0
82191	Defined_Atom_Stereo_Count	0
3762	Undefined_Bond_Stereo_Count	0
443753	Hydrogen_Bond_Acceptor_Count	10
16473	Isotope_Atom_Count	0
12760727	Isotope_Atom_Count	0
67439664	TPSA	143
4627783	Undefined_Bond_Stereo_Count	0
20638380	Total_Formal_Charge	0
189	Hydrogen_Bond_Acceptor_Count	5
4906	Non-hydrogen_Atom_Count	16
23668516	Undefined_Bond_Stereo_Count	0
10276962	Covalent_Unit_Count	1
9927058	Undefined_Bond_Stereo_Count	0
66	Undefined_Atom_Stereo_Count	0
295763	Undefined_Bond_Stereo_Count	0
11768526	Total_Formal_Charge	0
39425	Mono_Isotopic_Weight	249.139173551
318158	Undefined_Bond_Stereo_Count	0
16050551	Exact_Mass	367.22597718
3976	Total_Formal_Charge	0
307977	Undefined_Bond_Stereo_Count	0
22754629	Non-hydrogen_Atom_Count	8
84927	Tautomer_Count	1
3045406	Molecular_Weight	317.9
21895922	Covalent_Unit_Count	1
86287410	Molecular_Weight	315.4
60159	Isotope_Atom_Count	0
6505	Total_Formal_Charge	0
675	Molecular_Weight	146.19
146683214	Total_Formal_Charge	0
2161	Isotope_Atom_Count	0
152109	Hydrogen_Bond_Acceptor_Count	11
55285	Hydrogen_Bond_Acceptor_Count	4
7735	Molecular_Weight	144.21
97597	Total_Formal_Charge	0
173058	Rotatable_Bond_Count	3
140809	Non-hydrogen_Atom_Count	7
26009888	Defined_Atom_Stereo_Count	0
143009217	Mono_Isotopic_Weight	111.068413911
5289535	Defined_Bond_Stereo_Count	0
631837	Undefined_Bond_Stereo_Count	0
9552077	Molecular_Weight	211.95
18850	Undefined_Atom_Stereo_Count	0
131843960	Defined_Atom_Stereo_Count	0
36457	Structure_Complexity	274
111727	Structure_Complexity	183
73246	Mono_Isotopic_Weight	535.17368407
452550	Hydrogen_Bond_Acceptor_Count	15
15739356	Structure_Complexity	127
448055	XLogP3-AA	2.2
54682458	Mono_Isotopic_Weight	608.17295580
22033763	Non-hydrogen_Atom_Count	7
69582	Non-hydrogen_Atom_Count	10
980806	Structure_Complexity	618
156592059	Covalent_Unit_Count	2
130142668	Structure_Complexity	81
130443213	Covalent_Unit_Count	1
6918606	Hydrogen_Bond_Acceptor_Count	13
9794126	Undefined_Atom_Stereo_Count	0
5361	Defined_Atom_Stereo_Count	0
657306	Hydrogen_Bond_Acceptor_Count	4
565391	Hydrogen_Bond_Acceptor_Count	0
70689444	Rotatable_Bond_Count	2
6035169	Covalent_Unit_Count	1
3245	Undefined_Bond_Stereo_Count	0
13350797	Exact_Mass	97.052763847
6992023	Hydrogen_Bond_Acceptor_Count	5
56202	Isotope_Atom_Count	0
3877	Tautomer_Count	3
135443389	Structure_Complexity	142
20535601	Mono_Isotopic_Weight	113.084063974
156618074	Covalent_Unit_Count	1
27119	Non-hydrogen_Atom_Count	14
414	Tautomer_Count	4
4432	Non-hydrogen_Atom_Count	31
11069	Defined_Bond_Stereo_Count	0
6918580	Covalent_Unit_Count	3
7047	Covalent_Unit_Count	1
5353635	Mono_Isotopic_Weight	324.10698424
10470544	Total_Formal_Charge	0
24636	Undefined_Atom_Stereo_Count	0
7204	Undefined_Atom_Stereo_Count	0
75444	Exact_Mass	513.2910760
205	Defined_Atom_Stereo_Count	0
65701	Exact_Mass	295.204847810
15914	Defined_Bond_Stereo_Count	0
24360	XLogP3-AA	1
89371029	Defined_Bond_Stereo_Count	0
107275	XLogP3-AA	1.6
110635	Hydrogen_Bond_Acceptor_Count	4
3018793	Covalent_Unit_Count	1
968688	XLogP3	3.5
135391044	Rotatable_Bond_Count	9
23480	Defined_Atom_Stereo_Count	0
24826799	Total_Formal_Charge	0
74080	Defined_Bond_Stereo_Count	0
137090	XLogP3-AA	1.6
5282108	Mono_Isotopic_Weight	192.151415257
88180	Isotope_Atom_Count	0
11815841	Defined_Bond_Stereo_Count	0
625295	Rotatable_Bond_Count	7
135564985	Molecular_Weight	364.4
528407	TPSA	26
15460	Hydrogen_Bond_Acceptor_Count	0
101077	Tautomer_Count	1
6364671	Isotope_Atom_Count	0
19589	Rotatable_Bond_Count	3
156615632	Hydrogen_Bond_Donor_Count	8
5225	Defined_Atom_Stereo_Count	0
9866186	Defined_Bond_Stereo_Count	1
191	Non-hydrogen_Atom_Count	19
841083	Mono_Isotopic_Weight	250.0509053
119476	Tautomer_Count	1
637978	Covalent_Unit_Count	1
21473742	Exact_Mass	107.048347172
11105310	Hydrogen_Bond_Acceptor_Count	1
522841	Hydrogen_Bond_Donor_Count	0
10197646	Undefined_Bond_Stereo_Count	0
11502243	Exact_Mass	401.0877226
136121	Defined_Bond_Stereo_Count	0
52914006	Undefined_Atom_Stereo_Count	2
256347	Defined_Bond_Stereo_Count	0
18934227	Defined_Atom_Stereo_Count	0
19988	Structure_Complexity	462
51029964	Exact_Mass	463.18894022
455041	Defined_Atom_Stereo_Count	2
6788	Defined_Bond_Stereo_Count	0
36688137	Non-hydrogen_Atom_Count	25
55289602	Hydrogen_Bond_Donor_Count	1
16183	Defined_Bond_Stereo_Count	0
12123876	TPSA	0
59184	Isotope_Atom_Count	0
69695	Defined_Bond_Stereo_Count	0
91759	Isotope_Atom_Count	0
143440	Rotatable_Bond_Count	3
178024	XLogP3-AA	1.3
11115809	Undefined_Bond_Stereo_Count	0
1517	Non-hydrogen_Atom_Count	38
441344	Undefined_Bond_Stereo_Count	0
94182	Undefined_Atom_Stereo_Count	1
40960	Isotope_Atom_Count	0
3014106	Hydrogen_Bond_Donor_Count	0
5053558	XLogP3-AA	0.1
81569	Mono_Isotopic_Weight	117.078978594
23058060	Defined_Atom_Stereo_Count	0
138471783	Rotatable_Bond_Count	3
125409	Covalent_Unit_Count	1
118994155	Isotope_Atom_Count	0
53851	Non-hydrogen_Atom_Count	23
20581047	Undefined_Atom_Stereo_Count	2
55285488	TPSA	51.2
152807	Undefined_Atom_Stereo_Count	1
16049024	Undefined_Atom_Stereo_Count	0
641496	Covalent_Unit_Count	1
296732	Rotatable_Bond_Count	2
94811	Undefined_Bond_Stereo_Count	0
142959	Molecular_Weight	116.07
267577	Non-hydrogen_Atom_Count	32
7098664	Undefined_Bond_Stereo_Count	0
10757	Rotatable_Bond_Count	2
21359608	Rotatable_Bond_Count	1
129628889	Structure_Complexity	285
135465818	Undefined_Atom_Stereo_Count	0
887830	Covalent_Unit_Count	1
91172822	XLogP3-AA	5.1
62705690	Covalent_Unit_Count	1
141319360	Undefined_Atom_Stereo_Count	0
54753	TPSA	32.3
24180824	Hydrogen_Bond_Acceptor_Count	3
2557	Defined_Atom_Stereo_Count	0
7774	Total_Formal_Charge	0
85178	Structure_Complexity	281
135398634	Hydrogen_Bond_Donor_Count	3
8368	Exact_Mass	159.9846556
6328152	Undefined_Atom_Stereo_Count	0
9609	TPSA	25.3
21484	Molecular_Weight	217.57
19004	Hydrogen_Bond_Acceptor_Count	4
54511	Tautomer_Count	2
136594	Tautomer_Count	1
6769	Molecular_Weight	666.7
16050932	Rotatable_Bond_Count	4
11829373	Undefined_Bond_Stereo_Count	0
2752648	Hydrogen_Bond_Acceptor_Count	1
10419146	Hydrogen_Bond_Acceptor_Count	1
11314197	Hydrogen_Bond_Donor_Count	1
44452442	XLogP3-AA	4.5
517985	Structure_Complexity	106
129027658	Rotatable_Bond_Count	0
11182575	Defined_Bond_Stereo_Count	0
12285871	Undefined_Bond_Stereo_Count	0
168354	Exact_Mass	134.094294304
10704662	Undefined_Atom_Stereo_Count	1
10967	Tautomer_Count	1
130349042	Undefined_Atom_Stereo_Count	0
154549233	Hydrogen_Bond_Donor_Count	0
5324278	Mono_Isotopic_Weight	87.068413911
5311346	Undefined_Atom_Stereo_Count	0
70754	Defined_Bond_Stereo_Count	0
5317319	Defined_Bond_Stereo_Count	1
44033	TPSA	16.6
6440178	XLogP3-AA	2
5379102	Total_Formal_Charge	0
25106	Defined_Atom_Stereo_Count	0
3423265	Rotatable_Bond_Count	12
166486721	TPSA	20.3
888457	Exact_Mass	341.0488569
31515	Molecular_Weight	293.08
1364	Structure_Complexity	624
16683	Exact_Mass	174.08920892
65612	Mono_Isotopic_Weight	354.17658463
25164000	Defined_Bond_Stereo_Count	0
3082131	Isotope_Atom_Count	0
31070	Tautomer_Count	2
57429842	Molecular_Weight	114.14
443311	Defined_Bond_Stereo_Count	0
9353	Hydrogen_Bond_Donor_Count	2
636398	Defined_Bond_Stereo_Count	0
9584	Mono_Isotopic_Weight	111.048427358
54224045	Structure_Complexity	40.7
67249135	Hydrogen_Bond_Donor_Count	1
676166	Defined_Bond_Stereo_Count	0
14909259	Undefined_Bond_Stereo_Count	0
1016	Defined_Atom_Stereo_Count	0
44257207	Covalent_Unit_Count	1
3037565	Undefined_Atom_Stereo_Count	0
618150	TPSA	26.3
721310	Covalent_Unit_Count	1
74861	TPSA	0
41575	Hydrogen_Bond_Donor_Count	2
1013432	TPSA	109
45380791	Hydrogen_Bond_Acceptor_Count	7
22753620	Undefined_Atom_Stereo_Count	0
6733	Mono_Isotopic_Weight	230.094294304
57424711	Hydrogen_Bond_Acceptor_Count	3
12429703	Covalent_Unit_Count	1
68094	Undefined_Bond_Stereo_Count	0
73707684	Structure_Complexity	79.8
90335493	Rotatable_Bond_Count	0
123809	Defined_Bond_Stereo_Count	0
140203	Molecular_Weight	274.44
517383	Exact_Mass	264.09736792
518733	Total_Formal_Charge	0
10800	TPSA	112
164748	Exact_Mass	155.9909149
58516110	Total_Formal_Charge	1
319771	TPSA	41.1
75220691	Defined_Bond_Stereo_Count	0
23063800	Molecular_Weight	111.15
64992	Exact_Mass	235.07053917
89359	Molecular_Weight	220.22
11030720	Exact_Mass	196.07355886
15565412	Undefined_Bond_Stereo_Count	0
28506	Non-hydrogen_Atom_Count	16
12459572	Covalent_Unit_Count	1
21584147	Covalent_Unit_Count	1
520682	Non-hydrogen_Atom_Count	7
6606	Non-hydrogen_Atom_Count	31
27712	Covalent_Unit_Count	1
4059	Covalent_Unit_Count	1
151404	TPSA	40.9
24901143	Mono_Isotopic_Weight	483.1383406
101694728	Total_Formal_Charge	0
11088	Structure_Complexity	352
3037456	XLogP3-AA	3.2
16051584	Rotatable_Bond_Count	6
9566269	Isotope_Atom_Count	0
12285856	Mono_Isotopic_Weight	181.06966484
167	Structure_Complexity	259
50997747	Hydrogen_Bond_Donor_Count	0
12393928	TPSA	50.4
53436961	Structure_Complexity	103
2453568	Molecular_Weight	184.19
146808246	Defined_Bond_Stereo_Count	0
91165609	Hydrogen_Bond_Donor_Count	1
6426924	Non-hydrogen_Atom_Count	65
2779183	Hydrogen_Bond_Acceptor_Count	1
9009	Structure_Complexity	55.7
91030322	Undefined_Bond_Stereo_Count	1
89843393	Isotope_Atom_Count	0
24848403	Mono_Isotopic_Weight	321.1971756
25318	Isotope_Atom_Count	0
71453749	Total_Formal_Charge	0
75879	Undefined_Bond_Stereo_Count	0
51935	Isotope_Atom_Count	0
88423	XLogP3	3.2
6321330	Hydrogen_Bond_Acceptor_Count	6
670580	Molecular_Weight	320.3
14120104	Total_Formal_Charge	0
87612217	Undefined_Bond_Stereo_Count	0
69089	Undefined_Atom_Stereo_Count	0
10815	Hydrogen_Bond_Donor_Count	2
68667	Defined_Bond_Stereo_Count	0
13275542	Structure_Complexity	137
16363	Isotope_Atom_Count	0
32575	Non-hydrogen_Atom_Count	21
18999023	Isotope_Atom_Count	0
14852477	Defined_Atom_Stereo_Count	0
73640	Covalent_Unit_Count	1
10285778	Covalent_Unit_Count	1
246206	Total_Formal_Charge	0
8923919	Defined_Bond_Stereo_Count	0
131535	Defined_Atom_Stereo_Count	3
67420901	Undefined_Bond_Stereo_Count	0
11962267	Non-hydrogen_Atom_Count	7
90936519	Rotatable_Bond_Count	15
154353878	Undefined_Atom_Stereo_Count	0
140211	Defined_Atom_Stereo_Count	0
413520	TPSA	3.9
15967	Molecular_Weight	277.4
28554	Defined_Atom_Stereo_Count	0
5311381	Exact_Mass	443.23212518
82650926	Total_Formal_Charge	0
5715107	Mono_Isotopic_Weight	186.079312947
68787	Total_Formal_Charge	0
18442764	Total_Formal_Charge	0
15793	Defined_Atom_Stereo_Count	0
5282315	Non-hydrogen_Atom_Count	58
11177439	Hydrogen_Bond_Donor_Count	4
68626	Mono_Isotopic_Weight	296.1291556
44631912	Molecular_Weight	434.5
4019563	TPSA	197
5476	Total_Formal_Charge	1
6917857	Total_Formal_Charge	0
16213546	Hydrogen_Bond_Acceptor_Count	6
117188816	Mono_Isotopic_Weight	113.058911855
72450871	Non-hydrogen_Atom_Count	7
108938	Rotatable_Bond_Count	1
52921770	Mono_Isotopic_Weight	296.271530387
5372	Rotatable_Bond_Count	7
20561708	TPSA	47.8
8153	Isotope_Atom_Count	0
4653	Isotope_Atom_Count	0
6950337	XLogP3	1.3
176907	Isotope_Atom_Count	0
123187306	Rotatable_Bond_Count	1
121540407	Molecular_Weight	342.30
492967	Rotatable_Bond_Count	15
69333861	Non-hydrogen_Atom_Count	7
16854	Structure_Complexity	177
133655777	Total_Formal_Charge	0
1354	Structure_Complexity	246
72323	Structure_Complexity	461
8395	Exact_Mass	324.09977361
134587348	Exact_Mass	597.23450825
15322	Isotope_Atom_Count	0
160078	Defined_Atom_Stereo_Count	0
6323336	Structure_Complexity	151
1497	Structure_Complexity	552
138440	XLogP3-AA	0.8
21324831	XLogP3-AA	1.1
18183443	Undefined_Atom_Stereo_Count	1
12508	Undefined_Bond_Stereo_Count	0
9927	Isotope_Atom_Count	0
16073666	Exact_Mass	650.20959912
5808	Rotatable_Bond_Count	4
165154847	Exact_Mass	112.052429494
900	Undefined_Atom_Stereo_Count	5
47721	TPSA	0
376	Undefined_Bond_Stereo_Count	0
129803162	Undefined_Bond_Stereo_Count	0
134613	Non-hydrogen_Atom_Count	20
10006	Tautomer_Count	8
1248527	Covalent_Unit_Count	1
26868	Molecular_Weight	535.5
104769	Isotope_Atom_Count	0
76376	Total_Formal_Charge	1
25887	Isotope_Atom_Count	0
86210061	Structure_Complexity	267
11091168	Defined_Bond_Stereo_Count	0
57930746	Molecular_Weight	109.13
7114	Rotatable_Bond_Count	1
13150	Rotatable_Bond_Count	2
7511	Structure_Complexity	59.5
1115	TPSA	190
580518	Structure_Complexity	265
5808	Hydrogen_Bond_Acceptor_Count	4
6891	Non-hydrogen_Atom_Count	13
32131	TPSA	124
15806	Molecular_Weight	225.24
7837	Defined_Atom_Stereo_Count	0
17541	TPSA	29.5
14027329	Non-hydrogen_Atom_Count	8
5479537	Undefined_Bond_Stereo_Count	0
30976	Hydrogen_Bond_Acceptor_Count	5
11114	Undefined_Bond_Stereo_Count	0
35754	Mono_Isotopic_Weight	281.08506629
6552009	Covalent_Unit_Count	1
44590515	Undefined_Bond_Stereo_Count	0
23681141	Defined_Bond_Stereo_Count	0
711656	Rotatable_Bond_Count	0
3083585	Isotope_Atom_Count	0
6266	Covalent_Unit_Count	1
30199	Non-hydrogen_Atom_Count	12
57394197	Undefined_Atom_Stereo_Count	0
234808	Covalent_Unit_Count	1
135434844	Molecular_Weight	1145.3
82513	Hydrogen_Bond_Acceptor_Count	2
39147	Rotatable_Bond_Count	6
72978296	Exact_Mass	115.063328530
14050	Undefined_Atom_Stereo_Count	1
39521	XLogP3-AA	0.6
10042942	Defined_Atom_Stereo_Count	1
68365444	Hydrogen_Bond_Acceptor_Count	2
115011065	Isotope_Atom_Count	0
1	Hydrogen_Bond_Acceptor_Count	4
20297542	Undefined_Atom_Stereo_Count	0
65513	Hydrogen_Bond_Acceptor_Count	10
2757950	Defined_Bond_Stereo_Count	0
16219160	Undefined_Bond_Stereo_Count	0
12661198	Rotatable_Bond_Count	1
58099153	TPSA	13.1
24759	Hydrogen_Bond_Acceptor_Count	23
163050677	Molecular_Weight	284.35
117439	Hydrogen_Bond_Acceptor_Count	5
138107644	Hydrogen_Bond_Donor_Count	5
21185116	Rotatable_Bond_Count	0
108108	Defined_Bond_Stereo_Count	0
43331	Defined_Bond_Stereo_Count	0
455733	Exact_Mass	262.168127949
8784	Rotatable_Bond_Count	2
6555	Molecular_Weight	137.02
319954	Defined_Bond_Stereo_Count	0
137700140	Mono_Isotopic_Weight	369.0880191
630355	Undefined_Atom_Stereo_Count	0
3690	Defined_Bond_Stereo_Count	0
19089767	Mono_Isotopic_Weight	101.047678466
167451	Rotatable_Bond_Count	5
90264	Tautomer_Count	5
14789	Hydrogen_Bond_Donor_Count	2
45085022	Hydrogen_Bond_Donor_Count	1
122356	TPSA	55.1
135404289	Hydrogen_Bond_Donor_Count	2
34072	Mono_Isotopic_Weight	114.104465066
70543261	Mono_Isotopic_Weight	180.06338810
88371993	Defined_Bond_Stereo_Count	0
687604	Undefined_Bond_Stereo_Count	0
66304	Tautomer_Count	1
20521791	Structure_Complexity	159
11269297	Hydrogen_Bond_Donor_Count	3
7196	TPSA	55.8
5359484	TPSA	88.8
12811926	Total_Formal_Charge	0
25134692	Isotope_Atom_Count	0
23236224	Undefined_Bond_Stereo_Count	0
55289386	Defined_Atom_Stereo_Count	0
2212	Exact_Mass	609.35263424
68846936	Defined_Atom_Stereo_Count	0
12907914	Rotatable_Bond_Count	0
9804302	Non-hydrogen_Atom_Count	30
159809	Isotope_Atom_Count	0
21075956	Hydrogen_Bond_Donor_Count	0
118654527	Non-hydrogen_Atom_Count	20
28064676	Rotatable_Bond_Count	1
80092	Isotope_Atom_Count	0
102019	Isotope_Atom_Count	0
54574891	Undefined_Bond_Stereo_Count	1
3843063	Undefined_Bond_Stereo_Count	0
13661819	Mono_Isotopic_Weight	98.073164938
11861720	Rotatable_Bond_Count	1
59742	Structure_Complexity	527
9919942	Structure_Complexity	1900
4978638	Defined_Bond_Stereo_Count	0
694466	TPSA	111
4228493	Mono_Isotopic_Weight	118.0185425
70734	TPSA	58.7
7772	Mono_Isotopic_Weight	144.115029749
20441	Mono_Isotopic_Weight	147.05315777
44417326	Undefined_Atom_Stereo_Count	2
23665763	Isotope_Atom_Count	0
71191	Isotope_Atom_Count	0
9385	Isotope_Atom_Count	0
73829111	Structure_Complexity	82.2
57394195	Exact_Mass	457.25294081
19431	Exact_Mass	272.99816207
97383	Defined_Bond_Stereo_Count	0
65453	TPSA	214
25244760	Molecular_Weight	137.05
2401	TPSA	78.9
641496	Exact_Mass	101.047678466
78318119	Undefined_Bond_Stereo_Count	0
23009814	Total_Formal_Charge	0
2733336	Molecular_Weight	48.02
6440871	Hydrogen_Bond_Acceptor_Count	7
5242433	Total_Formal_Charge	1
5719	Covalent_Unit_Count	1
54014222	Covalent_Unit_Count	1
4345	Non-hydrogen_Atom_Count	26
19028568	Defined_Atom_Stereo_Count	0
1437819	Molecular_Weight	341.8
16958	Defined_Bond_Stereo_Count	0
8920	Mono_Isotopic_Weight	185.214349865
123662875	Undefined_Bond_Stereo_Count	0
64666823	Exact_Mass	100.088815002
14527402	Hydrogen_Bond_Donor_Count	0
10432339	Exact_Mass	421.0863050
452254	Rotatable_Bond_Count	3
52021	Hydrogen_Bond_Donor_Count	1
91501507	Hydrogen_Bond_Acceptor_Count	0
53846421	Non-hydrogen_Atom_Count	30
6535	Undefined_Atom_Stereo_Count	0
519466	TPSA	50.4
453251	Structure_Complexity	346
160817	Mono_Isotopic_Weight	238.062994177
13718	Exact_Mass	221.141578849
20952	Defined_Atom_Stereo_Count	0
9829639	Rotatable_Bond_Count	4
117291	Hydrogen_Bond_Acceptor_Count	4
18273	Tautomer_Count	1
2404	Undefined_Atom_Stereo_Count	1
25200298	Defined_Bond_Stereo_Count	4
49436	Structure_Complexity	259
10986305	Hydrogen_Bond_Acceptor_Count	3
20426485	Rotatable_Bond_Count	3
443946	Exact_Mass	794.44525677
6994279	TPSA	60.7
12500939	Undefined_Atom_Stereo_Count	2
15982019	Molecular_Weight	481.5
314282	Rotatable_Bond_Count	1
14765771	Exact_Mass	108.032362755
98473	Non-hydrogen_Atom_Count	28
24181099	Structure_Complexity	981
7090	Defined_Atom_Stereo_Count	0
12521030	Total_Formal_Charge	0
62329	Covalent_Unit_Count	1
139759	Exact_Mass	14.03200687
5257437	TPSA	0
144946255	Exact_Mass	112.088815002
6141	Molecular_Weight	340.3
6125184	Non-hydrogen_Atom_Count	24
6620	Structure_Complexity	272
6871	Total_Formal_Charge	0
91749	Hydrogen_Bond_Donor_Count	1
31736	XLogP3	3.3
11243536	Exact_Mass	300.0796186
123631	Structure_Complexity	545
7832	Hydrogen_Bond_Donor_Count	0
52950901	Isotope_Atom_Count	1
92089	Hydrogen_Bond_Acceptor_Count	5
24149	Isotope_Atom_Count	0
21770	Structure_Complexity	370
58014	Hydrogen_Bond_Acceptor_Count	8
134693234	XLogP3	3.6
131003005	Isotope_Atom_Count	0
6926437	Covalent_Unit_Count	1
75430	Rotatable_Bond_Count	3
45085047	Molecular_Weight	114.10
115234	Undefined_Bond_Stereo_Count	0
81255	Defined_Bond_Stereo_Count	0
137319715	Hydrogen_Bond_Acceptor_Count	2
70754	Total_Formal_Charge	0
290807	Hydrogen_Bond_Acceptor_Count	1
3084169	Defined_Bond_Stereo_Count	0
119058385	Hydrogen_Bond_Donor_Count	3
7761	Hydrogen_Bond_Acceptor_Count	4
20206050	Total_Formal_Charge	0
72200037	Covalent_Unit_Count	1
5289159	Hydrogen_Bond_Donor_Count	1
129600762	Isotope_Atom_Count	0
145188444	Molecular_Weight	114.15
6067	Defined_Bond_Stereo_Count	0
6919173	Hydrogen_Bond_Donor_Count	3
57392964	Defined_Bond_Stereo_Count	0
53920622	Defined_Bond_Stereo_Count	0
14511497	Covalent_Unit_Count	1
148198	Defined_Atom_Stereo_Count	0
7055551	XLogP3-AA	2.9
53486288	Undefined_Atom_Stereo_Count	1
78457	Defined_Atom_Stereo_Count	1
14831302	Defined_Bond_Stereo_Count	0
522708	XLogP3-AA	1.6
9576885	Covalent_Unit_Count	1
115098	Undefined_Atom_Stereo_Count	0
88266	Hydrogen_Bond_Donor_Count	1
127548	Molecular_Weight	217.22
176870	TPSA	74.7
656917	Exact_Mass	294.15009510
60156	Hydrogen_Bond_Acceptor_Count	4
6515	Undefined_Atom_Stereo_Count	0
22096568	Mono_Isotopic_Weight	63.02684640
4135	Covalent_Unit_Count	1
11664966	Isotope_Atom_Count	0
76819	Rotatable_Bond_Count	2
57370084	Undefined_Bond_Stereo_Count	0
428	Covalent_Unit_Count	1
85694	Covalent_Unit_Count	1
161209	Defined_Bond_Stereo_Count	0
46783232	Exact_Mass	361.12738533
81846	Structure_Complexity	464
16684463	Rotatable_Bond_Count	8
9954082	Mono_Isotopic_Weight	423.2904073
36560	Covalent_Unit_Count	2
63019	Hydrogen_Bond_Donor_Count	1
13469816	Covalent_Unit_Count	1
14799282	Defined_Atom_Stereo_Count	0
54344827	Undefined_Atom_Stereo_Count	1
9841075	Hydrogen_Bond_Acceptor_Count	4
11503692	Molecular_Weight	467.5
7335	Covalent_Unit_Count	1
23204	TPSA	0
133169	Isotope_Atom_Count	0
54581861	Hydrogen_Bond_Donor_Count	1
95187	Undefined_Atom_Stereo_Count	0
23381756	Undefined_Atom_Stereo_Count	0
11174789	Non-hydrogen_Atom_Count	24
152643	Hydrogen_Bond_Donor_Count	1
656597	Total_Formal_Charge	0
17510	Hydrogen_Bond_Acceptor_Count	3
6436219	Structure_Complexity	634
11181	Mono_Isotopic_Weight	100.063662883
26738	Tautomer_Count	409
718449	XLogP3-AA	1.8
887824	XLogP3-AA	2.4
10132209	Hydrogen_Bond_Donor_Count	1
89138978	Defined_Bond_Stereo_Count	0
77129	Rotatable_Bond_Count	0
14852477	Hydrogen_Bond_Acceptor_Count	2
6436606	Rotatable_Bond_Count	10
96776	Mono_Isotopic_Weight	232.157563266
5460037	Non-hydrogen_Atom_Count	34
71305058	Molecular_Weight	421.3
65573986	Hydrogen_Bond_Acceptor_Count	1
119432	TPSA	1
13654	TPSA	26.3
213840	Hydrogen_Bond_Donor_Count	0
126962001	Non-hydrogen_Atom_Count	55
21809017	Structure_Complexity	116
48305	Non-hydrogen_Atom_Count	27
18755011	Hydrogen_Bond_Donor_Count	1
9971	TPSA	63.3
3829279	Defined_Bond_Stereo_Count	0
104735	Non-hydrogen_Atom_Count	12
9081	Non-hydrogen_Atom_Count	10
9895247	Defined_Bond_Stereo_Count	0
21946307	Non-hydrogen_Atom_Count	7
12255457	Defined_Bond_Stereo_Count	0
11519741	Exact_Mass	563.07996
441141	Mono_Isotopic_Weight	1447.4301997
395450	Hydrogen_Bond_Donor_Count	0
129864969	Rotatable_Bond_Count	2
441348	Exact_Mass	306.0901833
6328250	TPSA	30.2
129651092	Defined_Atom_Stereo_Count	1
682529	Defined_Atom_Stereo_Count	0
16295	Mono_Isotopic_Weight	148.125200510
37251	Total_Formal_Charge	0
70312242	Covalent_Unit_Count	1
12218383	Defined_Bond_Stereo_Count	0
16437056	Undefined_Bond_Stereo_Count	0
448071	Undefined_Atom_Stereo_Count	0
12383778	Defined_Atom_Stereo_Count	0
27304	TPSA	135
31005	Undefined_Bond_Stereo_Count	0
135678081	Isotope_Atom_Count	0
23675747	Hydrogen_Bond_Acceptor_Count	4
102891	Structure_Complexity	388
587	Structure_Complexity	271
58969552	Covalent_Unit_Count	1
24181146	TPSA	161
3082555	Tautomer_Count	6
5392139	Hydrogen_Bond_Donor_Count	1
41506	Tautomer_Count	1
11587639	TPSA	56.6
23385063	Total_Formal_Charge	0
7323	Mono_Isotopic_Weight	254.9159841
56436	Hydrogen_Bond_Donor_Count	0
55301151	Structure_Complexity	94.1
70662473	Undefined_Bond_Stereo_Count	0
2733224	TPSA	47.4
80790	Mono_Isotopic_Weight	164.120115130
5301	Covalent_Unit_Count	1
57401427	Hydrogen_Bond_Acceptor_Count	5
136796	Hydrogen_Bond_Acceptor_Count	0
6433718	Molecular_Weight	829.6
19039	Hydrogen_Bond_Acceptor_Count	18
2998624	XLogP3-AA	2.5
44629594	Defined_Bond_Stereo_Count	0
64617	Non-hydrogen_Atom_Count	20
13896532	Isotope_Atom_Count	0
78962	Isotope_Atom_Count	0
2578	Defined_Bond_Stereo_Count	0
144841571	Hydrogen_Bond_Acceptor_Count	2
77832	Hydrogen_Bond_Acceptor_Count	3
161764	Total_Formal_Charge	0
87075443	Defined_Bond_Stereo_Count	0
3197630	Structure_Complexity	635
44630475	Covalent_Unit_Count	2
67247971	Molecular_Weight	406.4
23063442	Defined_Atom_Stereo_Count	0
20093437	Exact_Mass	108.032362755
57401296	Molecular_Weight	428.6
118705485	Structure_Complexity	426
28639	Defined_Bond_Stereo_Count	0
17805735	Exact_Mass	96.068748264
2799	Defined_Bond_Stereo_Count	0
7578	Tautomer_Count	2
126969097	Structure_Complexity	1390
60182	Isotope_Atom_Count	0
439570	TPSA	17.1
123304439	Rotatable_Bond_Count	1
6332110	Hydrogen_Bond_Donor_Count	0
114935	Structure_Complexity	1170
53361524	Hydrogen_Bond_Donor_Count	2
129870262	Hydrogen_Bond_Acceptor_Count	2
9048976	Rotatable_Bond_Count	7
11655511	Non-hydrogen_Atom_Count	33
21622	Covalent_Unit_Count	1
37844	Rotatable_Bond_Count	6
60199965	Molecular_Weight	476.5
14039779	Non-hydrogen_Atom_Count	7
6436138	Mono_Isotopic_Weight	424.0938327
60946	Covalent_Unit_Count	3
65601	Total_Formal_Charge	0
9903970	Structure_Complexity	363
18952630	Structure_Complexity	52
90628	Structure_Complexity	141
57190391	Non-hydrogen_Atom_Count	6
15983809	Defined_Atom_Stereo_Count	0
4786	Structure_Complexity	110
97414	Mono_Isotopic_Weight	227.07284784
62884	Non-hydrogen_Atom_Count	17
58714	Defined_Atom_Stereo_Count	0
2795218	Molecular_Weight	113.11
24848177	Defined_Atom_Stereo_Count	0
37612	TPSA	37
56842796	Non-hydrogen_Atom_Count	19
138510	Rotatable_Bond_Count	1
131238	Covalent_Unit_Count	1
114849	Mono_Isotopic_Weight	131.069476538
20752947	Covalent_Unit_Count	1
54929	Isotope_Atom_Count	0
445070	Hydrogen_Bond_Acceptor_Count	1
14783	Isotope_Atom_Count	0
192275	Hydrogen_Bond_Acceptor_Count	5
7259	Exact_Mass	121.089149355
69982	Hydrogen_Bond_Acceptor_Count	3
72887	Molecular_Weight	128.17
89493247	Structure_Complexity	104
14061673	Isotope_Atom_Count	0
102506015	Hydrogen_Bond_Acceptor_Count	4
4167	Hydrogen_Bond_Acceptor_Count	2
5309446	Mono_Isotopic_Weight	361.1112531
69732358	Isotope_Atom_Count	0
4146595	Undefined_Bond_Stereo_Count	0
61305	Undefined_Bond_Stereo_Count	0
7835	Structure_Complexity	37.9
9327	Exact_Mass	614.36207672
119086019	Total_Formal_Charge	0
6067	Molecular_Weight	340.5
6360	XLogP3-AA	2.1
9823887	Non-hydrogen_Atom_Count	30
2083	Hydrogen_Bond_Donor_Count	4
85289	Non-hydrogen_Atom_Count	40
136135	Rotatable_Bond_Count	0
12303424	TPSA	58.6
12219458	Isotope_Atom_Count	9
3047	Rotatable_Bond_Count	6
58143010	Mono_Isotopic_Weight	116.047344113
66357	Undefined_Atom_Stereo_Count	0
20498	Total_Formal_Charge	0
74981	Undefined_Atom_Stereo_Count	0
67825	Isotope_Atom_Count	0
994360	Undefined_Bond_Stereo_Count	0
53909396	Hydrogen_Bond_Donor_Count	1
133478	Mono_Isotopic_Weight	284.131348519
4285	Molecular_Weight	327.5
17349	Defined_Bond_Stereo_Count	0
121493082	Molecular_Weight	6435
60985	TPSA	26.3
66824709	Undefined_Atom_Stereo_Count	0
71012	Hydrogen_Bond_Acceptor_Count	1
795875	Molecular_Weight	340.22
3514	Total_Formal_Charge	0
31266	Hydrogen_Bond_Donor_Count	0
18403043	Undefined_Atom_Stereo_Count	2
10486	Undefined_Bond_Stereo_Count	0
140793266	Undefined_Atom_Stereo_Count	0
178080	Defined_Bond_Stereo_Count	0
25142310	TPSA	89
135410914	Isotope_Atom_Count	0
72941779	Isotope_Atom_Count	0
439231	Tautomer_Count	4
128918	Tautomer_Count	1
128423	Undefined_Atom_Stereo_Count	1
118701038	TPSA	0
5284371	Hydrogen_Bond_Acceptor_Count	4
72790	Hydrogen_Bond_Acceptor_Count	4
67233382	Hydrogen_Bond_Donor_Count	2
133640201	Defined_Bond_Stereo_Count	1
2760056	Total_Formal_Charge	0
33191	Hydrogen_Bond_Acceptor_Count	1
7702	Rotatable_Bond_Count	3
54557	XLogP3	2.8
6713443	Defined_Bond_Stereo_Count	0
44578617	Undefined_Atom_Stereo_Count	0
53466061	Defined_Bond_Stereo_Count	0
57871279	Non-hydrogen_Atom_Count	8
131801471	Molecular_Weight	7127
53316379	Defined_Bond_Stereo_Count	0
63982	Isotope_Atom_Count	0
93251	Hydrogen_Bond_Donor_Count	0
5353510	XLogP3	0
173548	Mono_Isotopic_Weight	315.17942091
920954	Rotatable_Bond_Count	2
36324	Exact_Mass	293.189197746
73425380	Exact_Mass	684.01028135
11432307	Structure_Complexity	777
54195578	XLogP3-AA	2.7
70717	Mono_Isotopic_Weight	113.047678466
7230	Exact_Mass	238.05984080
77833	Structure_Complexity	350
131632429	Rotatable_Bond_Count	10
454386	Rotatable_Bond_Count	4
12724643	Molecular_Weight	112.17
46910592	Mono_Isotopic_Weight	658.22975722
6433110	Hydrogen_Bond_Donor_Count	2
547790	Total_Formal_Charge	0
91029	Total_Formal_Charge	0
28563239	Rotatable_Bond_Count	3
667468	Undefined_Bond_Stereo_Count	0
57261612	Mono_Isotopic_Weight	109.063997236
23597592	TPSA	29.5
18422690	Defined_Atom_Stereo_Count	0
12504793	Structure_Complexity	64.6
6361	Exact_Mass	78.0236279
23597592	Hydrogen_Bond_Donor_Count	1
198212	Molecular_Weight	179.17
86083878	Defined_Bond_Stereo_Count	0
19665	Isotope_Atom_Count	0
90181814	Covalent_Unit_Count	1
17995361	Hydrogen_Bond_Donor_Count	0
3328	Defined_Atom_Stereo_Count	0
3599	TPSA	58.6
16092139	XLogP3-AA	3.3
54037464	TPSA	72.3
11228650	Covalent_Unit_Count	1
135177	Hydrogen_Bond_Acceptor_Count	3
577022	Total_Formal_Charge	0
2947	Rotatable_Bond_Count	0
91599597	Exact_Mass	110.109550447
49865963	Defined_Atom_Stereo_Count	7
24350	Mono_Isotopic_Weight	189.83407
3035235	Molecular_Weight	341.4
11556910	Hydrogen_Bond_Acceptor_Count	11
3776	Tautomer_Count	6
504	Tautomer_Count	5
100641	Total_Formal_Charge	0
153241	Non-hydrogen_Atom_Count	33
118855445	Mono_Isotopic_Weight	712.27966526
135911835	Isotope_Atom_Count	0
854418	Defined_Atom_Stereo_Count	0
5351154	Mono_Isotopic_Weight	184.11849242
20203832	Covalent_Unit_Count	1
89440	Undefined_Bond_Stereo_Count	0
439575	Defined_Atom_Stereo_Count	1
61393223	Mono_Isotopic_Weight	112.063662883
22753620	Undefined_Bond_Stereo_Count	0
463694	Mono_Isotopic_Weight	272.07970687
54686843	Total_Formal_Charge	0
1374121	Non-hydrogen_Atom_Count	33
668081	TPSA	61.8
587348	Hydrogen_Bond_Donor_Count	1
139269842	Hydrogen_Bond_Acceptor_Count	3
45486168	Defined_Bond_Stereo_Count	0
41958	Covalent_Unit_Count	1
13861740	Mono_Isotopic_Weight	128.00851382
690109	Total_Formal_Charge	0
87527569	Undefined_Bond_Stereo_Count	0
14503	Molecular_Weight	187.1
141167	Non-hydrogen_Atom_Count	6
319344	TPSA	42
25561	Hydrogen_Bond_Acceptor_Count	4
24401	Mono_Isotopic_Weight	118.917702
3074943	Tautomer_Count	6
45484135	Rotatable_Bond_Count	12
5789	Rotatable_Bond_Count	2
53245646	Rotatable_Bond_Count	7
10178	Total_Formal_Charge	0
12951370	Non-hydrogen_Atom_Count	8
3811882	Undefined_Atom_Stereo_Count	0
18852	Undefined_Atom_Stereo_Count	0
164576789	Isotope_Atom_Count	0
5813717	Defined_Atom_Stereo_Count	0
8106	XLogP3	3.3
6989	Non-hydrogen_Atom_Count	11
22341299	Hydrogen_Bond_Donor_Count	2
129652979	Isotope_Atom_Count	0
16204922	Defined_Atom_Stereo_Count	0
60976	Undefined_Bond_Stereo_Count	0
461128	Isotope_Atom_Count	0
163548545	Exact_Mass	112.052429494
47035	Exact_Mass	321.21781779
71562042	Rotatable_Bond_Count	5
11442292	Covalent_Unit_Count	1
24678	Undefined_Atom_Stereo_Count	0
77532	Hydrogen_Bond_Donor_Count	0
12200728	Defined_Bond_Stereo_Count	0
3430	Isotope_Atom_Count	0
13385	Undefined_Bond_Stereo_Count	0
177084	Hydrogen_Bond_Acceptor_Count	1
2749	Molecular_Weight	207.27
23667627	Hydrogen_Bond_Donor_Count	1
6539017	XLogP3-AA	3
527559	Total_Formal_Charge	0
14829	Structure_Complexity	2
7198	TPSA	52.6
71482	Hydrogen_Bond_Acceptor_Count	7
136515	Non-hydrogen_Atom_Count	8
71459165	Covalent_Unit_Count	1
87079617	Rotatable_Bond_Count	3
266	Hydrogen_Bond_Donor_Count	2
2733525	Isotope_Atom_Count	0
227260	Tautomer_Count	5
483559	Non-hydrogen_Atom_Count	30
9571109	Undefined_Bond_Stereo_Count	0
57286318	TPSA	45.4
6262	Defined_Atom_Stereo_Count	1
19068741	Structure_Complexity	108
93536	Rotatable_Bond_Count	2
86062	Mono_Isotopic_Weight	101.120449483
15765	Defined_Atom_Stereo_Count	0
86183	TPSA	54.1
45357147	Undefined_Bond_Stereo_Count	0
9160	Rotatable_Bond_Count	0
5459792	TPSA	101
631	Rotatable_Bond_Count	16
46203139	Hydrogen_Bond_Acceptor_Count	10
62881	Exact_Mass	656.34147767
277406	Non-hydrogen_Atom_Count	8
4560	TPSA	20.2
129830140	Non-hydrogen_Atom_Count	15
21158442	Covalent_Unit_Count	1
87243	Undefined_Atom_Stereo_Count	0
17814354	Covalent_Unit_Count	1
91290078	Hydrogen_Bond_Acceptor_Count	1
132472265	Structure_Complexity	1970
141630	Defined_Atom_Stereo_Count	0
11750009	Rotatable_Bond_Count	5
25201603	TPSA	292
533884	Mono_Isotopic_Weight	99.104799419
17754007	Undefined_Bond_Stereo_Count	0
558502	Isotope_Atom_Count	0
20372060	Mono_Isotopic_Weight	113.047678466
16540	Molecular_Weight	119.59
4431756	Hydrogen_Bond_Acceptor_Count	3
3094	XLogP3-AA	6.6
20638786	Defined_Bond_Stereo_Count	0
17131	Defined_Atom_Stereo_Count	0
74066	Hydrogen_Bond_Donor_Count	2
60196301	Molecular_Weight	334.2
13785328	Molecular_Weight	384.5
279062	Total_Formal_Charge	0
121630	Exact_Mass	99.068413911
66117	Structure_Complexity	142
94402	Total_Formal_Charge	0
79089	Tautomer_Count	1
67431	Undefined_Bond_Stereo_Count	0
20557721	Hydrogen_Bond_Donor_Count	3
688803	Covalent_Unit_Count	1
21117498	Undefined_Atom_Stereo_Count	0
9794203	Covalent_Unit_Count	1
72200409	Mono_Isotopic_Weight	545.26853321
70690638	Exact_Mass	457.18623762
53322797	Defined_Bond_Stereo_Count	0
3442	Defined_Atom_Stereo_Count	0
70014	Exact_Mass	189.00380189
91820403	Isotope_Atom_Count	0
145909964	Non-hydrogen_Atom_Count	7
28660	Rotatable_Bond_Count	1
4449	Covalent_Unit_Count	1
13186	Hydrogen_Bond_Donor_Count	1
70685868	Isotope_Atom_Count	0
11338033	Structure_Complexity	479
91561252	Isotope_Atom_Count	0
24946799	Molecular_Weight	405.6
10090005	Isotope_Atom_Count	0
7280190	Defined_Atom_Stereo_Count	0
81459	Hydrogen_Bond_Acceptor_Count	1
284980	Isotope_Atom_Count	0
50367	Defined_Atom_Stereo_Count	0
538433	Undefined_Atom_Stereo_Count	0
5059	XLogP3-AA	5.2
3038501	Mono_Isotopic_Weight	333.13247072
3485	Rotatable_Bond_Count	4
525785	Molecular_Weight	111.14
120081	Non-hydrogen_Atom_Count	16
7560	Hydrogen_Bond_Acceptor_Count	1
85912645	Total_Formal_Charge	0
6515	Isotope_Atom_Count	0
1549004	Defined_Bond_Stereo_Count	1
6180	TPSA	91.7
484990	Structure_Complexity	377
10217663	Defined_Bond_Stereo_Count	0
9916282	Rotatable_Bond_Count	12
2296	Exact_Mass	491.20563565
737157	Hydrogen_Bond_Donor_Count	1
118797455	XLogP3-AA	5.1
12990	Total_Formal_Charge	0
54150876	Structure_Complexity	165
89518758	Total_Formal_Charge	0
53973376	TPSA	44
135423375	XLogP3-AA	2.6
15538	Total_Formal_Charge	0
546	Exact_Mass	139.98746025
11657	TPSA	0
12590456	TPSA	29.1
817096	XLogP3-AA	1.3
118855910	Defined_Bond_Stereo_Count	0
10872638	Total_Formal_Charge	0
67444	XLogP3	7
16212118	Defined_Bond_Stereo_Count	0
75987414	Total_Formal_Charge	0
99058	Exact_Mass	260.02971899
68624	Hydrogen_Bond_Acceptor_Count	8
522	Covalent_Unit_Count	1
23724827	Hydrogen_Bond_Donor_Count	3
86101	XLogP3	2.1
968645	Rotatable_Bond_Count	3
270299	Total_Formal_Charge	0
10417847	Defined_Bond_Stereo_Count	0
42827	Defined_Bond_Stereo_Count	0
631271	Mono_Isotopic_Weight	344.10956770
6235	Covalent_Unit_Count	1
25058183	Defined_Atom_Stereo_Count	0
19606817	Defined_Bond_Stereo_Count	0
16219567	Molecular_Weight	342.30
5282182	Hydrogen_Bond_Donor_Count	0
69532978	Molecular_Weight	115.13
168088	Hydrogen_Bond_Donor_Count	1
66602237	Isotope_Atom_Count	0
56927704	Non-hydrogen_Atom_Count	53
61254	Hydrogen_Bond_Acceptor_Count	3
59694	Exact_Mass	259.0876252
4627	XLogP3-AA	1.7
117563748	Defined_Bond_Stereo_Count	0
15535343	Undefined_Atom_Stereo_Count	1
97469	Non-hydrogen_Atom_Count	12
4875	Molecular_Weight	166.0028
704481	Defined_Atom_Stereo_Count	2
52159	Tautomer_Count	2
13820629	Non-hydrogen_Atom_Count	8
5004	Isotope_Atom_Count	0
9048976	Molecular_Weight	336.5
68353	Hydrogen_Bond_Donor_Count	0
12441662	Total_Formal_Charge	0
163091	Undefined_Bond_Stereo_Count	0
141344	Defined_Bond_Stereo_Count	0
10855394	Undefined_Atom_Stereo_Count	0
25263480	Defined_Atom_Stereo_Count	1
833466	TPSA	83
36832	Total_Formal_Charge	0
147577	Molecular_Weight	400.6
18923110	Undefined_Bond_Stereo_Count	0
122672143	Molecular_Weight	112.17
121719	Tautomer_Count	2
56679113	Total_Formal_Charge	0
6920223	Defined_Atom_Stereo_Count	0
9941379	Total_Formal_Charge	0
41114	Hydrogen_Bond_Donor_Count	2
186100	Rotatable_Bond_Count	4
147078	TPSA	156
160312	Covalent_Unit_Count	1
908836	Isotope_Atom_Count	0
601880	Non-hydrogen_Atom_Count	13
54561127	Structure_Complexity	117
18004024	Covalent_Unit_Count	2
441203	Undefined_Atom_Stereo_Count	0
854418	Molecular_Weight	267.28
8073	Hydrogen_Bond_Donor_Count	0
49869041	Defined_Atom_Stereo_Count	0
4888	Tautomer_Count	1
54746485	Hydrogen_Bond_Donor_Count	7
5491295	Undefined_Bond_Stereo_Count	0
5365910	Defined_Atom_Stereo_Count	0
21875354	Covalent_Unit_Count	1
70681777	Total_Formal_Charge	0
9576912	Isotope_Atom_Count	0
11458	Defined_Bond_Stereo_Count	0
78858	Structure_Complexity	199
734033	TPSA	40.6
24963	Tautomer_Count	1
19985227	Isotope_Atom_Count	0
115116	Exact_Mass	286.15689456
53775252	Non-hydrogen_Atom_Count	8
92515	Isotope_Atom_Count	0
53494972	Rotatable_Bond_Count	3
13217907	Covalent_Unit_Count	1
89261068	Undefined_Atom_Stereo_Count	0
91980486	Defined_Bond_Stereo_Count	0
1381	Mono_Isotopic_Weight	408.18886022
76989	Hydrogen_Bond_Acceptor_Count	0
53315588	Covalent_Unit_Count	1
64648	Tautomer_Count	1
16218644	Defined_Atom_Stereo_Count	0
18324177	Non-hydrogen_Atom_Count	7
98181815	Hydrogen_Bond_Donor_Count	1
54708299	Undefined_Atom_Stereo_Count	2
2756396	Structure_Complexity	58.3
6732	Exact_Mass	230.094294304
21057	Undefined_Bond_Stereo_Count	0
11569158	Mono_Isotopic_Weight	477.1567673
4596191	Undefined_Atom_Stereo_Count	1
4825	Undefined_Atom_Stereo_Count	0
183679	Isotope_Atom_Count	0
96261	Covalent_Unit_Count	1
909860	Isotope_Atom_Count	0
55466	Structure_Complexity	631
90488850	Non-hydrogen_Atom_Count	36
15881135	Defined_Bond_Stereo_Count	0
135398729	TPSA	134
9862	Mono_Isotopic_Weight	126.104465066
24822135	Structure_Complexity	555
77903	Hydrogen_Bond_Donor_Count	0
71709	Total_Formal_Charge	0
23378923	Exact_Mass	112.088815002
11499271	Exact_Mass	162.0559907
24901348	Non-hydrogen_Atom_Count	35
644131	Hydrogen_Bond_Donor_Count	6
6572	Rotatable_Bond_Count	0
3644637	XLogP3-AA	3.8
30971	Isotope_Atom_Count	0
11850698	Rotatable_Bond_Count	6
139087298	TPSA	89.7
3516	Undefined_Bond_Stereo_Count	0
5367706	Structure_Complexity	203
5035	Isotope_Atom_Count	0
2737136	Undefined_Atom_Stereo_Count	0
12275054	Non-hydrogen_Atom_Count	8
90470403	Non-hydrogen_Atom_Count	13
71464685	Molecular_Weight	478.5
139062655	Defined_Bond_Stereo_Count	0
5319422	Hydrogen_Bond_Acceptor_Count	5
38769	TPSA	50.6
38642	Defined_Bond_Stereo_Count	0
80308	TPSA	46.2
7020094	Non-hydrogen_Atom_Count	19
56649416	Defined_Atom_Stereo_Count	11
14846	Undefined_Bond_Stereo_Count	0
19017960	Hydrogen_Bond_Acceptor_Count	1
14275	Covalent_Unit_Count	1
67164	Structure_Complexity	34.5
14806	Tautomer_Count	3
13625	Hydrogen_Bond_Acceptor_Count	2
53917786	Hydrogen_Bond_Donor_Count	1
15189029	Covalent_Unit_Count	1
5464265	Covalent_Unit_Count	1
79196	Molecular_Weight	114.19
25008940	Total_Formal_Charge	0
24386	Defined_Atom_Stereo_Count	0
13362	Tautomer_Count	2
11954310	Exact_Mass	452.32904526
4051541	Rotatable_Bond_Count	0
637668	Mono_Isotopic_Weight	178.062994177
124918412	Covalent_Unit_Count	1
68254185	Isotope_Atom_Count	0
59864	Rotatable_Bond_Count	4
11474262	Undefined_Bond_Stereo_Count	0
19778718	Mono_Isotopic_Weight	112.052429494
35056	Structure_Complexity	154
167945	Exact_Mass	218.10284761
627386	Molecular_Weight	402.04
91754484	Non-hydrogen_Atom_Count	26
20587930	Exact_Mass	100.052429494
21791633	Defined_Bond_Stereo_Count	0
17360	Undefined_Bond_Stereo_Count	1
15072	Molecular_Weight	125.17
52427	Isotope_Atom_Count	0
5831	Covalent_Unit_Count	2
49806720	Defined_Atom_Stereo_Count	0
11492406	Undefined_Atom_Stereo_Count	0
5282947	Molecular_Weight	296.4
562767	Undefined_Atom_Stereo_Count	1
6537499	Exact_Mass	616.36113323
2758875	XLogP3-AA	0.2
5113032	Tautomer_Count	160
25127299	Hydrogen_Bond_Donor_Count	1
10406	Undefined_Atom_Stereo_Count	1
55900	Structure_Complexity	483
64111	Structure_Complexity	693
53404864	Exact_Mass	100.088815002
23532160	Structure_Complexity	94.5
1548886	Defined_Atom_Stereo_Count	0
12285892	Covalent_Unit_Count	1
146156882	Defined_Atom_Stereo_Count	5
160243	Structure_Complexity	390
61789	Total_Formal_Charge	0
168365	Defined_Atom_Stereo_Count	0
59939847	Undefined_Atom_Stereo_Count	1
5284530	TPSA	225
111037	Tautomer_Count	1
121323963	Exact_Mass	112.052429494
17480032	Rotatable_Bond_Count	0
12647151	Covalent_Unit_Count	1
84481	Defined_Bond_Stereo_Count	0
5794	Mono_Isotopic_Weight	338.20932405
23707296	Hydrogen_Bond_Donor_Count	1
4217966	Defined_Bond_Stereo_Count	0
153534619	Hydrogen_Bond_Acceptor_Count	2
114911	Undefined_Atom_Stereo_Count	1
67518639	Hydrogen_Bond_Acceptor_Count	6
163878463	Exact_Mass	109.052763847
94543	Structure_Complexity	174
137759	Molecular_Weight	161.20
22308	Covalent_Unit_Count	1
10979	Covalent_Unit_Count	1
128549	Covalent_Unit_Count	1
8225	Non-hydrogen_Atom_Count	28
18718236	Mono_Isotopic_Weight	111.068413911
7648	Defined_Atom_Stereo_Count	0
24770445	Undefined_Bond_Stereo_Count	0
107327	Exact_Mass	226.229665576
65557	Mono_Isotopic_Weight	419.24604391
86233	Covalent_Unit_Count	1
73761	Covalent_Unit_Count	1
445354	Defined_Bond_Stereo_Count	4
210739	Rotatable_Bond_Count	2
131850547	Defined_Atom_Stereo_Count	0
439286	Undefined_Atom_Stereo_Count	0
10820493	Undefined_Atom_Stereo_Count	0
78960	Hydrogen_Bond_Donor_Count	0
16733194	Undefined_Atom_Stereo_Count	0
12669583	XLogP3-AA	1.2
61680	Undefined_Bond_Stereo_Count	0
32052	Rotatable_Bond_Count	2
23552387	Hydrogen_Bond_Acceptor_Count	3
17045	XLogP3-AA	0.5
68570	Non-hydrogen_Atom_Count	20
10253143	Non-hydrogen_Atom_Count	29
8534	Non-hydrogen_Atom_Count	22
15765	Hydrogen_Bond_Acceptor_Count	2
19816872	Molecular_Weight	113.11
5484	Structure_Complexity	309
118010650	Structure_Complexity	77.7
95200	Total_Formal_Charge	0
62705690	Undefined_Atom_Stereo_Count	0
33606	Structure_Complexity	234
22386467	Mono_Isotopic_Weight	418.051880
7011	Hydrogen_Bond_Donor_Count	1
118994155	Mono_Isotopic_Weight	109.052763847
86614862	Molecular_Weight	358.2
13240378	Rotatable_Bond_Count	3
131632347	Covalent_Unit_Count	1
26204	Hydrogen_Bond_Acceptor_Count	2
2218	Non-hydrogen_Atom_Count	24
14410	Covalent_Unit_Count	1
146570	Hydrogen_Bond_Acceptor_Count	4
15431	Hydrogen_Bond_Donor_Count	0
5281670	Structure_Complexity	488
87599626	Defined_Bond_Stereo_Count	0
10186986	TPSA	105
162807	Rotatable_Bond_Count	0
2214	Hydrogen_Bond_Donor_Count	1
22379495	Undefined_Atom_Stereo_Count	0
5364759	Tautomer_Count	1
445480	Non-hydrogen_Atom_Count	31
134931805	Hydrogen_Bond_Donor_Count	0
641245	Undefined_Atom_Stereo_Count	0
84265	Structure_Complexity	235
73509	Covalent_Unit_Count	1
93320	Covalent_Unit_Count	1
557816	XLogP3-AA	0.5
12389634	Exact_Mass	94.078250319
31005	Hydrogen_Bond_Acceptor_Count	2
5143	Hydrogen_Bond_Donor_Count	1
3169	Hydrogen_Bond_Acceptor_Count	4
13371699	TPSA	214
439352	Hydrogen_Bond_Acceptor_Count	4
58079819	Rotatable_Bond_Count	1
123892631	TPSA	37.3
21828691	Undefined_Bond_Stereo_Count	0
5083	Undefined_Atom_Stereo_Count	0
7705	Undefined_Atom_Stereo_Count	0
668508	Defined_Bond_Stereo_Count	0
89822	Defined_Atom_Stereo_Count	0
70273609	TPSA	0
637932	Mono_Isotopic_Weight	84.05512859
10883551	Mono_Isotopic_Weight	100.052429494
146993530	Molecular_Weight	108.18
890718	Defined_Atom_Stereo_Count	0
5324584	Isotope_Atom_Count	0
134693629	Structure_Complexity	140
12705044	Defined_Bond_Stereo_Count	0
12077313	Non-hydrogen_Atom_Count	13
439233	Total_Formal_Charge	0
2817	Mono_Isotopic_Weight	179.0137915
22480816	Rotatable_Bond_Count	1
449085	Molecular_Weight	124.08
16211884	Rotatable_Bond_Count	1
354	Structure_Complexity	228
117616350	Isotope_Atom_Count	0
9395	Mono_Isotopic_Weight	275.05587416
34154	Isotope_Atom_Count	0
58199	Structure_Complexity	329
3062316	Structure_Complexity	642
129010331	Covalent_Unit_Count	1
70346812	Defined_Atom_Stereo_Count	0
112711235	Rotatable_Bond_Count	1
11241	XLogP3-AA	2.1
5311424	Hydrogen_Bond_Donor_Count	2
71352	Mono_Isotopic_Weight	341.1546421
5940153	Exact_Mass	203.058243149
14862	Tautomer_Count	2
760021	Molecular_Weight	229.27
661938	Rotatable_Bond_Count	8
21575	Mono_Isotopic_Weight	181.03750770
5015763	Undefined_Bond_Stereo_Count	0
54479104	Defined_Atom_Stereo_Count	0
6386	Structure_Complexity	25.1
11963944	Hydrogen_Bond_Acceptor_Count	8
13478	Hydrogen_Bond_Acceptor_Count	9
504571	Hydrogen_Bond_Donor_Count	1
2225	Defined_Bond_Stereo_Count	0
44599828	Hydrogen_Bond_Acceptor_Count	4
399	Undefined_Atom_Stereo_Count	0
19842676	Undefined_Atom_Stereo_Count	1
572516	TPSA	25.8
11447	XLogP3-AA	4
21595393	Hydrogen_Bond_Donor_Count	1
119097350	Hydrogen_Bond_Donor_Count	0
18241	Undefined_Bond_Stereo_Count	0
135974	Covalent_Unit_Count	1
240373	Isotope_Atom_Count	0
91175918	Total_Formal_Charge	0
12749319	Isotope_Atom_Count	0
6995013	Defined_Atom_Stereo_Count	1
22246713	Total_Formal_Charge	0
13609305	Defined_Atom_Stereo_Count	0
4413	Defined_Bond_Stereo_Count	0
9793707	Defined_Atom_Stereo_Count	0
79059	Defined_Bond_Stereo_Count	0
14026391	Covalent_Unit_Count	1
7854	Covalent_Unit_Count	1
70691486	Undefined_Atom_Stereo_Count	0
11161534	Rotatable_Bond_Count	3
520098	Hydrogen_Bond_Donor_Count	0
19966535	Hydrogen_Bond_Donor_Count	4
7007	Structure_Complexity	219
58232624	XLogP3-AA	1.6
587369	Mono_Isotopic_Weight	402.0149675
123610	Undefined_Atom_Stereo_Count	5
57624328	Molecular_Weight	116.11
34230	Mono_Isotopic_Weight	724.47616298
112680	Molecular_Weight	100.16
62705687	Mono_Isotopic_Weight	458.13142291
83295	Structure_Complexity	375
9573395	Total_Formal_Charge	0
718618	Isotope_Atom_Count	0
61295	XLogP3-AA	1.6
690	Defined_Atom_Stereo_Count	0
3033943	Isotope_Atom_Count	0
4989215	Covalent_Unit_Count	1
73829111	XLogP3-AA	1.8
679386	Exact_Mass	276.05686342
25202509	TPSA	216
126521	Defined_Bond_Stereo_Count	0
5460853	Mono_Isotopic_Weight	203.082052598
14453685	Hydrogen_Bond_Acceptor_Count	1
21922278	Undefined_Atom_Stereo_Count	0
5748551	Exact_Mass	284.06847348
5249	Undefined_Atom_Stereo_Count	0
14388559	Defined_Bond_Stereo_Count	0
67258371	Hydrogen_Bond_Acceptor_Count	3
123737063	Structure_Complexity	65.1
28467	Non-hydrogen_Atom_Count	16
3048339	Exact_Mass	231.162314293
10582552	Isotope_Atom_Count	0
10071747	Rotatable_Bond_Count	7
115817	Non-hydrogen_Atom_Count	25
71785	Mono_Isotopic_Weight	313.215412493
192706	Non-hydrogen_Atom_Count	25
2762927	Isotope_Atom_Count	0
5172	Rotatable_Bond_Count	4
126968951	Undefined_Atom_Stereo_Count	1
115011049	Defined_Bond_Stereo_Count	0
5280492	Total_Formal_Charge	0
116842112	XLogP3-AA	1.6
67030919	Undefined_Bond_Stereo_Count	1
136307	Rotatable_Bond_Count	2
44349928	Exact_Mass	239.11575802
117881739	Total_Formal_Charge	0
9813119	Undefined_Bond_Stereo_Count	0
10606708	Hydrogen_Bond_Acceptor_Count	3
7875	Tautomer_Count	1
1892	Hydrogen_Bond_Donor_Count	1
11970143	Mono_Isotopic_Weight	4897.1470041
5282544	Covalent_Unit_Count	1
163436244	Undefined_Bond_Stereo_Count	1
184820	Total_Formal_Charge	0
10337564	Exact_Mass	344.152477885
24776154	Defined_Atom_Stereo_Count	0
838844	Molecular_Weight	239.07
3830	Isotope_Atom_Count	0
24825261	Mono_Isotopic_Weight	545.12659777
70608	XLogP3-AA	1.8
11274980	TPSA	42.8
8598	Hydrogen_Bond_Acceptor_Count	7
22833454	Covalent_Unit_Count	1
101606430	TPSA	32.3
4990	Hydrogen_Bond_Donor_Count	2
314284	Mono_Isotopic_Weight	102.068079557
544588	Defined_Bond_Stereo_Count	0
123892691	Covalent_Unit_Count	1
12397138	Defined_Bond_Stereo_Count	0
71345	Hydrogen_Bond_Donor_Count	0
697993	TPSA	69.4
841083	Total_Formal_Charge	0
130006807	Defined_Atom_Stereo_Count	0
49170	Defined_Bond_Stereo_Count	0
5318156	Hydrogen_Bond_Donor_Count	8
443878	TPSA	139
93074	Molecular_Weight	101.15
297618	Isotope_Atom_Count	0
74079	Covalent_Unit_Count	1
82418990	Total_Formal_Charge	0
70722	Defined_Atom_Stereo_Count	0
53483390	Hydrogen_Bond_Donor_Count	6
3082717	Rotatable_Bond_Count	6
5795	Isotope_Atom_Count	0
152943	Mono_Isotopic_Weight	379.17433553
145874935	TPSA	110
5367415	Isotope_Atom_Count	0
20486748	Exact_Mass	85.027611728
16627	Hydrogen_Bond_Acceptor_Count	2
72736	XLogP3-AA	4.7
29089	Hydrogen_Bond_Donor_Count	18
88483	Isotope_Atom_Count	0
9093	Non-hydrogen_Atom_Count	10
22419	Defined_Atom_Stereo_Count	0
73115	Structure_Complexity	413
164888	Undefined_Atom_Stereo_Count	0
8743	Covalent_Unit_Count	1
69908	Total_Formal_Charge	0
61663	Undefined_Atom_Stereo_Count	0
6850814	Tautomer_Count	1
95010	Non-hydrogen_Atom_Count	12
703036	Molecular_Weight	250.05
656837	Non-hydrogen_Atom_Count	36
61562434	Isotope_Atom_Count	0
53763878	Undefined_Atom_Stereo_Count	0
522287	Isotope_Atom_Count	0
95069	Mono_Isotopic_Weight	224.058577502
299643	Undefined_Bond_Stereo_Count	0
90360523	Undefined_Bond_Stereo_Count	0
59706	Mono_Isotopic_Weight	343.21474379
12669583	Undefined_Atom_Stereo_Count	1
72466	Undefined_Atom_Stereo_Count	9
72683639	Isotope_Atom_Count	0
67535	Non-hydrogen_Atom_Count	14
4369414	Hydrogen_Bond_Acceptor_Count	8
17038	Exact_Mass	348.907860
51369	TPSA	46.6
131704172	Defined_Bond_Stereo_Count	0
189594	TPSA	23.5
440968	Defined_Atom_Stereo_Count	2
10098	Tautomer_Count	5
444679	Rotatable_Bond_Count	4
9483	Defined_Atom_Stereo_Count	0
60196329	Defined_Bond_Stereo_Count	1
57864687	Undefined_Bond_Stereo_Count	0
4298216	Non-hydrogen_Atom_Count	6
135459219	Undefined_Bond_Stereo_Count	0
24995524	Exact_Mass	430.0437292
65730	Isotope_Atom_Count	0
68723	Hydrogen_Bond_Donor_Count	1
403802	XLogP3-AA	3.9
9142	Total_Formal_Charge	0
119499	Non-hydrogen_Atom_Count	13
6360	Tautomer_Count	1
20680	Tautomer_Count	1
10649	Undefined_Bond_Stereo_Count	0
442632	Undefined_Atom_Stereo_Count	0
3898924	Hydrogen_Bond_Acceptor_Count	2
79319	Hydrogen_Bond_Donor_Count	0
43102	Defined_Bond_Stereo_Count	0
954	Defined_Atom_Stereo_Count	0
26009888	Mono_Isotopic_Weight	113.058911855
53626	Tautomer_Count	1
446987	Defined_Bond_Stereo_Count	0
123841971	Non-hydrogen_Atom_Count	7
12529691	Undefined_Atom_Stereo_Count	0
148837658	Total_Formal_Charge	0
10815	Isotope_Atom_Count	0
590596	Rotatable_Bond_Count	0
66425	Undefined_Atom_Stereo_Count	0
45085047	Hydrogen_Bond_Acceptor_Count	3
12541	Hydrogen_Bond_Acceptor_Count	5
36422	Isotope_Atom_Count	0
53693033	Hydrogen_Bond_Donor_Count	0
132236745	Exact_Mass	112.100048391
76537	Structure_Complexity	168
90393	Isotope_Atom_Count	0
142739236	Hydrogen_Bond_Donor_Count	1
15805370	Undefined_Bond_Stereo_Count	0
9892539	Isotope_Atom_Count	0
19870792	Covalent_Unit_Count	1
441476	Covalent_Unit_Count	1
398678	Defined_Atom_Stereo_Count	1
5076	Undefined_Bond_Stereo_Count	0
93542	Hydrogen_Bond_Acceptor_Count	7
13362	Isotope_Atom_Count	0
2383	Undefined_Atom_Stereo_Count	0
123071	Hydrogen_Bond_Acceptor_Count	4
11954319	Covalent_Unit_Count	2
54587229	Non-hydrogen_Atom_Count	28
6917789	Isotope_Atom_Count	0
59453356	Molecular_Weight	111.10
115205	Hydrogen_Bond_Donor_Count	6
57425261	Hydrogen_Bond_Donor_Count	1
77048	Isotope_Atom_Count	0
12777	Structure_Complexity	120
43193	Total_Formal_Charge	0
12453880	Mono_Isotopic_Weight	112.088815002
80421	Molecular_Weight	84.12
133914	Rotatable_Bond_Count	27
11622909	Undefined_Bond_Stereo_Count	0
9543169	Hydrogen_Bond_Acceptor_Count	22
11339	Defined_Bond_Stereo_Count	0
66837179	Total_Formal_Charge	0
18612333	Hydrogen_Bond_Acceptor_Count	0
91364344	TPSA	20.2
10110	Covalent_Unit_Count	1
3613359	Mono_Isotopic_Weight	72.081324323
119097769	Non-hydrogen_Atom_Count	8
117059122	Molecular_Weight	288.31
7961	TPSA	0
54225123	Defined_Bond_Stereo_Count	0
57452	Hydrogen_Bond_Donor_Count	1
638071	Hydrogen_Bond_Acceptor_Count	0
20697439	Hydrogen_Bond_Acceptor_Count	2
67782238	Molecular_Weight	100.12
83805	TPSA	124
31493	Total_Formal_Charge	0
86510	Hydrogen_Bond_Donor_Count	0
6386307	Covalent_Unit_Count	1
290223	XLogP3-AA	1.9
7196	Hydrogen_Bond_Acceptor_Count	4
160550	Hydrogen_Bond_Donor_Count	1
51039095	Rotatable_Bond_Count	8
13355	Hydrogen_Bond_Donor_Count	2
124143	Isotope_Atom_Count	0
15295	Undefined_Bond_Stereo_Count	0
90936519	Non-hydrogen_Atom_Count	85
78255	Rotatable_Bond_Count	18
101239377	Hydrogen_Bond_Acceptor_Count	10
71800	Isotope_Atom_Count	1
135402034	Exact_Mass	283.09166853
342238	Defined_Atom_Stereo_Count	0
246724	Covalent_Unit_Count	1
12201380	Structure_Complexity	123
90495	Molecular_Weight	218.25
11779772	Defined_Atom_Stereo_Count	0
6318	Exact_Mass	155.9978071
34388	Total_Formal_Charge	0
12688299	Defined_Bond_Stereo_Count	0
68310	Isotope_Atom_Count	0
598777	TPSA	51.8
91766	TPSA	67.4
54684337	Undefined_Bond_Stereo_Count	0
441397	Exact_Mass	465.15697138
21519580	XLogP3-AA	0.2
15612	Hydrogen_Bond_Donor_Count	0
12868608	Molecular_Weight	66.10
10154060	TPSA	43.4
74040195	Total_Formal_Charge	0
3033151	Defined_Bond_Stereo_Count	0
10517	Total_Formal_Charge	0
75043	Non-hydrogen_Atom_Count	13
6444834	Isotope_Atom_Count	0
89311461	Mono_Isotopic_Weight	114.079312947
57392871	Rotatable_Bond_Count	6
10194504	Exact_Mass	413.1142338
11414	Defined_Atom_Stereo_Count	0
86278438	XLogP3-AA	3.1
277694	Undefined_Bond_Stereo_Count	0
114523	Undefined_Bond_Stereo_Count	0
50905713	Total_Formal_Charge	0
6437841	Structure_Complexity	539
87155	Mono_Isotopic_Weight	178.062994177
2063	Total_Formal_Charge	0
14219	Non-hydrogen_Atom_Count	10
163578456	Undefined_Bond_Stereo_Count	0
57486971	Exact_Mass	109.089149355
543069	Defined_Bond_Stereo_Count	0
5371578	Tautomer_Count	1
62332	Exact_Mass	242.094294304
317678	Non-hydrogen_Atom_Count	7
123868	Mono_Isotopic_Weight	146.105527694
143852	Covalent_Unit_Count	1
6419108	TPSA	58.6
7907	Total_Formal_Charge	0
88191	Total_Formal_Charge	0
9811221	Structure_Complexity	1690
2844	Molecular_Weight	612.7
323	Molecular_Weight	146.14
46911956	TPSA	21.3
40854	Undefined_Atom_Stereo_Count	1
17074527	Hydrogen_Bond_Donor_Count	1
54234173	Undefined_Atom_Stereo_Count	0
322	TPSA	57.5
10989	Exact_Mass	158.167065321
139062656	Undefined_Bond_Stereo_Count	0
24857598	Hydrogen_Bond_Donor_Count	0
91750	Mono_Isotopic_Weight	414.09576811
2021	Hydrogen_Bond_Donor_Count	5
136721436	Isotope_Atom_Count	0
2734686	Isotope_Atom_Count	0
122241575	Undefined_Bond_Stereo_Count	0
139024271	Defined_Bond_Stereo_Count	0
94960	Tautomer_Count	12
6919101	Structure_Complexity	73.1
11083832	Molecular_Weight	96.09
27447	Hydrogen_Bond_Donor_Count	3
219704	Hydrogen_Bond_Donor_Count	1
44577611	Defined_Atom_Stereo_Count	0
57515973	Hydrogen_Bond_Donor_Count	4
141161	Molecular_Weight	136.3
975	Hydrogen_Bond_Acceptor_Count	16
11953947	Rotatable_Bond_Count	22
10046404	XLogP3-AA	5.2
87323	Undefined_Bond_Stereo_Count	0
55285775	Rotatable_Bond_Count	1
316975	Defined_Bond_Stereo_Count	0
6321411	Non-hydrogen_Atom_Count	30
62238	Exact_Mass	512.55323154
5121662	Non-hydrogen_Atom_Count	13
139449	Covalent_Unit_Count	1
65784	Hydrogen_Bond_Acceptor_Count	4
58166	Tautomer_Count	2
9831783	Covalent_Unit_Count	3
14325610	Structure_Complexity	40.7
455799	Isotope_Atom_Count	0
5425	Undefined_Bond_Stereo_Count	0
12313170	Isotope_Atom_Count	0
9915039	TPSA	68.2
54193461	Hydrogen_Bond_Donor_Count	0
2322334	Total_Formal_Charge	0
62656	Defined_Atom_Stereo_Count	0
156419	Non-hydrogen_Atom_Count	26
41386	Hydrogen_Bond_Donor_Count	1
90561	Hydrogen_Bond_Donor_Count	2
83717	Covalent_Unit_Count	1
17549	Non-hydrogen_Atom_Count	16
4992	Covalent_Unit_Count	1
18923110	Hydrogen_Bond_Acceptor_Count	2
71484	Structure_Complexity	995
77801	Mono_Isotopic_Weight	150.115698455
593919	Non-hydrogen_Atom_Count	10
21789	Mono_Isotopic_Weight	191.094628657
66972027	Isotope_Atom_Count	0
10419143	Total_Formal_Charge	0
6433192	Covalent_Unit_Count	2
23616570	Molecular_Weight	359.9
25162926	Undefined_Atom_Stereo_Count	0
281	Structure_Complexity	10
11646	Tautomer_Count	1
3009010	Rotatable_Bond_Count	12
9461	Covalent_Unit_Count	1
520527	Total_Formal_Charge	0
394156	Structure_Complexity	282
10180799	Non-hydrogen_Atom_Count	30
117957810	Defined_Atom_Stereo_Count	0
5282387	Molecular_Weight	370.59
23674215	Hydrogen_Bond_Donor_Count	1
22219016	Total_Formal_Charge	0
3239235	Structure_Complexity	414
88069	Hydrogen_Bond_Acceptor_Count	3
171829	Undefined_Atom_Stereo_Count	0
71676045	Molecular_Weight	390.4
133109195	Hydrogen_Bond_Acceptor_Count	9
836002	Hydrogen_Bond_Acceptor_Count	2
74328	Structure_Complexity	106
7158	Undefined_Bond_Stereo_Count	0
35455	Rotatable_Bond_Count	4
143466591	Molecular_Weight	101.15
165708195	Rotatable_Bond_Count	3
21617086	TPSA	50.1
76661607	Defined_Bond_Stereo_Count	0
65565	Total_Formal_Charge	0
321710	Total_Formal_Charge	0
73162904	Defined_Bond_Stereo_Count	0
119835	Undefined_Atom_Stereo_Count	5
21894213	Defined_Bond_Stereo_Count	0
11779028	Rotatable_Bond_Count	2
441382	Isotope_Atom_Count	0
21880519	Undefined_Bond_Stereo_Count	0
123	Hydrogen_Bond_Acceptor_Count	2
99080	Defined_Bond_Stereo_Count	0
43997	Defined_Bond_Stereo_Count	0
17806	XLogP3-AA	3.5
119097556	Undefined_Bond_Stereo_Count	0
2788	XLogP3	3.5
6452481	Defined_Bond_Stereo_Count	0
14781907	Undefined_Bond_Stereo_Count	0
3563	Non-hydrogen_Atom_Count	23
71469	Molecular_Weight	1092.2
147895	Hydrogen_Bond_Donor_Count	4
139771583	Structure_Complexity	118
15951489	Isotope_Atom_Count	0
13159184	Undefined_Atom_Stereo_Count	1
11446306	Covalent_Unit_Count	1
67435898	Total_Formal_Charge	0
65575055	Hydrogen_Bond_Acceptor_Count	1
5254725	XLogP3-AA	1.9
191841	Total_Formal_Charge	0
57242	Exact_Mass	246.18444672
54594622	Defined_Bond_Stereo_Count	0
5250507	Non-hydrogen_Atom_Count	16
41017	Undefined_Atom_Stereo_Count	0
11170934	XLogP3-AA	0.7
15945857	Exact_Mass	387.16952493
20111961	TPSA	38.8
347590	Hydrogen_Bond_Donor_Count	1
11754394	Exact_Mass	468.18312656
79127	Mono_Isotopic_Weight	108.093900383
20137	Structure_Complexity	72.1
137673	Hydrogen_Bond_Donor_Count	0
38260	Structure_Complexity	977
24200857	TPSA	3.2
24360	Total_Formal_Charge	0
10877967	Non-hydrogen_Atom_Count	11
498650	Total_Formal_Charge	0
78361	Undefined_Atom_Stereo_Count	0
45357563	Exact_Mass	406.21555225
8742	Total_Formal_Charge	0
11651197	Hydrogen_Bond_Acceptor_Count	4
649230	Molecular_Weight	424.4
53424410	Total_Formal_Charge	0
25171662	TPSA	117
11235541	Hydrogen_Bond_Acceptor_Count	7
17313	Molecular_Weight	148.63
18600	Exact_Mass	458.060754
101675604	Tautomer_Count	4
236666	Isotope_Atom_Count	0
7124	Molecular_Weight	173.17
194774	Undefined_Atom_Stereo_Count	0
19077501	Defined_Atom_Stereo_Count	0
72165	Exact_Mass	284.152477885
18732	Molecular_Weight	188.09
5357	Molecular_Weight	354.5
73413214	TPSA	29.5
24472	Defined_Atom_Stereo_Count	0
2342	Structure_Complexity	582
50993725	Defined_Bond_Stereo_Count	0
27967	Isotope_Atom_Count	0
21122	Undefined_Atom_Stereo_Count	0
107400	Total_Formal_Charge	0
3478	Rotatable_Bond_Count	7
183809	Rotatable_Bond_Count	4
10149288	Non-hydrogen_Atom_Count	18
11101	Isotope_Atom_Count	0
20054871	Undefined_Atom_Stereo_Count	0
26690	Mono_Isotopic_Weight	199.193614421
44152553	Hydrogen_Bond_Acceptor_Count	5
4543	Tautomer_Count	1
76288	Covalent_Unit_Count	1
147707442	TPSA	190
66683197	Undefined_Atom_Stereo_Count	1
1047	Defined_Atom_Stereo_Count	0
53728104	Undefined_Bond_Stereo_Count	0
5319879	Exact_Mass	356.29265975
642163	Defined_Atom_Stereo_Count	1
6533	Rotatable_Bond_Count	8
20442	TPSA	156
5997	Mono_Isotopic_Weight	386.354866087
131954443	Total_Formal_Charge	0
8857	TPSA	26.3
5363548	Undefined_Atom_Stereo_Count	0
11105310	Defined_Bond_Stereo_Count	0
439377	Exact_Mass	161.06880783
23727981	Molecular_Weight	241.25
51947	Exact_Mass	376.09977
15321731	TPSA	24.1
191841	Exact_Mass	376.308978523
12976	Rotatable_Bond_Count	1
63022	Rotatable_Bond_Count	3
2884	Structure_Complexity	1930
3205	Molecular_Weight	478.6
137240373	Total_Formal_Charge	0
89000581	Molecular_Weight	180.16
1549237	Defined_Bond_Stereo_Count	2
9889823	Hydrogen_Bond_Donor_Count	2
24848271	Molecular_Weight	256.36
458186	TPSA	57.5
126011	XLogP3	0.7
65604	XLogP3-AA	10.7
3243	Hydrogen_Bond_Acceptor_Count	2
54757520	Isotope_Atom_Count	0
70014	Hydrogen_Bond_Acceptor_Count	4
7031	Non-hydrogen_Atom_Count	20
60285	Undefined_Atom_Stereo_Count	0
3078519	Rotatable_Bond_Count	2
3246390	TPSA	93.4
124524088	Covalent_Unit_Count	1
11930	Exact_Mass	306.140850574
13138	Covalent_Unit_Count	1
3082780	Hydrogen_Bond_Acceptor_Count	2
7579	TPSA	61.3
42580060	Non-hydrogen_Atom_Count	23
86213522	Hydrogen_Bond_Acceptor_Count	0
5948	Covalent_Unit_Count	1
11538455	Defined_Atom_Stereo_Count	0
5478986	Defined_Bond_Stereo_Count	0
1466	Hydrogen_Bond_Donor_Count	2
104775	Undefined_Bond_Stereo_Count	0
71305057	Total_Formal_Charge	0
1486	Undefined_Bond_Stereo_Count	0
11033	TPSA	124
44299	Defined_Bond_Stereo_Count	0
78747	Molecular_Weight	95.10
123752006	Total_Formal_Charge	0
23328892	Non-hydrogen_Atom_Count	8
58137106	XLogP3-AA	1.3
77757	Isotope_Atom_Count	0
3427	Structure_Complexity	382
44453028	Exact_Mass	534.21547206
5288564	Isotope_Atom_Count	0
1189	Hydrogen_Bond_Donor_Count	5
8809	Undefined_Bond_Stereo_Count	0
90777230	Molecular_Weight	114.10
70265544	XLogP3-AA	1.2
26035	XLogP3	4.3
17963363	Defined_Bond_Stereo_Count	0
5355732	Hydrogen_Bond_Donor_Count	0
6950306	Defined_Atom_Stereo_Count	1
25023855	Isotope_Atom_Count	0
163722493	Isotope_Atom_Count	0
68193	Rotatable_Bond_Count	1
5156	Undefined_Bond_Stereo_Count	0
87714328	Rotatable_Bond_Count	2
59777381	Non-hydrogen_Atom_Count	8
86256506	Exact_Mass	101.047678466
68741375	Undefined_Bond_Stereo_Count	0
3032296	Undefined_Atom_Stereo_Count	0
61207	Total_Formal_Charge	0
102515088	Hydrogen_Bond_Acceptor_Count	6
10898949	Total_Formal_Charge	0
20033044	Defined_Atom_Stereo_Count	0
3001662	Rotatable_Bond_Count	4
54133029	Exact_Mass	113.047678466
69362	Exact_Mass	118.062994177
63089	Hydrogen_Bond_Donor_Count	0
5365589	Undefined_Bond_Stereo_Count	0
5964319	Defined_Bond_Stereo_Count	1
2723704	Mono_Isotopic_Weight	90.02516937
5283853	TPSA	98
129696858	Hydrogen_Bond_Acceptor_Count	8
12289998	Non-hydrogen_Atom_Count	8
24875236	Mono_Isotopic_Weight	363.14839556
661093	Isotope_Atom_Count	0
32345	Isotope_Atom_Count	0
140738	Molecular_Weight	114.19
13889162	Defined_Bond_Stereo_Count	0
70813	Mono_Isotopic_Weight	216.00674260
6399027	Exact_Mass	115.026943022
165598	Tautomer_Count	2
71305059	Isotope_Atom_Count	0
50925541	Mono_Isotopic_Weight	405.1277759
284024	Undefined_Atom_Stereo_Count	1
23985	Defined_Atom_Stereo_Count	0
4195	Undefined_Bond_Stereo_Count	0
643990	Structure_Complexity	1320
656980	Structure_Complexity	146
13379559	Defined_Atom_Stereo_Count	0
14227	Total_Formal_Charge	0
138113415	Mono_Isotopic_Weight	765.42004509
86956	Covalent_Unit_Count	1
6977166	Hydrogen_Bond_Acceptor_Count	1
165995893	Isotope_Atom_Count	0
443380	Undefined_Bond_Stereo_Count	0
15123308	Hydrogen_Bond_Donor_Count	1
11593	Structure_Complexity	106
38409	Hydrogen_Bond_Donor_Count	1
121877	Total_Formal_Charge	0
59761113	Non-hydrogen_Atom_Count	7
103032	Undefined_Atom_Stereo_Count	1
122824	Covalent_Unit_Count	2
107901	Undefined_Atom_Stereo_Count	0
139099	Defined_Atom_Stereo_Count	0
110373	Total_Formal_Charge	0
15418402	Rotatable_Bond_Count	0
248580	TPSA	29.1
122903	Defined_Bond_Stereo_Count	0
131673820	Structure_Complexity	958
236566	Defined_Atom_Stereo_Count	0
9570376	Hydrogen_Bond_Acceptor_Count	4
3566445	Mono_Isotopic_Weight	94.98029013
123870986	Non-hydrogen_Atom_Count	7
60196404	Covalent_Unit_Count	2
149164152	Structure_Complexity	136
9809002	Hydrogen_Bond_Acceptor_Count	6
48883	Mono_Isotopic_Weight	356.1283001
5064	Mono_Isotopic_Weight	244.08076950
90479783	Structure_Complexity	528
79441	Total_Formal_Charge	0
5481173	XLogP3	0.4
3032396	Hydrogen_Bond_Acceptor_Count	12
146158340	Non-hydrogen_Atom_Count	36
612499	Molecular_Weight	260.30
6437358	Structure_Complexity	1210
124770286	Mono_Isotopic_Weight	665.30474055
15054176	Undefined_Atom_Stereo_Count	0
13691769	Mono_Isotopic_Weight	188.03342538
5280906	Exact_Mass	335.17327290
11673085	Defined_Atom_Stereo_Count	1
57398257	Total_Formal_Charge	0
68321854	Isotope_Atom_Count	0
42512	Covalent_Unit_Count	1
158729741	Mono_Isotopic_Weight	125.04523368
89416	Defined_Bond_Stereo_Count	0
87163	Defined_Bond_Stereo_Count	0
8823	Isotope_Atom_Count	0
17587	Undefined_Bond_Stereo_Count	0
10953453	XLogP3-AA	0.4
132399083	Hydrogen_Bond_Donor_Count	7
78739	Hydrogen_Bond_Acceptor_Count	2
435459	Tautomer_Count	1
723	Covalent_Unit_Count	1
16212746	Defined_Bond_Stereo_Count	0
16051995	Non-hydrogen_Atom_Count	53
40703	Undefined_Bond_Stereo_Count	0
10898650	Non-hydrogen_Atom_Count	8
44214615	Mono_Isotopic_Weight	229.0173527
10235	Isotope_Atom_Count	0
6850729	Isotope_Atom_Count	0
76519	Isotope_Atom_Count	0
3209	Isotope_Atom_Count	0
66537	Defined_Bond_Stereo_Count	0
490561	Structure_Complexity	977
96457	Molecular_Weight	117.11
9915743	Defined_Bond_Stereo_Count	1
188802	Non-hydrogen_Atom_Count	22
165437289	Undefined_Atom_Stereo_Count	2
10707	Total_Formal_Charge	0
45116623	Total_Formal_Charge	0
57461895	Defined_Bond_Stereo_Count	0
91474	Hydrogen_Bond_Donor_Count	1
26956	Defined_Bond_Stereo_Count	0
5458589	Covalent_Unit_Count	2
448503	Mono_Isotopic_Weight	118.098037015
67137411	Molecular_Weight	111.06
542556	Undefined_Atom_Stereo_Count	0
442372	Undefined_Bond_Stereo_Count	0
304590	Undefined_Atom_Stereo_Count	0
378443	Hydrogen_Bond_Donor_Count	0
5282183	Undefined_Bond_Stereo_Count	0
54054	Molecular_Weight	399.5
13619723	Hydrogen_Bond_Acceptor_Count	1
4659387	Defined_Atom_Stereo_Count	0
10376445	Hydrogen_Bond_Acceptor_Count	2
57131886	Hydrogen_Bond_Acceptor_Count	1
5460188	Exact_Mass	304.276615768
8418	Isotope_Atom_Count	0
3779	Hydrogen_Bond_Acceptor_Count	4
153903	Molecular_Weight	110.11
152199271	Exact_Mass	112.088815002
9861147	Non-hydrogen_Atom_Count	22
6914657	Hydrogen_Bond_Acceptor_Count	3
5413	Hydrogen_Bond_Acceptor_Count	0
16376	Non-hydrogen_Atom_Count	8
9549284	Hydrogen_Bond_Donor_Count	2
108218	Exact_Mass	220.05177804
15757501	Molecular_Weight	109.13
44349142	Total_Formal_Charge	0
8361	Isotope_Atom_Count	0
84731066	Covalent_Unit_Count	1
754	Undefined_Atom_Stereo_Count	1
441346	Molecular_Weight	420.5
108850	Total_Formal_Charge	0
21783	Hydrogen_Bond_Acceptor_Count	4
18851	Undefined_Atom_Stereo_Count	1
14200416	Mono_Isotopic_Weight	114.104465066
441923	Isotope_Atom_Count	0
7017816	Structure_Complexity	88.5
60196286	Undefined_Atom_Stereo_Count	0
147684232	Defined_Atom_Stereo_Count	0
23	Hydrogen_Bond_Donor_Count	3
55286809	Non-hydrogen_Atom_Count	8
20136721	Structure_Complexity	108
200103	Exact_Mass	498.992710
5488036	Hydrogen_Bond_Acceptor_Count	11
7762	Hydrogen_Bond_Donor_Count	0
969516	TPSA	93.1
25715	Hydrogen_Bond_Acceptor_Count	9
9765	Exact_Mass	182.01064
10772937	Isotope_Atom_Count	0
60121	XLogP3-AA	2.9
60189	Molecular_Weight	286.37
12621600	Exact_Mass	70.041864811
84420187	Rotatable_Bond_Count	1
57394197	Exact_Mass	494.21403277
1548900	Covalent_Unit_Count	1
92155	Isotope_Atom_Count	0
102601816	TPSA	110
37049	Structure_Complexity	689
18361854	Total_Formal_Charge	0
137699107	Structure_Complexity	329
11241	Tautomer_Count	1
38031	Non-hydrogen_Atom_Count	15
41632	Non-hydrogen_Atom_Count	20
39184	Undefined_Atom_Stereo_Count	0
866430	Rotatable_Bond_Count	3
3811100	Tautomer_Count	2
135421783	Molecular_Weight	895.9
216454	TPSA	65.2
447021	Hydrogen_Bond_Acceptor_Count	7
6080476	Undefined_Atom_Stereo_Count	1
10419	Rotatable_Bond_Count	0
54377545	Mono_Isotopic_Weight	99.068413911
12599323	Molecular_Weight	104.15
1991	Undefined_Bond_Stereo_Count	0
87098264	Undefined_Bond_Stereo_Count	0
263077	Rotatable_Bond_Count	2
56929	Mono_Isotopic_Weight	546.42481153
2320	Undefined_Bond_Stereo_Count	1
87367	Hydrogen_Bond_Acceptor_Count	5
6915944	Mono_Isotopic_Weight	395.03581088
57267838	Hydrogen_Bond_Acceptor_Count	2
16599	Non-hydrogen_Atom_Count	33
13197669	Hydrogen_Bond_Donor_Count	1
134338399	Covalent_Unit_Count	1
54071	Rotatable_Bond_Count	5
69912	TPSA	43.1
9865961	Covalent_Unit_Count	1
12746998	Isotope_Atom_Count	0
163316	Tautomer_Count	2
55840	TPSA	67.6
3927	Isotope_Atom_Count	0
85779440	Hydrogen_Bond_Donor_Count	0
441415	Undefined_Bond_Stereo_Count	0
68410	TPSA	40.5
543879	Hydrogen_Bond_Acceptor_Count	1
87595695	Exact_Mass	100.100048391
721137	Rotatable_Bond_Count	5
24906324	Covalent_Unit_Count	1
534496	Hydrogen_Bond_Donor_Count	0
210172	Mono_Isotopic_Weight	457.1898973
91505	Undefined_Atom_Stereo_Count	1
667449	XLogP3	2.9
15942890	Undefined_Bond_Stereo_Count	0
12220383	Isotope_Atom_Count	0
57396214	Hydrogen_Bond_Acceptor_Count	5
118984457	TPSA	2570
66071	Mono_Isotopic_Weight	88.100048391
4912	TPSA	91.1
52949465	Rotatable_Bond_Count	8
25058166	Hydrogen_Bond_Donor_Count	7
130149197	Hydrogen_Bond_Donor_Count	1
57110036	Hydrogen_Bond_Donor_Count	1
102358067	TPSA	50.8
57564	Defined_Bond_Stereo_Count	0
6427079	Total_Formal_Charge	0
23566493	Total_Formal_Charge	0
4416	Undefined_Bond_Stereo_Count	0
12604	Undefined_Atom_Stereo_Count	0
156144	Covalent_Unit_Count	1
154914	Undefined_Atom_Stereo_Count	0
13019050	Non-hydrogen_Atom_Count	30
70713	Molecular_Weight	85.10
12685	Non-hydrogen_Atom_Count	9
131954786	Molecular_Weight	3357.9
151173	Undefined_Bond_Stereo_Count	0
67089	Undefined_Bond_Stereo_Count	0
133741	TPSA	52.6
20587930	XLogP3-AA	0.2
1892	Exact_Mass	224.09094026
134689013	Mono_Isotopic_Weight	332.23514488
7474	TPSA	45.8
911	Hydrogen_Bond_Acceptor_Count	4
84878	Total_Formal_Charge	1
72589	Total_Formal_Charge	0
946	Rotatable_Bond_Count	0
21809017	Hydrogen_Bond_Donor_Count	0
12430063	Rotatable_Bond_Count	0
11589054	Undefined_Bond_Stereo_Count	0
9571	Defined_Bond_Stereo_Count	0
637520	Defined_Bond_Stereo_Count	1
8009	XLogP3	0.4
13460228	Isotope_Atom_Count	0
57358854	Exact_Mass	295.09245548
138378	Total_Formal_Charge	0
84733	Defined_Atom_Stereo_Count	0
186044	Rotatable_Bond_Count	1
59401	Hydrogen_Bond_Acceptor_Count	4
1374121	XLogP3-AA	4.3
5702546	Defined_Atom_Stereo_Count	8
71778	Defined_Atom_Stereo_Count	0
6917698	Defined_Atom_Stereo_Count	2
68975085	Hydrogen_Bond_Donor_Count	2
160554	Non-hydrogen_Atom_Count	13
54692950	TPSA	194
12688	Covalent_Unit_Count	1
145755	TPSA	77.8
122360911	Hydrogen_Bond_Acceptor_Count	6
34296	Undefined_Bond_Stereo_Count	0
8528	Molecular_Weight	335.4
73700849	Undefined_Atom_Stereo_Count	0
42609805	Undefined_Atom_Stereo_Count	0
9938	XLogP3	3.2
91986	Mono_Isotopic_Weight	187.9795702
5352693	Total_Formal_Charge	0
20658615	Undefined_Atom_Stereo_Count	0
749823	Defined_Bond_Stereo_Count	0
53763878	Isotope_Atom_Count	0
518964	Hydrogen_Bond_Donor_Count	0
89576915	Structure_Complexity	120
14344952	Isotope_Atom_Count	0
6324671	Hydrogen_Bond_Acceptor_Count	12
3127	XLogP3	2.4
6604042	Structure_Complexity	198
12444324	Undefined_Atom_Stereo_Count	0
137264	Defined_Bond_Stereo_Count	0
10526	Defined_Atom_Stereo_Count	5
11669698	Covalent_Unit_Count	1
24184393	Undefined_Bond_Stereo_Count	0
17954	Mono_Isotopic_Weight	285.13649347
64937	Defined_Atom_Stereo_Count	0
16119814	Undefined_Atom_Stereo_Count	0
5460044	Tautomer_Count	1
88888	Hydrogen_Bond_Acceptor_Count	1
11314197	Isotope_Atom_Count	0
47445	Hydrogen_Bond_Donor_Count	2
36573	Hydrogen_Bond_Acceptor_Count	4
54761	Rotatable_Bond_Count	9
688009	Rotatable_Bond_Count	3
15088	Molecular_Weight	194.18
2723790	Molecular_Weight	76.12
158693	Undefined_Bond_Stereo_Count	0
126664809	Total_Formal_Charge	0
12149454	Molecular_Weight	310.37
4382	Undefined_Atom_Stereo_Count	0
57560	Total_Formal_Charge	0
13416	TPSA	20.2
25001849	Hydrogen_Bond_Acceptor_Count	9
9462	Defined_Atom_Stereo_Count	0
11545	Covalent_Unit_Count	2
329061	Rotatable_Bond_Count	4
23688957	Structure_Complexity	46.8
54173839	XLogP3-AA	2.1
7892	XLogP3-AA	3.2
125368	Hydrogen_Bond_Acceptor_Count	2
23525700	Hydrogen_Bond_Donor_Count	1
6918678	Mono_Isotopic_Weight	361.12738533
10267079	Total_Formal_Charge	0
17937355	TPSA	29.5
139820	Undefined_Atom_Stereo_Count	1
11815299	Structure_Complexity	32.9
9955951	Isotope_Atom_Count	0
132367	Molecular_Weight	232.23
144404363	Structure_Complexity	102
95640	Tautomer_Count	1
8418	Undefined_Bond_Stereo_Count	0
2734164	Isotope_Atom_Count	0
53807546	TPSA	26
5459211	Hydrogen_Bond_Acceptor_Count	12
8077	Defined_Bond_Stereo_Count	0
5553	Isotope_Atom_Count	0
98266	Defined_Bond_Stereo_Count	0
19063	Isotope_Atom_Count	0
440784	Exact_Mass	590.31043507
11170867	Tautomer_Count	1000
22939741	Defined_Atom_Stereo_Count	0
19127	Defined_Atom_Stereo_Count	0
12441297	Mono_Isotopic_Weight	104.037448136
21809327	Isotope_Atom_Count	0
71751164	Isotope_Atom_Count	0
8449	Undefined_Bond_Stereo_Count	0
131668620	Undefined_Bond_Stereo_Count	5
68745	XLogP3-AA	5.1
8070	Covalent_Unit_Count	1
289539	Mono_Isotopic_Weight	113.047678466
14786268	Structure_Complexity	94.7
65493	Defined_Atom_Stereo_Count	0
13193732	Molecular_Weight	111.14
53405	Hydrogen_Bond_Donor_Count	2
10972974	Undefined_Bond_Stereo_Count	0
15575641	Structure_Complexity	138
135524781	Defined_Atom_Stereo_Count	0
145842551	Structure_Complexity	114
137942834	Molecular_Weight	101.15
155143	Rotatable_Bond_Count	10
5281575	Isotope_Atom_Count	0
123645524	Non-hydrogen_Atom_Count	85
60196321	Covalent_Unit_Count	2
59514	Isotope_Atom_Count	0
5356697	Molecular_Weight	82.10
21130160	Structure_Complexity	88.4
59894	Defined_Bond_Stereo_Count	0
12290	Non-hydrogen_Atom_Count	7
44338773	XLogP3-AA	3.1
10297982	Hydrogen_Bond_Donor_Count	3
295258	Isotope_Atom_Count	0
75777	Hydrogen_Bond_Donor_Count	0
9875516	Defined_Atom_Stereo_Count	7
94310	Mono_Isotopic_Weight	234.161979940
2746	Covalent_Unit_Count	1
91298633	Hydrogen_Bond_Donor_Count	1
62092	Hydrogen_Bond_Donor_Count	0
7922	Total_Formal_Charge	0
79069	Tautomer_Count	1
177870	Hydrogen_Bond_Donor_Count	1
17541	Undefined_Atom_Stereo_Count	0
135347950	Undefined_Bond_Stereo_Count	0
4306558	Exact_Mass	667.19365419
158536	Defined_Atom_Stereo_Count	0
5354035	Hydrogen_Bond_Donor_Count	1
84878	Undefined_Bond_Stereo_Count	0
69589310	Mono_Isotopic_Weight	114.104465066
76013	Undefined_Atom_Stereo_Count	0
511883	Total_Formal_Charge	0
636377	Structure_Complexity	780
29691	Undefined_Atom_Stereo_Count	0
44134379	Molecular_Weight	364.9
9614919	Isotope_Atom_Count	0
738033	Total_Formal_Charge	0
295275	Defined_Bond_Stereo_Count	0
123134056	Covalent_Unit_Count	2
5369129	Hydrogen_Bond_Donor_Count	0
25100590	Undefined_Bond_Stereo_Count	0
5702065	Hydrogen_Bond_Acceptor_Count	4
419176	Defined_Atom_Stereo_Count	0
3732019	Defined_Bond_Stereo_Count	0
89737	Total_Formal_Charge	0
6420010	Undefined_Bond_Stereo_Count	0
65399	Total_Formal_Charge	0
34624	Hydrogen_Bond_Donor_Count	0
11073348	Isotope_Atom_Count	0
7313	Tautomer_Count	1
77050446	Undefined_Atom_Stereo_Count	0
223407	Isotope_Atom_Count	0
53316418	Mono_Isotopic_Weight	384.99109039
423438	Covalent_Unit_Count	2
6438372	Covalent_Unit_Count	1
8283	Defined_Atom_Stereo_Count	0
165491	Mono_Isotopic_Weight	665.10096317
349957	Molecular_Weight	330.2
11639	Structure_Complexity	4.8
69351	Non-hydrogen_Atom_Count	13
447546	Non-hydrogen_Atom_Count	33
10350561	Covalent_Unit_Count	1
10415	TPSA	12
10013505	Defined_Bond_Stereo_Count	0
450268	Tautomer_Count	6
22639586	TPSA	38
66008	Structure_Complexity	274
13765439	Molecular_Weight	163.20
10090208	Structure_Complexity	530
20601501	Rotatable_Bond_Count	2
55482	Structure_Complexity	593
3506	Rotatable_Bond_Count	12
80715	Structure_Complexity	262
4290	Molecular_Weight	308.33
11223	Covalent_Unit_Count	2
91612585	Non-hydrogen_Atom_Count	8
22242539	Defined_Bond_Stereo_Count	0
11597697	Undefined_Atom_Stereo_Count	0
224392	Hydrogen_Bond_Donor_Count	1
12364784	Undefined_Bond_Stereo_Count	0
2723650	Isotope_Atom_Count	0
22447183	Isotope_Atom_Count	0
963699	Total_Formal_Charge	0
6326	Rotatable_Bond_Count	0
5460307	Undefined_Atom_Stereo_Count	0
6909	Exact_Mass	230.900524
92044408	Defined_Atom_Stereo_Count	13
69763756	Covalent_Unit_Count	1
279062	Molecular_Weight	285.25
578771	Undefined_Bond_Stereo_Count	0
10267	Rotatable_Bond_Count	6
10255142	Covalent_Unit_Count	2
86632359	Hydrogen_Bond_Donor_Count	0
68044	Total_Formal_Charge	0
852	Undefined_Atom_Stereo_Count	2
5486209	Molecular_Weight	197.24
21307	Defined_Atom_Stereo_Count	0
44520830	Covalent_Unit_Count	1
131704316	Hydrogen_Bond_Acceptor_Count	10
18719616	Hydrogen_Bond_Acceptor_Count	3
7764	Tautomer_Count	1
185654	Undefined_Atom_Stereo_Count	0
45266503	Defined_Bond_Stereo_Count	0
5460822	Non-hydrogen_Atom_Count	13
10171288	Isotope_Atom_Count	0
561193	XLogP3-AA	1.3
12302654	Rotatable_Bond_Count	4
51341966	Exact_Mass	265.972503
56556	Rotatable_Bond_Count	6
22226235	Defined_Atom_Stereo_Count	0
239760	Rotatable_Bond_Count	3
14546	Mono_Isotopic_Weight	215.9744848
54311466	Mono_Isotopic_Weight	103.063328530
11701820	Defined_Atom_Stereo_Count	0
11319223	Structure_Complexity	691
118984465	Molecular_Weight	749.9
5282452	Mono_Isotopic_Weight	421.16893641
5281082	Molecular_Weight	643.7
489129	Exact_Mass	348.17616766
49830590	Rotatable_Bond_Count	6
9839243	Tautomer_Count	80
5367784	XLogP3	9.2
5650	Non-hydrogen_Atom_Count	32
23665647	Mono_Isotopic_Weight	112.02904639
13276908	Exact_Mass	97.052763847
5464344	Defined_Atom_Stereo_Count	3
19676	Total_Formal_Charge	0
16040270	Non-hydrogen_Atom_Count	14
16796	Covalent_Unit_Count	1
69644	Defined_Bond_Stereo_Count	0
21523541	Mono_Isotopic_Weight	106.078250319
54114222	Undefined_Atom_Stereo_Count	1
6918203	Tautomer_Count	1
13008	Undefined_Atom_Stereo_Count	0
73292	Tautomer_Count	3
11954230	Mono_Isotopic_Weight	364.1376123
10727	Hydrogen_Bond_Donor_Count	0
522007	Mono_Isotopic_Weight	102.104465066
77011628	Covalent_Unit_Count	1
122670	Mono_Isotopic_Weight	159.079647300
637563	Defined_Bond_Stereo_Count	1
101348253	Exact_Mass	192.126263138
12967	Exact_Mass	117.053826475
8310	Non-hydrogen_Atom_Count	20
527568	Molecular_Weight	94.15
92879	Rotatable_Bond_Count	6
609	Non-hydrogen_Atom_Count	16
57402652	Exact_Mass	349.0339557
216262	Molecular_Weight	399.5
6447131	Hydrogen_Bond_Donor_Count	2
143321	TPSA	0
7915	Rotatable_Bond_Count	2
2453568	Defined_Bond_Stereo_Count	0
10831	Tautomer_Count	4
759785	TPSA	114
135398727	Tautomer_Count	9
3083	Non-hydrogen_Atom_Count	37
15981895	Hydrogen_Bond_Acceptor_Count	8
53664307	Non-hydrogen_Atom_Count	7
20312691	TPSA	53.3
3733	TPSA	154
24748573	Molecular_Weight	349.8
78407	Covalent_Unit_Count	1
21658180	Non-hydrogen_Atom_Count	73
1707	Isotope_Atom_Count	0
97868	Defined_Bond_Stereo_Count	0
5352	Mono_Isotopic_Weight	356.08824374
39622	Structure_Complexity	529
8720	Mono_Isotopic_Weight	176.92948127
90469695	TPSA	198
23161665	Undefined_Atom_Stereo_Count	2
12962	TPSA	46.3
663894	Structure_Complexity	667
6438373	Isotope_Atom_Count	0
65489	Isotope_Atom_Count	0
52885	Hydrogen_Bond_Acceptor_Count	3
54688	Structure_Complexity	1190
2640	Hydrogen_Bond_Donor_Count	3
77064	Hydrogen_Bond_Acceptor_Count	2
49865859	XLogP3-AA	3.5
15816	Exact_Mass	216.13615911
4235600	TPSA	52
13408099	TPSA	52.3
104799	Exact_Mass	315.0750854
95391	Hydrogen_Bond_Donor_Count	0
5377410	Defined_Atom_Stereo_Count	0
16211197	Exact_Mass	150.06405680
42227	Mono_Isotopic_Weight	469.29405673
69503325	Rotatable_Bond_Count	0
10657742	Total_Formal_Charge	0
70789197	Defined_Bond_Stereo_Count	0
123612613	Non-hydrogen_Atom_Count	8
11457675	Rotatable_Bond_Count	3
67258704	TPSA	35.3
9115	Hydrogen_Bond_Donor_Count	0
16005262	Isotope_Atom_Count	0
16726085	Total_Formal_Charge	0
246476	Structure_Complexity	496
398592	XLogP3-AA	1.2
54594622	Total_Formal_Charge	0
139086367	Mono_Isotopic_Weight	392.09022504
10221	Hydrogen_Bond_Donor_Count	1
56665393	Defined_Atom_Stereo_Count	0
47294	Hydrogen_Bond_Acceptor_Count	4
16722832	Rotatable_Bond_Count	8
92395	Defined_Atom_Stereo_Count	0
31418	Defined_Atom_Stereo_Count	0
16441	Covalent_Unit_Count	1
54175	Covalent_Unit_Count	2
119086018	Defined_Atom_Stereo_Count	0
22833874	Undefined_Bond_Stereo_Count	0
23695542	TPSA	74.8
22556	Hydrogen_Bond_Acceptor_Count	1
55886	Undefined_Atom_Stereo_Count	0
60966	Exact_Mass	91.099714038
53859	Structure_Complexity	416
124838013	Rotatable_Bond_Count	11
10132189	TPSA	61
20549002	Hydrogen_Bond_Donor_Count	0
6919055	Total_Formal_Charge	1
55910	Hydrogen_Bond_Donor_Count	2
12933280	Undefined_Bond_Stereo_Count	0
10261065	Rotatable_Bond_Count	0
57082	Hydrogen_Bond_Acceptor_Count	4
84179	Mono_Isotopic_Weight	163.099714038
2764407	Defined_Atom_Stereo_Count	0
36190	Covalent_Unit_Count	1
4707	Undefined_Bond_Stereo_Count	0
453958	Hydrogen_Bond_Acceptor_Count	3
71455340	Undefined_Atom_Stereo_Count	1
96770	Molecular_Weight	236.22
8757	Structure_Complexity	25.5
18728	Undefined_Atom_Stereo_Count	4
5488186	Non-hydrogen_Atom_Count	17
3687	Hydrogen_Bond_Donor_Count	3
167266	Defined_Bond_Stereo_Count	0
71459166	Undefined_Bond_Stereo_Count	0
51577	Covalent_Unit_Count	1
53465	Hydrogen_Bond_Donor_Count	0
10218	Exact_Mass	466.28315770
74041115	Covalent_Unit_Count	1
135403802	Hydrogen_Bond_Donor_Count	4
14920524	Molecular_Weight	111.10
18323	TPSA	119
9641	Non-hydrogen_Atom_Count	14
3294	Hydrogen_Bond_Acceptor_Count	4
11450633	Defined_Bond_Stereo_Count	0
138170	TPSA	0
402827	Structure_Complexity	932
53837146	Rotatable_Bond_Count	3
53384597	Total_Formal_Charge	0
135565940	TPSA	66.8
7000	Isotope_Atom_Count	0
59045964	Structure_Complexity	74.9
444360	Covalent_Unit_Count	1
94213	Non-hydrogen_Atom_Count	12
32681	XLogP3-AA	4.5
15976	Total_Formal_Charge	0
137092	Hydrogen_Bond_Acceptor_Count	1
5193	Undefined_Atom_Stereo_Count	1
22596604	Defined_Bond_Stereo_Count	0
98500	Structure_Complexity	234
9870185	TPSA	90.9
74068	TPSA	50.1
67811115	Non-hydrogen_Atom_Count	8
69245	Rotatable_Bond_Count	0
12544790	Hydrogen_Bond_Acceptor_Count	1
61778	Structure_Complexity	76
86671471	Structure_Complexity	40.7
10290728	Undefined_Bond_Stereo_Count	0
15335183	Total_Formal_Charge	0
58270050	Exact_Mass	111.068413911
3057	Molecular_Weight	478.6
72208264	Rotatable_Bond_Count	0
90019226	Molecular_Weight	103.12
22833295	TPSA	149
580104	Undefined_Atom_Stereo_Count	0
66133	Hydrogen_Bond_Donor_Count	0
119438	Total_Formal_Charge	4
141354627	TPSA	59.4
525424	Covalent_Unit_Count	1
30295	Rotatable_Bond_Count	9
29396	Non-hydrogen_Atom_Count	8
970440	Non-hydrogen_Atom_Count	22
142059572	XLogP3-AA	1.5
1257	Rotatable_Bond_Count	2
82752	Molecular_Weight	398.6
21498	Structure_Complexity	116
18518868	Covalent_Unit_Count	2
4366894	Hydrogen_Bond_Acceptor_Count	0
23618458	Undefined_Atom_Stereo_Count	0
48845	Covalent_Unit_Count	1
7017747	Undefined_Bond_Stereo_Count	0
527	Undefined_Bond_Stereo_Count	0
87642	Molecular_Weight	767.5
60196431	Exact_Mass	360.1259001
24941254	Defined_Bond_Stereo_Count	0
134694358	Defined_Bond_Stereo_Count	0
78630	TPSA	25.8
145768160	Hydrogen_Bond_Donor_Count	0
9548889	Defined_Bond_Stereo_Count	0
15786916	Molecular_Weight	60.03
17754081	Hydrogen_Bond_Donor_Count	4
10877967	Hydrogen_Bond_Donor_Count	0
62739	TPSA	65.7
458821	Hydrogen_Bond_Donor_Count	4
23691965	Hydrogen_Bond_Acceptor_Count	3
2987927	Defined_Atom_Stereo_Count	0
59185552	Covalent_Unit_Count	1
10176589	Hydrogen_Bond_Donor_Count	3
10660	Mono_Isotopic_Weight	469.1880675
938845	Hydrogen_Bond_Donor_Count	0
6222	Covalent_Unit_Count	1
14870212	Defined_Bond_Stereo_Count	0
718449	Defined_Atom_Stereo_Count	1
137699570	Hydrogen_Bond_Donor_Count	6
160508452	Exact_Mass	527.23263824
846942	Isotope_Atom_Count	0
13639781	Molecular_Weight	107.11
6432115	Defined_Atom_Stereo_Count	0
53395363	Defined_Bond_Stereo_Count	0
5568	Defined_Bond_Stereo_Count	0
14572930	Hydrogen_Bond_Donor_Count	0
65746	Hydrogen_Bond_Acceptor_Count	2
5610	Mono_Isotopic_Weight	137.084063974
8437	Non-hydrogen_Atom_Count	23
44392088	Covalent_Unit_Count	1
22062700	Rotatable_Bond_Count	2
66282	Total_Formal_Charge	0
57077963	Undefined_Bond_Stereo_Count	1
88489334	Defined_Bond_Stereo_Count	0
54375073	Defined_Atom_Stereo_Count	0
135347950	Defined_Atom_Stereo_Count	0
19920	Undefined_Bond_Stereo_Count	0
12870589	Isotope_Atom_Count	0
11396	Molecular_Weight	156.22
11650986	Undefined_Atom_Stereo_Count	0
171257	Undefined_Atom_Stereo_Count	0
10103794	TPSA	110
3084447	Mono_Isotopic_Weight	297.1495567
6354	Exact_Mass	44.026214747
92180	Hydrogen_Bond_Donor_Count	2
202792	Hydrogen_Bond_Acceptor_Count	2
118665446	Isotope_Atom_Count	0
688107	Mono_Isotopic_Weight	226.9985354
6537213	Non-hydrogen_Atom_Count	33
56841975	Non-hydrogen_Atom_Count	23
71268957	Total_Formal_Charge	0
82175	XLogP3-AA	4.8
151348	Defined_Atom_Stereo_Count	0
90687044	Molecular_Weight	109.13
123288617	Undefined_Bond_Stereo_Count	0
72679314	Molecular_Weight	378.5
6951129	Exact_Mass	165.115364102
5460887	Hydrogen_Bond_Acceptor_Count	9
49858377	Structure_Complexity	566
41245	Defined_Atom_Stereo_Count	0
139833631	Exact_Mass	107.048347172
60006708	TPSA	21.6
6896	Isotope_Atom_Count	0
239	Structure_Complexity	52.8
143888994	Non-hydrogen_Atom_Count	8
57990869	Hydrogen_Bond_Acceptor_Count	7
439213	TPSA	116
68700720	Hydrogen_Bond_Acceptor_Count	3
93171	Tautomer_Count	1
46204403	Structure_Complexity	77
134820051	XLogP3-AA	2.5
8042	TPSA	26.3
162652	TPSA	93.4
135484551	Hydrogen_Bond_Donor_Count	4
5288252	Total_Formal_Charge	0
10390369	Undefined_Bond_Stereo_Count	0
11979704	Non-hydrogen_Atom_Count	77
50	Total_Formal_Charge	0
763244	Total_Formal_Charge	0
753	Hydrogen_Bond_Donor_Count	3
19935251	Rotatable_Bond_Count	0
20118532	Total_Formal_Charge	0
18212	Structure_Complexity	166
9933991	Non-hydrogen_Atom_Count	3
22081030	Hydrogen_Bond_Donor_Count	0
65287	Undefined_Bond_Stereo_Count	1
56666736	Covalent_Unit_Count	1
12254	Exact_Mass	88.063662883
13721	Tautomer_Count	1
49827815	Mono_Isotopic_Weight	505.31920885
12921228	Undefined_Atom_Stereo_Count	0
22082536	Total_Formal_Charge	0
353481	Mono_Isotopic_Weight	495.16014201
521226	Isotope_Atom_Count	0
181138	Defined_Atom_Stereo_Count	0
53689772	Molecular_Weight	108.10
88533	Hydrogen_Bond_Acceptor_Count	2
134688803	Undefined_Bond_Stereo_Count	0
1946	Covalent_Unit_Count	1
71742706	Molecular_Weight	114.14
3870203	Covalent_Unit_Count	1
10267087	Hydrogen_Bond_Acceptor_Count	5
13639661	Hydrogen_Bond_Donor_Count	1
11188898	Isotope_Atom_Count	0
117188816	TPSA	64.1
528403	TPSA	26
118210121	Isotope_Atom_Count	0
5760	Undefined_Bond_Stereo_Count	0
177084	Defined_Bond_Stereo_Count	0
24728610	Undefined_Bond_Stereo_Count	0
183729	Hydrogen_Bond_Donor_Count	0
129486	Hydrogen_Bond_Donor_Count	0
67502	Undefined_Bond_Stereo_Count	0
3086671	Covalent_Unit_Count	1
45588096	Structure_Complexity	10300
6538998	Rotatable_Bond_Count	10
25715	Covalent_Unit_Count	2
8995	Hydrogen_Bond_Donor_Count	0
110968	Structure_Complexity	52.5
44306490	Undefined_Atom_Stereo_Count	0
21246587	Undefined_Bond_Stereo_Count	0
71339534	Molecular_Weight	472.7
90346255	Hydrogen_Bond_Acceptor_Count	6
44244962	Undefined_Bond_Stereo_Count	0
19460	Defined_Atom_Stereo_Count	0
86222	Undefined_Atom_Stereo_Count	1
6297	Undefined_Atom_Stereo_Count	0
5373773	Hydrogen_Bond_Donor_Count	0
62529	Defined_Atom_Stereo_Count	0
137635	Defined_Atom_Stereo_Count	0
22524140	Molecular_Weight	905.0
60663	Defined_Atom_Stereo_Count	2
9356	Isotope_Atom_Count	0
20814133	Undefined_Bond_Stereo_Count	0
11381	Defined_Atom_Stereo_Count	0
42153	Structure_Complexity	247
9793992	TPSA	104
3097	Isotope_Atom_Count	0
53786721	Rotatable_Bond_Count	0
11263485	Defined_Atom_Stereo_Count	0
81047	Rotatable_Bond_Count	0
135505	Covalent_Unit_Count	1
23335676	Tautomer_Count	3
16224456	Mono_Isotopic_Weight	609.26612791
2736548	Undefined_Bond_Stereo_Count	0
5791	Mono_Isotopic_Weight	275.1288213
22986754	Mono_Isotopic_Weight	112.088815002
10149311	Total_Formal_Charge	0
68015385	TPSA	190
6015	Hydrogen_Bond_Donor_Count	0
71451929	Covalent_Unit_Count	1
5460364	Hydrogen_Bond_Donor_Count	0
6328534	Defined_Atom_Stereo_Count	0
9549284	Defined_Bond_Stereo_Count	1
151170	Defined_Atom_Stereo_Count	0
14283	Hydrogen_Bond_Acceptor_Count	1
15951484	Defined_Atom_Stereo_Count	0
77971	Covalent_Unit_Count	1
46936995	Exact_Mass	246.05045443
79619	TPSA	30
92786	Defined_Bond_Stereo_Count	0
22406051	Undefined_Atom_Stereo_Count	2
118104	XLogP3-AA	0.5
929262	Molecular_Weight	250.38
89811	Covalent_Unit_Count	1
67630	XLogP3-AA	0.8
36382	Rotatable_Bond_Count	5
57358493	Tautomer_Count	36
11964036	Structure_Complexity	1010
220834	Structure_Complexity	199
163600703	Molecular_Weight	113.16
10134976	TPSA	77.5
790	Defined_Bond_Stereo_Count	0
12681848	Mono_Isotopic_Weight	296.17360725
3980	Structure_Complexity	1750
115739	Structure_Complexity	240
18170	Mono_Isotopic_Weight	149.02992040
1353	Hydrogen_Bond_Donor_Count	2
22754947	Non-hydrogen_Atom_Count	13
65763	Rotatable_Bond_Count	7
6124212	XLogP3-AA	1.5
15689	Undefined_Bond_Stereo_Count	0
123173	Mono_Isotopic_Weight	40.0313001276
8141	Undefined_Atom_Stereo_Count	0
16071605	XLogP3-AA	4.3
135987619	Undefined_Atom_Stereo_Count	0
17857	Mono_Isotopic_Weight	170.178298710
91738	Hydrogen_Bond_Donor_Count	1
136081	Tautomer_Count	1
31779	Covalent_Unit_Count	1
62234773	Total_Formal_Charge	0
1201549	Structure_Complexity	340
677	Tautomer_Count	1
6992284	TPSA	31.8
81426	Isotope_Atom_Count	0
53315139	Defined_Atom_Stereo_Count	10
119057560	Isotope_Atom_Count	4
98887	Undefined_Bond_Stereo_Count	0
21932259	Mono_Isotopic_Weight	405.02516722
52945794	Undefined_Bond_Stereo_Count	1
6537152	Covalent_Unit_Count	1
71785	Defined_Bond_Stereo_Count	0
8477	Undefined_Atom_Stereo_Count	0
93009	XLogP3	3.3
6420039	Isotope_Atom_Count	0
5485201	Total_Formal_Charge	0
354578	Covalent_Unit_Count	1
18728307	Covalent_Unit_Count	1
119177	Isotope_Atom_Count	0
5282483	Exact_Mass	506.1173245
12477	XLogP3	2.1
6993773	Mono_Isotopic_Weight	135.104799419
142383	Rotatable_Bond_Count	1
3054741	Isotope_Atom_Count	0
34591	Tautomer_Count	2
138031	Undefined_Bond_Stereo_Count	0
70516989	Non-hydrogen_Atom_Count	7
3003791	TPSA	112
73812	Non-hydrogen_Atom_Count	15
183	Hydrogen_Bond_Donor_Count	9
9962	Total_Formal_Charge	0
3894573	Defined_Atom_Stereo_Count	0
30744	Hydrogen_Bond_Acceptor_Count	5
726944	XLogP3-AA	1.1
11815293	TPSA	43.1
135522261	Covalent_Unit_Count	1
54192233	XLogP3-AA	1.4
7043949	Molecular_Weight	162.19
16329	Undefined_Bond_Stereo_Count	0
9911830	Undefined_Atom_Stereo_Count	0
9325	Hydrogen_Bond_Donor_Count	0
69829	Exact_Mass	96.093900383
14262	Rotatable_Bond_Count	0
46936900	Total_Formal_Charge	0
54682507	Undefined_Bond_Stereo_Count	0
67356	Total_Formal_Charge	0
53326156	Total_Formal_Charge	0
5287851	Hydrogen_Bond_Acceptor_Count	4
422780	Hydrogen_Bond_Donor_Count	2
9899007	Undefined_Atom_Stereo_Count	0
66535	Total_Formal_Charge	0
5461982	Exact_Mass	200.9708
12018	Tautomer_Count	1
13082452	Mono_Isotopic_Weight	114.068079557
27402	Undefined_Bond_Stereo_Count	0
57345538	Covalent_Unit_Count	1
24825253	XLogP3-AA	6.8
95258	XLogP3	1.2
12375133	Covalent_Unit_Count	1
91759533	Isotope_Atom_Count	0
91166722	Total_Formal_Charge	0
124005380	XLogP3-AA	3.1
133083079	Mono_Isotopic_Weight	1825.89989849
547031	Hydrogen_Bond_Donor_Count	2
135449284	Isotope_Atom_Count	0
9579252	Hydrogen_Bond_Acceptor_Count	6
22836366	Non-hydrogen_Atom_Count	12
49170	Tautomer_Count	5
123840	Molecular_Weight	360.9
121207552	TPSA	20.2
25077533	Hydrogen_Bond_Acceptor_Count	16
162246	Mono_Isotopic_Weight	504.32983310
5400866	Isotope_Atom_Count	0
23724510	Total_Formal_Charge	0
8779	Hydrogen_Bond_Donor_Count	0
16606	Undefined_Bond_Stereo_Count	0
7675	Molecular_Weight	123.15
6497	Covalent_Unit_Count	1
19193	Exact_Mass	109.063997236
5330197	Defined_Bond_Stereo_Count	0
4220190	Non-hydrogen_Atom_Count	8
565593	Undefined_Atom_Stereo_Count	0
34458	Defined_Bond_Stereo_Count	0
2899204	TPSA	53
168447	Tautomer_Count	1
61988	XLogP3-AA	1
1505	Total_Formal_Charge	1
11446308	Undefined_Atom_Stereo_Count	0
259821	Non-hydrogen_Atom_Count	10
81643	Defined_Atom_Stereo_Count	0
16760595	Mono_Isotopic_Weight	262.95716241
31953	Undefined_Atom_Stereo_Count	0
51576	Structure_Complexity	352
58206	Undefined_Atom_Stereo_Count	0
24288	TPSA	0
102089288	Undefined_Atom_Stereo_Count	0
54228006	Undefined_Atom_Stereo_Count	0
47289	Tautomer_Count	2
7660	Covalent_Unit_Count	1
10887840	Covalent_Unit_Count	1
57916384	Isotope_Atom_Count	0
139064002	Covalent_Unit_Count	4
6436117	Exact_Mass	594.04097308
20138	Covalent_Unit_Count	1
58528	Hydrogen_Bond_Donor_Count	1
10025615	TPSA	40.5
31369	Hydrogen_Bond_Donor_Count	0
14223	Undefined_Bond_Stereo_Count	0
45878	Covalent_Unit_Count	1
529	Defined_Atom_Stereo_Count	0
11488729	XLogP3-AA	7.1
71971	Tautomer_Count	1
12038941	TPSA	3.9
97041723	Mono_Isotopic_Weight	790.22615588
157727	Undefined_Atom_Stereo_Count	0
74080	Non-hydrogen_Atom_Count	8
45116684	Defined_Atom_Stereo_Count	0
400185	Hydrogen_Bond_Donor_Count	2
94834	Rotatable_Bond_Count	0
2723816	Isotope_Atom_Count	0
18660697	Hydrogen_Bond_Acceptor_Count	9
52940942	Exact_Mass	417.13002593
86821	Undefined_Bond_Stereo_Count	0
83150	Hydrogen_Bond_Acceptor_Count	3
2747993	Undefined_Bond_Stereo_Count	0
93348	Undefined_Atom_Stereo_Count	0
138107735	Molecular_Weight	527.5
77077	Molecular_Weight	176.66
382	Defined_Atom_Stereo_Count	0
558341	Total_Formal_Charge	0
11480819	Mono_Isotopic_Weight	181.06674293
11969542	TPSA	85.4
9579050	Undefined_Bond_Stereo_Count	0
242364	Structure_Complexity	209
126686768	Hydrogen_Bond_Acceptor_Count	2
29637	Non-hydrogen_Atom_Count	13
57185798	Exact_Mass	112.052429494
11083859	Defined_Atom_Stereo_Count	0
25799416	Structure_Complexity	189
24978538	Defined_Bond_Stereo_Count	0
265370	TPSA	20.1
12219138	Exact_Mass	244.06953611
18980	Isotope_Atom_Count	0
101835694	Undefined_Bond_Stereo_Count	0
4989215	Isotope_Atom_Count	0
50483	Covalent_Unit_Count	2
18698713	Total_Formal_Charge	0
160796	Defined_Atom_Stereo_Count	0
123133978	Defined_Atom_Stereo_Count	8
3016416	Total_Formal_Charge	0
18531013	Undefined_Bond_Stereo_Count	0
11619220	Isotope_Atom_Count	0
1664	Defined_Atom_Stereo_Count	0
15109863	Total_Formal_Charge	0
494	Defined_Atom_Stereo_Count	0
133082588	Rotatable_Bond_Count	4
59174488	Structure_Complexity	561
76035516	Exact_Mass	409.215412493
230826	Defined_Atom_Stereo_Count	0
4740	Exact_Mass	278.13789045
1894	Defined_Atom_Stereo_Count	0
12161	TPSA	0
133562729	Mono_Isotopic_Weight	1084.47265329
68862	Covalent_Unit_Count	1
10715582	Molecular_Weight	393.4
24866515	Hydrogen_Bond_Acceptor_Count	7
141168949	Hydrogen_Bond_Donor_Count	0
43838	Hydrogen_Bond_Acceptor_Count	3
4231972	TPSA	59.1
54580	Mono_Isotopic_Weight	500.18442974
50925625	Isotope_Atom_Count	0
23079882	Total_Formal_Charge	0
57484	Molecular_Weight	415.5
70662752	Molecular_Weight	112.17
172285	TPSA	143
16399850	Hydrogen_Bond_Donor_Count	1
15437	Mono_Isotopic_Weight	206.07251349
31075	Undefined_Bond_Stereo_Count	0
1535935	Exact_Mass	132.05349212
73631	Covalent_Unit_Count	1
547738	Undefined_Atom_Stereo_Count	1
95162411	Isotope_Atom_Count	0
20644600	Structure_Complexity	48.1
23210737	Hydrogen_Bond_Acceptor_Count	3
10437166	Undefined_Bond_Stereo_Count	0
7695	Total_Formal_Charge	0
160998	Molecular_Weight	81.80
93303	Exact_Mass	768.42104815
13844112	Undefined_Atom_Stereo_Count	0
71814	Isotope_Atom_Count	0
130659	Total_Formal_Charge	0
159027	Molecular_Weight	127.18
146157761	Defined_Atom_Stereo_Count	3
5459213	Non-hydrogen_Atom_Count	54
136589	Hydrogen_Bond_Acceptor_Count	1
12882458	Covalent_Unit_Count	1
4833	Exact_Mass	614.28930571
445455	Undefined_Atom_Stereo_Count	0
60651	Covalent_Unit_Count	1
5282199	Structure_Complexity	482
138372	Hydrogen_Bond_Acceptor_Count	2
605461	Total_Formal_Charge	0
81426	Undefined_Bond_Stereo_Count	0
10197842	Mono_Isotopic_Weight	163.06669983
44208849	Rotatable_Bond_Count	4
19186	Hydrogen_Bond_Donor_Count	1
3878	Hydrogen_Bond_Donor_Count	2
537329	Total_Formal_Charge	0
13861740	Non-hydrogen_Atom_Count	8
139087380	Undefined_Bond_Stereo_Count	0
307877	Defined_Atom_Stereo_Count	0
8994	Exact_Mass	396.0643624
51399572	Undefined_Bond_Stereo_Count	0
85912645	TPSA	32.8
7240	Mono_Isotopic_Weight	127.0188769
26945	Undefined_Atom_Stereo_Count	0
69253	Structure_Complexity	133
137214744	Molecular_Weight	796.9
16133802	Hydrogen_Bond_Acceptor_Count	41
71812105	Hydrogen_Bond_Acceptor_Count	3
3476	Isotope_Atom_Count	0
7301	Defined_Atom_Stereo_Count	0
8861	Molecular_Weight	109.13
90701	Undefined_Bond_Stereo_Count	0
167305	Exact_Mass	407.9681475
18343309	Exact_Mass	154.98366143
10721	Molecular_Weight	117.15
54561872	Isotope_Atom_Count	0
70684298	Hydrogen_Bond_Acceptor_Count	4
138950	Defined_Atom_Stereo_Count	0
29675	Structure_Complexity	591
11815279	Non-hydrogen_Atom_Count	6
134695341	Structure_Complexity	1550
25127621	Molecular_Weight	395.4
120942	Hydrogen_Bond_Acceptor_Count	7
137321858	Defined_Bond_Stereo_Count	0
821500	Isotope_Atom_Count	0
139089144	Total_Formal_Charge	0
82418959	Hydrogen_Bond_Acceptor_Count	3
87155	Total_Formal_Charge	0
67108443	Rotatable_Bond_Count	6
60966	Undefined_Bond_Stereo_Count	0
57402653	Isotope_Atom_Count	0
11519741	Structure_Complexity	647
5324683	XLogP3-AA	1.3
9931156	XLogP3-AA	2.2
12374	TPSA	40.5
23665583	Defined_Bond_Stereo_Count	1
76008	Undefined_Atom_Stereo_Count	0
16221	Mono_Isotopic_Weight	269.308250248
20691	Hydrogen_Bond_Acceptor_Count	1
9906028	Defined_Atom_Stereo_Count	1
65651	Rotatable_Bond_Count	4
15671	Structure_Complexity	662
656603	Total_Formal_Charge	1
71821	Structure_Complexity	276
16130140	Isotope_Atom_Count	0
78148	Non-hydrogen_Atom_Count	6
54767229	Hydrogen_Bond_Donor_Count	1
3000668	Mono_Isotopic_Weight	305.16270821
77245	Covalent_Unit_Count	1
89152969	Exact_Mass	114.104465066
6434253	Rotatable_Bond_Count	6
54585373	TPSA	87.6
159977	Exact_Mass	297.15896025
62820	Rotatable_Bond_Count	3
54266224	Structure_Complexity	84.1
2426	Isotope_Atom_Count	0
12096001	Defined_Bond_Stereo_Count	2
589615	Molecular_Weight	146.15
11966129	Isotope_Atom_Count	0
46203139	Molecular_Weight	514.4
20759	Mono_Isotopic_Weight	150.068079557
62354	Non-hydrogen_Atom_Count	44
102063093	Defined_Bond_Stereo_Count	0
72652	XLogP3-AA	3.2
4268635	Exact_Mass	152.0392780
32594	Structure_Complexity	128
84106834	Exact_Mass	99.104799419
11316914	Rotatable_Bond_Count	4
84647642	Total_Formal_Charge	0
90859735	Hydrogen_Bond_Donor_Count	0
21474	Exact_Mass	230.105527694
427842	Covalent_Unit_Count	1
44429	Undefined_Bond_Stereo_Count	0
57992081	Rotatable_Bond_Count	5
4779	Mono_Isotopic_Weight	335.09225967
101381993	Mono_Isotopic_Weight	191.02185764
519418	Hydrogen_Bond_Acceptor_Count	1
89785	Hydrogen_Bond_Acceptor_Count	3
69684	Covalent_Unit_Count	1
8557	Covalent_Unit_Count	1
91696191	Non-hydrogen_Atom_Count	14
3103	Undefined_Bond_Stereo_Count	0
71359012	Exact_Mass	110.073164938
4995	Non-hydrogen_Atom_Count	9
15450	Non-hydrogen_Atom_Count	9
66683200	Hydrogen_Bond_Donor_Count	1
14791281	Mono_Isotopic_Weight	180.115029749
59874134	Hydrogen_Bond_Acceptor_Count	1
61186	Rotatable_Bond_Count	3
588352	Rotatable_Bond_Count	7
11967214	Defined_Atom_Stereo_Count	0
44226825	Rotatable_Bond_Count	5
62143	Non-hydrogen_Atom_Count	11
51371222	Hydrogen_Bond_Acceptor_Count	6
736	Defined_Atom_Stereo_Count	0
21158	Molecular_Weight	86.13
99049	Total_Formal_Charge	0
90943273	Hydrogen_Bond_Acceptor_Count	2
140554	Structure_Complexity	95
142566105	Defined_Atom_Stereo_Count	0
227244	Defined_Atom_Stereo_Count	0
119097293	Covalent_Unit_Count	1
69341841	Rotatable_Bond_Count	0
71512	TPSA	26.3
6321	TPSA	64.8
4101	TPSA	13
11186829	Defined_Bond_Stereo_Count	0
12207122	Hydrogen_Bond_Donor_Count	1
71584271	Undefined_Atom_Stereo_Count	0
443716	Rotatable_Bond_Count	0
134867626	TPSA	83.1
223	Defined_Bond_Stereo_Count	0
131632305	Hydrogen_Bond_Acceptor_Count	5
56666341	Total_Formal_Charge	0
21106	Undefined_Bond_Stereo_Count	0
23479	TPSA	12
99143	Hydrogen_Bond_Donor_Count	2
90915228	Undefined_Bond_Stereo_Count	0
4778	Exact_Mass	167.955634
9889841	XLogP3-AA	6.5
76590	Isotope_Atom_Count	0
91284889	Exact_Mass	113.084063974
3721	Molecular_Weight	240.15
31677	Covalent_Unit_Count	1
12406682	Defined_Bond_Stereo_Count	0
12291	Undefined_Bond_Stereo_Count	0
88007	Exact_Mass	1193.05482142
4687	Defined_Atom_Stereo_Count	0
140196487	Molecular_Weight	109.13
11966162	Molecular_Weight	907.7
44176380	Covalent_Unit_Count	3
24946104	Rotatable_Bond_Count	7
34574	Exact_Mass	241.085126602
68658	Molecular_Weight	313.22
79693	Structure_Complexity	131
14496	XLogP3-AA	0
674188	Mono_Isotopic_Weight	333.11764973
10285778	Exact_Mass	99.068413911
54408458	Total_Formal_Charge	0
57563	Undefined_Atom_Stereo_Count	0
15559064	Isotope_Atom_Count	0
71115	Undefined_Bond_Stereo_Count	0
12675	Undefined_Bond_Stereo_Count	0
12415	Hydrogen_Bond_Donor_Count	0
41462	Hydrogen_Bond_Donor_Count	1
72582	Mono_Isotopic_Weight	224.20009678
9804991	Exact_Mass	475.1873988
5108383	Exact_Mass	335.09397721
66558601	Covalent_Unit_Count	1
44590447	Defined_Bond_Stereo_Count	0
222285	Total_Formal_Charge	0
13398	Hydrogen_Bond_Donor_Count	0
19748724	Defined_Atom_Stereo_Count	0
90788020	Defined_Atom_Stereo_Count	0
136729	Defined_Atom_Stereo_Count	0
4280	Mono_Isotopic_Weight	289.06200837
87139265	Rotatable_Bond_Count	2
131287	Undefined_Bond_Stereo_Count	0
2020	Isotope_Atom_Count	0
79323706	Covalent_Unit_Count	1
142262	Total_Formal_Charge	0
6857686	TPSA	37.3
9862936	Undefined_Bond_Stereo_Count	0
449284	Mono_Isotopic_Weight	384.19501140
90227	Total_Formal_Charge	0
137224392	Covalent_Unit_Count	8
60196413	Defined_Atom_Stereo_Count	0
25195253	Mono_Isotopic_Weight	342.0746753
88520001	Exact_Mass	422.36670574
87774825	Hydrogen_Bond_Donor_Count	5
13450	Hydrogen_Bond_Acceptor_Count	6
46220502	Hydrogen_Bond_Donor_Count	1
6918788	Molecular_Weight	596.4
135502804	XLogP3-AA	1.7
110839	Isotope_Atom_Count	0
21895922	TPSA	0
51042	TPSA	0
9846078	Undefined_Atom_Stereo_Count	0
174341	Structure_Complexity	345
99646539	Mono_Isotopic_Weight	284.16237386
79418	Isotope_Atom_Count	0
57082	Covalent_Unit_Count	1
70686983	Rotatable_Bond_Count	7
3911	Covalent_Unit_Count	1
11208	TPSA	12.5
8505	Defined_Bond_Stereo_Count	0
6419719	Defined_Atom_Stereo_Count	0
87321867	Defined_Atom_Stereo_Count	0
11964036	XLogP3-AA	4.9
71356769	Rotatable_Bond_Count	2
40240	Defined_Atom_Stereo_Count	2
12711588	Undefined_Atom_Stereo_Count	1
51357128	Hydrogen_Bond_Acceptor_Count	7
429456	Molecular_Weight	106.16
3365553	Defined_Atom_Stereo_Count	0
135444614	Rotatable_Bond_Count	7
69437	Rotatable_Bond_Count	4
83975	Undefined_Bond_Stereo_Count	0
1053	Hydrogen_Bond_Acceptor_Count	7
53635139	Total_Formal_Charge	0
9837656	Undefined_Bond_Stereo_Count	0
21977681	Rotatable_Bond_Count	6
9574962	Non-hydrogen_Atom_Count	27
53490	Non-hydrogen_Atom_Count	30
6419942	Tautomer_Count	1
40344	TPSA	52.9
123358	Structure_Complexity	208
99858	Exact_Mass	264.11100700
546902	Defined_Bond_Stereo_Count	0
101008927	Exact_Mass	275.188529040
14810122	Structure_Complexity	109
6913185	Exact_Mass	400.0381477
89646	Defined_Atom_Stereo_Count	0
87612217	Hydrogen_Bond_Donor_Count	1
59296081	Covalent_Unit_Count	1
10384259	Undefined_Bond_Stereo_Count	0
5352062	Total_Formal_Charge	0
5487972	Covalent_Unit_Count	1
12962871	Defined_Bond_Stereo_Count	0
138059664	Molecular_Weight	1467.5
25183872	Hydrogen_Bond_Acceptor_Count	4
1218	Structure_Complexity	322
108137	Molecular_Weight	277.32
53388942	XLogP3-AA	4.4
21804	Isotope_Atom_Count	0
10931381	Defined_Bond_Stereo_Count	0
73330464	Hydrogen_Bond_Acceptor_Count	6
4916	Undefined_Bond_Stereo_Count	0
176595	Exact_Mass	616.04674
2762919	Covalent_Unit_Count	1
1069125	Hydrogen_Bond_Acceptor_Count	2
4412	Hydrogen_Bond_Acceptor_Count	21
165365661	Covalent_Unit_Count	3
1382043	Mono_Isotopic_Weight	107.048347172
2734225	Tautomer_Count	1
62097	Defined_Atom_Stereo_Count	0
54708862	Isotope_Atom_Count	0
165706199	Structure_Complexity	1370
26684	Mono_Isotopic_Weight	310.1248191
153386581	Exact_Mass	96.057514874
31230	Undefined_Bond_Stereo_Count	0
17734	Covalent_Unit_Count	1
10103148	Hydrogen_Bond_Donor_Count	1
21698963	Hydrogen_Bond_Acceptor_Count	4
65635	Hydrogen_Bond_Acceptor_Count	4
6916258	Non-hydrogen_Atom_Count	24
6544	Isotope_Atom_Count	0
8756	Undefined_Bond_Stereo_Count	0
44125988	XLogP3-AA	2.6
76966897	Mono_Isotopic_Weight	1608.51510
19784	Total_Formal_Charge	0
16218739	Undefined_Bond_Stereo_Count	0
20497	Exact_Mass	106.062994177
6713	Hydrogen_Bond_Acceptor_Count	5
71387	Defined_Atom_Stereo_Count	7
138924	Defined_Atom_Stereo_Count	0
10019237	Rotatable_Bond_Count	8
13224	Undefined_Bond_Stereo_Count	0
692450	Covalent_Unit_Count	1
4507	Tautomer_Count	5
4997	Structure_Complexity	340
638116	Non-hydrogen_Atom_Count	7
155143	Defined_Atom_Stereo_Count	6
66840	Mono_Isotopic_Weight	242.95311
109016492	Isotope_Atom_Count	0
133687604	Defined_Bond_Stereo_Count	0
73895	Tautomer_Count	1
118984396	Hydrogen_Bond_Donor_Count	1
91489367	Non-hydrogen_Atom_Count	23
21817601	Defined_Atom_Stereo_Count	0
3539116	Tautomer_Count	1
22172	Undefined_Bond_Stereo_Count	0
1993	TPSA	26.3
155713	Non-hydrogen_Atom_Count	16
25474	Total_Formal_Charge	0
71693	Structure_Complexity	303
574489	Defined_Atom_Stereo_Count	0
5311311	Hydrogen_Bond_Donor_Count	16
123451	Covalent_Unit_Count	1
15287	TPSA	29.5
129627254	Mono_Isotopic_Weight	676.4251867
93125	Total_Formal_Charge	0
3318739	XLogP3-AA	7.9
4582877	Hydrogen_Bond_Donor_Count	0
62737	Undefined_Bond_Stereo_Count	0
2376	Undefined_Bond_Stereo_Count	0
16049769	Rotatable_Bond_Count	5
11983193	Undefined_Bond_Stereo_Count	0
122415	Defined_Bond_Stereo_Count	0
24807310	TPSA	73.8
4227	Hydrogen_Bond_Acceptor_Count	4
6912404	Undefined_Atom_Stereo_Count	0
430245	Isotope_Atom_Count	0
35330	Defined_Atom_Stereo_Count	0
80779	Undefined_Atom_Stereo_Count	0
65499	Structure_Complexity	569
50587	Total_Formal_Charge	0
11006945	Defined_Bond_Stereo_Count	0
409438	Molecular_Weight	166.18
2797779	Defined_Bond_Stereo_Count	0
447573	Hydrogen_Bond_Donor_Count	4
60069415	Non-hydrogen_Atom_Count	8
10351660	Exact_Mass	104.047344113
6971016	Covalent_Unit_Count	1
146159501	TPSA	35.5
698931	Undefined_Atom_Stereo_Count	0
580061	Structure_Complexity	87.1
2763078	Undefined_Bond_Stereo_Count	0
578	Undefined_Atom_Stereo_Count	9
20724774	Exact_Mass	101.047678466
11807	Non-hydrogen_Atom_Count	6
87298	TPSA	15.3
5230	Rotatable_Bond_Count	3
5288319	Molecular_Weight	157.25
4205037	Rotatable_Bond_Count	13
692135	Defined_Atom_Stereo_Count	1
447994	Non-hydrogen_Atom_Count	30
71456725	Isotope_Atom_Count	0
9568628	Covalent_Unit_Count	1
8395	Molecular_Weight	324.3
72200863	Defined_Bond_Stereo_Count	0
13707481	Molecular_Weight	114.19
65628	Undefined_Bond_Stereo_Count	0
8573	Non-hydrogen_Atom_Count	18
59154494	Isotope_Atom_Count	0
30380	TPSA	29.1
12175949	Defined_Bond_Stereo_Count	0
35161	Defined_Bond_Stereo_Count	0
14297145	Mono_Isotopic_Weight	236.00449107
138921	Structure_Complexity	107
135508048	Defined_Atom_Stereo_Count	0
54074602	XLogP3-AA	1.4
92649	XLogP3-AA	2.5
5365022	Exact_Mass	490.547752233
44160137	Total_Formal_Charge	0
76326	TPSA	26.3
11083833	Covalent_Unit_Count	1
123217920	Defined_Bond_Stereo_Count	0
11137427	Rotatable_Bond_Count	3
13546	Molecular_Weight	114.14
453251	Defined_Atom_Stereo_Count	0
23423585	Hydrogen_Bond_Acceptor_Count	3
65856	Defined_Atom_Stereo_Count	2
52948174	TPSA	77.2
12681	Mono_Isotopic_Weight	160.07355886
6368	Total_Formal_Charge	0
1449	Defined_Atom_Stereo_Count	0
5459861	Structure_Complexity	176
9948	Defined_Bond_Stereo_Count	0
2306	Isotope_Atom_Count	0
6815	Isotope_Atom_Count	0
124159802	Covalent_Unit_Count	1
518944	Rotatable_Bond_Count	1
165295	TPSA	40.5
11773	Hydrogen_Bond_Acceptor_Count	0
222714	Undefined_Bond_Stereo_Count	0
10964417	XLogP3-AA	1
23669619	Undefined_Bond_Stereo_Count	0
10237369	Undefined_Bond_Stereo_Count	0
134692135	Isotope_Atom_Count	0
2775149	Covalent_Unit_Count	2
79276	Rotatable_Bond_Count	19
12672	Undefined_Bond_Stereo_Count	0
117968974	Rotatable_Bond_Count	0
2736548	Hydrogen_Bond_Acceptor_Count	2
45085022	Hydrogen_Bond_Acceptor_Count	2
44324941	Undefined_Bond_Stereo_Count	0
2122	Undefined_Atom_Stereo_Count	1
23520950	Non-hydrogen_Atom_Count	8
53384918	Rotatable_Bond_Count	4
25386	Covalent_Unit_Count	2
18696579	Structure_Complexity	44.5
21604849	Exact_Mass	110.073164938
3086167	Total_Formal_Charge	0
632	Tautomer_Count	1
136335	Undefined_Atom_Stereo_Count	0
17691	Defined_Atom_Stereo_Count	0
3025961	XLogP3-AA	3.3
6708701	Undefined_Atom_Stereo_Count	2
3032361	TPSA	64.4
33196	Hydrogen_Bond_Acceptor_Count	3
8559	Defined_Bond_Stereo_Count	0
1676	Tautomer_Count	11
65040	Undefined_Bond_Stereo_Count	0
66587064	Hydrogen_Bond_Donor_Count	2
135403648	Hydrogen_Bond_Donor_Count	7
24756	Structure_Complexity	144
426756	Undefined_Bond_Stereo_Count	0
6444826	Structure_Complexity	516
375860	Covalent_Unit_Count	1
13609	TPSA	0
14228	Defined_Atom_Stereo_Count	0
191445	TPSA	165
90766	TPSA	21.3
16005120	Isotope_Atom_Count	0
14707	Structure_Complexity	432
23676745	Total_Formal_Charge	0
22512	Isotope_Atom_Count	0
58988613	Molecular_Weight	118.13
23729877	Defined_Bond_Stereo_Count	0
23723027	Undefined_Bond_Stereo_Count	0
73549	Defined_Atom_Stereo_Count	0
17909343	Exact_Mass	100.063662883
53974092	Defined_Bond_Stereo_Count	0
2153	Structure_Complexity	267
9834591	Isotope_Atom_Count	0
637552	Hydrogen_Bond_Acceptor_Count	4
19933	Structure_Complexity	238
45280821	Defined_Bond_Stereo_Count	0
566597	Defined_Bond_Stereo_Count	0
9099	Non-hydrogen_Atom_Count	11
60663	Hydrogen_Bond_Donor_Count	1
1727	Undefined_Bond_Stereo_Count	0
14693963	XLogP3-AA	2.1
72099	Defined_Bond_Stereo_Count	0
61044	Structure_Complexity	150
54712148	Undefined_Atom_Stereo_Count	0
362413	Defined_Atom_Stereo_Count	1
134129845	Hydrogen_Bond_Donor_Count	12
23190	Defined_Atom_Stereo_Count	4
3885	Mono_Isotopic_Weight	242.094294304
3037032	Tautomer_Count	1
153986581	Undefined_Bond_Stereo_Count	0
5684	Hydrogen_Bond_Donor_Count	0
1443	Molecular_Weight	318.4
182677	Covalent_Unit_Count	1
498033	Covalent_Unit_Count	1
12648201	TPSA	40.5
142891	XLogP3	3.3
11748	XLogP3-AA	0
428338	Defined_Bond_Stereo_Count	0
30295	TPSA	32.7
31374	Molecular_Weight	87.12
9886249	Undefined_Bond_Stereo_Count	0
21071390	Hydrogen_Bond_Acceptor_Count	7
16158103	Structure_Complexity	3420
2590	Undefined_Atom_Stereo_Count	8
5284656	Total_Formal_Charge	0
134688043	Hydrogen_Bond_Donor_Count	4
170254	Defined_Bond_Stereo_Count	0
13933900	Rotatable_Bond_Count	1
134688043	Hydrogen_Bond_Acceptor_Count	12
54708862	Undefined_Bond_Stereo_Count	0
28660	Total_Formal_Charge	0
4342487	Hydrogen_Bond_Donor_Count	0
6437358	Covalent_Unit_Count	1
31923	Exact_Mass	341.283098129
20469	Non-hydrogen_Atom_Count	28
70685868	Hydrogen_Bond_Acceptor_Count	6
6321405	Mono_Isotopic_Weight	154.135765193
5351564	Molecular_Weight	400.3
5270603	Undefined_Atom_Stereo_Count	0
256930	Molecular_Weight	247.09
66775	Hydrogen_Bond_Acceptor_Count	0
2724368	Non-hydrogen_Atom_Count	12
176505	Defined_Bond_Stereo_Count	0
14380	Covalent_Unit_Count	1
9964081	Structure_Complexity	99.8
81971	Defined_Bond_Stereo_Count	0
154132	Mono_Isotopic_Weight	354.0901833
85854	Structure_Complexity	37.1
21185116	Non-hydrogen_Atom_Count	7
87161809	Hydrogen_Bond_Acceptor_Count	3
10322586	Defined_Atom_Stereo_Count	1
1857	TPSA	103
94910	Rotatable_Bond_Count	6
86213522	Defined_Atom_Stereo_Count	0
5280880	Covalent_Unit_Count	1
408714	Isotope_Atom_Count	0
135414420	Defined_Bond_Stereo_Count	0
547676	Mono_Isotopic_Weight	102.104465066
111878	Tautomer_Count	1
19846	Hydrogen_Bond_Acceptor_Count	2
459971	Mono_Isotopic_Weight	376.19106883
21718085	Exact_Mass	94.078250319
59277772	Defined_Atom_Stereo_Count	0
46841789	Non-hydrogen_Atom_Count	34
21973740	Undefined_Atom_Stereo_Count	2
13982269	Undefined_Bond_Stereo_Count	0
557356	Non-hydrogen_Atom_Count	11
146131	Structure_Complexity	228
527072	Undefined_Bond_Stereo_Count	0
71697	XLogP3-AA	4
536549	XLogP3-AA	1.3
2225	Molecular_Weight	388.4
21595393	Total_Formal_Charge	1
44556162	Hydrogen_Bond_Acceptor_Count	11
92023654	Hydrogen_Bond_Donor_Count	7
60196381	Defined_Bond_Stereo_Count	0
11850698	Undefined_Atom_Stereo_Count	0
546877	Molecular_Weight	103.16
139202065	Defined_Atom_Stereo_Count	2
56841628	Total_Formal_Charge	4
440946	Exact_Mass	504.16903493
74431	Hydrogen_Bond_Acceptor_Count	2
12823444	XLogP3	2.3
36082	Defined_Atom_Stereo_Count	0
6918204	Hydrogen_Bond_Donor_Count	14
20469	Covalent_Unit_Count	1
45933929	Defined_Atom_Stereo_Count	3
1444	Defined_Atom_Stereo_Count	0
9989237	Undefined_Bond_Stereo_Count	0
71873	Tautomer_Count	1
16584	Total_Formal_Charge	0
66751253	XLogP3-AA	3.3
9171	Mono_Isotopic_Weight	228.093900383
12285822	Rotatable_Bond_Count	3
88318	Exact_Mass	87.104799419
7140	Rotatable_Bond_Count	3
17806836	Covalent_Unit_Count	1
5942099	Undefined_Atom_Stereo_Count	1
411312	Total_Formal_Charge	0
101905	Undefined_Bond_Stereo_Count	0
44389437	Total_Formal_Charge	0
17510	Defined_Bond_Stereo_Count	0
73881	Undefined_Bond_Stereo_Count	0
45934213	Total_Formal_Charge	0
82646	Hydrogen_Bond_Acceptor_Count	3
11865405	Hydrogen_Bond_Donor_Count	2
123676075	Rotatable_Bond_Count	1
49142	Hydrogen_Bond_Donor_Count	3
10953453	Non-hydrogen_Atom_Count	8
5932	Rotatable_Bond_Count	2
210410	Mono_Isotopic_Weight	116.094963011
12395209	TPSA	12.9
131634907	Non-hydrogen_Atom_Count	131
106705	Undefined_Bond_Stereo_Count	0
3018598	Isotope_Atom_Count	0
56593143	Rotatable_Bond_Count	7
9547919	Isotope_Atom_Count	0
44531649	Hydrogen_Bond_Acceptor_Count	4
135779804	Rotatable_Bond_Count	4
34697	Total_Formal_Charge	0
5311341	Non-hydrogen_Atom_Count	35
74685	Hydrogen_Bond_Acceptor_Count	2
12707110	Exact_Mass	85.052763847
59630744	TPSA	0
39164	Structure_Complexity	337
154511	Non-hydrogen_Atom_Count	17
9843750	TPSA	98.7
5357696	Molecular_Weight	85.468
7804	Undefined_Atom_Stereo_Count	0
7758	Defined_Atom_Stereo_Count	0
521994	Non-hydrogen_Atom_Count	7
5282209	Mono_Isotopic_Weight	590.26281617
31013	Total_Formal_Charge	0
20231751	Covalent_Unit_Count	1
11101	Structure_Complexity	164
36832	Non-hydrogen_Atom_Count	8
141344	Covalent_Unit_Count	1
13492441	Molecular_Weight	109.13
13152	Non-hydrogen_Atom_Count	10
14523486	Exact_Mass	406.04159
68529525	Exact_Mass	102.068079557
529331	Covalent_Unit_Count	1
9794712	Undefined_Bond_Stereo_Count	0
9823781	Defined_Atom_Stereo_Count	1
442431	Exact_Mass	580.17920569
429095	Structure_Complexity	198
7786	Isotope_Atom_Count	0
20064163	TPSA	46.2
19380118	Defined_Atom_Stereo_Count	0
20226563	Undefined_Atom_Stereo_Count	0
76134	Total_Formal_Charge	0
72604488	Structure_Complexity	88.2
108835	Defined_Atom_Stereo_Count	0
139906410	Defined_Atom_Stereo_Count	0
134925337	Molecular_Weight	101.15
16091082	Defined_Bond_Stereo_Count	0
14804	Covalent_Unit_Count	3
57399429	Undefined_Atom_Stereo_Count	0
121235738	Non-hydrogen_Atom_Count	14
6917839	Isotope_Atom_Count	0
5281243	Structure_Complexity	1270
8855	Defined_Atom_Stereo_Count	0
424353	Exact_Mass	399.20457303
88209	Isotope_Atom_Count	0
11189402	Isotope_Atom_Count	0
11989572	Defined_Atom_Stereo_Count	0
11543205	Exact_Mass	199.08445790
19028612	Mono_Isotopic_Weight	116.083729621
135594055	Molecular_Weight	341.8
1956	Hydrogen_Bond_Donor_Count	5
71560031	Undefined_Atom_Stereo_Count	0
6585	Mono_Isotopic_Weight	76.016043985
18690759	Structure_Complexity	109
20157043	Hydrogen_Bond_Donor_Count	1
522105	Exact_Mass	143.0501770
24180695	Molecular_Weight	209.24
11136922	Undefined_Atom_Stereo_Count	1
140934984	TPSA	0
53317131	Undefined_Bond_Stereo_Count	0
13207	Structure_Complexity	101
15739357	Structure_Complexity	206
8490	Molecular_Weight	222.12
140376	Molecular_Weight	108.14
16606	XLogP3-AA	2
690730	Mono_Isotopic_Weight	178.03131738
1582	Undefined_Bond_Stereo_Count	0
70544	Tautomer_Count	4
5281249	Total_Formal_Charge	0
11587584	TPSA	71.6
24191118	Defined_Bond_Stereo_Count	0
15308711	TPSA	220
5942099	Exact_Mass	306.13280507
4005	Molecular_Weight	529.7
15239355	Isotope_Atom_Count	0
15090448	Exact_Mass	114.068079557
45806	Rotatable_Bond_Count	8
26009888	TPSA	64.1
296464	Covalent_Unit_Count	1
18626413	Defined_Bond_Stereo_Count	0
137994	Covalent_Unit_Count	1
17868	Isotope_Atom_Count	0
8870	Molecular_Weight	129.59
6295	Non-hydrogen_Atom_Count	20
7707	XLogP3	1.3
86566	Undefined_Bond_Stereo_Count	0
285129	Total_Formal_Charge	0
13399	Isotope_Atom_Count	0
65628	Defined_Atom_Stereo_Count	0
102019	Mono_Isotopic_Weight	161.0607417
15548	Molecular_Weight	357.4
29656	Non-hydrogen_Atom_Count	7
12931852	Molecular_Weight	82.10
4832	Undefined_Atom_Stereo_Count	2
6328174	Hydrogen_Bond_Donor_Count	3
131668531	Structure_Complexity	1850
452723	Isotope_Atom_Count	0
6441712	Hydrogen_Bond_Donor_Count	4
6185	Hydrogen_Bond_Donor_Count	3
12561970	Undefined_Bond_Stereo_Count	0
1094	Tautomer_Count	1
87504	Defined_Atom_Stereo_Count	1
220861	Defined_Bond_Stereo_Count	0
22220896	Defined_Atom_Stereo_Count	0
14502	Covalent_Unit_Count	1
84363	Mono_Isotopic_Weight	350.0855767
69282	Mono_Isotopic_Weight	246.07145086
968625	Mono_Isotopic_Weight	330.10381361
88970	Rotatable_Bond_Count	9
15981894	Hydrogen_Bond_Acceptor_Count	9
824060	Undefined_Bond_Stereo_Count	0
8396	Mono_Isotopic_Weight	176.120115130
413742	Total_Formal_Charge	0
64969	Defined_Atom_Stereo_Count	1
16217112	TPSA	110
44442027	Total_Formal_Charge	0
129747104	Molecular_Weight	115.13
77568	Covalent_Unit_Count	1
16760287	Defined_Bond_Stereo_Count	0
53581	Defined_Atom_Stereo_Count	1
61029	Hydrogen_Bond_Acceptor_Count	3
14337	Mono_Isotopic_Weight	215.13438547
907991	Rotatable_Bond_Count	5
45484175	Hydrogen_Bond_Donor_Count	3
8934	Molecular_Weight	319.2
41438	Hydrogen_Bond_Acceptor_Count	8
73181638	Total_Formal_Charge	0
54466147	Isotope_Atom_Count	0
95659	Mono_Isotopic_Weight	198.104465066
141082	Hydrogen_Bond_Donor_Count	0
62705860	Hydrogen_Bond_Acceptor_Count	8
317681	Undefined_Atom_Stereo_Count	0
104967	Rotatable_Bond_Count	0
134129858	Molecular_Weight	439.0
497100	Structure_Complexity	165
687818	Rotatable_Bond_Count	5
23669619	Hydrogen_Bond_Acceptor_Count	2
92722	XLogP3-AA	1.3
68290287	Total_Formal_Charge	0
522609	Exact_Mass	577.32641949
73957	Covalent_Unit_Count	2
1712094	Undefined_Bond_Stereo_Count	0
5541	Exact_Mass	218.07903816
154701779	Molecular_Weight	365.4
439278	Covalent_Unit_Count	1
93011	TPSA	37.4
129629095	Total_Formal_Charge	0
65624	Hydrogen_Bond_Donor_Count	0
19589	Total_Formal_Charge	0
13008	Hydrogen_Bond_Acceptor_Count	2
57391320	Exact_Mass	422.17427596
19962896	Exact_Mass	96.068748264
144606028	Defined_Atom_Stereo_Count	0
71601	Rotatable_Bond_Count	0
18719	Covalent_Unit_Count	1
88547603	Undefined_Atom_Stereo_Count	2
22947	Undefined_Bond_Stereo_Count	0
6323	Tautomer_Count	1
82291	Molecular_Weight	93.55
6682	Non-hydrogen_Atom_Count	19
44429	Hydrogen_Bond_Acceptor_Count	2
78960	Total_Formal_Charge	0
2724588	Defined_Bond_Stereo_Count	0
645691	Defined_Atom_Stereo_Count	0
69813	Covalent_Unit_Count	1
13158036	Tautomer_Count	1
126710233	Structure_Complexity	68.5
7342	Hydrogen_Bond_Acceptor_Count	2
23725019	Isotope_Atom_Count	0
717663	Undefined_Bond_Stereo_Count	1
23599502	Mono_Isotopic_Weight	312.12963444
135972	Undefined_Bond_Stereo_Count	0
57401205	Undefined_Atom_Stereo_Count	1
9798	Rotatable_Bond_Count	0
11957587	Defined_Atom_Stereo_Count	20
15810462	Total_Formal_Charge	0
5280581	Defined_Atom_Stereo_Count	0
140719461	Covalent_Unit_Count	1
589314	Undefined_Bond_Stereo_Count	0
10796703	TPSA	12
5062	Undefined_Atom_Stereo_Count	5
20485709	Undefined_Bond_Stereo_Count	0
34148	XLogP3-AA	6.1
41663	Isotope_Atom_Count	0
71511839	Non-hydrogen_Atom_Count	71
54685734	Isotope_Atom_Count	0
2296	Undefined_Atom_Stereo_Count	2
12579106	Hydrogen_Bond_Donor_Count	1
34072	Isotope_Atom_Count	0
1028	Covalent_Unit_Count	1
36920	Hydrogen_Bond_Acceptor_Count	4
86287525	Exact_Mass	353.0679523
50894	Mono_Isotopic_Weight	308.17360725
72149	Molecular_Weight	382.5
594028	Undefined_Bond_Stereo_Count	0
28692	Undefined_Bond_Stereo_Count	0
14022511	Undefined_Bond_Stereo_Count	0
65573725	Total_Formal_Charge	0
81869	Hydrogen_Bond_Donor_Count	0
81320	TPSA	52.6
23690449	Total_Formal_Charge	0
12467	Molecular_Weight	393.70
10080320	Hydrogen_Bond_Donor_Count	1
131752808	Hydrogen_Bond_Donor_Count	0
86307	Covalent_Unit_Count	1
53393558	Exact_Mass	220.182715385
18372143	Structure_Complexity	109
64655	Undefined_Bond_Stereo_Count	0
101796201	Defined_Bond_Stereo_Count	0
173612	Rotatable_Bond_Count	5
20587	TPSA	43.7
84481	TPSA	73.3
10582477	Covalent_Unit_Count	1
80416	Undefined_Atom_Stereo_Count	0
53243273	Exact_Mass	115.063328530
57403176	Non-hydrogen_Atom_Count	28
193290	Defined_Atom_Stereo_Count	0
123468130	Undefined_Bond_Stereo_Count	0
21144838	Structure_Complexity	320
1235	Mono_Isotopic_Weight	257.177964357
6917959	Defined_Bond_Stereo_Count	0
102565432	Total_Formal_Charge	0
16837	Rotatable_Bond_Count	4
49865785	Defined_Bond_Stereo_Count	0
42754	TPSA	29.1
439195	Covalent_Unit_Count	1
122820	Defined_Bond_Stereo_Count	0
54706667	Hydrogen_Bond_Acceptor_Count	4
12268510	Undefined_Bond_Stereo_Count	0
536086	Undefined_Atom_Stereo_Count	0
20453897	Undefined_Atom_Stereo_Count	0
12553930	Covalent_Unit_Count	1
59630221	Isotope_Atom_Count	0
17166	Exact_Mass	140.120115130
12366	XLogP3-AA	7.8
54392998	Mono_Isotopic_Weight	117.078978594
13521834	Undefined_Bond_Stereo_Count	0
38764	Structure_Complexity	297
96277	Exact_Mass	200.0240218
62309	Defined_Bond_Stereo_Count	0
1481	Undefined_Atom_Stereo_Count	1
73604	Defined_Bond_Stereo_Count	0
67752	Undefined_Bond_Stereo_Count	0
86063	Undefined_Atom_Stereo_Count	1
25023837	XLogP3-AA	4.3
20871316	Exact_Mass	112.088815002
17991084	TPSA	64.9
136843	Exact_Mass	167.094628657
319771	Non-hydrogen_Atom_Count	7
26956	Structure_Complexity	275
11497646	Isotope_Atom_Count	0
12423177	TPSA	33
5606	Undefined_Bond_Stereo_Count	0
143047391	Molecular_Weight	87.12
54675758	Hydrogen_Bond_Acceptor_Count	8
2741326	Isotope_Atom_Count	0
521355	Rotatable_Bond_Count	3
2557	Mono_Isotopic_Weight	236.09094026
1120	Covalent_Unit_Count	1
23707296	Defined_Atom_Stereo_Count	0
59434	TPSA	46.5
101808860	Defined_Atom_Stereo_Count	0
40537360	Undefined_Bond_Stereo_Count	0
33112	Mono_Isotopic_Weight	224.1291556
3899541	XLogP3-AA	0.1
67258704	XLogP3-AA	0.7
13925935	Undefined_Bond_Stereo_Count	0
62118	Undefined_Atom_Stereo_Count	0
58880543	Undefined_Bond_Stereo_Count	0
46196517	Defined_Bond_Stereo_Count	0
5140	Molecular_Weight	392.5
18616638	Exact_Mass	99.068413911
11271730	Total_Formal_Charge	0
56843466	TPSA	132
80873	Structure_Complexity	241
4436967	Non-hydrogen_Atom_Count	27
7715	Isotope_Atom_Count	0
165363357	Isotope_Atom_Count	0
650960	Undefined_Bond_Stereo_Count	0
3085267	Defined_Atom_Stereo_Count	0
4313918	Isotope_Atom_Count	0
11575878	Non-hydrogen_Atom_Count	33
13371699	Non-hydrogen_Atom_Count	35
59066	Undefined_Bond_Stereo_Count	0
117274708	Molecular_Weight	111.10
23644194	Mono_Isotopic_Weight	730.46291296
66855878	Non-hydrogen_Atom_Count	8
15047014	Undefined_Atom_Stereo_Count	2
10428273	Total_Formal_Charge	0
75806	Rotatable_Bond_Count	3
49865493	Defined_Atom_Stereo_Count	0
12104	Isotope_Atom_Count	0
121494073	Undefined_Atom_Stereo_Count	0
524314	TPSA	0
20690188	Undefined_Bond_Stereo_Count	0
442530	Molecular_Weight	403.8
71305034	Molecular_Weight	408.4
136183544	Rotatable_Bond_Count	4
136060671	Molecular_Weight	181.23
41599	Undefined_Atom_Stereo_Count	0
12591942	Rotatable_Bond_Count	1
661122	Exact_Mass	293.16404563
13878035	Non-hydrogen_Atom_Count	28
22411865	Defined_Bond_Stereo_Count	0
11789162	Hydrogen_Bond_Donor_Count	1
27435	Defined_Atom_Stereo_Count	0
3531736	Hydrogen_Bond_Donor_Count	3
60196435	Isotope_Atom_Count	0
57383474	TPSA	76.3
4473	Exact_Mass	480.21346069
66576989	Covalent_Unit_Count	1
124040753	Undefined_Atom_Stereo_Count	4
12546243	Non-hydrogen_Atom_Count	6
85570	Tautomer_Count	1
517827	Total_Formal_Charge	0
88423	Structure_Complexity	154
9920327	Isotope_Atom_Count	0
11029762	Exact_Mass	88.052429494
9257	Undefined_Bond_Stereo_Count	0
445302	Non-hydrogen_Atom_Count	14
143723227	Covalent_Unit_Count	1
201538	Covalent_Unit_Count	2
11452022	Isotope_Atom_Count	0
124201874	Undefined_Atom_Stereo_Count	1
11040632	Hydrogen_Bond_Donor_Count	0
226147	Non-hydrogen_Atom_Count	18
442530	Defined_Bond_Stereo_Count	0
1718	Hydrogen_Bond_Acceptor_Count	4
636364	Molecular_Weight	549.6
5460588	Hydrogen_Bond_Donor_Count	2
23678979	TPSA	40.1
56598471	Defined_Atom_Stereo_Count	0
447377	Hydrogen_Bond_Acceptor_Count	13
13594	Hydrogen_Bond_Donor_Count	0
53673	Exact_Mass	194.01499861
69238	Hydrogen_Bond_Acceptor_Count	3
123880197	Non-hydrogen_Atom_Count	8
688107	Rotatable_Bond_Count	2
92043261	Mono_Isotopic_Weight	215.97756350
164886662	Isotope_Atom_Count	0
16065391	XLogP3-AA	5
5011	Isotope_Atom_Count	0
123642	Mono_Isotopic_Weight	408.24129289
71675	Mono_Isotopic_Weight	259.1127773
6433547	Defined_Atom_Stereo_Count	0
26470417	Defined_Bond_Stereo_Count	0
81364	Tautomer_Count	1
39528	Non-hydrogen_Atom_Count	19
166581	Defined_Atom_Stereo_Count	0
6973664	Total_Formal_Charge	0
75634	Non-hydrogen_Atom_Count	7
194519	Mono_Isotopic_Weight	304.02175079
667498	XLogP3	0.7
21584701	Undefined_Bond_Stereo_Count	0
102697	Non-hydrogen_Atom_Count	23
20439251	Rotatable_Bond_Count	3
315341	XLogP3-AA	0.9
510	Structure_Complexity	248
142739236	Isotope_Atom_Count	0
6125	Exact_Mass	133.95919704
62580	Covalent_Unit_Count	1
49784945	Molecular_Weight	377.4
6032	Covalent_Unit_Count	1
70715	Total_Formal_Charge	0
37036	Total_Formal_Charge	0
47217	Defined_Bond_Stereo_Count	0
122327	Hydrogen_Bond_Acceptor_Count	4
7443	Undefined_Bond_Stereo_Count	0
53320169	Defined_Bond_Stereo_Count	0
53988715	Hydrogen_Bond_Acceptor_Count	3
79015	Exact_Mass	48.021129366
694876	Covalent_Unit_Count	1
3035914	Total_Formal_Charge	0
27882	Isotope_Atom_Count	0
124933	Defined_Atom_Stereo_Count	6
23238238	Defined_Bond_Stereo_Count	0
2763	Undefined_Bond_Stereo_Count	0
11315	Structure_Complexity	523
78414	XLogP3-AA	1
14344952	Mono_Isotopic_Weight	112.063662883
9548687	Total_Formal_Charge	0
115368	Hydrogen_Bond_Acceptor_Count	6
12471	Exact_Mass	194.940932
118435360	Rotatable_Bond_Count	5
22612	TPSA	38
11076461	Non-hydrogen_Atom_Count	11
197	Undefined_Atom_Stereo_Count	4
17179	Mono_Isotopic_Weight	332.1583747
20838642	Tautomer_Count	2
640997	Isotope_Atom_Count	0
134150	Undefined_Atom_Stereo_Count	0
72196309	Undefined_Atom_Stereo_Count	1
92363	XLogP3	1.5
98365	Exact_Mass	172.063662883
168263	Exact_Mass	114.068079557
11829353	Total_Formal_Charge	0
26945	Undefined_Bond_Stereo_Count	0
50515	Undefined_Atom_Stereo_Count	0
148837046	TPSA	64.9
53290	Undefined_Atom_Stereo_Count	0
21303152	Covalent_Unit_Count	1
443369	Hydrogen_Bond_Acceptor_Count	9
58173	Hydrogen_Bond_Acceptor_Count	3
46078	Covalent_Unit_Count	1
14825	Covalent_Unit_Count	3
16412	Defined_Bond_Stereo_Count	0
101743775	Hydrogen_Bond_Acceptor_Count	7
4255874	Covalent_Unit_Count	3
565843	Defined_Bond_Stereo_Count	0
67564795	Undefined_Bond_Stereo_Count	0
154734173	Molecular_Weight	113.07
53766125	Hydrogen_Bond_Donor_Count	2
10901	Covalent_Unit_Count	1
27400	Defined_Atom_Stereo_Count	0
52148	TPSA	75.6
66048	Non-hydrogen_Atom_Count	8
51357128	Defined_Atom_Stereo_Count	1
96135	Total_Formal_Charge	0
13012673	Hydrogen_Bond_Donor_Count	1
10355	Defined_Bond_Stereo_Count	0
7370	Tautomer_Count	1
11388	Hydrogen_Bond_Donor_Count	1
10431444	Covalent_Unit_Count	1
9906614	Exact_Mass	354.21949481
5282367	Covalent_Unit_Count	1
86890	Non-hydrogen_Atom_Count	60
8545	Structure_Complexity	368
101625661	Hydrogen_Bond_Donor_Count	2
1189	Non-hydrogen_Atom_Count	20
38464	Non-hydrogen_Atom_Count	16
159982	Defined_Bond_Stereo_Count	0
19801	Covalent_Unit_Count	1
24822701	Undefined_Atom_Stereo_Count	0
10390369	Non-hydrogen_Atom_Count	35
18781684	Undefined_Bond_Stereo_Count	0
54697325	Hydrogen_Bond_Acceptor_Count	10
13748845	Defined_Atom_Stereo_Count	0
14298876	Exact_Mass	86.084398327
638011	Hydrogen_Bond_Donor_Count	0
65637	Undefined_Atom_Stereo_Count	0
137530132	Structure_Complexity	879
11537871	Exact_Mass	364.20115941
5478936	Non-hydrogen_Atom_Count	39
180098	Defined_Atom_Stereo_Count	2
524213	Molecular_Weight	106.16
18713388	Isotope_Atom_Count	0
220861	Mono_Isotopic_Weight	710.35135639
57391320	Covalent_Unit_Count	1
11957491	Total_Formal_Charge	0
135565932	Undefined_Bond_Stereo_Count	0
8974	TPSA	140
543855	Hydrogen_Bond_Acceptor_Count	2
92765	Tautomer_Count	1
53728	Undefined_Atom_Stereo_Count	0
4591	Undefined_Atom_Stereo_Count	18
4104621	Covalent_Unit_Count	1
19773393	Covalent_Unit_Count	1
6918840	Defined_Bond_Stereo_Count	0
24874	Covalent_Unit_Count	1
135765350	TPSA	53.5
14949211	Undefined_Atom_Stereo_Count	0
698931	Isotope_Atom_Count	0
441290	Hydrogen_Bond_Donor_Count	1
778159	Structure_Complexity	170
66908038	Defined_Atom_Stereo_Count	0
66587032	Total_Formal_Charge	0
27135	Structure_Complexity	59.8
6400264	Rotatable_Bond_Count	1
7647	Hydrogen_Bond_Donor_Count	0
20729555	Undefined_Atom_Stereo_Count	0
36382	Undefined_Atom_Stereo_Count	0
18414852	Undefined_Atom_Stereo_Count	0
72959169	Undefined_Atom_Stereo_Count	0
10246418	Undefined_Atom_Stereo_Count	0
55255285	Mono_Isotopic_Weight	111.068413911
2723755	Hydrogen_Bond_Acceptor_Count	2
5702690	Mono_Isotopic_Weight	497.90605924
91434	Non-hydrogen_Atom_Count	21
6450173	Undefined_Atom_Stereo_Count	0
105426940	Undefined_Bond_Stereo_Count	0
44392244	Undefined_Bond_Stereo_Count	0
1358	Mono_Isotopic_Weight	687.39556167
59755609	Undefined_Atom_Stereo_Count	12
26106	Rotatable_Bond_Count	3
68424	Rotatable_Bond_Count	1
3716002	Total_Formal_Charge	0
25185057	Covalent_Unit_Count	1
147285	Hydrogen_Bond_Acceptor_Count	2
95361	Isotope_Atom_Count	0
5742631	Defined_Bond_Stereo_Count	0
44305779	Defined_Atom_Stereo_Count	0
80873	Hydrogen_Bond_Donor_Count	4
139631450	XLogP3-AA	1
25209	Isotope_Atom_Count	0
145705935	Defined_Atom_Stereo_Count	4
66747531	TPSA	38.1
4793	Hydrogen_Bond_Acceptor_Count	6
66193	Molecular_Weight	174.19
13282	Molecular_Weight	250.19
12642	Exact_Mass	106.0185425
10176241	Hydrogen_Bond_Donor_Count	2
5702183	Exact_Mass	554.05420021
142765305	Mono_Isotopic_Weight	109.052763847
68711	Rotatable_Bond_Count	14
61534	Mono_Isotopic_Weight	91.940821
183812	Defined_Bond_Stereo_Count	0
11504295	Tautomer_Count	15
24478	Isotope_Atom_Count	0
15004699	Structure_Complexity	82.6
9719	Non-hydrogen_Atom_Count	22
105970	Structure_Complexity	393
9955015	Structure_Complexity	453
79865794	Structure_Complexity	118
1549002	Defined_Bond_Stereo_Count	0
11467403	TPSA	64.2
6745	Mono_Isotopic_Weight	414.386166214
3139	Rotatable_Bond_Count	3
156614059	Covalent_Unit_Count	2
57284788	Total_Formal_Charge	0
522693	Defined_Bond_Stereo_Count	0
13081	Isotope_Atom_Count	0
659064	Undefined_Bond_Stereo_Count	0
57345768	Molecular_Weight	665.7
7259	Structure_Complexity	90.6
444266	Molecular_Weight	116.07
3011155	Undefined_Atom_Stereo_Count	0
24946103	XLogP3-AA	4.4
147007373	Hydrogen_Bond_Acceptor_Count	1
4132	Undefined_Bond_Stereo_Count	0
6419912	Hydrogen_Bond_Acceptor_Count	42
704481	Non-hydrogen_Atom_Count	24
68736	Covalent_Unit_Count	1
134693234	Total_Formal_Charge	0
713378	Non-hydrogen_Atom_Count	18
9920327	Undefined_Bond_Stereo_Count	0
205586	Defined_Atom_Stereo_Count	1
12723336	Total_Formal_Charge	0
103940	Defined_Atom_Stereo_Count	0
67818	Molecular_Weight	364.06
18757800	Non-hydrogen_Atom_Count	10
11469055	Hydrogen_Bond_Donor_Count	0
686703	Mono_Isotopic_Weight	165.078978594
9821217	Tautomer_Count	1
65583	Molecular_Weight	422.3
139820	Molecular_Weight	100.12
53656122	Defined_Atom_Stereo_Count	1
60196377	Hydrogen_Bond_Acceptor_Count	2
597	Mono_Isotopic_Weight	111.043261792
95739	TPSA	63.3
68746916	Undefined_Bond_Stereo_Count	0
480953	Isotope_Atom_Count	0
15950518	Isotope_Atom_Count	0
36131	Covalent_Unit_Count	1
71586635	Covalent_Unit_Count	1
87140770	Total_Formal_Charge	0
118388035	Total_Formal_Charge	0
6987	Undefined_Bond_Stereo_Count	0
168299	Tautomer_Count	1
556492	TPSA	20.2
57394330	Defined_Atom_Stereo_Count	3
11500877	XLogP3-AA	3
44571	Hydrogen_Bond_Acceptor_Count	3
105426997	Rotatable_Bond_Count	1
6420019	Defined_Atom_Stereo_Count	0
69341468	Undefined_Bond_Stereo_Count	0
19470	Isotope_Atom_Count	0
129888394	XLogP3-AA	1.1
7417	Covalent_Unit_Count	1
96198	Structure_Complexity	143
33353	Structure_Complexity	834
10648	Hydrogen_Bond_Acceptor_Count	1
688311	Molecular_Weight	245.04
4613278	Undefined_Atom_Stereo_Count	0
5283321	Undefined_Bond_Stereo_Count	0
52949613	Total_Formal_Charge	0
2216	Hydrogen_Bond_Acceptor_Count	2
10221890	TPSA	139
12308	Hydrogen_Bond_Acceptor_Count	1
4202	Hydrogen_Bond_Acceptor_Count	8
131632429	Undefined_Atom_Stereo_Count	2
2877	Structure_Complexity	330
44454985	Non-hydrogen_Atom_Count	30
25005580	Total_Formal_Charge	0
89741632	Defined_Bond_Stereo_Count	0
11569967	XLogP3-AA	3.2
71309208	TPSA	0
12201322	Covalent_Unit_Count	2
12720825	Covalent_Unit_Count	1
146680	TPSA	109
12554265	Defined_Bond_Stereo_Count	0
67108333	Isotope_Atom_Count	0
23662389	Structure_Complexity	670
15129466	Molecular_Weight	114.19
6425	Defined_Atom_Stereo_Count	0
135422052	TPSA	200
136247302	Covalent_Unit_Count	1
139269842	Total_Formal_Charge	0
5351548	Mono_Isotopic_Weight	841.44598505
136603687	Molecular_Weight	116.08
84923	Defined_Atom_Stereo_Count	0
66383	Covalent_Unit_Count	2
400769	Rotatable_Bond_Count	2
76959818	Undefined_Atom_Stereo_Count	0
5288499	Covalent_Unit_Count	1
11150163	Mono_Isotopic_Weight	279.14705815
65773	Structure_Complexity	151
439811	Covalent_Unit_Count	1
123678021	Defined_Atom_Stereo_Count	0
5365909	Molecular_Weight	114.14
14931	TPSA	59.3
1574	Mono_Isotopic_Weight	190.110613074
69046	Structure_Complexity	284
24827	Mono_Isotopic_Weight	130.062994177
6918331	Tautomer_Count	1
6629	Non-hydrogen_Atom_Count	11
7004913	Total_Formal_Charge	0
28102	TPSA	38.8
123467456	Rotatable_Bond_Count	1
88889699	Total_Formal_Charge	0
85573568	Undefined_Atom_Stereo_Count	0
83163	Undefined_Atom_Stereo_Count	0
59330719	Undefined_Atom_Stereo_Count	0
25683	Covalent_Unit_Count	1
69571381	Exact_Mass	114.031694049
20392430	Undefined_Atom_Stereo_Count	1
91753	TPSA	40.6
74496	Total_Formal_Charge	0
104865206	TPSA	41.8
21414	Undefined_Bond_Stereo_Count	0
54471	Exact_Mass	321.0687196
12817963	Covalent_Unit_Count	1
90462	Structure_Complexity	244
23678	Mono_Isotopic_Weight	395.88317
16694	Molecular_Weight	132.20
11104792	Molecular_Weight	811.0
54250649	Defined_Atom_Stereo_Count	0
595230	Non-hydrogen_Atom_Count	12
87426124	Isotope_Atom_Count	0
6426739	Isotope_Atom_Count	0
21939031	Mono_Isotopic_Weight	97.027611728
11796	XLogP3	3
134758781	Hydrogen_Bond_Donor_Count	6
33741	Total_Formal_Charge	0
625277	Defined_Bond_Stereo_Count	0
18717626	Hydrogen_Bond_Donor_Count	1
156592059	Hydrogen_Bond_Donor_Count	8
13578	Defined_Atom_Stereo_Count	0
3340	Exact_Mass	306.0896961
413539	Hydrogen_Bond_Acceptor_Count	6
139348436	Covalent_Unit_Count	1
4060	XLogP3-AA	1.5
59653	Structure_Complexity	492
254081	Defined_Bond_Stereo_Count	0
25142042	Defined_Atom_Stereo_Count	2
139254656	Hydrogen_Bond_Acceptor_Count	4
23276065	Mono_Isotopic_Weight	362.0144595
34192	Structure_Complexity	213
5284409	Structure_Complexity	350
22055193	Hydrogen_Bond_Acceptor_Count	2
10466948	TPSA	81.6
57288387	TPSA	110
7214	Undefined_Bond_Stereo_Count	1
8761	Covalent_Unit_Count	1
3878721	XLogP3-AA	1.9
25211988	XLogP3-AA	2
86187	XLogP3-AA	2
10048368	Exact_Mass	431.07575
12359154	Defined_Bond_Stereo_Count	0
10486803	Isotope_Atom_Count	0
13492441	Mono_Isotopic_Weight	109.063997236
141169621	Structure_Complexity	81.8
85576	Structure_Complexity	136
156970	Undefined_Bond_Stereo_Count	0
59296077	Defined_Bond_Stereo_Count	0
637541	Molecular_Weight	164.16
62545	Hydrogen_Bond_Acceptor_Count	5
12494777	Undefined_Bond_Stereo_Count	0
25023858	XLogP3-AA	4
2724235	Total_Formal_Charge	0
12278591	Non-hydrogen_Atom_Count	7
446807	Defined_Bond_Stereo_Count	0
5259899	Rotatable_Bond_Count	4
12400910	Hydrogen_Bond_Donor_Count	0
11366953	Exact_Mass	94.078250319
68616	Structure_Complexity	428
21051076	Defined_Bond_Stereo_Count	0
20100130	Isotope_Atom_Count	0
14151226	Non-hydrogen_Atom_Count	8
139079010	Mono_Isotopic_Weight	510.21144931
5359541	Covalent_Unit_Count	1
45055483	Covalent_Unit_Count	3
89800161	XLogP3-AA	7.5
58265166	Hydrogen_Bond_Donor_Count	5
51030053	Defined_Atom_Stereo_Count	0
51049607	Undefined_Atom_Stereo_Count	0
7985	Non-hydrogen_Atom_Count	25
200	Mono_Isotopic_Weight	338.06275045
9264	Exact_Mass	137.96316371
274070	Rotatable_Bond_Count	2
19985227	Hydrogen_Bond_Donor_Count	1
8099	Rotatable_Bond_Count	9
123358	Isotope_Atom_Count	0
592915	Isotope_Atom_Count	0
24180719	Structure_Complexity	648
12394846	Defined_Atom_Stereo_Count	0
91667979	Covalent_Unit_Count	1
132980806	Exact_Mass	1354.567399
4865	Molecular_Weight	414.4
81093	Undefined_Bond_Stereo_Count	0
3814068	XLogP3-AA	2.4
5284341	Molecular_Weight	205.68
82505	TPSA	40.9
161561	Molecular_Weight	430.9
240373	Mono_Isotopic_Weight	282.07866149
10938769	Undefined_Atom_Stereo_Count	0
3940691	Isotope_Atom_Count	0
161166	Isotope_Atom_Count	0
7441	Hydrogen_Bond_Acceptor_Count	3
6971070	Defined_Atom_Stereo_Count	0
59703148	Non-hydrogen_Atom_Count	8
5359624	XLogP3	6.1
125098	Defined_Atom_Stereo_Count	0
16003447	Molecular_Weight	286.29
58806257	Hydrogen_Bond_Acceptor_Count	1
146681133	Undefined_Atom_Stereo_Count	0
71312086	Total_Formal_Charge	0
21701560	Mono_Isotopic_Weight	331.0723690
118210808	Undefined_Atom_Stereo_Count	2
71464587	Exact_Mass	559.09135
72060	Non-hydrogen_Atom_Count	15
115069	Non-hydrogen_Atom_Count	24
154101	Undefined_Bond_Stereo_Count	0
15561185	XLogP3-AA	8.8
439950	Defined_Bond_Stereo_Count	0
8231	Total_Formal_Charge	0
69826668	XLogP3-AA	5.1
3290	Hydrogen_Bond_Acceptor_Count	3
96568	Tautomer_Count	3
15290	Total_Formal_Charge	0
255	Hydrogen_Bond_Acceptor_Count	8
95571	Covalent_Unit_Count	1
12353957	Structure_Complexity	84.2
453131	Exact_Mass	343.14197277
11029806	TPSA	43.4
137281577	Total_Formal_Charge	0
12412266	Molecular_Weight	100.12
348256	Isotope_Atom_Count	0
12647544	Covalent_Unit_Count	1
140112497	Covalent_Unit_Count	1
72	Tautomer_Count	10
15207340	Exact_Mass	118.099379685
12162479	Undefined_Bond_Stereo_Count	0
21139920	Defined_Atom_Stereo_Count	10
64350	Hydrogen_Bond_Donor_Count	3
19095	Molecular_Weight	494.5
12301	Exact_Mass	104.047344113
3690	Molecular_Weight	261.08
124328164	Exact_Mass	530.28796829
9862076	Hydrogen_Bond_Acceptor_Count	5
984396	TPSA	102
2006	Non-hydrogen_Atom_Count	17
134693241	Mono_Isotopic_Weight	383.20563565
97120	Defined_Atom_Stereo_Count	0
150986	Covalent_Unit_Count	1
56672299	Total_Formal_Charge	0
92	Isotope_Atom_Count	0
76321	Rotatable_Bond_Count	2
4092	Exact_Mass	160.133753817
13111185	TPSA	26.3
4759	Non-hydrogen_Atom_Count	25
159982	Total_Formal_Charge	0
11257	Non-hydrogen_Atom_Count	20
31233	Total_Formal_Charge	0
67030919	Structure_Complexity	68.6
686073	XLogP3-AA	2.9
240534	Defined_Atom_Stereo_Count	0
2448	Total_Formal_Charge	0
37541	Covalent_Unit_Count	1
11539725	Total_Formal_Charge	0
8502	Molecular_Weight	185.56
9051	Defined_Bond_Stereo_Count	0
12673	Covalent_Unit_Count	1
135400456	Defined_Bond_Stereo_Count	0
31200	Mono_Isotopic_Weight	277.01738065
643587	Total_Formal_Charge	0
146472812	Mono_Isotopic_Weight	486.0841144
25202592	Exact_Mass	129.078978594
18352756	Isotope_Atom_Count	0
10534631	Covalent_Unit_Count	1
6454737	Tautomer_Count	3
165413019	Exact_Mass	268.08076950
49869313	Non-hydrogen_Atom_Count	25
17356	TPSA	50.6
162639143	Covalent_Unit_Count	1
3226	TPSA	9.2
22842006	Isotope_Atom_Count	0
441141	Covalent_Unit_Count	1
54362	Hydrogen_Bond_Acceptor_Count	12
72165	Molecular_Weight	284.35
5367706	Hydrogen_Bond_Acceptor_Count	2
197006	Molecular_Weight	449.7
923638	Hydrogen_Bond_Donor_Count	3
124226575	Hydrogen_Bond_Donor_Count	7
942	Undefined_Atom_Stereo_Count	1
8185	Rotatable_Bond_Count	9
91845299	Hydrogen_Bond_Donor_Count	8
96301	Tautomer_Count	1
59022304	Isotope_Atom_Count	0
252163	XLogP3	0.8
57514685	Undefined_Bond_Stereo_Count	0
20684416	Covalent_Unit_Count	1
272714	Undefined_Atom_Stereo_Count	0
7015191	Hydrogen_Bond_Acceptor_Count	2
68940	Isotope_Atom_Count	0
140653	Undefined_Atom_Stereo_Count	1
30856	Non-hydrogen_Atom_Count	2
46451	TPSA	30.5
10899282	TPSA	110
57399125	Defined_Bond_Stereo_Count	0
23335962	Isotope_Atom_Count	0
4943	Mono_Isotopic_Weight	178.135765193
44229079	Defined_Bond_Stereo_Count	1
5111	Structure_Complexity	615
58091261	Structure_Complexity	86.1
15197399	Defined_Atom_Stereo_Count	0
14273	Hydrogen_Bond_Acceptor_Count	2
83023	Rotatable_Bond_Count	8
3033984	Total_Formal_Charge	0
17356	Covalent_Unit_Count	1
156693217	Undefined_Atom_Stereo_Count	1
30949	Undefined_Atom_Stereo_Count	0
5282211	Rotatable_Bond_Count	15
22986754	Molecular_Weight	112.17
24971342	Isotope_Atom_Count	0
688570	Structure_Complexity	284
93004	Non-hydrogen_Atom_Count	12
132420	TPSA	70
79856	Total_Formal_Charge	0
133633	Defined_Bond_Stereo_Count	0
13207481	Molecular_Weight	117.15
23724965	Tautomer_Count	2
66950	Defined_Atom_Stereo_Count	0
62773515	Rotatable_Bond_Count	1
12638	TPSA	29.3
69079	TPSA	17.1
6429604	Covalent_Unit_Count	1
166	Total_Formal_Charge	0
3016164	TPSA	32.3
74362	Non-hydrogen_Atom_Count	13
9969613	Defined_Bond_Stereo_Count	0
103687	Undefined_Atom_Stereo_Count	1
75358112	Undefined_Bond_Stereo_Count	0
3117357	Rotatable_Bond_Count	1
39727	Hydrogen_Bond_Acceptor_Count	2
5150303	Mono_Isotopic_Weight	330.0376063
69347719	TPSA	53
93002	Rotatable_Bond_Count	0
54684286	Exact_Mass	243.07428713
650625	Mono_Isotopic_Weight	268.06480570
54751657	Undefined_Atom_Stereo_Count	0
652019	Structure_Complexity	781
72760	Non-hydrogen_Atom_Count	18
6440938	Hydrogen_Bond_Donor_Count	1
155803776	Hydrogen_Bond_Acceptor_Count	6
5282549	Covalent_Unit_Count	1
13062961	Hydrogen_Bond_Donor_Count	1
147577	XLogP3-AA	3.9
71526	Exact_Mass	307.17317627
6070	Undefined_Atom_Stereo_Count	0
85653	Defined_Atom_Stereo_Count	0
122669	Total_Formal_Charge	0
5282200	Undefined_Bond_Stereo_Count	0
16106	XLogP3-AA	2.8
16832	Exact_Mass	158.130679813
166775	Exact_Mass	666.22185834
8875	Hydrogen_Bond_Donor_Count	1
69484	Isotope_Atom_Count	0
71986	Undefined_Bond_Stereo_Count	0
18414852	Isotope_Atom_Count	0
42627755	Hydrogen_Bond_Donor_Count	4
58024825	Structure_Complexity	705
135762717	Undefined_Bond_Stereo_Count	0
5281672	Rotatable_Bond_Count	1
10556	Mono_Isotopic_Weight	183.97490
122164129	Non-hydrogen_Atom_Count	8
39048	Isotope_Atom_Count	0
24892722	Structure_Complexity	151
94398	Hydrogen_Bond_Donor_Count	0
11235729	TPSA	90.4
83996	TPSA	122
11974213	TPSA	78
54871	Covalent_Unit_Count	2
44144477	Non-hydrogen_Atom_Count	115
158729741	Hydrogen_Bond_Acceptor_Count	4
85728	Rotatable_Bond_Count	1
152260	Isotope_Atom_Count	0
3055171	Rotatable_Bond_Count	4
89520	Defined_Atom_Stereo_Count	0
23725082	Mono_Isotopic_Weight	723.123265
92753	Hydrogen_Bond_Acceptor_Count	22
749824	Covalent_Unit_Count	1
11105310	Mono_Isotopic_Weight	92.026214747
65223	TPSA	124
13804280	Defined_Bond_Stereo_Count	0
123914282	Undefined_Bond_Stereo_Count	0
53803	Total_Formal_Charge	0
5367854	Undefined_Bond_Stereo_Count	0
59903796	Mono_Isotopic_Weight	100.052429494
15398666	Total_Formal_Charge	0
5224	Mono_Isotopic_Weight	447.26929854
398687	Undefined_Bond_Stereo_Count	0
13112619	Molecular_Weight	85.15
16211101	Undefined_Atom_Stereo_Count	0
128229	Exact_Mass	822.40378589
36688135	Defined_Bond_Stereo_Count	0
11957696	Mono_Isotopic_Weight	439.13582
6114	Isotope_Atom_Count	0
12874682	Hydrogen_Bond_Acceptor_Count	2
70682212	Rotatable_Bond_Count	4
71321	Undefined_Bond_Stereo_Count	0
16219	Rotatable_Bond_Count	16
123591	Exact_Mass	720
185554	Defined_Bond_Stereo_Count	0
62517	Molecular_Weight	578.4
53316407	Hydrogen_Bond_Donor_Count	0
6365	Mono_Isotopic_Weight	97.9690055
10046	Defined_Bond_Stereo_Count	0
12205	Undefined_Bond_Stereo_Count	0
10018576	Defined_Atom_Stereo_Count	0
107760	Rotatable_Bond_Count	9
70693116	Structure_Complexity	758
519946	Mono_Isotopic_Weight	86.073164938
65565	Tautomer_Count	45
11284169	Exact_Mass	543.26545920
58854	Total_Formal_Charge	0
7095	Structure_Complexity	100
67497	Mono_Isotopic_Weight	184.03467143
94834	Defined_Atom_Stereo_Count	0
11083822	Hydrogen_Bond_Acceptor_Count	1
24825271	Rotatable_Bond_Count	5
81426	Exact_Mass	166.06636548
8393	Tautomer_Count	1
72725	Molecular_Weight	212.20
572852	Hydrogen_Bond_Donor_Count	1
2176	XLogP3	4
15732693	Defined_Atom_Stereo_Count	0
20448997	Defined_Atom_Stereo_Count	0
117065485	Covalent_Unit_Count	1
88836	Defined_Atom_Stereo_Count	0
11228763	Hydrogen_Bond_Acceptor_Count	1
53956290	XLogP3-AA	3
11355449	Exact_Mass	103.099714038
58708317	Hydrogen_Bond_Acceptor_Count	8
22323434	Defined_Bond_Stereo_Count	0
164563	Non-hydrogen_Atom_Count	17
3672	Isotope_Atom_Count	0
13072114	Structure_Complexity	274
208	Mono_Isotopic_Weight	260.02971899
14388239	Rotatable_Bond_Count	1
825229	TPSA	116
23892	Isotope_Atom_Count	0
53948566	Rotatable_Bond_Count	7
17244	TPSA	17.1
10548	Defined_Atom_Stereo_Count	0
129630422	Hydrogen_Bond_Acceptor_Count	22
23625548	Defined_Bond_Stereo_Count	1
8014	Non-hydrogen_Atom_Count	5
61105	Non-hydrogen_Atom_Count	7
5283387	Exact_Mass	281.271864740
12546079	TPSA	27
14231	Non-hydrogen_Atom_Count	10
202050	XLogP3-AA	1.2
87642220	Hydrogen_Bond_Acceptor_Count	11
4604180	Rotatable_Bond_Count	8
44562492	TPSA	67
5365748	Structure_Complexity	197
57174031	Defined_Atom_Stereo_Count	1
15811016	Mono_Isotopic_Weight	182.018755
68027290	Total_Formal_Charge	0
10330781	Tautomer_Count	4
11285653	XLogP3-AA	3.6
9982	Molecular_Weight	163.26
63260	Rotatable_Bond_Count	4
9844225	TPSA	65.1
5283344	Non-hydrogen_Atom_Count	11
394428	Isotope_Atom_Count	0
638116	Exact_Mass	116.065741536
64502	Tautomer_Count	1
96237	Undefined_Atom_Stereo_Count	0
417452	Molecular_Weight	823.0
56	Undefined_Bond_Stereo_Count	8
3052762	Undefined_Bond_Stereo_Count	0
82650946	Non-hydrogen_Atom_Count	8
2723650	TPSA	56.2
2775510	Non-hydrogen_Atom_Count	22
12312963	Total_Formal_Charge	0
442072	Undefined_Bond_Stereo_Count	0
13593931	Exact_Mass	94.078250319
4870	Defined_Atom_Stereo_Count	0
18736933	Defined_Bond_Stereo_Count	0
154067559	Mono_Isotopic_Weight	84.021129366
60961	Defined_Bond_Stereo_Count	0
2690	Undefined_Atom_Stereo_Count	0
56953649	TPSA	82
11550004	Defined_Atom_Stereo_Count	0
139057938	Defined_Atom_Stereo_Count	0
109014	Defined_Atom_Stereo_Count	0
10240761	Covalent_Unit_Count	1
6603720	Hydrogen_Bond_Acceptor_Count	3
15575778	Covalent_Unit_Count	1
17131	Rotatable_Bond_Count	0
14859157	Undefined_Bond_Stereo_Count	0
220401	Undefined_Atom_Stereo_Count	0
49849523	Structure_Complexity	415
148546155	TPSA	64.9
75358112	Mono_Isotopic_Weight	405.25873385
14180	Covalent_Unit_Count	1
609	Rotatable_Bond_Count	3
21677759	Exact_Mass	302.13923312
55291303	Hydrogen_Bond_Acceptor_Count	2
12245594	Exact_Mass	92.062600255
10802	Isotope_Atom_Count	0
60575	Exact_Mass	370.20565627
5354325	Total_Formal_Charge	0
441306	Molecular_Weight	475.6
53364498	XLogP3-AA	5.5
11102	Rotatable_Bond_Count	22
8354	TPSA	57.6
11007862	Defined_Bond_Stereo_Count	0
5324168	Rotatable_Bond_Count	2
14647	XLogP3-AA	4.7
56929801	Undefined_Bond_Stereo_Count	0
123776311	Structure_Complexity	150
123642549	Undefined_Atom_Stereo_Count	0
13883023	Mono_Isotopic_Weight	1483.406877
9927058	TPSA	92.2
17779	Isotope_Atom_Count	0
15907	Hydrogen_Bond_Acceptor_Count	2
68940	Undefined_Bond_Stereo_Count	0
13264589	Total_Formal_Charge	0
8314	Total_Formal_Charge	0
519793	Undefined_Atom_Stereo_Count	0
2723610	Mono_Isotopic_Weight	342.11621151
5463858	Defined_Bond_Stereo_Count	0
441328	Structure_Complexity	461
9973981	TPSA	21.7
53235510	TPSA	95.1
10469079	Defined_Bond_Stereo_Count	0
21227	Exact_Mass	114.068079557
10960	Defined_Bond_Stereo_Count	0
23681559	Tautomer_Count	6
108147	Hydrogen_Bond_Acceptor_Count	12
5742590	Total_Formal_Charge	0
56840904	Hydrogen_Bond_Acceptor_Count	6
10057477	Molecular_Weight	115.13
129913833	Rotatable_Bond_Count	1
124600	Rotatable_Bond_Count	4
61100	Undefined_Atom_Stereo_Count	0
19830271	Defined_Atom_Stereo_Count	0
96809	Isotope_Atom_Count	0
139352	TPSA	54.4
98633	Rotatable_Bond_Count	3
156618073	Isotope_Atom_Count	0
53441735	Undefined_Bond_Stereo_Count	0
12001831	TPSA	97.3
45138674	Hydrogen_Bond_Donor_Count	1
13613	XLogP3	0.9
23525700	Isotope_Atom_Count	0
101771	Undefined_Bond_Stereo_Count	0
18668047	Hydrogen_Bond_Donor_Count	1
740525	Defined_Atom_Stereo_Count	1
6993773	Covalent_Unit_Count	1
5423	Undefined_Atom_Stereo_Count	1
24254	Rotatable_Bond_Count	3
5477635	Covalent_Unit_Count	1
123265201	Defined_Bond_Stereo_Count	0
53869158	Undefined_Atom_Stereo_Count	0
78747	Isotope_Atom_Count	0
13973648	Exact_Mass	147.08954328
9010	Hydrogen_Bond_Acceptor_Count	9
24312	TPSA	12.9
71839	XLogP3-AA	0.5
23675339	Undefined_Bond_Stereo_Count	0
89054492	Hydrogen_Bond_Acceptor_Count	2
135392460	Rotatable_Bond_Count	0
64371	Hydrogen_Bond_Acceptor_Count	1
8606	Total_Formal_Charge	0
18336916	Covalent_Unit_Count	1
90427261	Rotatable_Bond_Count	2
11263471	Undefined_Bond_Stereo_Count	0
20429663	Rotatable_Bond_Count	1
24723	Defined_Bond_Stereo_Count	0
4616292	Undefined_Atom_Stereo_Count	5
114880	Exact_Mass	510.30401228
25171648	Undefined_Atom_Stereo_Count	0
117717938	Defined_Atom_Stereo_Count	1
64658	Covalent_Unit_Count	2
3004	Rotatable_Bond_Count	6
1034	Isotope_Atom_Count	0
66576988	Rotatable_Bond_Count	8
564527	Hydrogen_Bond_Donor_Count	0
12248518	Hydrogen_Bond_Donor_Count	0
36976	Covalent_Unit_Count	1
68009582	Defined_Bond_Stereo_Count	0
2735038	Mono_Isotopic_Weight	114.031694049
9904746	Total_Formal_Charge	0
15279	Molecular_Weight	207.23
77342	Isotope_Atom_Count	0
5702144	Undefined_Atom_Stereo_Count	0
267210	Hydrogen_Bond_Acceptor_Count	3
16686	TPSA	0
81472	Undefined_Atom_Stereo_Count	0
23663969	Tautomer_Count	152
135011791	Undefined_Bond_Stereo_Count	0
518818	Hydrogen_Bond_Donor_Count	0
56769	TPSA	0
16220172	Isotope_Atom_Count	0
65079	Covalent_Unit_Count	1
155794	Structure_Complexity	387
4580	Hydrogen_Bond_Acceptor_Count	6
73755261	Undefined_Atom_Stereo_Count	1
76959818	Total_Formal_Charge	1
16492	Isotope_Atom_Count	0
192155	Total_Formal_Charge	0
3085218	Total_Formal_Charge	0
750287	Isotope_Atom_Count	0
47825	Defined_Atom_Stereo_Count	0
5815211	Exact_Mass	514.01091900
138517092	Undefined_Atom_Stereo_Count	0
10157484	Hydrogen_Bond_Acceptor_Count	3
50077	Total_Formal_Charge	0
158786	Hydrogen_Bond_Donor_Count	4
66624434	Hydrogen_Bond_Acceptor_Count	4
86289378	Isotope_Atom_Count	0
138860	XLogP3-AA	1.6
240534	Hydrogen_Bond_Acceptor_Count	2
5353593	Total_Formal_Charge	0
6872	XLogP3	3.3
89708952	Rotatable_Bond_Count	0
44521022	Mono_Isotopic_Weight	453.21647512
9472	Defined_Atom_Stereo_Count	0
141993	Total_Formal_Charge	0
72943	Isotope_Atom_Count	0
57351929	Total_Formal_Charge	0
118916	TPSA	127
447340	Covalent_Unit_Count	1
23682789	Exact_Mass	452.09440780
8069	Hydrogen_Bond_Acceptor_Count	2
17818	Defined_Atom_Stereo_Count	0
6749	Total_Formal_Charge	0
53893761	Undefined_Bond_Stereo_Count	0
21611	Hydrogen_Bond_Acceptor_Count	2
713	Rotatable_Bond_Count	0
43312181	Rotatable_Bond_Count	2
68790	Defined_Bond_Stereo_Count	0
67940	Undefined_Bond_Stereo_Count	0
59904965	Hydrogen_Bond_Acceptor_Count	0
24822701	Isotope_Atom_Count	0
653145	Total_Formal_Charge	0
3283968	Structure_Complexity	74.1
33733	Exact_Mass	426.37091007
6419765	Non-hydrogen_Atom_Count	18
131634760	Defined_Bond_Stereo_Count	0
527511	Structure_Complexity	62.8
334657	Rotatable_Bond_Count	6
11749756	Defined_Bond_Stereo_Count	0
62873	Hydrogen_Bond_Acceptor_Count	6
41575	TPSA	66.4
10850	XLogP3-AA	8.9
5365794	Hydrogen_Bond_Donor_Count	0
14663555	Defined_Atom_Stereo_Count	0
60196396	Isotope_Atom_Count	0
16065257	Exact_Mass	428.15584919
688378	Rotatable_Bond_Count	4
1603	Structure_Complexity	794
440210	Non-hydrogen_Atom_Count	57
429	TPSA	155
155346	Molecular_Weight	287.36
69440016	TPSA	121
97226	Rotatable_Bond_Count	1
7043900	Covalent_Unit_Count	1
90479798	Structure_Complexity	1940
157568	Non-hydrogen_Atom_Count	7
11719407	Undefined_Atom_Stereo_Count	0
13843	TPSA	50.1
19425	Molecular_Weight	80.09
893322	TPSA	92.9
10478	Isotope_Atom_Count	0
57091294	Hydrogen_Bond_Acceptor_Count	3
40589	Non-hydrogen_Atom_Count	26
4760	Defined_Bond_Stereo_Count	0
10528103	Undefined_Atom_Stereo_Count	1
14920524	Total_Formal_Charge	0
126843213	Undefined_Bond_Stereo_Count	0
27295	Defined_Atom_Stereo_Count	0
10224595	Undefined_Atom_Stereo_Count	0
70403801	Molecular_Weight	228.27
131634493	Undefined_Bond_Stereo_Count	0
7225	XLogP3-AA	2.2
9964	TPSA	26
19130	Rotatable_Bond_Count	5
419490	Isotope_Atom_Count	0
20542700	Total_Formal_Charge	0
88210	Undefined_Atom_Stereo_Count	0
47811	Non-hydrogen_Atom_Count	22
141643	Defined_Atom_Stereo_Count	0
3744660	Structure_Complexity	220
53643991	Hydrogen_Bond_Donor_Count	2
40855	Covalent_Unit_Count	1
99033	Hydrogen_Bond_Acceptor_Count	5
21492261	Covalent_Unit_Count	1
69528681	Total_Formal_Charge	0
51371732	Undefined_Atom_Stereo_Count	0
517546	Molecular_Weight	225.3
71312086	TPSA	98
6735	Defined_Atom_Stereo_Count	0
1364	XLogP3-AA	6.2
89027467	Hydrogen_Bond_Donor_Count	0
4180	TPSA	138
2954	TPSA	116
66494	Total_Formal_Charge	0
12636118	Total_Formal_Charge	0
40973	Isotope_Atom_Count	0
18757800	Isotope_Atom_Count	0
102306506	Defined_Atom_Stereo_Count	4
129710762	TPSA	59.1
84434	Total_Formal_Charge	0
56654130	Undefined_Bond_Stereo_Count	0
130114929	Molecular_Weight	82.10
539244	Mono_Isotopic_Weight	478.20029610
5484736	Mono_Isotopic_Weight	389.04503815
13635047	XLogP3-AA	0.2
10612	Undefined_Atom_Stereo_Count	0
258	Hydrogen_Bond_Acceptor_Count	7
280526	Defined_Atom_Stereo_Count	0
21331354	Undefined_Atom_Stereo_Count	1
75427	Rotatable_Bond_Count	5
12888	Isotope_Atom_Count	0
55416	Undefined_Bond_Stereo_Count	0
78373	Tautomer_Count	1
672296	Hydrogen_Bond_Donor_Count	0
5488638	Structure_Complexity	1790
23678	Undefined_Atom_Stereo_Count	0
11271	Covalent_Unit_Count	1
34327	Total_Formal_Charge	0
3966	TPSA	6.5
11705034	Exact_Mass	447.1855608
31247	Mono_Isotopic_Weight	114.068079557
704233	TPSA	69.6
86054107	Total_Formal_Charge	0
129703	Molecular_Weight	186.25
20165534	Rotatable_Bond_Count	0
108675	Molecular_Weight	179.02
53262295	Covalent_Unit_Count	2
66602654	XLogP3-AA	0
521962	Exact_Mass	110.109550447
11865437	Isotope_Atom_Count	0
119339	Hydrogen_Bond_Donor_Count	9
6950273	Rotatable_Bond_Count	2
20483595	Exact_Mass	106.053098200
5284570	TPSA	49.8
56634286	Non-hydrogen_Atom_Count	8
16760390	Mono_Isotopic_Weight	100.052429494
9421	Non-hydrogen_Atom_Count	28
129010338	Exact_Mass	416.32904526
54231313	Total_Formal_Charge	0
57048209	TPSA	20.2
59791	Covalent_Unit_Count	1
54421	Defined_Bond_Stereo_Count	0
59330719	Undefined_Bond_Stereo_Count	0
89127533	Total_Formal_Charge	0
66254	Exact_Mass	192.0015015
12434709	XLogP3-AA	1.1
10261049	Undefined_Bond_Stereo_Count	0
725300	Structure_Complexity	434
6420378	Non-hydrogen_Atom_Count	7
13641	Hydrogen_Bond_Acceptor_Count	4
78493	Hydrogen_Bond_Acceptor_Count	1
4651115	Covalent_Unit_Count	4
70695760	Covalent_Unit_Count	1
10126019	Rotatable_Bond_Count	7
9568069	XLogP3	1
87292009	Mono_Isotopic_Weight	110.073164938
122522140	Defined_Atom_Stereo_Count	2
93032	Defined_Bond_Stereo_Count	0
54760134	Structure_Complexity	683
10251906	Covalent_Unit_Count	1
51392	Hydrogen_Bond_Acceptor_Count	2
8306	Defined_Atom_Stereo_Count	0
3080714	Non-hydrogen_Atom_Count	32
18374068	Defined_Bond_Stereo_Count	0
76981	Undefined_Bond_Stereo_Count	0
852	Covalent_Unit_Count	1
19888379	Defined_Bond_Stereo_Count	0
225936	Hydrogen_Bond_Acceptor_Count	2
62788	Defined_Bond_Stereo_Count	0
23666342	Covalent_Unit_Count	2
1548986	TPSA	56.8
153684851	Rotatable_Bond_Count	2
6917674	Mono_Isotopic_Weight	514.10931017
15643399	Undefined_Bond_Stereo_Count	0
19595920	Defined_Bond_Stereo_Count	0
91480910	Defined_Bond_Stereo_Count	0
130232326	Non-hydrogen_Atom_Count	38
19995942	Covalent_Unit_Count	1
170944	Hydrogen_Bond_Donor_Count	1
455798	TPSA	138
25674	Isotope_Atom_Count	0
1964	Defined_Bond_Stereo_Count	0
8901	Defined_Atom_Stereo_Count	0
10240766	Hydrogen_Bond_Donor_Count	0
521983	Structure_Complexity	93.5
82220	Total_Formal_Charge	0
555192	Rotatable_Bond_Count	2
60835	XLogP3-AA	4.3
12559270	Total_Formal_Charge	0
60196287	Defined_Bond_Stereo_Count	0
20056755	Undefined_Bond_Stereo_Count	0
78431	Exact_Mass	239.09799996
5351560	Exact_Mass	1182.50943272
40550	Covalent_Unit_Count	1
67873	TPSA	0
5462077	Isotope_Atom_Count	0
66776828	Isotope_Atom_Count	0
4076	Defined_Atom_Stereo_Count	0
11060	Undefined_Atom_Stereo_Count	0
83095	Non-hydrogen_Atom_Count	10
54586719	Non-hydrogen_Atom_Count	22
558889	Defined_Bond_Stereo_Count	0
12270070	Mono_Isotopic_Weight	87.068413911
23971	Hydrogen_Bond_Acceptor_Count	0
12962868	Structure_Complexity	98.4
593919	TPSA	50.2
65774	Rotatable_Bond_Count	1
83572	Non-hydrogen_Atom_Count	8
16682730	Undefined_Atom_Stereo_Count	0
134819291	Isotope_Atom_Count	0
709612	Undefined_Atom_Stereo_Count	0
124886	Undefined_Atom_Stereo_Count	0
639970	Isotope_Atom_Count	0
54687420	Mono_Isotopic_Weight	249.03632541
13333	Molecular_Weight	358.4
8473	Isotope_Atom_Count	0
53664307	Mono_Isotopic_Weight	102.079312947
9103	Structure_Complexity	470
12589	Total_Formal_Charge	0
529435	Non-hydrogen_Atom_Count	13
20336998	Mono_Isotopic_Weight	101.120449483
11477652	Undefined_Atom_Stereo_Count	0
44345559	Covalent_Unit_Count	1
3891	Isotope_Atom_Count	0
25015463	Hydrogen_Bond_Acceptor_Count	8
13015037	Hydrogen_Bond_Acceptor_Count	6
94021	Total_Formal_Charge	0
65605	XLogP3	2.6
10483883	Isotope_Atom_Count	0
1083	Defined_Bond_Stereo_Count	0
8644	Tautomer_Count	1
157355	Exact_Mass	344.13186158
21075	Covalent_Unit_Count	1
64247	Undefined_Atom_Stereo_Count	0
119418	Undefined_Atom_Stereo_Count	0
327216	Non-hydrogen_Atom_Count	7
2978	Hydrogen_Bond_Donor_Count	1
95005	Undefined_Atom_Stereo_Count	0
19693	Hydrogen_Bond_Acceptor_Count	17
197835	Rotatable_Bond_Count	3
54500069	Defined_Atom_Stereo_Count	0
127909	Total_Formal_Charge	0
504659	Isotope_Atom_Count	0
27982	Rotatable_Bond_Count	2
289151	Mono_Isotopic_Weight	204.187800766
6931310	Molecular_Weight	268.33
5717	XLogP3-AA	5.5
5281168	Covalent_Unit_Count	1
134715568	Undefined_Bond_Stereo_Count	0
16048558	Undefined_Bond_Stereo_Count	0
45358158	Undefined_Atom_Stereo_Count	3
40926	Total_Formal_Charge	0
16688300	Undefined_Atom_Stereo_Count	0
9793707	Rotatable_Bond_Count	0
2724	Mono_Isotopic_Weight	245.0454856
17734	Mono_Isotopic_Weight	255.12190603
42580057	Non-hydrogen_Atom_Count	23
10754	Hydrogen_Bond_Donor_Count	4
9798222	Tautomer_Count	7
12453026	Isotope_Atom_Count	0
8512	Molecular_Weight	224.21
58737	Hydrogen_Bond_Acceptor_Count	2
58621611	Total_Formal_Charge	0
19910150	XLogP3-AA	0.5
49868142	Structure_Complexity	12
5015	Non-hydrogen_Atom_Count	19
10160238	Structure_Complexity	471
54111	Defined_Bond_Stereo_Count	0
31260	Isotope_Atom_Count	0
91826482	Mono_Isotopic_Weight	444.0906928
5978	TPSA	171
6341	Isotope_Atom_Count	0
4518	Hydrogen_Bond_Donor_Count	2
64778	Undefined_Atom_Stereo_Count	0
403647	Structure_Complexity	328
53671850	Total_Formal_Charge	0
137909	Defined_Bond_Stereo_Count	0
129734884	TPSA	207
90066559	Exact_Mass	100.100048391
60196259	Non-hydrogen_Atom_Count	35
58902739	Defined_Bond_Stereo_Count	0
2433	Structure_Complexity	1910
21026	Undefined_Atom_Stereo_Count	0
92764	Exact_Mass	254.109550447
289847	Total_Formal_Charge	0
46205408	Hydrogen_Bond_Acceptor_Count	8
473148	Structure_Complexity	226
3779	Mono_Isotopic_Weight	211.12084340
9117	Hydrogen_Bond_Donor_Count	0
6175	Total_Formal_Charge	0
158638	Hydrogen_Bond_Acceptor_Count	5
3296738	XLogP3-AA	2.4
31237	Defined_Atom_Stereo_Count	0
543881	Hydrogen_Bond_Acceptor_Count	1
71448903	Mono_Isotopic_Weight	851.17272513
8157	Defined_Atom_Stereo_Count	0
9425	Non-hydrogen_Atom_Count	37
2724170	Isotope_Atom_Count	0
526	TPSA	365
411	Defined_Atom_Stereo_Count	0
5353500	Non-hydrogen_Atom_Count	35
4201	Exact_Mass	209.12766012
85779440	XLogP3-AA	0.1
73425158	Undefined_Bond_Stereo_Count	0
25010550	Undefined_Atom_Stereo_Count	0
9548714	Covalent_Unit_Count	1
56623	Exact_Mass	309.03541696
18471709	Rotatable_Bond_Count	3
24848341	Mono_Isotopic_Weight	285.14254485
80302	Undefined_Bond_Stereo_Count	1
15239355	Mono_Isotopic_Weight	87.032028402
18506396	Non-hydrogen_Atom_Count	8
21751982	Molecular_Weight	117.15
51030897	Covalent_Unit_Count	1
151171	Hydrogen_Bond_Acceptor_Count	3
20096805	Mono_Isotopic_Weight	101.047678466
9949821	Covalent_Unit_Count	1
164486	Structure_Complexity	248
123963	Hydrogen_Bond_Acceptor_Count	3
54272	Mono_Isotopic_Weight	304.109944368
51930	Tautomer_Count	1
17884104	Isotope_Atom_Count	0
536086	Hydrogen_Bond_Acceptor_Count	2
21868890	XLogP3-AA	1.4
90978	Hydrogen_Bond_Donor_Count	0
143552208	Defined_Bond_Stereo_Count	0
12836760	Hydrogen_Bond_Acceptor_Count	3
17480032	Molecular_Weight	343.36
124112720	Defined_Bond_Stereo_Count	0
3938007	Mono_Isotopic_Weight	257.17662169
10134310	Exact_Mass	379.12019195
118499237	Rotatable_Bond_Count	3
9090	Molecular_Weight	160.3
96405	Covalent_Unit_Count	1
117768413	Structure_Complexity	151
11274356	Tautomer_Count	9
4909	Mono_Isotopic_Weight	218.105527694
5310967	XLogP3	1.1
9841854	Undefined_Atom_Stereo_Count	0
138335	Covalent_Unit_Count	1
70689351	Isotope_Atom_Count	0
22138511	Covalent_Unit_Count	1
160435	Hydrogen_Bond_Acceptor_Count	2
9464	Undefined_Atom_Stereo_Count	0
449362	Exact_Mass	991.32922577
17215	Undefined_Atom_Stereo_Count	0
86278355	Rotatable_Bond_Count	31
16219903	Exact_Mass	614.38186868
8108	Hydrogen_Bond_Acceptor_Count	1
135564527	Undefined_Atom_Stereo_Count	0
49765077	Undefined_Atom_Stereo_Count	0
54793	XLogP3-AA	3.8
3554	Hydrogen_Bond_Donor_Count	3
4962721	Rotatable_Bond_Count	1
12865	Hydrogen_Bond_Acceptor_Count	2
83433	Molecular_Weight	556.7
20138187	Molecular_Weight	111.11
66117	Isotope_Atom_Count	0
70580528	Isotope_Atom_Count	0
45116667	XLogP3-AA	0.4
3213	Isotope_Atom_Count	0
8946	Undefined_Bond_Stereo_Count	0
10701806	Molecular_Weight	114.14
148431	Defined_Bond_Stereo_Count	0
88984133	Exact_Mass	104.094963011
4348	Molecular_Weight	151.21
107144	Isotope_Atom_Count	0
6948	Isotope_Atom_Count	0
61868	Mono_Isotopic_Weight	118.099379685
5526	Covalent_Unit_Count	1
6918493	Molecular_Weight	378.4
320410	Defined_Bond_Stereo_Count	0
21691039	Defined_Atom_Stereo_Count	0
10197612	Hydrogen_Bond_Donor_Count	0
10394740	Structure_Complexity	1150
536683	Total_Formal_Charge	0
441141	Hydrogen_Bond_Donor_Count	19
703047	Total_Formal_Charge	0
5384293	Defined_Atom_Stereo_Count	0
74789	TPSA	77.3
2898	Hydrogen_Bond_Acceptor_Count	4
13373005	Molecular_Weight	434.4
221493	Rotatable_Bond_Count	4
1412	Total_Formal_Charge	0
16540	Covalent_Unit_Count	1
68717	Hydrogen_Bond_Acceptor_Count	4
2776666	Covalent_Unit_Count	1
61660	Tautomer_Count	1
15811016	Covalent_Unit_Count	3
102004571	Isotope_Atom_Count	0
135424747	Exact_Mass	676.11560492
1385867	Mono_Isotopic_Weight	102.128274515
87355672	Structure_Complexity	93.8
17940308	Covalent_Unit_Count	1
64617	Mono_Isotopic_Weight	276.183778013
4369359	Defined_Bond_Stereo_Count	0
11252	Defined_Atom_Stereo_Count	0
117841973	TPSA	45.6
4158	Exact_Mass	233.141578849
13444042	Molecular_Weight	108.14
70060	Hydrogen_Bond_Donor_Count	3
13520	Mono_Isotopic_Weight	210.0515378
5359272	Hydrogen_Bond_Donor_Count	1
82343	Rotatable_Bond_Count	6
6918091	Defined_Bond_Stereo_Count	0
12232	Isotope_Atom_Count	0
12699282	TPSA	9.2
23662389	Molecular_Weight	361.31
11417	Undefined_Bond_Stereo_Count	0
61191	Covalent_Unit_Count	1
131704	Hydrogen_Bond_Acceptor_Count	8
23680530	Tautomer_Count	6
351155	Undefined_Atom_Stereo_Count	0
23783	Defined_Atom_Stereo_Count	0
71362	Non-hydrogen_Atom_Count	96
13235329	TPSA	0
261491	Undefined_Atom_Stereo_Count	0
54594759	Covalent_Unit_Count	1
65963	Defined_Bond_Stereo_Count	0
21466942	Mono_Isotopic_Weight	103.063328530
5392	Molecular_Weight	466.5
91143491	Structure_Complexity	97.1
4996382	Isotope_Atom_Count	0
10175126	Non-hydrogen_Atom_Count	41
5283349	Undefined_Atom_Stereo_Count	0
102594	Hydrogen_Bond_Donor_Count	1
20965	Rotatable_Bond_Count	6
118210244	Undefined_Bond_Stereo_Count	0
23679441	Rotatable_Bond_Count	8
6819	Undefined_Bond_Stereo_Count	0
12284	Defined_Atom_Stereo_Count	0
59999517	Mono_Isotopic_Weight	113.047678466
34799	Mono_Isotopic_Weight	205.146664230
71309905	Hydrogen_Bond_Donor_Count	5
45040316	Structure_Complexity	457
821598	Hydrogen_Bond_Donor_Count	1
102552746	Undefined_Bond_Stereo_Count	0
50317	XLogP3-AA	3.6
60196284	Non-hydrogen_Atom_Count	31
535504	Non-hydrogen_Atom_Count	8
5273472	Total_Formal_Charge	0
73921	Covalent_Unit_Count	1
4135	XLogP3-AA	7.1
81093	XLogP3-AA	1.7
565472	Non-hydrogen_Atom_Count	11
10475633	Non-hydrogen_Atom_Count	28
77051	XLogP3-AA	1.4
21873275	Defined_Bond_Stereo_Count	0
101513786	Defined_Bond_Stereo_Count	0
89240655	XLogP3-AA	1.1
62336	Hydrogen_Bond_Acceptor_Count	2
12185	Non-hydrogen_Atom_Count	7
24848068	Undefined_Bond_Stereo_Count	0
88267	Undefined_Bond_Stereo_Count	0
81867	Isotope_Atom_Count	0
562683	Structure_Complexity	386
3033856	Molecular_Weight	320.42
52918379	Structure_Complexity	617
5487068	Covalent_Unit_Count	5
5384200	Undefined_Bond_Stereo_Count	0
45116609	Undefined_Bond_Stereo_Count	0
12453026	Undefined_Bond_Stereo_Count	0
51683	Isotope_Atom_Count	0
5462328	Covalent_Unit_Count	1
45267632	Structure_Complexity	743
1967	Rotatable_Bond_Count	6
84954	Covalent_Unit_Count	1
20232381	Undefined_Bond_Stereo_Count	0
117683867	Defined_Atom_Stereo_Count	11
7877	Defined_Bond_Stereo_Count	0
4160	Exact_Mass	302.224580195
193581	Defined_Bond_Stereo_Count	0
48920	Exact_Mass	283.157228913
12306254	Non-hydrogen_Atom_Count	7
65710	Non-hydrogen_Atom_Count	27
16130571	Undefined_Atom_Stereo_Count	0
71683048	Total_Formal_Charge	0
11693901	Exact_Mass	114.031694049
77058	XLogP3-AA	3.2
162904206	Total_Formal_Charge	0
22078297	Hydrogen_Bond_Donor_Count	0
39327	Defined_Atom_Stereo_Count	0
55290981	Structure_Complexity	121
65280	Molecular_Weight	295.32
95083	Hydrogen_Bond_Donor_Count	1
10040	Isotope_Atom_Count	0
12355883	Undefined_Atom_Stereo_Count	0
53321481	XLogP3-AA	3.1
23668479	Exact_Mass	482.11162741
18719	Isotope_Atom_Count	0
30541	Non-hydrogen_Atom_Count	20
19657	Molecular_Weight	216.20
1877	Rotatable_Bond_Count	16
23389448	Isotope_Atom_Count	0
10952	Covalent_Unit_Count	1
14813	Defined_Atom_Stereo_Count	0
43157	Covalent_Unit_Count	1
533432	Defined_Bond_Stereo_Count	0
19991465	Undefined_Bond_Stereo_Count	0
137249786	Covalent_Unit_Count	1
30039	Exact_Mass	296.1291556
13351	Undefined_Bond_Stereo_Count	0
97341	Defined_Bond_Stereo_Count	0
13118	Exact_Mass	360.08183212
5068681	Hydrogen_Bond_Donor_Count	3
224392	Defined_Atom_Stereo_Count	0
95578	Isotope_Atom_Count	0
4830	Isotope_Atom_Count	0
22123474	Undefined_Atom_Stereo_Count	1
3584	XLogP3-AA	2.7
819291	Non-hydrogen_Atom_Count	8
54677977	Rotatable_Bond_Count	2
7920	Structure_Complexity	128
75505	Defined_Atom_Stereo_Count	0
3776755	Hydrogen_Bond_Acceptor_Count	0
15576830	Mono_Isotopic_Weight	98.084398327
164330	Mono_Isotopic_Weight	1397.576390
11115032	Total_Formal_Charge	0
5282796	Covalent_Unit_Count	1
46470	Tautomer_Count	2
692352	Non-hydrogen_Atom_Count	19
19543	Defined_Atom_Stereo_Count	0
130144234	Molecular_Weight	96.13
70377524	Defined_Atom_Stereo_Count	0
5362457	Molecular_Weight	585.8
101944072	Defined_Bond_Stereo_Count	0
89613815	Undefined_Bond_Stereo_Count	1
26249	Defined_Bond_Stereo_Count	0
65328	Defined_Bond_Stereo_Count	0
15222234	Covalent_Unit_Count	1
24874	TPSA	26
65987055	Exact_Mass	99.068413911
4501	Undefined_Atom_Stereo_Count	0
13334205	Covalent_Unit_Count	1
3081185	Molecular_Weight	283.34
443403	Structure_Complexity	467
82513	Defined_Atom_Stereo_Count	0
5535	TPSA	378
22386270	TPSA	44.3
44339155	Exact_Mass	458.22392874
95512	Hydrogen_Bond_Acceptor_Count	1
12415	Total_Formal_Charge	0
71587288	TPSA	99
76241	Hydrogen_Bond_Donor_Count	0
11315250	Total_Formal_Charge	0
59503407	Molecular_Weight	193.16
21572608	Covalent_Unit_Count	1
454937	Undefined_Atom_Stereo_Count	1
10946	Hydrogen_Bond_Acceptor_Count	3
5313988	Exact_Mass	522.35596503
23527	Molecular_Weight	114.19
7165	Rotatable_Bond_Count	3
135411	Mono_Isotopic_Weight	398.18819469
5486172	Hydrogen_Bond_Donor_Count	6
9929430	Covalent_Unit_Count	1
91585	Undefined_Atom_Stereo_Count	1
123618	Covalent_Unit_Count	1
11843	Undefined_Atom_Stereo_Count	0
21328181	Hydrogen_Bond_Donor_Count	2
10027822	Molecular_Weight	473.5
224833	Rotatable_Bond_Count	2
11550045	Undefined_Atom_Stereo_Count	1
55300430	Covalent_Unit_Count	1
13668	Hydrogen_Bond_Donor_Count	3
3644	Molecular_Weight	440.4
7092	Defined_Bond_Stereo_Count	0
14168316	Undefined_Bond_Stereo_Count	0
135438424	Non-hydrogen_Atom_Count	41
66073187	Molecular_Weight	113.16
9988	XLogP3-AA	0.9
256539	Structure_Complexity	345
139852	Rotatable_Bond_Count	2
66545744	Isotope_Atom_Count	0
122214398	Undefined_Bond_Stereo_Count	0
67736	Mono_Isotopic_Weight	945.85178
71827	Exact_Mass	242.105527694
13848132	Non-hydrogen_Atom_Count	7
6437064	Non-hydrogen_Atom_Count	50
25608	TPSA	0
3527810	Hydrogen_Bond_Donor_Count	2
54789	Tautomer_Count	1
10493732	Hydrogen_Bond_Donor_Count	2
49787489	Undefined_Bond_Stereo_Count	0
91281	Exact_Mass	155.094628657
140511	Hydrogen_Bond_Acceptor_Count	1
7794	Tautomer_Count	2
75614	Isotope_Atom_Count	0
69503325	Hydrogen_Bond_Donor_Count	4
57474	Defined_Bond_Stereo_Count	0
5311067	Hydrogen_Bond_Donor_Count	2
115171944	Covalent_Unit_Count	1
11622909	XLogP3-AA	1.4
59907918	Hydrogen_Bond_Acceptor_Count	11
71258	Hydrogen_Bond_Acceptor_Count	6
48889	Undefined_Atom_Stereo_Count	0
535532	Covalent_Unit_Count	1
60977	XLogP3-AA	3.9
12579408	Undefined_Atom_Stereo_Count	2
16669	Non-hydrogen_Atom_Count	14
122074	Rotatable_Bond_Count	0
56928187	Non-hydrogen_Atom_Count	17
32439	Isotope_Atom_Count	0
12497562	Mono_Isotopic_Weight	96.057514874
10242	Structure_Complexity	327
2435	Undefined_Bond_Stereo_Count	0
22013147	Defined_Atom_Stereo_Count	0
6539304	XLogP3-AA	3
139026056	Exact_Mass	342.11621151
20253286	Hydrogen_Bond_Donor_Count	1
20435	Hydrogen_Bond_Acceptor_Count	5
22721510	Exact_Mass	109.016378338
18923031	Rotatable_Bond_Count	0
64247	Isotope_Atom_Count	0
78490	Hydrogen_Bond_Donor_Count	0
117072357	TPSA	231
66582	Exact_Mass	173.047678466
67512	Molecular_Weight	112.17
142186967	Undefined_Atom_Stereo_Count	4
167693	Undefined_Atom_Stereo_Count	0
60168629	Hydrogen_Bond_Donor_Count	1
123888456	Covalent_Unit_Count	1
66942740	Isotope_Atom_Count	0
534959	Mono_Isotopic_Weight	98.073164938
143647928	Covalent_Unit_Count	1
45259044	Non-hydrogen_Atom_Count	36
263639	Covalent_Unit_Count	1
5451	Non-hydrogen_Atom_Count	35
11569	Molecular_Weight	136.15
10964417	Total_Formal_Charge	0
349711	Hydrogen_Bond_Acceptor_Count	3
174251	Rotatable_Bond_Count	19
444746	Undefined_Atom_Stereo_Count	0
443183	Covalent_Unit_Count	1
706326	Mono_Isotopic_Weight	212.02197570
7435	Undefined_Atom_Stereo_Count	0
54502555	Undefined_Atom_Stereo_Count	1
825784	Exact_Mass	248.04119
96420	Hydrogen_Bond_Donor_Count	1
134687781	Mono_Isotopic_Weight	803.48197664
83949	Hydrogen_Bond_Acceptor_Count	13
16155603	Rotatable_Bond_Count	65
6971007	Hydrogen_Bond_Acceptor_Count	6
25142699	Rotatable_Bond_Count	3
84647730	Mono_Isotopic_Weight	116.083729621
5830	Rotatable_Bond_Count	3
85689	Total_Formal_Charge	0
15715874	Hydrogen_Bond_Donor_Count	1
402869	Total_Formal_Charge	0
71172	Hydrogen_Bond_Acceptor_Count	4
60196361	TPSA	16.1
14577080	Molecular_Weight	285.8
2132	Structure_Complexity	259
54307121	Defined_Atom_Stereo_Count	0
69488	Structure_Complexity	25.5
49928	Covalent_Unit_Count	1
55416	XLogP3-AA	3.2
5284650	Mono_Isotopic_Weight	196.088815002
121763185	Undefined_Atom_Stereo_Count	3
3195	Molecular_Weight	294.4
829795	XLogP3-AA	0.4
3033521	Hydrogen_Bond_Donor_Count	5
10461263	Defined_Atom_Stereo_Count	0
3711	Hydrogen_Bond_Acceptor_Count	5
39609	Non-hydrogen_Atom_Count	28
140898864	Non-hydrogen_Atom_Count	8
70991	Defined_Atom_Stereo_Count	0
66587032	Rotatable_Bond_Count	4
4260	Hydrogen_Bond_Acceptor_Count	4
69109362	Exact_Mass	101.047678466
89036	TPSA	66.4
151114	Non-hydrogen_Atom_Count	39
83635304	Undefined_Bond_Stereo_Count	0
18999022	Undefined_Atom_Stereo_Count	2
10217	Defined_Atom_Stereo_Count	0
7713	Total_Formal_Charge	0
24635	Molecular_Weight	366.22
6419898	Molecular_Weight	843.1
68321947	Undefined_Atom_Stereo_Count	1
5311429	Mono_Isotopic_Weight	173.10519334
59173	Defined_Bond_Stereo_Count	0
5353	Structure_Complexity	368
141300213	Covalent_Unit_Count	1
8970	Exact_Mass	334.21440943
10102486	Total_Formal_Charge	2
269842	Exact_Mass	281.11240398
13166770	Non-hydrogen_Atom_Count	8
88489334	Non-hydrogen_Atom_Count	8
16760627	Molecular_Weight	570.6
24266	Non-hydrogen_Atom_Count	7
76974809	Total_Formal_Charge	0
72187569	TPSA	95.5
121410806	Structure_Complexity	746
31265	Defined_Bond_Stereo_Count	0
16627	TPSA	26.3
3125	Molecular_Weight	195.21
24865620	XLogP3-AA	5.9
10146470	TPSA	115
9250	Hydrogen_Bond_Acceptor_Count	0
27713	Molecular_Weight	271.74
16219102	Isotope_Atom_Count	0
59603622	Isotope_Atom_Count	0
5818	Undefined_Atom_Stereo_Count	0
28864	Tautomer_Count	4
6440183	Molecular_Weight	175.18
158798	Mono_Isotopic_Weight	363.13479319
58599	Non-hydrogen_Atom_Count	22
17377	Defined_Atom_Stereo_Count	0
54023535	Undefined_Bond_Stereo_Count	0
163285375	Hydrogen_Bond_Acceptor_Count	13
23666110	Structure_Complexity	408
56928166	Undefined_Atom_Stereo_Count	2
11995188	Total_Formal_Charge	0
144381	Isotope_Atom_Count	0
13460453	Hydrogen_Bond_Donor_Count	1
1549097	Undefined_Bond_Stereo_Count	0
13012252	Undefined_Bond_Stereo_Count	0
6375	Hydrogen_Bond_Donor_Count	0
85906	Undefined_Bond_Stereo_Count	0
252372	Defined_Bond_Stereo_Count	0
19803703	Covalent_Unit_Count	1
13078198	Molecular_Weight	111.14
59903796	Total_Formal_Charge	0
3239844	Undefined_Atom_Stereo_Count	0
9794712	Rotatable_Bond_Count	6
5283338	Defined_Bond_Stereo_Count	1
10685477	Structure_Complexity	383
3652	Mono_Isotopic_Weight	335.1764402
91087911	Isotope_Atom_Count	0
4914498	TPSA	20.2
521381	XLogP3	1.1
57545	Total_Formal_Charge	0
594781	Isotope_Atom_Count	0
163460608	Structure_Complexity	72.9
12304612	Exact_Mass	152.120115130
12182	Covalent_Unit_Count	1
8336	XLogP3-AA	0
24848419	Molecular_Weight	420.5
34553	XLogP3-AA	5.2
11930	XLogP3-AA	6.8
5319879	Rotatable_Bond_Count	19
53678703	Molecular_Weight	112.13
5748361	Molecular_Weight	366.4
5486971	Defined_Bond_Stereo_Count	0
13285535	Mono_Isotopic_Weight	226.074227566
71584421	Molecular_Weight	426.5
29878	Mono_Isotopic_Weight	183.03539970
101561	Covalent_Unit_Count	1
21700	Exact_Mass	520.2227812
6278	Isotope_Atom_Count	0
104729	Hydrogen_Bond_Acceptor_Count	0
4477	Total_Formal_Charge	0
535545	Defined_Atom_Stereo_Count	0
13791	XLogP3	6
21158559	Hydrogen_Bond_Donor_Count	2
67247924	Isotope_Atom_Count	0
44241626	Structure_Complexity	921
6604796	Rotatable_Bond_Count	2
135	Rotatable_Bond_Count	1
728	Mono_Isotopic_Weight	251.883389
472202	Rotatable_Bond_Count	2
54687772	Rotatable_Bond_Count	8
8275	TPSA	75.3
69908	TPSA	17.1
54006622	Defined_Atom_Stereo_Count	0
6918249	Rotatable_Bond_Count	1
574613	Molecular_Weight	113.09
2564	Structure_Complexity	267
21872090	Total_Formal_Charge	0
53704432	Structure_Complexity	72.9
289847	Structure_Complexity	150
13400657	Non-hydrogen_Atom_Count	7
4468	Total_Formal_Charge	0
22141508	Rotatable_Bond_Count	2
17963226	Mono_Isotopic_Weight	505.1802054
8419	Hydrogen_Bond_Acceptor_Count	3
4143	Structure_Complexity	552
10068207	Defined_Atom_Stereo_Count	0
44383	Structure_Complexity	544
198253	Molecular_Weight	133.17
40308	Defined_Bond_Stereo_Count	0
446156	Isotope_Atom_Count	0
71360	Isotope_Atom_Count	0
13136	Non-hydrogen_Atom_Count	29
133741	Isotope_Atom_Count	0
18467	Covalent_Unit_Count	1
6282	Covalent_Unit_Count	3
66330	Covalent_Unit_Count	1
447980	TPSA	57.7
6279	Mono_Isotopic_Weight	386.24570956
5284580	Exact_Mass	968.49808019
5497143	Defined_Atom_Stereo_Count	5
2815	Non-hydrogen_Atom_Count	20
58436	Tautomer_Count	2
52936034	Defined_Bond_Stereo_Count	0
211468	Hydrogen_Bond_Donor_Count	0
12832575	Undefined_Atom_Stereo_Count	2
476778	Defined_Atom_Stereo_Count	3
8970	Total_Formal_Charge	0
1205040	Defined_Atom_Stereo_Count	0
667550	Hydrogen_Bond_Donor_Count	1
9802545	Covalent_Unit_Count	1
3943	Covalent_Unit_Count	1
6432437	XLogP3-AA	1.2
43986	Hydrogen_Bond_Donor_Count	0
853	Covalent_Unit_Count	1
62235132	Rotatable_Bond_Count	2
75825	Isotope_Atom_Count	0
5288725	TPSA	49.3
3770186	Molecular_Weight	819.9
7084	Structure_Complexity	512
16741878	Exact_Mass	603.32839138
74267	Non-hydrogen_Atom_Count	28
17043	Rotatable_Bond_Count	12
5458589	Non-hydrogen_Atom_Count	30
38140	Total_Formal_Charge	0
261491	Isotope_Atom_Count	0
65564	Total_Formal_Charge	0
72207351	Non-hydrogen_Atom_Count	7
10002900	Rotatable_Bond_Count	6
7570	Hydrogen_Bond_Acceptor_Count	4
89829	Non-hydrogen_Atom_Count	11
81530	Non-hydrogen_Atom_Count	9
71463896	Defined_Bond_Stereo_Count	0
4368	Total_Formal_Charge	0
3000926	Undefined_Bond_Stereo_Count	0
5392139	Non-hydrogen_Atom_Count	15
3032572	Total_Formal_Charge	0
16059	Defined_Bond_Stereo_Count	0
9840517	Hydrogen_Bond_Donor_Count	4
19774759	Exact_Mass	114.079312947
13788048	Exact_Mass	390.0111167
4934	TPSA	35.5
15359	Hydrogen_Bond_Acceptor_Count	6
21900379	Structure_Complexity	61.5
53432920	Undefined_Atom_Stereo_Count	0
4047281	Defined_Atom_Stereo_Count	0
24776149	Defined_Bond_Stereo_Count	0
232789	Exact_Mass	195.936181
589863	Rotatable_Bond_Count	0
22120552	Defined_Atom_Stereo_Count	0
5359563	Rotatable_Bond_Count	3
11568	Structure_Complexity	74.9
7452	Defined_Bond_Stereo_Count	0
72388	Total_Formal_Charge	0
439711	Hydrogen_Bond_Donor_Count	1
48289	Non-hydrogen_Atom_Count	20
48000	Rotatable_Bond_Count	16
9834129	Non-hydrogen_Atom_Count	12
10197646	Defined_Atom_Stereo_Count	0
6453994	TPSA	29.1
10256440	Structure_Complexity	951
14206225	Mono_Isotopic_Weight	100.052429494
637921	Defined_Bond_Stereo_Count	1
12190	Molecular_Weight	120.15
5246258	Molecular_Weight	108.16
5288494	Isotope_Atom_Count	0
45749	Exact_Mass	1333.67002241
247	Non-hydrogen_Atom_Count	8
60652	Defined_Atom_Stereo_Count	0
4823	Undefined_Bond_Stereo_Count	0
2683	Undefined_Atom_Stereo_Count	0
7587	Defined_Bond_Stereo_Count	0
8363	Undefined_Atom_Stereo_Count	0
20136721	Hydrogen_Bond_Donor_Count	0
626732	Mono_Isotopic_Weight	330.21949481
14545018	Undefined_Atom_Stereo_Count	0
21041051	Non-hydrogen_Atom_Count	7
72076	Defined_Atom_Stereo_Count	0
70425	TPSA	44.8
80900	Undefined_Atom_Stereo_Count	0
76365	Exact_Mass	126.068079557
76796454	Isotope_Atom_Count	0
3225	Defined_Atom_Stereo_Count	0
91369480	Undefined_Atom_Stereo_Count	3
71782	Total_Formal_Charge	0
136246379	Hydrogen_Bond_Donor_Count	3
12096001	Structure_Complexity	688
107526	Total_Formal_Charge	0
72568	Rotatable_Bond_Count	9
6702	Mono_Isotopic_Weight	237.078978594
71158	Isotope_Atom_Count	0
54332589	Hydrogen_Bond_Acceptor_Count	1
115763542	Mono_Isotopic_Weight	99.032028402
69480	Hydrogen_Bond_Donor_Count	0
88789571	Defined_Bond_Stereo_Count	0
11520894	Structure_Complexity	1940
37114	Defined_Bond_Stereo_Count	0
12355883	Isotope_Atom_Count	0
57131946	Exact_Mass	180.115029749
78205	Covalent_Unit_Count	1
94811	Defined_Atom_Stereo_Count	0
62209	Undefined_Atom_Stereo_Count	0
3036443	Undefined_Atom_Stereo_Count	0
85786508	Molecular_Weight	112.17
11700183	Isotope_Atom_Count	0
10076625	XLogP3-AA	4.3
139062042	Defined_Atom_Stereo_Count	1
5256574	Mono_Isotopic_Weight	152.01903862
5281794	TPSA	46.5
154104	Exact_Mass	303.10414797
543123	Undefined_Atom_Stereo_Count	0
67108443	Undefined_Atom_Stereo_Count	0
19366304	Defined_Atom_Stereo_Count	0
890907	Hydrogen_Bond_Donor_Count	1
611967	Covalent_Unit_Count	1
7619	Covalent_Unit_Count	1
25132069	Rotatable_Bond_Count	5
2435	Rotatable_Bond_Count	2
5238474	Defined_Atom_Stereo_Count	0
3694035	Exact_Mass	107.048347172
148350	Undefined_Bond_Stereo_Count	0
11289	Hydrogen_Bond_Acceptor_Count	3
21192690	Hydrogen_Bond_Donor_Count	1
720674	Mono_Isotopic_Weight	210.115698455
3604	XLogP3-AA	1.8
5225092	Undefined_Bond_Stereo_Count	0
693946	Structure_Complexity	452
893980	TPSA	48.2
77912	Structure_Complexity	261
23665706	Undefined_Bond_Stereo_Count	0
51380890	Defined_Atom_Stereo_Count	0
41332	TPSA	106
52421	Rotatable_Bond_Count	9
119084740	Structure_Complexity	119
24838	Hydrogen_Bond_Donor_Count	0
12340	Undefined_Atom_Stereo_Count	0
92831	Undefined_Bond_Stereo_Count	0
135413523	Mono_Isotopic_Weight	666.23192722
186148	TPSA	9.2
57349791	Total_Formal_Charge	0
135458645	XLogP3-AA	4.7
5065	Hydrogen_Bond_Acceptor_Count	11
68312	Total_Formal_Charge	0
2216	Structure_Complexity	247
127894	Total_Formal_Charge	0
78521	Undefined_Bond_Stereo_Count	0
91037	Hydrogen_Bond_Acceptor_Count	7
9568512	Mono_Isotopic_Weight	236.07318219
3781	Covalent_Unit_Count	1
12358970	Hydrogen_Bond_Acceptor_Count	8
142290	Total_Formal_Charge	0
243313	Isotope_Atom_Count	0
22234	Undefined_Atom_Stereo_Count	1
4345	XLogP3-AA	5.6
129864651	Total_Formal_Charge	0
54359	Mono_Isotopic_Weight	370.204513457
71517700	Isotope_Atom_Count	0
5092	Structure_Complexity	341
83864777	Non-hydrogen_Atom_Count	8
15624	Total_Formal_Charge	0
23087	Exact_Mass	153.078978594
786624	Mono_Isotopic_Weight	330.993362
13506	Exact_Mass	603.92689092
37425	Structure_Complexity	161
10921634	XLogP3	4.6
20563296	Structure_Complexity	162
58196257	Isotope_Atom_Count	0
21026	Isotope_Atom_Count	0
24901285	Molecular_Weight	546.5
19254	Molecular_Weight	262.30
9270	Non-hydrogen_Atom_Count	28
9514	Covalent_Unit_Count	1
5464317	Structure_Complexity	960
15620	Structure_Complexity	27.4
57144446	Rotatable_Bond_Count	0
16089914	Mono_Isotopic_Weight	435.10452
65510	Molecular_Weight	262.65
76344	Total_Formal_Charge	0
81325	Non-hydrogen_Atom_Count	12
11094587	Covalent_Unit_Count	1
135626366	Undefined_Atom_Stereo_Count	0
9188	Defined_Bond_Stereo_Count	0
439661	Molecular_Weight	172.23
656902	Hydrogen_Bond_Donor_Count	4
544591	Rotatable_Bond_Count	3
18068	Defined_Bond_Stereo_Count	0
61071	XLogP3-AA	3.4
129674754	Defined_Bond_Stereo_Count	0
793	Isotope_Atom_Count	0
4184	Isotope_Atom_Count	0
21702818	Molecular_Weight	109.13
21989049	Isotope_Atom_Count	0
46224603	Undefined_Bond_Stereo_Count	0
79243	Total_Formal_Charge	0
56949747	Covalent_Unit_Count	1
21490213	Covalent_Unit_Count	1
10953798	Structure_Complexity	0
12512794	Non-hydrogen_Atom_Count	7
139585852	Rotatable_Bond_Count	0
19165	XLogP3	3.7
8777	Undefined_Atom_Stereo_Count	0
141011968	Mono_Isotopic_Weight	107.02319505
2734389	Hydrogen_Bond_Donor_Count	2
859	Isotope_Atom_Count	0
63400	Non-hydrogen_Atom_Count	24
45051637	Molecular_Weight	278.5
87203	Covalent_Unit_Count	1
30627	Rotatable_Bond_Count	10
131315862	Total_Formal_Charge	0
33919	Isotope_Atom_Count	0
82047	Isotope_Atom_Count	0
96821	Molecular_Weight	176.17
704314	Exact_Mass	302.01836991
59107469	Molecular_Weight	113.20
44483332	Molecular_Weight	688.8
1317	Rotatable_Bond_Count	9
232446	XLogP3-AA	5.4
15158	Mono_Isotopic_Weight	161.9404218
208922	XLogP3-AA	4
53846435	Defined_Bond_Stereo_Count	0
55342	Defined_Bond_Stereo_Count	0
10332398	Defined_Atom_Stereo_Count	0
91435	Undefined_Bond_Stereo_Count	0
16129911	Defined_Bond_Stereo_Count	1
28417	TPSA	46.3
62413	Covalent_Unit_Count	2
71648	Hydrogen_Bond_Acceptor_Count	3
535857	TPSA	46
5460998	Undefined_Atom_Stereo_Count	0
169682	TPSA	94.6
5326971	Rotatable_Bond_Count	7
9808828	Hydrogen_Bond_Acceptor_Count	5
23434975	Covalent_Unit_Count	1
8942	Molecular_Weight	240.30
23468439	Hydrogen_Bond_Donor_Count	0
56841934	Total_Formal_Charge	0
32247	XLogP3-AA	4.4
3724	Molecular_Weight	1550.2
4279	Undefined_Bond_Stereo_Count	0
15909	Hydrogen_Bond_Donor_Count	0
3047855	TPSA	295
111332	Defined_Bond_Stereo_Count	0
44558863	Isotope_Atom_Count	0
123257569	Structure_Complexity	117
53320156	Undefined_Bond_Stereo_Count	0
135565589	Defined_Atom_Stereo_Count	4
13373005	Tautomer_Count	1
572717	Total_Formal_Charge	0
17215	Isotope_Atom_Count	0
10343454	Mono_Isotopic_Weight	444.0910560
136224833	Rotatable_Bond_Count	3
129645691	Hydrogen_Bond_Acceptor_Count	15
6436658	Undefined_Bond_Stereo_Count	0
91272	Covalent_Unit_Count	1
31295	Total_Formal_Charge	0
91463	Tautomer_Count	1
91505	Tautomer_Count	1
67058	Defined_Atom_Stereo_Count	0
242515	Tautomer_Count	1
12295187	Covalent_Unit_Count	1
4468	Exact_Mass	1268.0156085
2795222	Total_Formal_Charge	0
141543352	Hydrogen_Bond_Acceptor_Count	1
135565596	Covalent_Unit_Count	1
87237616	Defined_Atom_Stereo_Count	0
71398	Non-hydrogen_Atom_Count	22
628370	Undefined_Atom_Stereo_Count	0
61633	Exact_Mass	126.068079557
5497163	Defined_Atom_Stereo_Count	0
53894233	Hydrogen_Bond_Donor_Count	0
69401251	Total_Formal_Charge	0
69488652	Hydrogen_Bond_Donor_Count	0
100094	Total_Formal_Charge	0
135409474	Structure_Complexity	578
72941969	Defined_Atom_Stereo_Count	39
11089	Total_Formal_Charge	0
24087	Hydrogen_Bond_Acceptor_Count	2
2818985	Non-hydrogen_Atom_Count	26
41092	Defined_Atom_Stereo_Count	0
8658	TPSA	26.3
154734215	Undefined_Bond_Stereo_Count	0
178145	Non-hydrogen_Atom_Count	26
403275	Undefined_Bond_Stereo_Count	0
12277679	Defined_Bond_Stereo_Count	0
55281352	Non-hydrogen_Atom_Count	6
67615000	Undefined_Atom_Stereo_Count	1
11499245	Exact_Mass	152.0444878
5536	Hydrogen_Bond_Acceptor_Count	6
44144517	Undefined_Bond_Stereo_Count	0
24868263	Mono_Isotopic_Weight	351.21714909
12838	XLogP3-AA	0.8
56208	Molecular_Weight	385.4
6931238	TPSA	52
9574768	XLogP3-AA	1.9
4437318	Undefined_Atom_Stereo_Count	0
10407120	Mono_Isotopic_Weight	375.15829154
18175195	Undefined_Atom_Stereo_Count	0
159812	TPSA	227
44145008	Molecular_Weight	146.23
5367460	Undefined_Bond_Stereo_Count	0
14976739	Hydrogen_Bond_Donor_Count	1
11936	Molecular_Weight	192.25
66954934	Hydrogen_Bond_Acceptor_Count	1
5125	Exact_Mass	314.09616600
71755913	Hydrogen_Bond_Acceptor_Count	3
396765	Undefined_Bond_Stereo_Count	4
68712	Exact_Mass	180.126263138
13244862	Defined_Atom_Stereo_Count	0
6450531	TPSA	179
21937642	Covalent_Unit_Count	1
196672	Isotope_Atom_Count	0
5354626	Molecular_Weight	350.5
44422	Defined_Atom_Stereo_Count	0
2729005	Defined_Atom_Stereo_Count	1
129803162	Defined_Atom_Stereo_Count	0
60196275	Hydrogen_Bond_Donor_Count	1
7559	Non-hydrogen_Atom_Count	11
12040509	Undefined_Atom_Stereo_Count	0
101080369	Defined_Bond_Stereo_Count	0
9870843	Molecular_Weight	506.6
12332146	Defined_Atom_Stereo_Count	0
5280891	XLogP3-AA	2.6
130324566	Defined_Bond_Stereo_Count	0
53346491	Total_Formal_Charge	0
168623	Total_Formal_Charge	0
16683091	Exact_Mass	767.69088
17787271	Undefined_Bond_Stereo_Count	0
5280448	Structure_Complexity	432
265375	Isotope_Atom_Count	0
14885960	Hydrogen_Bond_Acceptor_Count	6
6392641	Mono_Isotopic_Weight	824.368622
87823	Isotope_Atom_Count	0
5281521	Total_Formal_Charge	0
21613900	Molecular_Weight	111.10
2762785	Defined_Atom_Stereo_Count	0
11126210	Total_Formal_Charge	0
44401302	Defined_Bond_Stereo_Count	0
104755	Undefined_Bond_Stereo_Count	0
6259976	Mono_Isotopic_Weight	174.068079557
57370827	Isotope_Atom_Count	0
85742	Non-hydrogen_Atom_Count	32
6748	Rotatable_Bond_Count	0
67108485	Defined_Bond_Stereo_Count	0
75789	Non-hydrogen_Atom_Count	11
156963344	Covalent_Unit_Count	1
1130	Undefined_Atom_Stereo_Count	0
134731361	Hydrogen_Bond_Acceptor_Count	16
451189	Defined_Atom_Stereo_Count	0
207292	Hydrogen_Bond_Acceptor_Count	1
25590	Hydrogen_Bond_Donor_Count	3
60063	Exact_Mass	365.0942473
533866	Isotope_Atom_Count	0
12642447	Total_Formal_Charge	0
8142	Mono_Isotopic_Weight	148.1018782
68075820	Non-hydrogen_Atom_Count	8
1639804	Isotope_Atom_Count	0
5370052	Total_Formal_Charge	0
93291	Defined_Bond_Stereo_Count	0
129689385	Exact_Mass	156.0481910
62465	Mono_Isotopic_Weight	152.083729621
92703	Isotope_Atom_Count	0
21895916	Defined_Atom_Stereo_Count	0
15721166	Non-hydrogen_Atom_Count	8
33478	Mono_Isotopic_Weight	463.17770683
65407	Hydrogen_Bond_Donor_Count	3
118360420	Total_Formal_Charge	0
10039774	XLogP3	3
4816	Undefined_Atom_Stereo_Count	8
138663	Total_Formal_Charge	0
135565082	Isotope_Atom_Count	0
5447	Undefined_Atom_Stereo_Count	0
21026	Undefined_Bond_Stereo_Count	0
148475193	Exact_Mass	101.084063974
129720561	Structure_Complexity	102
57398150	Non-hydrogen_Atom_Count	26
49384	Undefined_Bond_Stereo_Count	0
2795115	Total_Formal_Charge	0
12562198	Defined_Bond_Stereo_Count	0
2893	Defined_Atom_Stereo_Count	0
88800	Total_Formal_Charge	0
71463896	Total_Formal_Charge	0
5732	Rotatable_Bond_Count	3
157955	Defined_Bond_Stereo_Count	0
20055560	Undefined_Bond_Stereo_Count	0
26533	Isotope_Atom_Count	0
94154	TPSA	101
9576814	Exact_Mass	228.183778013
6918496	Hydrogen_Bond_Acceptor_Count	3
11815824	Exact_Mass	98.073164938
131704481	Molecular_Weight	602.6
5284468	Mono_Isotopic_Weight	247.963896
25171662	XLogP3-AA	2.1
54686183	Undefined_Atom_Stereo_Count	0
59009	Total_Formal_Charge	0
3081386	Mono_Isotopic_Weight	679.08627911
123935295	Structure_Complexity	98.5
5311504	Undefined_Atom_Stereo_Count	0
14184222	TPSA	32.8
117899707	Exact_Mass	116.083729621
636345	Exact_Mass	880.1479789
139150	XLogP3-AA	1.6
57077346	Isotope_Atom_Count	0
5556	Rotatable_Bond_Count	1
91822	Undefined_Bond_Stereo_Count	0
3180466	Total_Formal_Charge	0
627386	Covalent_Unit_Count	1
447378	Molecular_Weight	443.4
143339316	Mono_Isotopic_Weight	108.093900383
13795013	Hydrogen_Bond_Donor_Count	2
24867465	Non-hydrogen_Atom_Count	22
283654	Isotope_Atom_Count	0
1639804	XLogP3-AA	2.5
122384816	Rotatable_Bond_Count	24
4523333	Molecular_Weight	151.14
34502	Molecular_Weight	612.97
192925	Rotatable_Bond_Count	1
4283	Defined_Atom_Stereo_Count	0
4369502	XLogP3-AA	3.1
12176	Hydrogen_Bond_Donor_Count	1
86830	Molecular_Weight	523.5
162955683	Undefined_Bond_Stereo_Count	0
57037620	XLogP3-AA	0.6
14445624	Undefined_Bond_Stereo_Count	0
3083868	Tautomer_Count	1
3154	Covalent_Unit_Count	1
101946434	Non-hydrogen_Atom_Count	1
23646072	Mono_Isotopic_Weight	515.22810243
135452521	Structure_Complexity	1720
139079243	Rotatable_Bond_Count	2
23274077	Undefined_Bond_Stereo_Count	0
3084049	Structure_Complexity	1300
79865794	Mono_Isotopic_Weight	112.088815002
83996	Total_Formal_Charge	0
5094384	Rotatable_Bond_Count	0
84148	XLogP3-AA	0.8
4195	TPSA	93.8
88051007	Covalent_Unit_Count	1
81457	Tautomer_Count	8
21893333	Isotope_Atom_Count	0
3018598	Hydrogen_Bond_Acceptor_Count	6
15461361	Covalent_Unit_Count	1
13466096	Mono_Isotopic_Weight	210.068079557
227430	Non-hydrogen_Atom_Count	18
24287	Exact_Mass	261.774663
23665763	Mono_Isotopic_Weight	103.95440935
56776542	Molecular_Weight	250.02
123228414	Isotope_Atom_Count	0
3081304	Exact_Mass	404.9865439
67317342	Hydrogen_Bond_Donor_Count	1
3434472	XLogP3	4.8
17842471	Isotope_Atom_Count	0
6165447	Total_Formal_Charge	0
55652	Rotatable_Bond_Count	4
134056	Rotatable_Bond_Count	7
10974	Tautomer_Count	1
42153	Defined_Atom_Stereo_Count	0
446157	Molecular_Weight	481.5
9823887	Rotatable_Bond_Count	7
11550004	Non-hydrogen_Atom_Count	7
60196366	Undefined_Bond_Stereo_Count	0
208838	Structure_Complexity	379
45120354	Molecular_Weight	114.14
445318	Non-hydrogen_Atom_Count	20
12774755	Hydrogen_Bond_Donor_Count	1
45255110	Structure_Complexity	652
7076	Defined_Bond_Stereo_Count	0
69333672	Mono_Isotopic_Weight	108.032362755
521701	Covalent_Unit_Count	5
10080320	Undefined_Bond_Stereo_Count	0
6443800	Rotatable_Bond_Count	9
11261	Rotatable_Bond_Count	2
16003	TPSA	45.6
129236	Molecular_Weight	285.75
70687384	Rotatable_Bond_Count	3
154992	Tautomer_Count	1
21930930	Total_Formal_Charge	0
517030	Isotope_Atom_Count	0
82412	Undefined_Atom_Stereo_Count	0
90397060	Mono_Isotopic_Weight	1201.84136802
13158	Structure_Complexity	118
11957669	Exact_Mass	255.1389920
33463	Structure_Complexity	761
86000267	Exact_Mass	208.219100893
5581	Covalent_Unit_Count	1
57514051	Undefined_Atom_Stereo_Count	0
71751934	Exact_Mass	327.202608250
76715077	Covalent_Unit_Count	1
71626	Tautomer_Count	1
19130	Undefined_Atom_Stereo_Count	0
59983745	TPSA	29.1
71312102	Covalent_Unit_Count	5
77058	Non-hydrogen_Atom_Count	7
16426	Total_Formal_Charge	0
12942137	Total_Formal_Charge	0
141427445	Hydrogen_Bond_Donor_Count	0
11860544	Undefined_Atom_Stereo_Count	0
3638	Hydrogen_Bond_Acceptor_Count	4
5357479	Hydrogen_Bond_Donor_Count	1
23704140	Structure_Complexity	880
97006	Tautomer_Count	2
9868452	Defined_Atom_Stereo_Count	2
154689	Hydrogen_Bond_Acceptor_Count	4
13549438	Undefined_Bond_Stereo_Count	0
28620	TPSA	282
12248932	Molecular_Weight	115.13
4678	Mono_Isotopic_Weight	205.13140809
12285862	Mono_Isotopic_Weight	180.06338810
71311162	Structure_Complexity	385
2736567	Non-hydrogen_Atom_Count	8
7098662	Undefined_Bond_Stereo_Count	0
21576696	Rotatable_Bond_Count	9
182422	Molecular_Weight	230.3
139243813	Molecular_Weight	80.10
736351	Isotope_Atom_Count	0
5288706	Hydrogen_Bond_Donor_Count	5
165879	Rotatable_Bond_Count	2
36978	Total_Formal_Charge	0
163317	Rotatable_Bond_Count	2
59122	Undefined_Atom_Stereo_Count	0
445461	Hydrogen_Bond_Donor_Count	9
12132667	Non-hydrogen_Atom_Count	7
5280493	Undefined_Atom_Stereo_Count	0
131709156	Undefined_Bond_Stereo_Count	0
235700	XLogP3-AA	1.6
10189783	Isotope_Atom_Count	0
129508	Total_Formal_Charge	0
61293	Undefined_Bond_Stereo_Count	0
1646	Defined_Bond_Stereo_Count	0
57031835	Hydrogen_Bond_Acceptor_Count	1
26715	Hydrogen_Bond_Acceptor_Count	3
13443454	Hydrogen_Bond_Acceptor_Count	1
10996972	Isotope_Atom_Count	0
129669570	TPSA	125
452977	Defined_Atom_Stereo_Count	5
129786694	Exact_Mass	99.032028402
128024	Non-hydrogen_Atom_Count	26
23369154	Total_Formal_Charge	0
9348	Undefined_Atom_Stereo_Count	0
45479834	Defined_Bond_Stereo_Count	0
4442	XLogP3-AA	2.2
12210218	Hydrogen_Bond_Acceptor_Count	2
71580	Mono_Isotopic_Weight	247.0975211
5889665	Hydrogen_Bond_Acceptor_Count	4
7292	Isotope_Atom_Count	0
398661	Hydrogen_Bond_Donor_Count	1
11973	Undefined_Bond_Stereo_Count	0
2336530	Total_Formal_Charge	0
33934	Total_Formal_Charge	0
34	Hydrogen_Bond_Donor_Count	1
123178849	Total_Formal_Charge	0
2618	TPSA	235
21027022	Undefined_Atom_Stereo_Count	0
142552	Defined_Bond_Stereo_Count	0
11552706	Defined_Bond_Stereo_Count	0
9925	Tautomer_Count	2
5494449	Covalent_Unit_Count	1
15084875	Defined_Bond_Stereo_Count	0
135459971	Exact_Mass	323.00179
484128	Total_Formal_Charge	0
135829641	Mono_Isotopic_Weight	96.068748264
72487	Defined_Bond_Stereo_Count	0
84715968	Non-hydrogen_Atom_Count	7
80654	Isotope_Atom_Count	0
520217	Hydrogen_Bond_Acceptor_Count	5
12015095	Hydrogen_Bond_Donor_Count	0
87898	TPSA	125
71458236	Hydrogen_Bond_Donor_Count	3
15293	Undefined_Bond_Stereo_Count	0
2797779	Non-hydrogen_Atom_Count	8
10305301	Hydrogen_Bond_Acceptor_Count	12
41793	Undefined_Bond_Stereo_Count	0
20387241	Defined_Atom_Stereo_Count	0
12208403	Hydrogen_Bond_Acceptor_Count	4
22013662	Covalent_Unit_Count	1
8079	Non-hydrogen_Atom_Count	6
44208919	Hydrogen_Bond_Acceptor_Count	5
14256301	Rotatable_Bond_Count	1
90592	Total_Formal_Charge	0
76196	Hydrogen_Bond_Donor_Count	2
24771782	XLogP3-AA	4.7
117064644	Covalent_Unit_Count	1
15789	Undefined_Bond_Stereo_Count	0
3222	TPSA	95.9
55299073	Molecular_Weight	113.11
11297617	Molecular_Weight	981.0
664081	Undefined_Bond_Stereo_Count	0
20483595	Isotope_Atom_Count	0
439888	TPSA	40.5
5297	TPSA	336
122672078	Molecular_Weight	112.17
5474229	Undefined_Atom_Stereo_Count	19
21466713	Total_Formal_Charge	0
55290587	XLogP3-AA	0.6
572852	Undefined_Atom_Stereo_Count	0
125286696	Covalent_Unit_Count	1
137895	Covalent_Unit_Count	1
8797	Undefined_Atom_Stereo_Count	0
136516	Covalent_Unit_Count	1
88859271	Rotatable_Bond_Count	3
10400	Undefined_Bond_Stereo_Count	0
61282	Undefined_Bond_Stereo_Count	0
15670683	Undefined_Atom_Stereo_Count	2
13900354	Hydrogen_Bond_Acceptor_Count	1
518760	Non-hydrogen_Atom_Count	7
117965	Hydrogen_Bond_Donor_Count	2
11326	Covalent_Unit_Count	1
17769	Tautomer_Count	1
22889103	Non-hydrogen_Atom_Count	7
11961423	Structure_Complexity	76.8
698851	Defined_Bond_Stereo_Count	0
24196	Covalent_Unit_Count	1
10051341	Molecular_Weight	492.6
56738	Covalent_Unit_Count	1
21407	TPSA	29.1
2795878	Structure_Complexity	94.4
49852363	Structure_Complexity	260
5287468	Exact_Mass	526.18860586
19367743	Hydrogen_Bond_Donor_Count	1
522065	Undefined_Atom_Stereo_Count	2
7705	Hydrogen_Bond_Acceptor_Count	0
40467346	Structure_Complexity	830
6490	XLogP3-AA	3.1
12271346	Rotatable_Bond_Count	1
53077	Defined_Atom_Stereo_Count	2
3783514	Hydrogen_Bond_Acceptor_Count	3
86677009	Total_Formal_Charge	0
91747	XLogP3	3.9
2817	Structure_Complexity	165
87468080	Hydrogen_Bond_Donor_Count	0
91566861	Hydrogen_Bond_Acceptor_Count	0
14454	Exact_Mass	102.104465066
11689	Mono_Isotopic_Weight	487.88950
3955344	Structure_Complexity	599
102175	Defined_Bond_Stereo_Count	0
5885030	Non-hydrogen_Atom_Count	26
138358	Hydrogen_Bond_Acceptor_Count	0
27182	TPSA	21.3
140751	Hydrogen_Bond_Acceptor_Count	1
60749	Rotatable_Bond_Count	2
291730	Covalent_Unit_Count	1
58557659	Undefined_Bond_Stereo_Count	0
54583840	Total_Formal_Charge	0
163751	Defined_Bond_Stereo_Count	0
20784398	TPSA	9.2
11147674	Defined_Atom_Stereo_Count	0
1417	Hydrogen_Bond_Donor_Count	0
44719499	Exact_Mass	199.10085685
10073773	Rotatable_Bond_Count	5
11544170	XLogP3-AA	4.1
3269	Structure_Complexity	411
131751341	Defined_Bond_Stereo_Count	1
3033332	Defined_Atom_Stereo_Count	0
60988	Mono_Isotopic_Weight	252.97147929
134150175	Defined_Bond_Stereo_Count	0
163090688	Undefined_Atom_Stereo_Count	7
63093	Tautomer_Count	1
118193	Structure_Complexity	72.6
21702770	Undefined_Bond_Stereo_Count	0
2763078	Hydrogen_Bond_Donor_Count	1
3926	Mono_Isotopic_Weight	491.27481907
158691271	Exact_Mass	110.059246208
21321822	Defined_Atom_Stereo_Count	0
260859	Non-hydrogen_Atom_Count	25
24453	Isotope_Atom_Count	0
15530	Tautomer_Count	1
23649154	Covalent_Unit_Count	1
5351811	TPSA	65
9881504	Molecular_Weight	254.28
37524	Hydrogen_Bond_Donor_Count	2
59018485	Hydrogen_Bond_Donor_Count	0
6710769	Non-hydrogen_Atom_Count	29
19802062	Defined_Bond_Stereo_Count	0
1549521	Defined_Bond_Stereo_Count	1
819269	Undefined_Bond_Stereo_Count	0
10306	Isotope_Atom_Count	0
6172	Structure_Complexity	489
12452021	Mono_Isotopic_Weight	113.084063974
232838	TPSA	60.8
21672	Hydrogen_Bond_Acceptor_Count	2
11677589	Non-hydrogen_Atom_Count	35
9555	Non-hydrogen_Atom_Count	31
524629	Undefined_Atom_Stereo_Count	2
94784	Defined_Atom_Stereo_Count	0
1473879	Rotatable_Bond_Count	3
9844747	Structure_Complexity	553
325	Hydrogen_Bond_Donor_Count	1
66245	Structure_Complexity	330
21596552	Covalent_Unit_Count	1
76720	TPSA	87.7
45120722	Defined_Bond_Stereo_Count	0
27596	Defined_Bond_Stereo_Count	0
69588	Undefined_Bond_Stereo_Count	0
72200037	Rotatable_Bond_Count	9
12231415	Rotatable_Bond_Count	1
9957535	Isotope_Atom_Count	0
5460853	Undefined_Atom_Stereo_Count	0
121494123	Molecular_Weight	7165
11957515	Structure_Complexity	380
24393	Defined_Bond_Stereo_Count	0
6539003	Structure_Complexity	453
4146595	Defined_Atom_Stereo_Count	0
103940	Exact_Mass	154.135765193
519103	Hydrogen_Bond_Donor_Count	2
85252	Molecular_Weight	160.29
32429	Undefined_Atom_Stereo_Count	0
803	Isotope_Atom_Count	0
76579279	Undefined_Bond_Stereo_Count	0
9847241	Covalent_Unit_Count	2
147078	Defined_Atom_Stereo_Count	3
262	Undefined_Atom_Stereo_Count	2
45039680	Total_Formal_Charge	0
123190012	Exact_Mass	94.078250319
87291665	Isotope_Atom_Count	0
87215	Molecular_Weight	400.5
130150414	Molecular_Weight	118.09
72679314	TPSA	94.9
638132	Covalent_Unit_Count	1
24458	Mono_Isotopic_Weight	125.872641
11712649	Molecular_Weight	476.9
9800972	Isotope_Atom_Count	0
23274077	Defined_Atom_Stereo_Count	0
12518095	Defined_Atom_Stereo_Count	0
6211	Defined_Bond_Stereo_Count	0
22505735	Total_Formal_Charge	0
192925	Hydrogen_Bond_Acceptor_Count	1
14330987	Non-hydrogen_Atom_Count	9
5516	Defined_Atom_Stereo_Count	0
57725	Mono_Isotopic_Weight	286.099379685
90891909	Rotatable_Bond_Count	2
636523	Total_Formal_Charge	0
13199930	Structure_Complexity	181
5311426	Defined_Atom_Stereo_Count	0
22053264	Isotope_Atom_Count	0
25314	Covalent_Unit_Count	2
57357187	Hydrogen_Bond_Donor_Count	1
12562198	Total_Formal_Charge	0
67510	Mono_Isotopic_Weight	82.078250319
21464101	Defined_Bond_Stereo_Count	0
5319754	Exact_Mass	98.073164938
3084101	Rotatable_Bond_Count	0
44719547	TPSA	53.7
481	Covalent_Unit_Count	1
5281099	Undefined_Bond_Stereo_Count	0
94297	Defined_Bond_Stereo_Count	0
5318385	Defined_Atom_Stereo_Count	2
23427989	Structure_Complexity	1870
13229	Structure_Complexity	116
5486705	Hydrogen_Bond_Acceptor_Count	13
8821	Molecular_Weight	100.12
18616819	XLogP3-AA	1
15535737	Non-hydrogen_Atom_Count	8
67893	Structure_Complexity	75
69938	Tautomer_Count	1
24233	Structure_Complexity	30.5
40652	Exact_Mass	351.20457303
17506	Undefined_Atom_Stereo_Count	0
10664	Undefined_Atom_Stereo_Count	0
16949	Undefined_Atom_Stereo_Count	6
20739	Mono_Isotopic_Weight	142.135765193
137938997	TPSA	21.8
1130	Isotope_Atom_Count	0
444746	Undefined_Bond_Stereo_Count	0
6695	Non-hydrogen_Atom_Count	33
63400	Defined_Atom_Stereo_Count	0
6624	Mono_Isotopic_Weight	266.0265204
11309477	Exact_Mass	98.073164938
6336	Tautomer_Count	1
12262506	Exact_Mass	195.125928785
4421864	Isotope_Atom_Count	0
8520	Defined_Atom_Stereo_Count	0
136891	Structure_Complexity	127
77	Structure_Complexity	198
65970	TPSA	138
46783224	Hydrogen_Bond_Donor_Count	3
88483174	Undefined_Atom_Stereo_Count	1
9191	XLogP3-AA	3.4
667450	Total_Formal_Charge	0
10439	Covalent_Unit_Count	1
71583604	Total_Formal_Charge	0
90431674	Defined_Bond_Stereo_Count	0
93335	Undefined_Atom_Stereo_Count	1
1396	Mono_Isotopic_Weight	444.97074
63632	TPSA	131
71007	Tautomer_Count	1
91942	Rotatable_Bond_Count	5
24833843	Rotatable_Bond_Count	15
57173187	Structure_Complexity	90.7
11510567	Structure_Complexity	701
20488507	Defined_Bond_Stereo_Count	0
156587369	Defined_Atom_Stereo_Count	31
251219	Undefined_Atom_Stereo_Count	1
44414678	Undefined_Bond_Stereo_Count	0
1549062	Undefined_Atom_Stereo_Count	0
23635314	Rotatable_Bond_Count	9
3015773	Non-hydrogen_Atom_Count	7
54069261	Undefined_Atom_Stereo_Count	1
9953590	Hydrogen_Bond_Donor_Count	0
9869142	Structure_Complexity	751
84883	Hydrogen_Bond_Donor_Count	0
2077	Total_Formal_Charge	0
662452	Exact_Mass	448.21442669
76609483	Hydrogen_Bond_Acceptor_Count	3
102068104	XLogP3-AA	1
18470	TPSA	0
524629	Exact_Mass	98.109550447
616632	Isotope_Atom_Count	0
9771	TPSA	38.7
53683774	Non-hydrogen_Atom_Count	8
105426927	Total_Formal_Charge	0
9966051	TPSA	40.6
23029	XLogP3	3.7
134693946	Defined_Atom_Stereo_Count	11
115205	Tautomer_Count	3
25127299	TPSA	67.9
21139920	Total_Formal_Charge	0
159889	Rotatable_Bond_Count	4
9960	Undefined_Bond_Stereo_Count	0
20058737	TPSA	41.1
91696	Tautomer_Count	2
37508	Hydrogen_Bond_Donor_Count	0
60976	Defined_Atom_Stereo_Count	0
42710	Non-hydrogen_Atom_Count	25
139202065	Exact_Mass	714.14991168
55286835	Exact_Mass	113.058911855
53639246	Total_Formal_Charge	0
7047	Non-hydrogen_Atom_Count	10
5284503	Covalent_Unit_Count	1
444006	Rotatable_Bond_Count	12
136729	Structure_Complexity	66.4
4004	Molecular_Weight	330.4
76118878	Hydrogen_Bond_Acceptor_Count	2
59350891	Exact_Mass	92.062600255
25150753	Molecular_Weight	356.4
121493082	Hydrogen_Bond_Donor_Count	47
22084396	Defined_Bond_Stereo_Count	0
12713	Non-hydrogen_Atom_Count	14
91181590	Exact_Mass	303.14705815
5354626	Hydrogen_Bond_Acceptor_Count	3
91810695	Exact_Mass	976.3034938
118388029	Hydrogen_Bond_Donor_Count	0
162955	Hydrogen_Bond_Acceptor_Count	5
443157	Tautomer_Count	2
75786	Rotatable_Bond_Count	4
18626413	Non-hydrogen_Atom_Count	8
68236666	Mono_Isotopic_Weight	100.100048391
22096	Defined_Atom_Stereo_Count	0
38972	Total_Formal_Charge	0
3085218	Structure_Complexity	345
71066	Rotatable_Bond_Count	6
193994	Undefined_Bond_Stereo_Count	0
12218833	Defined_Bond_Stereo_Count	0
87019	Molecular_Weight	198.26
67371	Exact_Mass	477.2030488
491728	Structure_Complexity	553
4996851	Mono_Isotopic_Weight	190.00866719
16807	Undefined_Bond_Stereo_Count	0
102361739	Total_Formal_Charge	0
344865	Hydrogen_Bond_Donor_Count	0
14497	Isotope_Atom_Count	0
65422334	Defined_Bond_Stereo_Count	0
613589	Isotope_Atom_Count	0
16135415	Mono_Isotopic_Weight	2637.0983357
83403	Molecular_Weight	200.23
74760	Total_Formal_Charge	0
85983	Hydrogen_Bond_Acceptor_Count	4
23557886	XLogP3-AA	0
15330921	Hydrogen_Bond_Donor_Count	1
17690	Hydrogen_Bond_Acceptor_Count	0
59771	Hydrogen_Bond_Acceptor_Count	4
176163	Undefined_Atom_Stereo_Count	1
85889	Tautomer_Count	1
12198109	Undefined_Bond_Stereo_Count	0
15020	Undefined_Atom_Stereo_Count	0
11729	Defined_Atom_Stereo_Count	0
54556623	Rotatable_Bond_Count	4
961335	Hydrogen_Bond_Acceptor_Count	3
53462066	Tautomer_Count	2
278600	Non-hydrogen_Atom_Count	7
571736	Hydrogen_Bond_Donor_Count	1
13134933	TPSA	222
65309	Defined_Bond_Stereo_Count	0
90777230	Total_Formal_Charge	0
55463	Structure_Complexity	585
5367460	Hydrogen_Bond_Acceptor_Count	2
447534	Hydrogen_Bond_Acceptor_Count	4
439224	Structure_Complexity	259
71311389	Defined_Bond_Stereo_Count	0
67431	Defined_Atom_Stereo_Count	0
70680234	Isotope_Atom_Count	0
10130220	Structure_Complexity	151
61017	Molecular_Weight	129.24
88063521	XLogP3-AA	0.6
154496863	Non-hydrogen_Atom_Count	23
6435110	Hydrogen_Bond_Donor_Count	6
20157043	Hydrogen_Bond_Acceptor_Count	2
53735	XLogP3-AA	1.8
10885	Undefined_Atom_Stereo_Count	0
3782034	Isotope_Atom_Count	0
101838	Defined_Atom_Stereo_Count	0
16122612	Hydrogen_Bond_Donor_Count	1
68195	Hydrogen_Bond_Donor_Count	2
70678557	Hydrogen_Bond_Donor_Count	78
544180	Exact_Mass	112.125200510
12271346	Hydrogen_Bond_Acceptor_Count	1
17898	Mono_Isotopic_Weight	124.063662883
54544033	Hydrogen_Bond_Acceptor_Count	9
39648	Defined_Atom_Stereo_Count	0
121893	Undefined_Bond_Stereo_Count	0
170944	Undefined_Atom_Stereo_Count	0
58528	Mono_Isotopic_Weight	256.121177757
23671430	Hydrogen_Bond_Acceptor_Count	3
18997160	Exact_Mass	115.063328530
49968	Defined_Atom_Stereo_Count	0
11017	Hydrogen_Bond_Acceptor_Count	7
542152	Tautomer_Count	1
57517	Isotope_Atom_Count	0
4228493	XLogP3-AA	1.8
6858	Hydrogen_Bond_Acceptor_Count	4
145458139	Exact_Mass	348.20088463
9831783	Defined_Atom_Stereo_Count	2
643785	Tautomer_Count	1
57760	Molecular_Weight	423.4
92763	Undefined_Atom_Stereo_Count	0
2804997	Undefined_Atom_Stereo_Count	0
698851	Total_Formal_Charge	0
118855423	Exact_Mass	479.08648575
67711	Covalent_Unit_Count	1
66913	Total_Formal_Charge	0
61013	Defined_Bond_Stereo_Count	0
11954236	Molecular_Weight	882.8
447030	Undefined_Bond_Stereo_Count	0
10864881	Structure_Complexity	80.6
123936	Undefined_Atom_Stereo_Count	0
23541	Undefined_Bond_Stereo_Count	0
44419235	Mono_Isotopic_Weight	341.11979803
11643926	Defined_Atom_Stereo_Count	0
67656913	Rotatable_Bond_Count	1
675242	Defined_Bond_Stereo_Count	0
71384614	Exact_Mass	182.05790880
11073376	Hydrogen_Bond_Donor_Count	2
9954083	Rotatable_Bond_Count	6
59295925	Undefined_Bond_Stereo_Count	0
4920	Defined_Atom_Stereo_Count	0
17805735	Defined_Atom_Stereo_Count	0
76783	Covalent_Unit_Count	1
65910	Molecular_Weight	558.5
72741573	Undefined_Bond_Stereo_Count	0
13778	XLogP3-AA	1.4
55286536	Mono_Isotopic_Weight	113.058911855
20760783	Undefined_Bond_Stereo_Count	0
71671	Structure_Complexity	255
5778	Total_Formal_Charge	0
99057	Hydrogen_Bond_Donor_Count	3
61249	Defined_Atom_Stereo_Count	0
95400	Total_Formal_Charge	0
12056759	Undefined_Bond_Stereo_Count	0
49858374	Defined_Atom_Stereo_Count	0
15347676	Exact_Mass	111.079647300
51039095	Structure_Complexity	622
119202	Structure_Complexity	725
3299	Defined_Atom_Stereo_Count	0
20841747	Structure_Complexity	64.9
56270	XLogP3	1.5
117295	Molecular_Weight	128.22
42615	Structure_Complexity	2450
141959525	TPSA	12
9949821	Isotope_Atom_Count	0
237953	Undefined_Atom_Stereo_Count	0
350445	Defined_Bond_Stereo_Count	0
440266	Mono_Isotopic_Weight	153.078978594
24866733	Undefined_Atom_Stereo_Count	0
7105	Tautomer_Count	1
5288149	Hydrogen_Bond_Donor_Count	3
4331	Rotatable_Bond_Count	13
9989023	Isotope_Atom_Count	0
614048	TPSA	92.3
57522038	Rotatable_Bond_Count	7
667490	Hydrogen_Bond_Donor_Count	2
60196391	Defined_Bond_Stereo_Count	0
12657448	Undefined_Bond_Stereo_Count	0
121444434	Molecular_Weight	109.17
21956312	Covalent_Unit_Count	1
10888051	Isotope_Atom_Count	0
260496	Exact_Mass	113.084063974
3819932	TPSA	51
10937607	Molecular_Weight	108.18
17905	Hydrogen_Bond_Acceptor_Count	1
8494	Covalent_Unit_Count	1
71731823	Defined_Bond_Stereo_Count	0
55900	Defined_Bond_Stereo_Count	0
13191055	Hydrogen_Bond_Acceptor_Count	2
22643	Mono_Isotopic_Weight	243.1026065
98468	Isotope_Atom_Count	0
6918003	TPSA	50.2
90471707	Defined_Bond_Stereo_Count	0
5318537	Undefined_Atom_Stereo_Count	0
6432105	Exact_Mass	326.199428076
19838382	Structure_Complexity	103
941915	Undefined_Atom_Stereo_Count	0
10486809	Total_Formal_Charge	0
12596780	Covalent_Unit_Count	1
134167153	Undefined_Bond_Stereo_Count	0
7048707	Hydrogen_Bond_Acceptor_Count	2
54516038	Exact_Mass	117.078978594
104820	Exact_Mass	165.026060
6918457	Undefined_Atom_Stereo_Count	0
23311753	Undefined_Atom_Stereo_Count	2
71323	Covalent_Unit_Count	1
517327	Defined_Bond_Stereo_Count	0
18944758	Defined_Bond_Stereo_Count	0
8917	Non-hydrogen_Atom_Count	11
2773	Non-hydrogen_Atom_Count	10
14151226	Defined_Bond_Stereo_Count	0
5281067	Total_Formal_Charge	0
10219398	Total_Formal_Charge	0
42754	Total_Formal_Charge	0
156212	Covalent_Unit_Count	1
82143	Structure_Complexity	316
397053	Mono_Isotopic_Weight	511.9605092
21737	XLogP3-AA	1.4
222528	Undefined_Atom_Stereo_Count	0
17517	Total_Formal_Charge	0
71583043	Hydrogen_Bond_Acceptor_Count	6
10285793	Tautomer_Count	1
16106	Defined_Bond_Stereo_Count	0
153085381	TPSA	9.2
12317612	Mono_Isotopic_Weight	112.052429494
70693538	TPSA	136
136394	Tautomer_Count	1
135421876	XLogP3-AA	0.2
284980	Mono_Isotopic_Weight	217.9901349
71490	Isotope_Atom_Count	0
13573327	Non-hydrogen_Atom_Count	8
15266968	Non-hydrogen_Atom_Count	8
11423566	Defined_Atom_Stereo_Count	0
10197657	Total_Formal_Charge	0
1742210	Mono_Isotopic_Weight	220.182715385
520381	Undefined_Atom_Stereo_Count	6
10892	Hydrogen_Bond_Acceptor_Count	2
20548464	Undefined_Atom_Stereo_Count	0
11093	Tautomer_Count	1
24729360	Defined_Atom_Stereo_Count	4
22164	Molecular_Weight	208.26
9570985	TPSA	297
70685868	Molecular_Weight	478.5
7824	Rotatable_Bond_Count	5
10614	Hydrogen_Bond_Donor_Count	0
24795070	Undefined_Atom_Stereo_Count	0
25023854	Hydrogen_Bond_Donor_Count	2
551491	Molecular_Weight	99.09
59899303	Defined_Atom_Stereo_Count	0
45375806	Defined_Bond_Stereo_Count	0
52950190	Defined_Bond_Stereo_Count	0
46205733	Mono_Isotopic_Weight	622.2324904
449101	Exact_Mass	149.06880783
443879	Exact_Mass	325.240564612
73200935	TPSA	0
444	Exact_Mass	239.1076919
54682938	Hydrogen_Bond_Donor_Count	6
121396	Hydrogen_Bond_Acceptor_Count	5
5310987	Defined_Bond_Stereo_Count	1
14841958	Total_Formal_Charge	0
6993205	Undefined_Atom_Stereo_Count	0
56828	Rotatable_Bond_Count	9
18509075	Undefined_Bond_Stereo_Count	0
21439	Non-hydrogen_Atom_Count	9
5324288	Undefined_Atom_Stereo_Count	0
21116680	Tautomer_Count	2
12323351	Total_Formal_Charge	0
14813	Non-hydrogen_Atom_Count	7
10807976	Rotatable_Bond_Count	5
118578546	XLogP3-AA	0.1
144369145	Mono_Isotopic_Weight	98.048012819
5365773	Defined_Atom_Stereo_Count	0
53763275	Total_Formal_Charge	0
123994818	Molecular_Weight	87.12
70696865	Non-hydrogen_Atom_Count	31
2526	Molecular_Weight	172.07
853863	Defined_Atom_Stereo_Count	0
57458936	Isotope_Atom_Count	0
129319344	Defined_Bond_Stereo_Count	0
998021	Hydrogen_Bond_Acceptor_Count	6
227244	Rotatable_Bond_Count	0
264082	Total_Formal_Charge	0
21541699	Covalent_Unit_Count	1
129848667	Non-hydrogen_Atom_Count	29
74066	Total_Formal_Charge	0
31307	Molecular_Weight	394.4
2724564	Total_Formal_Charge	0
22274936	Defined_Atom_Stereo_Count	0
9921468	Structure_Complexity	370
88064	Exact_Mass	131.058243149
67528035	Covalent_Unit_Count	1
12428018	Structure_Complexity	120
9963056	Covalent_Unit_Count	3
77781	Rotatable_Bond_Count	8
12757499	Hydrogen_Bond_Donor_Count	0
5367417	Molecular_Weight	80.13
165411817	Exact_Mass	774.27732385
88666	TPSA	35.2
9936012	Mono_Isotopic_Weight	506.2336207
1504097	Non-hydrogen_Atom_Count	8
50932059	Hydrogen_Bond_Acceptor_Count	9
21625894	Non-hydrogen_Atom_Count	59
20624744	Non-hydrogen_Atom_Count	7
136500	Mono_Isotopic_Weight	99.01427034
6918485	Covalent_Unit_Count	1
2762864	Total_Formal_Charge	0
19606581	Undefined_Bond_Stereo_Count	0
15783596	Isotope_Atom_Count	0
5280649	Rotatable_Bond_Count	3
110640	Isotope_Atom_Count	0
132999	Defined_Bond_Stereo_Count	0
91881846	Structure_Complexity	337
2845	Undefined_Atom_Stereo_Count	5
854150	XLogP3	3.1
85026	TPSA	3.9
51047	Isotope_Atom_Count	0
10341	Hydrogen_Bond_Acceptor_Count	2
107963	Isotope_Atom_Count	0
56955070	Hydrogen_Bond_Donor_Count	1
71572	Rotatable_Bond_Count	1
11667893	Mono_Isotopic_Weight	373.19026037
52553	Total_Formal_Charge	0
102444	Isotope_Atom_Count	0
101574147	Hydrogen_Bond_Acceptor_Count	7
62616	Undefined_Atom_Stereo_Count	0
24865620	Hydrogen_Bond_Acceptor_Count	5
3890	Mono_Isotopic_Weight	432.28757437
57734486	Hydrogen_Bond_Donor_Count	3
22990584	Undefined_Bond_Stereo_Count	0
954608	Total_Formal_Charge	0
5359367	Undefined_Atom_Stereo_Count	0
11575878	Covalent_Unit_Count	1
16219856	Covalent_Unit_Count	2
16533	Defined_Bond_Stereo_Count	0
10336591	Defined_Bond_Stereo_Count	0
204109	Mono_Isotopic_Weight	381.08349271
124003	Hydrogen_Bond_Acceptor_Count	12
9877	Mono_Isotopic_Weight	147.9902769
6436605	Molecular_Weight	326.2
47289	Hydrogen_Bond_Acceptor_Count	5
7450	Covalent_Unit_Count	1
5817	Defined_Bond_Stereo_Count	0
77843966	Defined_Atom_Stereo_Count	2
20056430	Defined_Atom_Stereo_Count	0
74141	Hydrogen_Bond_Acceptor_Count	3
9833407	Rotatable_Bond_Count	19
12745213	Non-hydrogen_Atom_Count	8
4969	Exact_Mass	331.14197277
53398649	Non-hydrogen_Atom_Count	26
3628	Hydrogen_Bond_Acceptor_Count	10
58854	Structure_Complexity	217
3041256	Defined_Atom_Stereo_Count	2
916	Non-hydrogen_Atom_Count	17
68938028	XLogP3-AA	4.2
57521	Exact_Mass	564.16787042
1481	Rotatable_Bond_Count	10
13978	Tautomer_Count	3
781	Total_Formal_Charge	0
6439420	Undefined_Atom_Stereo_Count	0
3058751	TPSA	35.2
53739	Rotatable_Bond_Count	3
21228	Undefined_Bond_Stereo_Count	0
17326	Undefined_Atom_Stereo_Count	0
71737801	Undefined_Bond_Stereo_Count	0
13930075	TPSA	29.1
2794575	Isotope_Atom_Count	0
1820	Hydrogen_Bond_Acceptor_Count	3
118008485	Mono_Isotopic_Weight	110.073164938
11909	Hydrogen_Bond_Donor_Count	0
56665390	Molecular_Weight	418.5
25190761	XLogP3-AA	3.6
30085	Undefined_Atom_Stereo_Count	0
44427236	Molecular_Weight	388.4
41384	Defined_Bond_Stereo_Count	0
34572	Undefined_Atom_Stereo_Count	0
11773	Non-hydrogen_Atom_Count	19
5326956	Molecular_Weight	537.5
3865578	TPSA	49.4
21578704	Undefined_Bond_Stereo_Count	0
1046	Total_Formal_Charge	0
188803	Hydrogen_Bond_Donor_Count	5
6919629	Mono_Isotopic_Weight	184.09736831
18785356	Isotope_Atom_Count	0
54808	Tautomer_Count	3
12769202	Molecular_Weight	113.11
13772685	Exact_Mass	259.96981
141030371	Hydrogen_Bond_Donor_Count	0
64988	Undefined_Atom_Stereo_Count	0
199402	Hydrogen_Bond_Donor_Count	18
23695324	Hydrogen_Bond_Acceptor_Count	7
11979704	Hydrogen_Bond_Donor_Count	0
60839	Structure_Complexity	406
122081	Defined_Bond_Stereo_Count	0
154013151	Mono_Isotopic_Weight	116.047344113
162349	Tautomer_Count	1
87338910	Hydrogen_Bond_Donor_Count	2
51464	Hydrogen_Bond_Donor_Count	0
520216	Isotope_Atom_Count	0
1091	Hydrogen_Bond_Donor_Count	2
797972	Undefined_Bond_Stereo_Count	0
145751	Undefined_Atom_Stereo_Count	1
12079	Defined_Atom_Stereo_Count	0
5242420	TPSA	56.1
157921	Exact_Mass	181.0505709
21323	Tautomer_Count	3
53895	Defined_Bond_Stereo_Count	0
208922	TPSA	6.5
14712340	Undefined_Bond_Stereo_Count	0
73357703	XLogP3-AA	0.3
20194949	Undefined_Bond_Stereo_Count	0
44392137	Structure_Complexity	820
229851	Hydrogen_Bond_Acceptor_Count	5
17904790	Undefined_Atom_Stereo_Count	0
830713	TPSA	63.8
71457280	Tautomer_Count	32
17040	Covalent_Unit_Count	1
33960	XLogP3-AA	3
13017912	TPSA	164
21282995	Total_Formal_Charge	0
177739	XLogP3	1.2
163285106	Covalent_Unit_Count	1
79029	Undefined_Bond_Stereo_Count	0
97012113	Undefined_Atom_Stereo_Count	0
69341269	Non-hydrogen_Atom_Count	8
8442	Undefined_Bond_Stereo_Count	0
8653	Exact_Mass	216.0341926
566455	Mono_Isotopic_Weight	189.078978594
6889	Exact_Mass	224.94254
16218740	Undefined_Bond_Stereo_Count	0
117736505	XLogP3-AA	1.6
688400	Undefined_Atom_Stereo_Count	0
28118	Total_Formal_Charge	0
11286483	Hydrogen_Bond_Acceptor_Count	2
79724	Undefined_Atom_Stereo_Count	0
12642	Isotope_Atom_Count	0
67258976	Undefined_Atom_Stereo_Count	0
66494	TPSA	77.8
23652731	Non-hydrogen_Atom_Count	29
10017965	Defined_Bond_Stereo_Count	0
3595299	Mono_Isotopic_Weight	117.042593085
9577984	Isotope_Atom_Count	0
9946953	Non-hydrogen_Atom_Count	24
11455317	TPSA	85.1
71718453	Exact_Mass	361.07661306
65793	Undefined_Bond_Stereo_Count	0
947097	Molecular_Weight	337.4
105031	Structure_Complexity	623
447587	Total_Formal_Charge	0
3439	Undefined_Atom_Stereo_Count	1
98210	Structure_Complexity	46.8
7528	Total_Formal_Charge	0
13946	XLogP3-AA	3.4
193504	Mono_Isotopic_Weight	102.115698455
735940	Total_Formal_Charge	0
6921840	Defined_Atom_Stereo_Count	1
11457675	XLogP3-AA	0.7
18632	TPSA	12.5
297812	Hydrogen_Bond_Donor_Count	8
194383	Non-hydrogen_Atom_Count	43
138506	Structure_Complexity	266
97860	Hydrogen_Bond_Acceptor_Count	3
5469318	Covalent_Unit_Count	1
88983	Mono_Isotopic_Weight	226.13174244
15559460	Undefined_Atom_Stereo_Count	5
13574950	Defined_Atom_Stereo_Count	0
5948958	Rotatable_Bond_Count	2
80717	Mono_Isotopic_Weight	260.01030715
6559	Molecular_Weight	69.11
129834562	Isotope_Atom_Count	0
611945	Exact_Mass	230.149077236
83904778	Total_Formal_Charge	0
46229348	Isotope_Atom_Count	0
9832750	Molecular_Weight	899.1
1549002	Molecular_Weight	290.4
71415	Isotope_Atom_Count	0
19392414	TPSA	61.8
81223	Tautomer_Count	2
15980171	Hydrogen_Bond_Donor_Count	3
20056950	Covalent_Unit_Count	1
90248267	Rotatable_Bond_Count	3
12711096	Covalent_Unit_Count	1
7496	Defined_Atom_Stereo_Count	0
12554979	Exact_Mass	96.093900383
127030167	Undefined_Atom_Stereo_Count	0
10298	Defined_Atom_Stereo_Count	0
123964585	Isotope_Atom_Count	0
57396213	Undefined_Atom_Stereo_Count	0
588352	Non-hydrogen_Atom_Count	18
138404353	Covalent_Unit_Count	2
56955281	XLogP3-AA	3.6
6327846	Defined_Atom_Stereo_Count	0
6433110	Structure_Complexity	515
22887897	Exact_Mass	423.23693578
41870	Molecular_Weight	280.28
10176113	Hydrogen_Bond_Donor_Count	0
3020188	Tautomer_Count	3
47289	Covalent_Unit_Count	1
25271884	Undefined_Bond_Stereo_Count	0
57882	Rotatable_Bond_Count	11
548945	Hydrogen_Bond_Donor_Count	0
136880	Undefined_Bond_Stereo_Count	0
456468	Structure_Complexity	93.1
28639	Mono_Isotopic_Weight	114.104465066
6868	Total_Formal_Charge	0
123888456	Isotope_Atom_Count	0
197	Structure_Complexity	638
116842253	Exact_Mass	109.089149355
59664	Molecular_Weight	354.14
1804	Hydrogen_Bond_Donor_Count	1
798	Non-hydrogen_Atom_Count	9
5357402	Structure_Complexity	202
46236925	Defined_Bond_Stereo_Count	0
21642823	Undefined_Bond_Stereo_Count	0
544629	Exact_Mass	99.068413911
2408	Hydrogen_Bond_Donor_Count	1
5518	Structure_Complexity	380
84571	Non-hydrogen_Atom_Count	23
280	XLogP3-AA	0.9
49142	Undefined_Bond_Stereo_Count	0
16599	Molecular_Weight	458.0
21864560	Defined_Bond_Stereo_Count	0
6914	Isotope_Atom_Count	0
20710	Molecular_Weight	305.4
446504	Exact_Mass	393.13584202
68928	Rotatable_Bond_Count	6
33344	Total_Formal_Charge	0
12309462	Hydrogen_Bond_Acceptor_Count	4
23729666	Total_Formal_Charge	0
879	Defined_Atom_Stereo_Count	0
80076	Rotatable_Bond_Count	1
70198	Hydrogen_Bond_Acceptor_Count	1
13435928	Hydrogen_Bond_Acceptor_Count	2
19592	XLogP3-AA	4.9
38876	Hydrogen_Bond_Acceptor_Count	0
6436082	Isotope_Atom_Count	0
6674	Defined_Atom_Stereo_Count	8
134564038	Mono_Isotopic_Weight	109.063997236
24901349	Molecular_Weight	481.6
413539	Isotope_Atom_Count	0
19851301	Undefined_Atom_Stereo_Count	0
123753428	Non-hydrogen_Atom_Count	8
58513815	Exact_Mass	98.084398327
16760	Mono_Isotopic_Weight	254.0126017
122173799	Exact_Mass	1095.46702979
135398645	Molecular_Weight	457.4
185554	Covalent_Unit_Count	1
23663403	Molecular_Weight	380.4
112030	Undefined_Atom_Stereo_Count	1
16120191	Rotatable_Bond_Count	3
166775	Total_Formal_Charge	0
68137	Molecular_Weight	180.16
8200	Structure_Complexity	78.6
14765771	TPSA	49.8
105026	Undefined_Bond_Stereo_Count	0
100934359	Defined_Atom_Stereo_Count	0
24198694	Non-hydrogen_Atom_Count	28
21608018	Total_Formal_Charge	0
10962	Defined_Bond_Stereo_Count	0
60139	TPSA	432
651720	TPSA	95.7
85441390	Non-hydrogen_Atom_Count	7
25144319	Defined_Atom_Stereo_Count	0
11944	Undefined_Atom_Stereo_Count	0
92536013	Molecular_Weight	370.5
80145	Undefined_Atom_Stereo_Count	0
20234583	TPSA	20.2
171527	TPSA	21.7
439195	Structure_Complexity	117
51040	XLogP3-AA	4.8
76583	Isotope_Atom_Count	0
59896759	Mono_Isotopic_Weight	225.0449137
66053	Defined_Bond_Stereo_Count	0
6956382	Mono_Isotopic_Weight	377.15013216
3264	TPSA	52.6
130224237	Covalent_Unit_Count	1
23663404	Total_Formal_Charge	0
135455401	Covalent_Unit_Count	1
513886	TPSA	89.8
6436055	TPSA	232
461	Total_Formal_Charge	0
32429	Isotope_Atom_Count	0
21161643	Undefined_Bond_Stereo_Count	0
19920	Mono_Isotopic_Weight	116.083729621
59999797	Hydrogen_Bond_Acceptor_Count	1
643606	Undefined_Atom_Stereo_Count	0
480242	Hydrogen_Bond_Donor_Count	2
405908	Exact_Mass	207.04663309
135659030	Total_Formal_Charge	0
5361250	Molecular_Weight	198.18
439155	Defined_Atom_Stereo_Count	5
60956	Defined_Bond_Stereo_Count	0
91239905	Rotatable_Bond_Count	0
357772	Rotatable_Bond_Count	5
63116	Mono_Isotopic_Weight	280.121177757
13671	TPSA	78.5
3035914	Molecular_Weight	258.32
73481	Defined_Atom_Stereo_Count	2
55263	Molecular_Weight	217.22
866400	Covalent_Unit_Count	1
119025724	Defined_Bond_Stereo_Count	0
9568077	Non-hydrogen_Atom_Count	21
164094748	Non-hydrogen_Atom_Count	8
74229	Molecular_Weight	193.24
14846	Hydrogen_Bond_Acceptor_Count	2
7270	Undefined_Bond_Stereo_Count	0
61306	Defined_Bond_Stereo_Count	0
10042953	Total_Formal_Charge	0
518900	Undefined_Atom_Stereo_Count	0
142186967	Mono_Isotopic_Weight	416.32904526
139133	Exact_Mass	114.068079557
3906961	Mono_Isotopic_Weight	201.98101840
483998	Covalent_Unit_Count	1
57864687	Defined_Atom_Stereo_Count	0
12443366	Undefined_Atom_Stereo_Count	0
44480399	Exact_Mass	393.13247072
6441012	Total_Formal_Charge	0
45356963	Total_Formal_Charge	0
156432753	Non-hydrogen_Atom_Count	8
131632500	Defined_Bond_Stereo_Count	0
59876594	Isotope_Atom_Count	0
784	Mono_Isotopic_Weight	34.005479302
23676735	TPSA	77.4
70647795	Hydrogen_Bond_Acceptor_Count	1
163317	Defined_Bond_Stereo_Count	0
53319741	Rotatable_Bond_Count	3
7087	Defined_Bond_Stereo_Count	0
4320774	XLogP3-AA	3.1
7991	Structure_Complexity	59.1
58453	Hydrogen_Bond_Acceptor_Count	3
968625	TPSA	74.9
25015691	Molecular_Weight	504.6
3354	Hydrogen_Bond_Acceptor_Count	5
439243	Rotatable_Bond_Count	12
16180	Defined_Bond_Stereo_Count	0
14028582	Undefined_Bond_Stereo_Count	0
129729130	Covalent_Unit_Count	1
68901489	Structure_Complexity	97.3
334657	Undefined_Atom_Stereo_Count	0
53670643	Exact_Mass	114.042927438
401234	Total_Formal_Charge	0
240767	Tautomer_Count	6
2781329	Isotope_Atom_Count	0
53869568	Mono_Isotopic_Weight	111.068413911
44148067	Hydrogen_Bond_Donor_Count	3
47462	Undefined_Atom_Stereo_Count	0
93285	Defined_Bond_Stereo_Count	0
136237316	Hydrogen_Bond_Acceptor_Count	7
85838693	Total_Formal_Charge	0
20979505	Defined_Atom_Stereo_Count	0
76963786	Molecular_Weight	297.39
87934	Hydrogen_Bond_Donor_Count	0
10407275	Total_Formal_Charge	0
158434	Undefined_Bond_Stereo_Count	0
18069	TPSA	43.1
16219444	Non-hydrogen_Atom_Count	24
12786810	Structure_Complexity	95.6
123704723	Rotatable_Bond_Count	1
11627212	Molecular_Weight	484.6
137782	TPSA	0
197856	Hydrogen_Bond_Acceptor_Count	6
11137	Defined_Atom_Stereo_Count	0
5316860	Hydrogen_Bond_Acceptor_Count	9
9843089	TPSA	86.4
20821294	Structure_Complexity	122
107647	Rotatable_Bond_Count	5
14517	Hydrogen_Bond_Donor_Count	0
21617691	Undefined_Atom_Stereo_Count	2
22168583	Structure_Complexity	300
11676981	XLogP3-AA	1.2
81981	Covalent_Unit_Count	1
90486	Hydrogen_Bond_Donor_Count	0
131876601	Hydrogen_Bond_Acceptor_Count	16
236745	Molecular_Weight	269.72
84215	Defined_Bond_Stereo_Count	0
89748954	TPSA	20.2
66011	Covalent_Unit_Count	1
143378061	TPSA	44.2
32283	Isotope_Atom_Count	0
160331	Structure_Complexity	365
539001	TPSA	17.1
106999	Defined_Bond_Stereo_Count	0
12892785	Isotope_Atom_Count	0
616642	Defined_Bond_Stereo_Count	0
11226684	Total_Formal_Charge	0
5497195	Defined_Bond_Stereo_Count	1
16843	Defined_Atom_Stereo_Count	0
57681561	Exact_Mass	393.21781779
347381	TPSA	83.1
59091406	Undefined_Bond_Stereo_Count	0
5743	Total_Formal_Charge	0
5791	Undefined_Atom_Stereo_Count	2
91041225	Defined_Bond_Stereo_Count	0
10452732	Tautomer_Count	2
67416	Rotatable_Bond_Count	8
68624	Rotatable_Bond_Count	3
537677	Covalent_Unit_Count	1
368	Hydrogen_Bond_Donor_Count	3
53387035	Covalent_Unit_Count	1
11332503	Non-hydrogen_Atom_Count	10
7663	Hydrogen_Bond_Donor_Count	0
21414	Hydrogen_Bond_Donor_Count	1
13150526	Hydrogen_Bond_Donor_Count	1
25780	Undefined_Atom_Stereo_Count	0
93083	Non-hydrogen_Atom_Count	6
71840	Structure_Complexity	256
73415804	Isotope_Atom_Count	0
245005	Undefined_Atom_Stereo_Count	1
53326398	Hydrogen_Bond_Donor_Count	2
53426560	Defined_Bond_Stereo_Count	0
91405	Hydrogen_Bond_Acceptor_Count	3
2866	Isotope_Atom_Count	0
12536731	Non-hydrogen_Atom_Count	8
6918852	Hydrogen_Bond_Acceptor_Count	11
398745	TPSA	36.3
87187299	Non-hydrogen_Atom_Count	14
535717	Molecular_Weight	99.13
13177208	Total_Formal_Charge	0
57396625	Total_Formal_Charge	0
71584053	Hydrogen_Bond_Donor_Count	1
66330	XLogP3	3
91532137	Defined_Bond_Stereo_Count	0
7892	Defined_Atom_Stereo_Count	0
40657	Rotatable_Bond_Count	11
68736	Non-hydrogen_Atom_Count	14
25263414	Covalent_Unit_Count	1
36967	Isotope_Atom_Count	0
2882	Undefined_Atom_Stereo_Count	0
9918460	Undefined_Bond_Stereo_Count	0
13401731	Molecular_Weight	83.13
131567	Undefined_Bond_Stereo_Count	0
11256587	Hydrogen_Bond_Acceptor_Count	4
657378	Hydrogen_Bond_Acceptor_Count	8
3032600	Molecular_Weight	425.9
60662	Rotatable_Bond_Count	12
7829	Structure_Complexity	179
71486	Covalent_Unit_Count	2
8411	TPSA	70.5
2724995	Defined_Bond_Stereo_Count	0
163578456	Defined_Atom_Stereo_Count	0
11825335	Non-hydrogen_Atom_Count	27
571973	Exact_Mass	107.048347172
21924633	TPSA	17.1
81397	Hydrogen_Bond_Donor_Count	1
85585524	Undefined_Bond_Stereo_Count	0
4489	Undefined_Atom_Stereo_Count	19
137349207	Mono_Isotopic_Weight	363.13830499
123923329	Rotatable_Bond_Count	13
10107393	Covalent_Unit_Count	1
77991	Rotatable_Bond_Count	5
11534927	Non-hydrogen_Atom_Count	16
23053647	Isotope_Atom_Count	0
49866901	Isotope_Atom_Count	0
73082918	XLogP3-AA	2.4
22574	Defined_Atom_Stereo_Count	0
139078609	TPSA	136
23677960	Covalent_Unit_Count	4
129677105	Defined_Bond_Stereo_Count	0
67807	Undefined_Atom_Stereo_Count	0
156618186	Undefined_Atom_Stereo_Count	0
1412	TPSA	77.8
117072551	Exact_Mass	524.0942002
123867503	Exact_Mass	108.093900383
17757212	Mono_Isotopic_Weight	423.1574413
55113	Undefined_Atom_Stereo_Count	0
16219	Isotope_Atom_Count	0
5388937	Covalent_Unit_Count	1
5452	Structure_Complexity	432
10364	Tautomer_Count	9
361739	Undefined_Bond_Stereo_Count	1
5365125	Covalent_Unit_Count	1
44310513	Total_Formal_Charge	0
22878123	Structure_Complexity	250
85991	Defined_Bond_Stereo_Count	0
7359	Covalent_Unit_Count	1
221523	Hydrogen_Bond_Acceptor_Count	1
73653998	XLogP3-AA	0.4
6919101	Exact_Mass	101.060254526
71457269	Hydrogen_Bond_Acceptor_Count	6
541675	Total_Formal_Charge	0
109016492	Hydrogen_Bond_Donor_Count	2
743492	Defined_Atom_Stereo_Count	0
18730041	XLogP3-AA	2.9
8800	Exact_Mass	198.0559907
91501	Tautomer_Count	1
57327016	Exact_Mass	784.27781479
12734569	Isotope_Atom_Count	0
84063979	Covalent_Unit_Count	1
54680783	Mono_Isotopic_Weight	250.08412354
4529	Non-hydrogen_Atom_Count	53
6439420	Isotope_Atom_Count	0
61012	Defined_Bond_Stereo_Count	0
611967	Isotope_Atom_Count	0
5222844	Hydrogen_Bond_Donor_Count	1
35365	Defined_Bond_Stereo_Count	0
9901	Hydrogen_Bond_Acceptor_Count	2
7163	Covalent_Unit_Count	1
11789135	Defined_Bond_Stereo_Count	0
160355	Hydrogen_Bond_Acceptor_Count	6
11256720	TPSA	70.7
206044	Rotatable_Bond_Count	12
6321422	Undefined_Atom_Stereo_Count	0
23684571	Hydrogen_Bond_Acceptor_Count	4
688691	Undefined_Bond_Stereo_Count	0
657238	Hydrogen_Bond_Donor_Count	2
12488	Covalent_Unit_Count	1
23565	Molecular_Weight	403.5
54393307	Hydrogen_Bond_Donor_Count	0
13000487	Defined_Bond_Stereo_Count	0
198822	Exact_Mass	339.0577075
16218641	Defined_Bond_Stereo_Count	0
61930	Isotope_Atom_Count	0
42609610	Non-hydrogen_Atom_Count	13
26346	XLogP3-AA	6.5
13003	Isotope_Atom_Count	0
26762	Molecular_Weight	229.32
23277878	Defined_Bond_Stereo_Count	0
521863	Exact_Mass	120.00674260
60196332	Undefined_Atom_Stereo_Count	0
71450114	Defined_Atom_Stereo_Count	2
53743621	Hydrogen_Bond_Acceptor_Count	2
67502	Undefined_Atom_Stereo_Count	0
101875160	Molecular_Weight	99.13
83553	Isotope_Atom_Count	0
62858	Defined_Bond_Stereo_Count	0
263086	Tautomer_Count	2
83864197	Non-hydrogen_Atom_Count	8
19690463	Defined_Atom_Stereo_Count	0
71622657	Hydrogen_Bond_Donor_Count	1
25142700	Undefined_Atom_Stereo_Count	0
20705517	Defined_Bond_Stereo_Count	0
10958189	Rotatable_Bond_Count	7
9917013	Isotope_Atom_Count	0
21638785	Undefined_Atom_Stereo_Count	0
74886	Structure_Complexity	731
41539	Hydrogen_Bond_Acceptor_Count	2
5389	XLogP3-AA	2.9
13015037	Undefined_Atom_Stereo_Count	0
2734231	Rotatable_Bond_Count	15
21093784	Rotatable_Bond_Count	5
279506	Exact_Mass	104.047344113
52947109	Mono_Isotopic_Weight	419.14567599
10233356	Non-hydrogen_Atom_Count	45
133269698	Exact_Mass	342.11621151
8360	Non-hydrogen_Atom_Count	11
1044	Mono_Isotopic_Weight	120.043596145
2764068	Covalent_Unit_Count	1
112	Mono_Isotopic_Weight	212.98002914
77674	Mono_Isotopic_Weight	163.927511
139488	TPSA	17.1
23934	Structure_Complexity	0
5281567	XLogP3-AA	2.4
90931176	Defined_Atom_Stereo_Count	0
102848	Defined_Atom_Stereo_Count	0
44609731	Non-hydrogen_Atom_Count	30
12735404	TPSA	49.3
10099005	Structure_Complexity	983
68163	Covalent_Unit_Count	1
80472094	Structure_Complexity	110
73813	Molecular_Weight	110.20
71300693	Tautomer_Count	54
6399027	Structure_Complexity	140
88022	Covalent_Unit_Count	1
598760	Defined_Bond_Stereo_Count	0
67645	Mono_Isotopic_Weight	520.9695404
5976	Undefined_Bond_Stereo_Count	0
14830385	Undefined_Bond_Stereo_Count	0
699222	TPSA	77
118142807	Exact_Mass	126.042927438
60196303	Rotatable_Bond_Count	1
5767	Molecular_Weight	376.5
5284583	Undefined_Bond_Stereo_Count	0
45452	Defined_Bond_Stereo_Count	0
128814	Hydrogen_Bond_Acceptor_Count	6
2724144	Molecular_Weight	89.56
59483386	Covalent_Unit_Count	1
1721	Hydrogen_Bond_Donor_Count	6
76716	Undefined_Bond_Stereo_Count	0
9578243	Mono_Isotopic_Weight	292.14230712
14296346	Undefined_Bond_Stereo_Count	0
55067	Non-hydrogen_Atom_Count	10
5288499	Defined_Atom_Stereo_Count	8
9043	TPSA	58.2
76692	Covalent_Unit_Count	1
18506428	Hydrogen_Bond_Donor_Count	2
208920	Exact_Mass	620.38656014
11589453	Defined_Atom_Stereo_Count	0
3971	Exact_Mass	306.136827821
556498	Undefined_Atom_Stereo_Count	4
51030054	Non-hydrogen_Atom_Count	30
29011	Non-hydrogen_Atom_Count	3
22831357	Mono_Isotopic_Weight	154.135765193
54582078	Rotatable_Bond_Count	5
36190	TPSA	21.7
3063228	Non-hydrogen_Atom_Count	10
3015009	Covalent_Unit_Count	1
10950142	Undefined_Atom_Stereo_Count	0
20739	Undefined_Atom_Stereo_Count	0
72978296	Undefined_Bond_Stereo_Count	0
13487685	Structure_Complexity	58.6
6441385	XLogP3	5.5
135408658	Rotatable_Bond_Count	3
16052039	Exact_Mass	662.4095366
11550876	Total_Formal_Charge	0
6445786	Mono_Isotopic_Weight	326.0952687
265520	Hydrogen_Bond_Acceptor_Count	2
937394	Mono_Isotopic_Weight	178.110613074
16844	Exact_Mass	149.0607417
16211948	Defined_Bond_Stereo_Count	0
11111	TPSA	148
40470	Rotatable_Bond_Count	1
18360	Defined_Atom_Stereo_Count	0
139080466	Defined_Atom_Stereo_Count	2
9910975	Hydrogen_Bond_Acceptor_Count	12
155613706	Isotope_Atom_Count	0
135512673	Covalent_Unit_Count	1
859122	Covalent_Unit_Count	1
11672461	Covalent_Unit_Count	5
15664	Exact_Mass	184.100048391
80821	Total_Formal_Charge	0
66304	Undefined_Bond_Stereo_Count	0
12601908	Non-hydrogen_Atom_Count	7
23234	Defined_Atom_Stereo_Count	0
49836020	Undefined_Bond_Stereo_Count	0
135643052	Defined_Bond_Stereo_Count	1
13062961	Hydrogen_Bond_Acceptor_Count	2
65905	Non-hydrogen_Atom_Count	23
165542295	Non-hydrogen_Atom_Count	8
471583	Structure_Complexity	341
141192121	Molecular_Weight	95.10
16052011	Non-hydrogen_Atom_Count	95
60	Exact_Mass	601.04750736
123704170	XLogP3-AA	2.3
45116668	Mono_Isotopic_Weight	110.048012819
558	Undefined_Bond_Stereo_Count	0
130165	Total_Formal_Charge	0
123494194	Total_Formal_Charge	0
70846	Hydrogen_Bond_Donor_Count	0
141297532	TPSA	38.6
2757748	Structure_Complexity	104
45456	Undefined_Bond_Stereo_Count	0
1615208	Hydrogen_Bond_Acceptor_Count	1
27566	Hydrogen_Bond_Donor_Count	0
23664054	Molecular_Weight	248.16
87831585	Structure_Complexity	101
11697697	Tautomer_Count	5
16683101	Isotope_Atom_Count	0
54682830	Mono_Isotopic_Weight	250.08412354
14010989	Defined_Atom_Stereo_Count	0
101239377	Covalent_Unit_Count	1
61635	Defined_Atom_Stereo_Count	0
21675743	Molecular_Weight	100.16
2914	Structure_Complexity	903
78368	Undefined_Atom_Stereo_Count	0
129710649	Molecular_Weight	130.09
11170938	Mono_Isotopic_Weight	112.074896272
70480850	Total_Formal_Charge	0
20735704	Isotope_Atom_Count	0
16760577	Mono_Isotopic_Weight	325.17902698
9874175	Mono_Isotopic_Weight	640.36247064
4431056	Non-hydrogen_Atom_Count	8
78979	Total_Formal_Charge	0
11513721	Undefined_Bond_Stereo_Count	0
3086677	Undefined_Bond_Stereo_Count	0
681183	Non-hydrogen_Atom_Count	22
749	Exact_Mass	434.23113938
3480590	Structure_Complexity	467
89421960	TPSA	29.5
9830615	Structure_Complexity	1060
712239	Defined_Bond_Stereo_Count	0
5284553	Undefined_Bond_Stereo_Count	0
445319	Non-hydrogen_Atom_Count	7
1991	Isotope_Atom_Count	0
18139	Molecular_Weight	226.27
24955007	Mono_Isotopic_Weight	566.1586568
1481733	Hydrogen_Bond_Donor_Count	2
3953	Non-hydrogen_Atom_Count	21
96412	Defined_Atom_Stereo_Count	0
42552713	Exact_Mass	342.11621151
167305	Total_Formal_Charge	0
24202578	Hydrogen_Bond_Donor_Count	2
440918	Structure_Complexity	98.5
54	Isotope_Atom_Count	0
88095	Molecular_Weight	162.14
11251803	Defined_Atom_Stereo_Count	16
23725051	Undefined_Atom_Stereo_Count	1
163285285	Exact_Mass	288.020082
90041889	Rotatable_Bond_Count	1
3339	TPSA	52.6
14791281	Molecular_Weight	180.24
6657	Non-hydrogen_Atom_Count	7
145562	Undefined_Bond_Stereo_Count	0
68009554	Non-hydrogen_Atom_Count	23
18278	Hydrogen_Bond_Donor_Count	4
56339	Undefined_Atom_Stereo_Count	0
6436730	TPSA	319
57473238	Hydrogen_Bond_Donor_Count	1
5284461	TPSA	121
3356	Total_Formal_Charge	0
9841240	Mono_Isotopic_Weight	348.14739250
1083	Covalent_Unit_Count	1
79483	Hydrogen_Bond_Donor_Count	2
71643	Covalent_Unit_Count	1
4989215	TPSA	14.1
16683028	Hydrogen_Bond_Acceptor_Count	7
78328	Hydrogen_Bond_Acceptor_Count	3
44573579	TPSA	57.2
2811264	Covalent_Unit_Count	1
54587226	TPSA	99.4
639391	Total_Formal_Charge	0
75005	Hydrogen_Bond_Donor_Count	0
621558	TPSA	118
119175	Isotope_Atom_Count	0
123801	Structure_Complexity	174
66261	Hydrogen_Bond_Donor_Count	0
6715	TPSA	51.2
2775941	Undefined_Atom_Stereo_Count	0
23682187	Rotatable_Bond_Count	5
87931798	Mono_Isotopic_Weight	115.063328530
3081	Defined_Bond_Stereo_Count	0
450591	Isotope_Atom_Count	1
5460639	Hydrogen_Bond_Donor_Count	1
689816	Hydrogen_Bond_Acceptor_Count	3
21783	Hydrogen_Bond_Donor_Count	1
5460185	Exact_Mass	298.18791464
440277	Rotatable_Bond_Count	8
637939	Undefined_Atom_Stereo_Count	0
18728952	Hydrogen_Bond_Acceptor_Count	2
5419	XLogP3-AA	1.8
10882	TPSA	26.3
11651149	Covalent_Unit_Count	1
954443	Mono_Isotopic_Weight	291.0581549
62583	Undefined_Atom_Stereo_Count	1
22830	TPSA	63.4
19078026	Molecular_Weight	99.13
164695	Non-hydrogen_Atom_Count	20
606430	Mono_Isotopic_Weight	208.109944368
1855	Undefined_Atom_Stereo_Count	0
135532928	Isotope_Atom_Count	0
59154995	Undefined_Bond_Stereo_Count	0
21718278	Exact_Mass	111.079647300
46529	Defined_Bond_Stereo_Count	0
6338	Hydrogen_Bond_Acceptor_Count	0
447518	Exact_Mass	579.21343743
67570	Total_Formal_Charge	0
62478	Non-hydrogen_Atom_Count	11
63333521	Rotatable_Bond_Count	0
3668	XLogP3-AA	0.9
3951	Undefined_Bond_Stereo_Count	0
76121	Non-hydrogen_Atom_Count	6
14079973	Hydrogen_Bond_Acceptor_Count	3
10162742	TPSA	103
16097729	Defined_Atom_Stereo_Count	0
23464986	Hydrogen_Bond_Donor_Count	1
12529691	Isotope_Atom_Count	0
541384	Defined_Bond_Stereo_Count	0
30487	Undefined_Bond_Stereo_Count	0
87868	Defined_Bond_Stereo_Count	0
147614	Hydrogen_Bond_Acceptor_Count	3
3849	Isotope_Atom_Count	0
15993	Hydrogen_Bond_Acceptor_Count	16
70684820	Molecular_Weight	524.0
13766702	Molecular_Weight	564.7
20172	Non-hydrogen_Atom_Count	30
60196437	Exact_Mass	376.13469677
12817963	Structure_Complexity	113
684	Covalent_Unit_Count	1
20167	Covalent_Unit_Count	1
8030	Hydrogen_Bond_Donor_Count	0
66137	TPSA	0
65546	Mono_Isotopic_Weight	151.099714038
10510810	Structure_Complexity	66.3
8095	Undefined_Bond_Stereo_Count	0
22836365	Exact_Mass	181.06674293
202792	Defined_Atom_Stereo_Count	0
11671	Rotatable_Bond_Count	1
16536	Hydrogen_Bond_Acceptor_Count	2
79474	Undefined_Bond_Stereo_Count	0
57401681	XLogP3-AA	5
46830239	Isotope_Atom_Count	0
123600	Non-hydrogen_Atom_Count	17
50491	Undefined_Bond_Stereo_Count	0
123070	Structure_Complexity	0
66156	Total_Formal_Charge	0
6419933	Defined_Atom_Stereo_Count	38
19357220	Non-hydrogen_Atom_Count	8
19338	Structure_Complexity	241
651720	Defined_Atom_Stereo_Count	0
3003141	Molecular_Weight	354.3
9999	Undefined_Bond_Stereo_Count	0
75714	Exact_Mass	115.063328530
12243	Non-hydrogen_Atom_Count	6
7090	Exact_Mass	162.079312947
12669582	XLogP3-AA	0.7
12997	XLogP3-AA	4.6
358996	Defined_Bond_Stereo_Count	0
19427867	TPSA	38.3
14502976	Undefined_Bond_Stereo_Count	0
23394557	Undefined_Atom_Stereo_Count	0
5702065	Defined_Atom_Stereo_Count	1
4942	Isotope_Atom_Count	0
11987858	Hydrogen_Bond_Donor_Count	0
53818193	Covalent_Unit_Count	1
57406720	Undefined_Atom_Stereo_Count	1
27891	Covalent_Unit_Count	2
162652	Molecular_Weight	173.13
89748954	XLogP3-AA	1.6
41109	Isotope_Atom_Count	0
54760133	Undefined_Bond_Stereo_Count	0
13867124	Exact_Mass	288.183778013
118705487	Structure_Complexity	160
2724	Defined_Atom_Stereo_Count	0
18381089	Undefined_Atom_Stereo_Count	0
104755	Structure_Complexity	0
57057056	Molecular_Weight	116.16
56931136	Molecular_Weight	462.9
11146968	Hydrogen_Bond_Acceptor_Count	7
17561	Rotatable_Bond_Count	2
22149470	TPSA	29
140519105	Hydrogen_Bond_Acceptor_Count	2
2804997	XLogP3-AA	5.5
2734236	Hydrogen_Bond_Donor_Count	0
14869	TPSA	49.3
118210659	Rotatable_Bond_Count	0
11432307	Undefined_Bond_Stereo_Count	0
88867195	Structure_Complexity	64.8
11731	Hydrogen_Bond_Donor_Count	1
9821545	Undefined_Bond_Stereo_Count	0
17017	Hydrogen_Bond_Acceptor_Count	2
96198	Tautomer_Count	1
7474	Defined_Atom_Stereo_Count	0
679777	Total_Formal_Charge	0
3611397	Defined_Bond_Stereo_Count	0
2723766	Molecular_Weight	164.16
22772	Tautomer_Count	1
75879	Molecular_Weight	356.4
27430	XLogP3-AA	5
5359421	Mono_Isotopic_Weight	287.15214353
40489	Defined_Bond_Stereo_Count	0
5311507	Rotatable_Bond_Count	5
68616	Defined_Bond_Stereo_Count	0
6621	Structure_Complexity	306
1261	Undefined_Atom_Stereo_Count	1
28697	Tautomer_Count	1
618566	Exact_Mass	428.99761
103	Hydrogen_Bond_Donor_Count	11
439583	TPSA	110
157568	TPSA	26.3
12547675	Hydrogen_Bond_Donor_Count	0
17714	Non-hydrogen_Atom_Count	21
72823952	TPSA	40.5
201828	Exact_Mass	213.115364102
6777	Hydrogen_Bond_Donor_Count	0
12289749	Defined_Bond_Stereo_Count	0
134735	Hydrogen_Bond_Donor_Count	0
11789135	Total_Formal_Charge	0
23363597	Non-hydrogen_Atom_Count	10
247469	Covalent_Unit_Count	1
5283339	Tautomer_Count	4
72271	Structure_Complexity	935
51174	Defined_Bond_Stereo_Count	0
86384	Covalent_Unit_Count	3
4285	XLogP3-AA	6.3
5488548	Hydrogen_Bond_Acceptor_Count	5
10197657	TPSA	43.1
9855795	Molecular_Weight	204.35
3082042	Tautomer_Count	256
5360696	Undefined_Bond_Stereo_Count	0
22466500	Hydrogen_Bond_Acceptor_Count	3
16497	Non-hydrogen_Atom_Count	11
66684067	XLogP3-AA	4.3
14250	Mono_Isotopic_Weight	335.21876
11503692	Rotatable_Bond_Count	7
44631912	Undefined_Bond_Stereo_Count	0
92154	Structure_Complexity	269
11787	Structure_Complexity	160
60078648	TPSA	110
10844548	Isotope_Atom_Count	0
56033	Tautomer_Count	5
87098264	Defined_Atom_Stereo_Count	0
12409173	Hydrogen_Bond_Acceptor_Count	1
551630	Undefined_Atom_Stereo_Count	1
9390	Defined_Bond_Stereo_Count	0
70821	Structure_Complexity	219
57336812	Defined_Atom_Stereo_Count	0
72941955	Covalent_Unit_Count	1
52948146	Rotatable_Bond_Count	5
5361202	Non-hydrogen_Atom_Count	29
526362	Exact_Mass	325.87649
14502695	Molecular_Weight	109.17
64945	Rotatable_Bond_Count	1
68384915	Non-hydrogen_Atom_Count	21
141681	Tautomer_Count	1
74710	Undefined_Bond_Stereo_Count	0
3355	Non-hydrogen_Atom_Count	28
403803	Undefined_Bond_Stereo_Count	0
8868	Tautomer_Count	5
23537	TPSA	29.1
5353521	Isotope_Atom_Count	0
3816	Hydrogen_Bond_Donor_Count	3
5282768	Hydrogen_Bond_Acceptor_Count	2
147304866	Covalent_Unit_Count	1
161929	Hydrogen_Bond_Acceptor_Count	1
810229	Non-hydrogen_Atom_Count	23
4135	Isotope_Atom_Count	0
135966012	Total_Formal_Charge	0
68072	Defined_Atom_Stereo_Count	0
2354	TPSA	137
10436103	Hydrogen_Bond_Acceptor_Count	16
53917786	Mono_Isotopic_Weight	113.022526347
532	Defined_Bond_Stereo_Count	0
85056	Undefined_Atom_Stereo_Count	0
24826799	Molecular_Weight	532.6
136069	Defined_Bond_Stereo_Count	0
15950003	Hydrogen_Bond_Donor_Count	1
6438394	Isotope_Atom_Count	0
5319022	Covalent_Unit_Count	1
521863	Rotatable_Bond_Count	2
369401	Rotatable_Bond_Count	0
12746990	Molecular_Weight	113.12
22281424	Hydrogen_Bond_Acceptor_Count	2
79772	Defined_Atom_Stereo_Count	0
15774823	Undefined_Bond_Stereo_Count	0
53456	TPSA	87.1
15197399	TPSA	40.4
97120	Molecular_Weight	255.40
23533832	Isotope_Atom_Count	0
21452007	Non-hydrogen_Atom_Count	11
96264	Exact_Mass	168.05349212
44419427	Covalent_Unit_Count	1
11764862	Undefined_Bond_Stereo_Count	0
16437056	Mono_Isotopic_Weight	113.058911855
21889167	Mono_Isotopic_Weight	161.06880783
77456	TPSA	86
15174915	Exact_Mass	360.16852187
5357479	Undefined_Atom_Stereo_Count	0
22468	TPSA	0
3627	Defined_Atom_Stereo_Count	0
19847	Defined_Atom_Stereo_Count	0
12268623	Defined_Atom_Stereo_Count	0
698364	Undefined_Atom_Stereo_Count	0
146158693	Total_Formal_Charge	0
178144	TPSA	37.7
12717	Molecular_Weight	119.08
14202705	Non-hydrogen_Atom_Count	8
68260836	Undefined_Atom_Stereo_Count	2
20295235	Covalent_Unit_Count	1
76469	Total_Formal_Charge	0
5473268	Total_Formal_Charge	0
135019886	Non-hydrogen_Atom_Count	23
256737	TPSA	60.7
1449	Hydrogen_Bond_Donor_Count	1
439186	Non-hydrogen_Atom_Count	23
10449	XLogP3-AA	1.3
446201	Undefined_Atom_Stereo_Count	0
119086019	Hydrogen_Bond_Acceptor_Count	4
57004451	Exact_Mass	114.068079557
1249	Defined_Bond_Stereo_Count	0
3538	Structure_Complexity	482
25273208	Hydrogen_Bond_Acceptor_Count	3
6097043	Defined_Bond_Stereo_Count	0
4649906	TPSA	26.8
128918	Undefined_Bond_Stereo_Count	0
14020433	Total_Formal_Charge	0
71196	Molecular_Weight	387.5
6407	Hydrogen_Bond_Donor_Count	0
198576	Structure_Complexity	443
27866	Defined_Bond_Stereo_Count	0
7532	Exact_Mass	172.01941529
50023	Defined_Atom_Stereo_Count	0
4269486	Rotatable_Bond_Count	0
153997	Isotope_Atom_Count	0
227085	Covalent_Unit_Count	1
153643637	Defined_Bond_Stereo_Count	0
96344	Hydrogen_Bond_Acceptor_Count	3
129636345	Non-hydrogen_Atom_Count	22
103564347	Undefined_Bond_Stereo_Count	0
73759969	Non-hydrogen_Atom_Count	67
745	Isotope_Atom_Count	0
446411	Molecular_Weight	414.5
119047	Covalent_Unit_Count	1
2383	Undefined_Bond_Stereo_Count	0
141082	Rotatable_Bond_Count	3
68191	TPSA	0
8445	Defined_Atom_Stereo_Count	0
20680	Exact_Mass	130.110613074
85104	Tautomer_Count	3
3746	Total_Formal_Charge	1
675	Hydrogen_Bond_Donor_Count	1
92781	Hydrogen_Bond_Acceptor_Count	6
60183	Total_Formal_Charge	0
61916	Covalent_Unit_Count	1
163276613	Hydrogen_Bond_Acceptor_Count	2
152986859	Covalent_Unit_Count	1
146159812	XLogP3-AA	6
1028	Hydrogen_Bond_Acceptor_Count	6
123650722	Non-hydrogen_Atom_Count	47
89131	Isotope_Atom_Count	0
7393	TPSA	20.2
129630288	Hydrogen_Bond_Donor_Count	8
45138674	Non-hydrogen_Atom_Count	41
358996	TPSA	46.3
6417	Defined_Bond_Stereo_Count	0
657251	Hydrogen_Bond_Acceptor_Count	7
66414	Defined_Bond_Stereo_Count	0
12305037	Defined_Atom_Stereo_Count	1
10250	Undefined_Atom_Stereo_Count	0
12315	Covalent_Unit_Count	1
66828839	Defined_Atom_Stereo_Count	7
36305	Defined_Atom_Stereo_Count	0
256019	Defined_Bond_Stereo_Count	0
6604561	Total_Formal_Charge	0
168381	Total_Formal_Charge	0
76973294	TPSA	57.2
585174	Mono_Isotopic_Weight	136.052429494
2367	Molecular_Weight	472.4
74904	Defined_Bond_Stereo_Count	0
45278337	Exact_Mass	421.28983728
52598	Mono_Isotopic_Weight	372.15862589
130845868	Total_Formal_Charge	0
22737404	Hydrogen_Bond_Acceptor_Count	3
42602176	Isotope_Atom_Count	0
59841	Hydrogen_Bond_Acceptor_Count	6
44310743	Total_Formal_Charge	0
57865	Total_Formal_Charge	0
12262	Molecular_Weight	104.15
12300006	Structure_Complexity	1140
9885850	Structure_Complexity	552
57515833	XLogP3-AA	2
678081	Structure_Complexity	365
688363	Structure_Complexity	276
23000709	Mono_Isotopic_Weight	99.043261792
21226398	Non-hydrogen_Atom_Count	7
62098	Defined_Atom_Stereo_Count	0
12741658	Exact_Mass	100.052429494
5252324	TPSA	6.5
6326334	Hydrogen_Bond_Acceptor_Count	8
4476692	Total_Formal_Charge	0
6563	Rotatable_Bond_Count	1
25024304	Structure_Complexity	690
17236	Covalent_Unit_Count	1
65360	Exact_Mass	207.05652907
16249	Isotope_Atom_Count	0
26176	Hydrogen_Bond_Donor_Count	0
6419536	TPSA	50.2
25191018	Hydrogen_Bond_Donor_Count	2
18065	Defined_Atom_Stereo_Count	0
59281	Defined_Bond_Stereo_Count	0
46625	Exact_Mass	195.05315777
37464	TPSA	41.5
5318998	Hydrogen_Bond_Donor_Count	2
154091501	Undefined_Bond_Stereo_Count	0
28446	Molecular_Weight	165.24
3041256	Hydrogen_Bond_Donor_Count	1
3033968	Undefined_Atom_Stereo_Count	0
87474167	Structure_Complexity	79.8
97337	Isotope_Atom_Count	0
9819610	Defined_Bond_Stereo_Count	0
123489618	Non-hydrogen_Atom_Count	8
5365976	Rotatable_Bond_Count	5
139070837	Undefined_Atom_Stereo_Count	0
13707503	Rotatable_Bond_Count	2
16687076	Undefined_Bond_Stereo_Count	0
71583049	TPSA	113
5546	Defined_Atom_Stereo_Count	0
425440	Non-hydrogen_Atom_Count	7
5355856	Molecular_Weight	224.34
73513	Total_Formal_Charge	0
46490	Defined_Atom_Stereo_Count	0
11285588	Exact_Mass	731.30002740
6918562	TPSA	358
21872496	Defined_Bond_Stereo_Count	0
80152	Covalent_Unit_Count	1
17787659	Exact_Mass	112.063662883
5144	Total_Formal_Charge	0
12705044	Exact_Mass	104.062600255
62719	Mono_Isotopic_Weight	218.13382109
21924633	Mono_Isotopic_Weight	98.073164938
5462210	Isotope_Atom_Count	0
18062	Structure_Complexity	167
150728341	XLogP3-AA	1.3
10058	Total_Formal_Charge	0
65871	Non-hydrogen_Atom_Count	26
7045767	XLogP3-AA	0.4
11640298	Hydrogen_Bond_Acceptor_Count	5
17894357	Hydrogen_Bond_Acceptor_Count	4
58191	Covalent_Unit_Count	1
3763	Mono_Isotopic_Weight	183.9714332
6917839	Hydrogen_Bond_Donor_Count	2
156618186	Undefined_Bond_Stereo_Count	0
10184774	Hydrogen_Bond_Acceptor_Count	6
7020337	Exact_Mass	477.09994880
12285866	Isotope_Atom_Count	1
70717	Molecular_Weight	113.11
60496	Rotatable_Bond_Count	11
54064807	TPSA	17.1
53394153	Structure_Complexity	552
12248306	Structure_Complexity	101
450268	Non-hydrogen_Atom_Count	14
137	Hydrogen_Bond_Donor_Count	2
12768404	Defined_Bond_Stereo_Count	0
75472	Hydrogen_Bond_Donor_Count	1
60201425	Hydrogen_Bond_Donor_Count	2
61902348	Defined_Bond_Stereo_Count	0
21749202	Structure_Complexity	78.6
6891	Defined_Bond_Stereo_Count	0
134551	Hydrogen_Bond_Acceptor_Count	6
9952396	Defined_Bond_Stereo_Count	0
53710320	TPSA	56.2
12617365	Exact_Mass	415.0741989
17948845	Hydrogen_Bond_Acceptor_Count	3
7833	Undefined_Bond_Stereo_Count	0
968951	Defined_Atom_Stereo_Count	0
10750	Structure_Complexity	232
3002003	Isotope_Atom_Count	0
101684738	Total_Formal_Charge	0
13651	Total_Formal_Charge	0
102601163	Structure_Complexity	541
15165	Undefined_Atom_Stereo_Count	1
424361	Defined_Atom_Stereo_Count	0
5366074	Molecular_Weight	190.28
85500	Rotatable_Bond_Count	6
5364714	Tautomer_Count	1
5388961	Structure_Complexity	638
14147082	Defined_Bond_Stereo_Count	0
53324128	Exact_Mass	446.14642732
6328648	TPSA	0
18680274	Defined_Atom_Stereo_Count	0
26388	Exact_Mass	445.14938408
16120	Covalent_Unit_Count	1
48000	Undefined_Atom_Stereo_Count	0
10888095	Molecular_Weight	152.19
150899	Exact_Mass	240.187800766
54556023	Mono_Isotopic_Weight	113.084063974
31257	Total_Formal_Charge	0
14484	Undefined_Bond_Stereo_Count	0
925642	Rotatable_Bond_Count	3
46231497	Defined_Atom_Stereo_Count	0
91386640	Exact_Mass	101.084063974
5382853	XLogP3-AA	2.6
137784	Structure_Complexity	82
208920	Defined_Bond_Stereo_Count	0
24883429	Structure_Complexity	819
145454	Covalent_Unit_Count	1
578771	Defined_Atom_Stereo_Count	0
76902	Rotatable_Bond_Count	6
71963842	Rotatable_Bond_Count	15
24971342	Structure_Complexity	427
517827	TPSA	17.1
71724	Hydrogen_Bond_Acceptor_Count	8
241	XLogP3	2.1
20517892	Mono_Isotopic_Weight	202.15689456
41744	TPSA	215
12285879	Hydrogen_Bond_Acceptor_Count	6
11446863	Tautomer_Count	2
5743836	TPSA	49.8
76216	Undefined_Atom_Stereo_Count	0
121494046	Molecular_Weight	181.15
13795010	XLogP3-AA	1
65124	Undefined_Atom_Stereo_Count	0
71624098	Non-hydrogen_Atom_Count	27
12328896	TPSA	136
11719003	Rotatable_Bond_Count	7
70683091	Mono_Isotopic_Weight	488.21475861
135140866	Hydrogen_Bond_Acceptor_Count	2
5481173	Hydrogen_Bond_Donor_Count	3
3417	Mono_Isotopic_Weight	138.00819570
56841872	Mono_Isotopic_Weight	392.19990218
5354022	Total_Formal_Charge	0
12695798	Molecular_Weight	113.20
94034	Hydrogen_Bond_Donor_Count	1
11446296	Hydrogen_Bond_Donor_Count	2
5483847	Undefined_Atom_Stereo_Count	0
23673604	Structure_Complexity	328
7026	Non-hydrogen_Atom_Count	19
12386878	Defined_Bond_Stereo_Count	0
15071433	Defined_Atom_Stereo_Count	4
66826	Total_Formal_Charge	0
398700	Defined_Bond_Stereo_Count	0
24181805	Non-hydrogen_Atom_Count	28
59440	Defined_Atom_Stereo_Count	0
11126249	Total_Formal_Charge	0
9890377	Covalent_Unit_Count	1
16224	XLogP3	4.2
721861	Non-hydrogen_Atom_Count	14
48362	Covalent_Unit_Count	1
161930	Structure_Complexity	502
456058	Defined_Atom_Stereo_Count	7
5918	Undefined_Bond_Stereo_Count	0
18769554	Isotope_Atom_Count	0
9526	Undefined_Bond_Stereo_Count	0
54729367	Total_Formal_Charge	0
965784	XLogP3-AA	4
53232	Rotatable_Bond_Count	7
23835544	Covalent_Unit_Count	1
8512	Non-hydrogen_Atom_Count	17
9949641	Undefined_Atom_Stereo_Count	0
129821916	Rotatable_Bond_Count	4
80252	Tautomer_Count	1
34591	Undefined_Atom_Stereo_Count	0
132575067	Isotope_Atom_Count	0
54331	Rotatable_Bond_Count	4
596336	Isotope_Atom_Count	0
33360	XLogP3-AA	2.7
5491906	Undefined_Bond_Stereo_Count	0
2997881	Rotatable_Bond_Count	1
11886769	Structure_Complexity	382
15723	Structure_Complexity	268
6328682	Structure_Complexity	313
664081	Structure_Complexity	399
428338	Rotatable_Bond_Count	2
85864362	Rotatable_Bond_Count	1
7020657	Exact_Mass	198.079312947
20372060	Molecular_Weight	113.11
21844441	Defined_Atom_Stereo_Count	0
56658432	Undefined_Atom_Stereo_Count	1
19966840	Hydrogen_Bond_Acceptor_Count	1
135413505	Structure_Complexity	415
14742703	Exact_Mass	349.16779360
3811100	Isotope_Atom_Count	0
134129158	TPSA	77.6
31227	Covalent_Unit_Count	1
11750	TPSA	45.8
57401681	TPSA	119
18302	Defined_Atom_Stereo_Count	0
5281064	TPSA	195
441073	Tautomer_Count	1
1012812	Structure_Complexity	467
44521022	TPSA	72.4
19876500	Isotope_Atom_Count	0
1727	Undefined_Atom_Stereo_Count	0
74136	Mono_Isotopic_Weight	371.09225967
56842070	Undefined_Atom_Stereo_Count	0
50918929	Hydrogen_Bond_Donor_Count	0
7987	Covalent_Unit_Count	1
161500	Covalent_Unit_Count	1
160617	Isotope_Atom_Count	0
71306415	Undefined_Bond_Stereo_Count	0
18779014	Covalent_Unit_Count	1
23689036	Hydrogen_Bond_Acceptor_Count	4
211468	Total_Formal_Charge	0
7761	Isotope_Atom_Count	0
449331	Exact_Mass	1099.61785045
7048634	Structure_Complexity	674
17946	XLogP3	2.9
12069	Molecular_Weight	211.13
136738541	Exact_Mass	1115.33041247
135398653	Mono_Isotopic_Weight	239.10183929
142123799	TPSA	32.3
69610	Covalent_Unit_Count	1
7182	Defined_Atom_Stereo_Count	0
10329124	Hydrogen_Bond_Donor_Count	12
66614	Total_Formal_Charge	0
7304	Defined_Bond_Stereo_Count	0
86052146	Rotatable_Bond_Count	3
7272	TPSA	52.6
290670	Undefined_Atom_Stereo_Count	8
14667	Rotatable_Bond_Count	4
44407558	Exact_Mass	289.04558772
65728	XLogP3-AA	8.3
102293	Isotope_Atom_Count	0
2348	XLogP3	0.9
11662332	XLogP3-AA	2.6
520540	Molecular_Weight	84.12
25200298	Structure_Complexity	1830
71380	Rotatable_Bond_Count	0
36014	Tautomer_Count	1
89953	TPSA	55.1
450503	Tautomer_Count	1
41980	Structure_Complexity	296
140	Structure_Complexity	624
9690122	Exact_Mass	292.0146493
7472	Undefined_Bond_Stereo_Count	0
5151436	Total_Formal_Charge	0
42645248	Defined_Bond_Stereo_Count	0
541087	XLogP3-AA	2.3
67375395	TPSA	103
135398638	Undefined_Bond_Stereo_Count	0
535535	Undefined_Bond_Stereo_Count	0
129711468	Hydrogen_Bond_Acceptor_Count	3
4343483	Molecular_Weight	109.80
77022	TPSA	28.7
25052023	Isotope_Atom_Count	0
129652893	Defined_Atom_Stereo_Count	0
11170991	Structure_Complexity	129
59888749	Undefined_Bond_Stereo_Count	0
31136	Total_Formal_Charge	0
68489225	Structure_Complexity	534
6401	Hydrogen_Bond_Donor_Count	0
72207311	Structure_Complexity	66.5
141282199	Covalent_Unit_Count	1
903738	Defined_Bond_Stereo_Count	0
7800	Non-hydrogen_Atom_Count	16
69162577	Hydrogen_Bond_Donor_Count	1
3683036	Rotatable_Bond_Count	4
5342002	Mono_Isotopic_Weight	285.0920418
182176	Tautomer_Count	3
11727234	XLogP3-AA	3
25019940	Covalent_Unit_Count	1
2419	TPSA	53.1
49869312	Defined_Bond_Stereo_Count	0
90916291	Hydrogen_Bond_Donor_Count	1
24849134	Defined_Bond_Stereo_Count	0
3083542	XLogP3-AA	7
20974	Non-hydrogen_Atom_Count	14
21314538	Defined_Atom_Stereo_Count	0
29075	Hydrogen_Bond_Donor_Count	0
134436906	Mono_Isotopic_Weight	525.24883788
86289608	Undefined_Atom_Stereo_Count	0
22833454	TPSA	26
81836	Hydrogen_Bond_Donor_Count	0
5288725	Undefined_Atom_Stereo_Count	0
74262	Hydrogen_Bond_Donor_Count	0
86100	Defined_Bond_Stereo_Count	0
5288382	Hydrogen_Bond_Acceptor_Count	9
9793926	Undefined_Atom_Stereo_Count	0
35841	Undefined_Atom_Stereo_Count	0
3035406	Covalent_Unit_Count	1
32468	Defined_Atom_Stereo_Count	0
163613625	Defined_Bond_Stereo_Count	0
12868288	Undefined_Atom_Stereo_Count	2
681950	Molecular_Weight	257.33
56848	XLogP3-AA	4.2
14284	Isotope_Atom_Count	0
10689555	Hydrogen_Bond_Acceptor_Count	9
24917007	Defined_Bond_Stereo_Count	0
79998	Tautomer_Count	1
398729	TPSA	50.6
13661819	Hydrogen_Bond_Donor_Count	1
59154995	Hydrogen_Bond_Acceptor_Count	2
13521831	Exact_Mass	99.068413911
73881	Undefined_Atom_Stereo_Count	0
123678021	Hydrogen_Bond_Acceptor_Count	0
284995	Undefined_Bond_Stereo_Count	0
6620134	TPSA	94.8
127036660	Undefined_Atom_Stereo_Count	0
10558590	Mono_Isotopic_Weight	113.084063974
11073365	Total_Formal_Charge	0
76736	Tautomer_Count	1
297930	Non-hydrogen_Atom_Count	44
9319	Hydrogen_Bond_Donor_Count	0
12950121	Rotatable_Bond_Count	1
72200940	Structure_Complexity	745
74944	Hydrogen_Bond_Donor_Count	0
168625	Non-hydrogen_Atom_Count	12
14443	Exact_Mass	428.23112213
21613900	Exact_Mass	111.043261792
16760159	Tautomer_Count	3
10788	Undefined_Atom_Stereo_Count	0
12599352	XLogP3-AA	0.5
9821174	Defined_Atom_Stereo_Count	2
410099	Defined_Bond_Stereo_Count	0
10493936	Hydrogen_Bond_Donor_Count	1
59717617	Hydrogen_Bond_Acceptor_Count	3
86007746	TPSA	46.6
24502	Exact_Mass	293.772825
21123040	Hydrogen_Bond_Donor_Count	4
21075956	Total_Formal_Charge	0
80715	Covalent_Unit_Count	1
101602	Defined_Bond_Stereo_Count	0
62010	Total_Formal_Charge	0
67944215	Exact_Mass	180.06338810
70693583	Hydrogen_Bond_Donor_Count	1
95848	Undefined_Bond_Stereo_Count	0
129010364	Structure_Complexity	1220
9934032	Defined_Atom_Stereo_Count	0
22612	Undefined_Bond_Stereo_Count	0
19754	Molecular_Weight	90.19
28523	Hydrogen_Bond_Acceptor_Count	22
1013	Undefined_Bond_Stereo_Count	0
6474320	Tautomer_Count	998
10313102	Undefined_Bond_Stereo_Count	0
417753	Exact_Mass	495.1275944
5487542	Isotope_Atom_Count	0
137658	Undefined_Bond_Stereo_Count	0
78357784	Covalent_Unit_Count	1
81457	XLogP3-AA	0.8
5014	Covalent_Unit_Count	1
53470	Mono_Isotopic_Weight	245.08520679
12477	Total_Formal_Charge	0
150748	Hydrogen_Bond_Donor_Count	0
2997	XLogP3	2.9
2582	Rotatable_Bond_Count	5
71449585	Defined_Bond_Stereo_Count	0
40478	Hydrogen_Bond_Donor_Count	0
163714395	Rotatable_Bond_Count	1
439551	Non-hydrogen_Atom_Count	25
736500	Rotatable_Bond_Count	1
4255	Covalent_Unit_Count	1
13582607	XLogP3-AA	0.4
5833	Exact_Mass	416.20213067
68030	Hydrogen_Bond_Donor_Count	0
69026	Exact_Mass	218.83535
825921	Isotope_Atom_Count	0
13653621	Molecular_Weight	420.5
19829701	Structure_Complexity	107
141168949	Rotatable_Bond_Count	1
73957	Non-hydrogen_Atom_Count	22
159470	Molecular_Weight	221.30
1615208	Rotatable_Bond_Count	2
194338	Hydrogen_Bond_Donor_Count	2
4762	Defined_Atom_Stereo_Count	0
529389	Defined_Bond_Stereo_Count	0
639661	Molecular_Weight	84.16
158432	Exact_Mass	313.03348495
24808	Structure_Complexity	8
2771917	Undefined_Bond_Stereo_Count	0
75310475	Rotatable_Bond_Count	10
10433	Hydrogen_Bond_Donor_Count	2
400772	XLogP3-AA	1.4
6436541	Hydrogen_Bond_Acceptor_Count	4
18428533	Covalent_Unit_Count	1
5357580	Defined_Bond_Stereo_Count	2
88715	Covalent_Unit_Count	1
135442941	Structure_Complexity	529
82507	Defined_Atom_Stereo_Count	0
10923804	Molecular_Weight	275.37
3047787	XLogP3-AA	4.2
78723	Hydrogen_Bond_Donor_Count	1
6917778	Non-hydrogen_Atom_Count	19
68321900	Exact_Mass	365.17394160
445	Defined_Atom_Stereo_Count	0
3082781	Undefined_Atom_Stereo_Count	0
133134	Mono_Isotopic_Weight	554.28528295
14238	Defined_Atom_Stereo_Count	0
120070	Undefined_Atom_Stereo_Count	0
22463839	Hydrogen_Bond_Donor_Count	0
135410917	Tautomer_Count	4
4136	Hydrogen_Bond_Donor_Count	1
444503	Covalent_Unit_Count	1
545268	TPSA	12.5
5273759	Undefined_Atom_Stereo_Count	0
639420	Defined_Bond_Stereo_Count	0
197861	Mono_Isotopic_Weight	195.162314293
130145407	Molecular_Weight	110.15
17458	Molecular_Weight	386.4
88314418	Non-hydrogen_Atom_Count	29
57318251	Isotope_Atom_Count	0
31772	Defined_Bond_Stereo_Count	0
12581088	Covalent_Unit_Count	1
11992	Defined_Atom_Stereo_Count	0
534235	Hydrogen_Bond_Acceptor_Count	1
2086	Hydrogen_Bond_Acceptor_Count	4
116021439	Mono_Isotopic_Weight	113.084063974
12576587	Defined_Bond_Stereo_Count	0
7	XLogP3	0.2
13198436	Exact_Mass	102.031694049
101450	Molecular_Weight	196.12
13072114	Hydrogen_Bond_Acceptor_Count	9
61099	Undefined_Atom_Stereo_Count	2
669846	Undefined_Atom_Stereo_Count	0
18626418	Mono_Isotopic_Weight	118.062994177
21252905	Non-hydrogen_Atom_Count	8
1548953	Covalent_Unit_Count	1
10464455	Defined_Atom_Stereo_Count	0
137224392	Undefined_Atom_Stereo_Count	2
52944532	Undefined_Bond_Stereo_Count	0
21333560	Total_Formal_Charge	0
51003592	Undefined_Bond_Stereo_Count	0
92247	Hydrogen_Bond_Acceptor_Count	1
164135990	Molecular_Weight	95.14
31497	Non-hydrogen_Atom_Count	17
134	Hydrogen_Bond_Acceptor_Count	2
42725	TPSA	81.1
5359853	Covalent_Unit_Count	3
564751	Mono_Isotopic_Weight	231.162314293
2804680	Mono_Isotopic_Weight	283.0211625
44571150	Defined_Bond_Stereo_Count	0
440784	Non-hydrogen_Atom_Count	43
4173327	Covalent_Unit_Count	1
14146878	Isotope_Atom_Count	0
13359	Undefined_Bond_Stereo_Count	0
102003559	Exact_Mass	1438.56054879
9022	Undefined_Atom_Stereo_Count	0
637969	Rotatable_Bond_Count	0
546259	Hydrogen_Bond_Acceptor_Count	1
25208	Undefined_Atom_Stereo_Count	2
10473088	Undefined_Atom_Stereo_Count	0
75355757	Isotope_Atom_Count	0
66251	Covalent_Unit_Count	2
5460797	Exact_Mass	118.050418117
154517323	Total_Formal_Charge	0
140606019	TPSA	34
176907	Non-hydrogen_Atom_Count	19
21907926	Molecular_Weight	124.06
3570	Mono_Isotopic_Weight	353.116426730
18510	Mono_Isotopic_Weight	226.193280068
33014	Isotope_Atom_Count	0
44242939	Isotope_Atom_Count	0
94791	Total_Formal_Charge	0
6975	Covalent_Unit_Count	1
73707	XLogP3-AA	5.5
182484	Tautomer_Count	1
16850	Rotatable_Bond_Count	0
11115032	Exact_Mass	666.22185834
260716	Non-hydrogen_Atom_Count	8
9228	Hydrogen_Bond_Acceptor_Count	2
46883307	Undefined_Bond_Stereo_Count	0
21865974	Isotope_Atom_Count	0
131535	TPSA	192
12714402	Undefined_Atom_Stereo_Count	1
11607904	XLogP3-AA	0
280	Defined_Atom_Stereo_Count	0
13972130	Structure_Complexity	76.6
5113487	Defined_Atom_Stereo_Count	0
518727	Undefined_Bond_Stereo_Count	0
5757	Hydrogen_Bond_Acceptor_Count	2
46228852	TPSA	135
63622	Defined_Bond_Stereo_Count	0
25015107	Structure_Complexity	635
444036	Mono_Isotopic_Weight	500.18442974
459494	Rotatable_Bond_Count	4
11634645	Structure_Complexity	643
115071571	Undefined_Atom_Stereo_Count	0
57035514	Mono_Isotopic_Weight	112.063662883
81732	Undefined_Atom_Stereo_Count	0
75846	Undefined_Bond_Stereo_Count	0
88323	TPSA	64.9
52949543	Total_Formal_Charge	0
29758	Structure_Complexity	158
38532	Undefined_Bond_Stereo_Count	2
6161490	Structure_Complexity	234
41428	Undefined_Bond_Stereo_Count	0
243556	Hydrogen_Bond_Acceptor_Count	1
21527	Non-hydrogen_Atom_Count	11
158182	Hydrogen_Bond_Donor_Count	1
57394195	Undefined_Bond_Stereo_Count	0
4293071	Undefined_Bond_Stereo_Count	0
14969	Hydrogen_Bond_Donor_Count	19
16211009	TPSA	86
17050	Total_Formal_Charge	0
517106	Molecular_Weight	236.05
138231	Non-hydrogen_Atom_Count	6
163050679	Structure_Complexity	415
13610389	TPSA	30.7
500	Defined_Bond_Stereo_Count	0
25102720	Total_Formal_Charge	0
187888	Isotope_Atom_Count	0
60152109	TPSA	95.1
135413552	TPSA	33.6
52706	Tautomer_Count	2
16021	Isotope_Atom_Count	0
97268	Non-hydrogen_Atom_Count	16
989	Hydrogen_Bond_Acceptor_Count	3
7976	Mono_Isotopic_Weight	94.053098200
12545984	Non-hydrogen_Atom_Count	7
129627774	Exact_Mass	1033.54575866
6640	Exact_Mass	200.05071541
11566	Rotatable_Bond_Count	0
135455401	Molecular_Weight	156.95
15004989	Undefined_Atom_Stereo_Count	1
49757967	XLogP3-AA	0.7
71737800	Defined_Bond_Stereo_Count	0
443933	Defined_Bond_Stereo_Count	0
21255491	Molecular_Weight	108.18
44154493	Total_Formal_Charge	0
23675747	Undefined_Bond_Stereo_Count	0
68907	Mono_Isotopic_Weight	212.0716407
134399	Undefined_Bond_Stereo_Count	0
23677829	Hydrogen_Bond_Donor_Count	2
447277	Non-hydrogen_Atom_Count	29
22339897	Undefined_Bond_Stereo_Count	0
4149208	Hydrogen_Bond_Acceptor_Count	2
17920260	XLogP3-AA	1.5
82335	Defined_Atom_Stereo_Count	1
85963	Covalent_Unit_Count	1
69689	Tautomer_Count	3
194953	Hydrogen_Bond_Donor_Count	3
16329	Defined_Atom_Stereo_Count	0
3080589	Structure_Complexity	355
11332423	Molecular_Weight	103.16
15681692	Hydrogen_Bond_Acceptor_Count	2
534838	Undefined_Bond_Stereo_Count	1
81530	Defined_Atom_Stereo_Count	0
146159143	Undefined_Bond_Stereo_Count	1
89350	Defined_Atom_Stereo_Count	0
57335384	Non-hydrogen_Atom_Count	40
643497	Tautomer_Count	2
132399083	Undefined_Atom_Stereo_Count	0
3032279	Undefined_Bond_Stereo_Count	0
13521831	XLogP3-AA	0.8
76319	Undefined_Bond_Stereo_Count	0
84106846	XLogP3-AA	1.8
94459	TPSA	28.2
6540298	Undefined_Atom_Stereo_Count	0
534566	Tautomer_Count	3
548545	Total_Formal_Charge	0
11831043	Defined_Atom_Stereo_Count	5
117899707	Rotatable_Bond_Count	1
3625248	TPSA	106
44590402	Non-hydrogen_Atom_Count	29
57398392	Undefined_Atom_Stereo_Count	0
81080	Rotatable_Bond_Count	11
517922	Total_Formal_Charge	0
73174	Covalent_Unit_Count	1
4092621	Non-hydrogen_Atom_Count	15
55917	Mono_Isotopic_Weight	276.0777887
6866	Hydrogen_Bond_Donor_Count	0
98614	Structure_Complexity	292
16409	Exact_Mass	366.02863691
56945145	Undefined_Bond_Stereo_Count	0
23432895	Rotatable_Bond_Count	2
396765	Total_Formal_Charge	0
45139106	Hydrogen_Bond_Acceptor_Count	8
3085219	Rotatable_Bond_Count	0
271814	Mono_Isotopic_Weight	256.146329876
963289	Undefined_Atom_Stereo_Count	0
16653	TPSA	45.6
41377	Non-hydrogen_Atom_Count	17
60824	Molecular_Weight	349.30
14116454	Molecular_Weight	98.10
273032	Hydrogen_Bond_Donor_Count	2
10334852	Rotatable_Bond_Count	6
7819	Undefined_Atom_Stereo_Count	0
4517	Undefined_Bond_Stereo_Count	0
11521070	Mono_Isotopic_Weight	99.068413911
54605501	Exact_Mass	497.21513732
11219835	Undefined_Atom_Stereo_Count	0
103687	Tautomer_Count	1
50631	Total_Formal_Charge	0
12209629	Defined_Bond_Stereo_Count	0
447545	Mono_Isotopic_Weight	659.20027549
517304	Exact_Mass	768.36893846
79484	XLogP3	1.2
148119	Undefined_Bond_Stereo_Count	0
9824345	Molecular_Weight	436.5
69301	TPSA	27.7
11181837	Undefined_Atom_Stereo_Count	0
18730079	Isotope_Atom_Count	0
89094825	TPSA	18.5
286827	Exact_Mass	101.084063974
78165	Defined_Atom_Stereo_Count	0
21943991	Undefined_Atom_Stereo_Count	1
15092989	XLogP3-AA	0.4
738541	Hydrogen_Bond_Donor_Count	1
8621	Exact_Mass	189.9952203
25021359	Structure_Complexity	233
57303454	Molecular_Weight	94.11
9881626	Undefined_Bond_Stereo_Count	0
21058171	Defined_Atom_Stereo_Count	0
13795008	Rotatable_Bond_Count	0
4830	Hydrogen_Bond_Donor_Count	1
11020241	Structure_Complexity	232
21903	XLogP3-AA	2.4
56955180	TPSA	56.7
9491	Total_Formal_Charge	0
11565240	Structure_Complexity	457
65859	Isotope_Atom_Count	0
107202	Hydrogen_Bond_Acceptor_Count	3
10278	Defined_Bond_Stereo_Count	0
5281643	TPSA	207
6433208	Structure_Complexity	509
21889836	Molecular_Weight	679.8
5462355	Hydrogen_Bond_Donor_Count	6
30177	Total_Formal_Charge	0
21917771	Hydrogen_Bond_Acceptor_Count	2
65246	Non-hydrogen_Atom_Count	16
15983549	Exact_Mass	454.22162007
65876	Undefined_Bond_Stereo_Count	0
11439	Defined_Atom_Stereo_Count	0
12801	Molecular_Weight	162.14
197127	TPSA	123
26975	Rotatable_Bond_Count	4
70689065	Hydrogen_Bond_Donor_Count	0
24568	Non-hydrogen_Atom_Count	24
6918076	Defined_Bond_Stereo_Count	0
15439	Isotope_Atom_Count	0
57504473	Total_Formal_Charge	0
9934458	Hydrogen_Bond_Donor_Count	1
2762659	Undefined_Atom_Stereo_Count	0
67629	Mono_Isotopic_Weight	236.1707067
785	Defined_Bond_Stereo_Count	0
71453204	Defined_Atom_Stereo_Count	1
15024801	Hydrogen_Bond_Donor_Count	0
15106	TPSA	38
6372	XLogP3-AA	1.8
25123	Molecular_Weight	162.23
67948733	Rotatable_Bond_Count	3
14184	Molecular_Weight	345.9
7098630	Undefined_Bond_Stereo_Count	0
102678	Non-hydrogen_Atom_Count	38
2818146	Defined_Bond_Stereo_Count	0
3033968	Undefined_Bond_Stereo_Count	0
165157	Molecular_Weight	887.0
12997	Total_Formal_Charge	0
163613625	Total_Formal_Charge	0
14815775	Structure_Complexity	133
17779323	Covalent_Unit_Count	1
9898827	Exact_Mass	127.063328530
502272	Exact_Mass	346.14884905
139692	Non-hydrogen_Atom_Count	7
148651588	Exact_Mass	112.088815002
57583195	Defined_Atom_Stereo_Count	0
92829	Rotatable_Bond_Count	5
12590282	Isotope_Atom_Count	0
45857	Rotatable_Bond_Count	3
4155932	Defined_Bond_Stereo_Count	0
644113	Molecular_Weight	363.2
10436	Mono_Isotopic_Weight	124.052429494
93843	XLogP3-AA	5
16004722	Isotope_Atom_Count	0
75633	XLogP3-AA	0.5
141201	TPSA	0
5256228	Undefined_Atom_Stereo_Count	0
323180	Undefined_Atom_Stereo_Count	0
10532551	Exact_Mass	678.26494143
24987	Hydrogen_Bond_Donor_Count	0
18555	Rotatable_Bond_Count	0
53484290	Hydrogen_Bond_Acceptor_Count	2
13765	Undefined_Atom_Stereo_Count	0
59059978	Total_Formal_Charge	0
97824	Molecular_Weight	159.23
104815	Hydrogen_Bond_Donor_Count	0
6906	Hydrogen_Bond_Acceptor_Count	0
630689	Defined_Atom_Stereo_Count	0
46919879	Isotope_Atom_Count	0
6064	Structure_Complexity	875
24950594	Undefined_Bond_Stereo_Count	0
97383	Covalent_Unit_Count	1
616631	TPSA	40
10138259	Hydrogen_Bond_Acceptor_Count	6
25010775	Non-hydrogen_Atom_Count	25
138394128	Mono_Isotopic_Weight	624.171497
129726370	Mono_Isotopic_Weight	266.224580195
67172	Tautomer_Count	45
5388880	Non-hydrogen_Atom_Count	1
15493441	Rotatable_Bond_Count	2
9868491	Non-hydrogen_Atom_Count	32
533877	Non-hydrogen_Atom_Count	7
23983765	Hydrogen_Bond_Acceptor_Count	3
66708	XLogP3-AA	2
98468	Mono_Isotopic_Weight	223.136099547
15511	Mono_Isotopic_Weight	104.06597156
5359624	Hydrogen_Bond_Donor_Count	0
3708	Covalent_Unit_Count	1
5053	Rotatable_Bond_Count	7
13319222	Exact_Mass	103.099714038
72693	Structure_Complexity	1020
19800669	Defined_Bond_Stereo_Count	0
97383	Exact_Mass	208.9713554
23219736	TPSA	49.7
2756017	Hydrogen_Bond_Donor_Count	1
5280953	Hydrogen_Bond_Donor_Count	1
21542775	TPSA	45.7
5468154	Undefined_Atom_Stereo_Count	0
266052	Total_Formal_Charge	0
67435079	Defined_Bond_Stereo_Count	0
11126361	Rotatable_Bond_Count	1
27755	Mono_Isotopic_Weight	417.08169844
64148	Hydrogen_Bond_Donor_Count	0
146265392	Rotatable_Bond_Count	1
2764838	Structure_Complexity	113
3831985	Non-hydrogen_Atom_Count	31
62097	Structure_Complexity	192
135430996	Mono_Isotopic_Weight	565.24712380
5460610	Defined_Bond_Stereo_Count	0
10220511	Rotatable_Bond_Count	0
10219763	Hydrogen_Bond_Acceptor_Count	6
85829	Defined_Bond_Stereo_Count	0
118984450	Molecular_Weight	5808
3859614	Undefined_Atom_Stereo_Count	0
220338	Defined_Atom_Stereo_Count	5
594130	TPSA	44
450484	Non-hydrogen_Atom_Count	22
2153	TPSA	69.3
31013	Non-hydrogen_Atom_Count	16
54580845	Structure_Complexity	315
36816	Undefined_Bond_Stereo_Count	0
856	Molecular_Weight	426.7
93092	Molecular_Weight	224.39
6074	Defined_Bond_Stereo_Count	0
24825268	Undefined_Bond_Stereo_Count	0
13019052	Defined_Atom_Stereo_Count	3
11349000	Molecular_Weight	362.4
48368	Molecular_Weight	448.5
19648	Exact_Mass	1456.4334786
6847	Total_Formal_Charge	0
22615	Defined_Atom_Stereo_Count	0
57521	XLogP3-AA	4.3
91580832	TPSA	58.6
325	Undefined_Bond_Stereo_Count	0
198140	Exact_Mass	215.105862047
172997	TPSA	54.3
7406	Undefined_Bond_Stereo_Count	0
19367743	Isotope_Atom_Count	0
9935274	Structure_Complexity	624
154825561	XLogP3-AA	2.9
91756	Undefined_Atom_Stereo_Count	0
2546	Undefined_Atom_Stereo_Count	2
2765	Undefined_Bond_Stereo_Count	0
2720	Total_Formal_Charge	0
49865355	Undefined_Atom_Stereo_Count	0
65490	Covalent_Unit_Count	1
19935257	Hydrogen_Bond_Donor_Count	2
28315	Undefined_Atom_Stereo_Count	0
45791189	Defined_Bond_Stereo_Count	0
22211722	Non-hydrogen_Atom_Count	28
55303612	Total_Formal_Charge	0
17834171	Hydrogen_Bond_Acceptor_Count	2
4110039	Exact_Mass	132.00096561
62354	Undefined_Atom_Stereo_Count	13
6969	Isotope_Atom_Count	0
135418174	Defined_Bond_Stereo_Count	0
6850813	Structure_Complexity	237
162990683	Total_Formal_Charge	0
197835	Total_Formal_Charge	0
266934	Undefined_Bond_Stereo_Count	0
62870	Undefined_Bond_Stereo_Count	0
2724248	Mono_Isotopic_Weight	260.08067248
11983193	Isotope_Atom_Count	0
140905	Exact_Mass	112.088815002
31193	Hydrogen_Bond_Donor_Count	0
29498	Undefined_Atom_Stereo_Count	0
9546757	Undefined_Bond_Stereo_Count	0
92131803	Rotatable_Bond_Count	6
13311642	Mono_Isotopic_Weight	102.068079557
5289373	Mono_Isotopic_Weight	430.23553880
6441388	Non-hydrogen_Atom_Count	44
70435	Structure_Complexity	8
22628	Rotatable_Bond_Count	1
1804	Undefined_Atom_Stereo_Count	0
75931	Undefined_Atom_Stereo_Count	0
45484175	Structure_Complexity	638
4374	Molecular_Weight	179.26
539001	Exact_Mass	126.02924926
1821	Defined_Bond_Stereo_Count	0
22020874	Hydrogen_Bond_Donor_Count	0
2763078	Isotope_Atom_Count	0
2167	Covalent_Unit_Count	1
89760664	Undefined_Atom_Stereo_Count	0
398700	Exact_Mass	560.03762
4397	Structure_Complexity	509
87367	Undefined_Atom_Stereo_Count	0
6854	Total_Formal_Charge	0
78220	Hydrogen_Bond_Donor_Count	1
8641	Non-hydrogen_Atom_Count	14
26798	Hydrogen_Bond_Donor_Count	1
3843	Mono_Isotopic_Weight	495.17942091
12564	TPSA	0
71209	Tautomer_Count	2
670359	Structure_Complexity	434
44814423	Hydrogen_Bond_Donor_Count	4
138593	XLogP3-AA	3
145458139	Defined_Bond_Stereo_Count	0
59704100	Mono_Isotopic_Weight	116.083729621
68710	TPSA	28.6
12256	Total_Formal_Charge	0
57077234	Total_Formal_Charge	0
20656	Total_Formal_Charge	0
102360081	Hydrogen_Bond_Donor_Count	1
441337	Hydrogen_Bond_Acceptor_Count	5
46936821	TPSA	228
37873	Molecular_Weight	88.06
3829279	Covalent_Unit_Count	1
136183544	Covalent_Unit_Count	3
5537	Defined_Bond_Stereo_Count	0
14809959	Isotope_Atom_Count	0
54170005	Undefined_Bond_Stereo_Count	1
14949211	TPSA	12
16683012	Hydrogen_Bond_Donor_Count	15
77009	Structure_Complexity	176
107166	Covalent_Unit_Count	1
21879777	XLogP3-AA	1.1
23974	Molecular_Weight	140.116
91021644	Isotope_Atom_Count	0
776222	Mono_Isotopic_Weight	182.084398327
3034814	Hydrogen_Bond_Donor_Count	1
123558404	TPSA	20.3
6941	Tautomer_Count	1
93374	Structure_Complexity	65.3
104805	Rotatable_Bond_Count	0
709156	Mono_Isotopic_Weight	346.11398438
6443013	Non-hydrogen_Atom_Count	21
5311093	Undefined_Bond_Stereo_Count	0
67615455	Defined_Bond_Stereo_Count	0
3647458	TPSA	41.1
46891563	Defined_Atom_Stereo_Count	2
54340209	Rotatable_Bond_Count	1
86472	Defined_Bond_Stereo_Count	0
5353607	Hydrogen_Bond_Acceptor_Count	6
82766	Exact_Mass	114.068079557
21306027	Hydrogen_Bond_Donor_Count	0
7203	Undefined_Atom_Stereo_Count	0
17462	Isotope_Atom_Count	0
10986185	Total_Formal_Charge	0
65246	Total_Formal_Charge	0
24759	Hydrogen_Bond_Donor_Count	14
10044	Covalent_Unit_Count	1
52943718	XLogP3-AA	3.6
95064	Molecular_Weight	211.34
87844643	Structure_Complexity	76.1
8528	Undefined_Atom_Stereo_Count	0
5814	TPSA	86.7
4066245	Rotatable_Bond_Count	3
14241464	TPSA	42.5
81432	Undefined_Atom_Stereo_Count	0
9897697	Rotatable_Bond_Count	9
206567	Undefined_Atom_Stereo_Count	0
136333	Non-hydrogen_Atom_Count	5
18542136	Structure_Complexity	488
12431565	Mono_Isotopic_Weight	98.073164938
15529	XLogP3	3.7
6438149	Non-hydrogen_Atom_Count	26
60910	Covalent_Unit_Count	1
15122	Defined_Bond_Stereo_Count	0
35075	Covalent_Unit_Count	1
87476740	Rotatable_Bond_Count	1
26908	Structure_Complexity	361
74361	Rotatable_Bond_Count	5
6442439	Molecular_Weight	166.22
23670359	Isotope_Atom_Count	0
15411	Isotope_Atom_Count	0
131254	Structure_Complexity	729
3153	Covalent_Unit_Count	1
247839	Hydrogen_Bond_Donor_Count	1
202225	Hydrogen_Bond_Donor_Count	0
4724212	Structure_Complexity	67.5
49852291	Mono_Isotopic_Weight	412.1764997
20514195	Mono_Isotopic_Weight	103.063328530
4228493	Defined_Bond_Stereo_Count	0
12486215	Molecular_Weight	191.23
3425	Isotope_Atom_Count	0
694146	Total_Formal_Charge	0
4448	Total_Formal_Charge	0
19768890	Defined_Bond_Stereo_Count	0
71402	Covalent_Unit_Count	1
101365706	Covalent_Unit_Count	1
5497105	Isotope_Atom_Count	0
5488631	Hydrogen_Bond_Acceptor_Count	2
25381	Rotatable_Bond_Count	3
25102	Hydrogen_Bond_Donor_Count	4
9817917	TPSA	135
122844	Exact_Mass	454.34469533
14169893	Undefined_Atom_Stereo_Count	0
10228095	Covalent_Unit_Count	1
119097554	Total_Formal_Charge	0
9403	Undefined_Bond_Stereo_Count	0
57829	Mono_Isotopic_Weight	196.0421705
5003	Tautomer_Count	1
98723	Undefined_Bond_Stereo_Count	0
16212984	Structure_Complexity	54.9
4659392	Structure_Complexity	426
3702	Undefined_Atom_Stereo_Count	1
11647679	Hydrogen_Bond_Acceptor_Count	3
78406	Non-hydrogen_Atom_Count	21
54961	TPSA	31.7
588	Structure_Complexity	151
135392883	Undefined_Atom_Stereo_Count	1
54758034	Defined_Bond_Stereo_Count	0
24181457	Covalent_Unit_Count	2
91322204	XLogP3-AA	1.2
7098680	Defined_Atom_Stereo_Count	2
161764	Molecular_Weight	628.1
10384259	Defined_Atom_Stereo_Count	0
133688117	Defined_Atom_Stereo_Count	4
30468	Defined_Bond_Stereo_Count	0
968	Undefined_Bond_Stereo_Count	0
8195	Undefined_Bond_Stereo_Count	0
9022	Total_Formal_Charge	1
54036153	Undefined_Atom_Stereo_Count	0
23666830	Total_Formal_Charge	0
51886	Hydrogen_Bond_Acceptor_Count	4
3034	Hydrogen_Bond_Donor_Count	4
7120	Rotatable_Bond_Count	3
25793	Covalent_Unit_Count	1
11007841	TPSA	25.8
291133	Hydrogen_Bond_Acceptor_Count	3
25512	Hydrogen_Bond_Donor_Count	0
70690618	Molecular_Weight	398.5
19077501	Mono_Isotopic_Weight	390.1258817
13224	Defined_Atom_Stereo_Count	0
138891	TPSA	0
7239	Isotope_Atom_Count	0
3162	Undefined_Bond_Stereo_Count	0
48040	Defined_Atom_Stereo_Count	0
9583	Isotope_Atom_Count	0
48368	Tautomer_Count	1
42645244	Non-hydrogen_Atom_Count	35
58612101	Total_Formal_Charge	0
10901524	Non-hydrogen_Atom_Count	18
19951	Hydrogen_Bond_Donor_Count	0
7757	Structure_Complexity	106
714937	Undefined_Bond_Stereo_Count	0
18615953	Molecular_Weight	116.12
54936	Covalent_Unit_Count	1
273577	Defined_Bond_Stereo_Count	0
23681217	Non-hydrogen_Atom_Count	14
136951315	Covalent_Unit_Count	2
439778	Defined_Atom_Stereo_Count	0
115368	Molecular_Weight	426.6
129628202	Hydrogen_Bond_Acceptor_Count	25
11979535	Isotope_Atom_Count	0
118972006	XLogP3-AA	1.5
517957	Tautomer_Count	1
129146	Undefined_Atom_Stereo_Count	0
13401731	TPSA	21.9
16114404	Undefined_Atom_Stereo_Count	0
8363	Mono_Isotopic_Weight	228.078644241
17298	Molecular_Weight	219.28
10111264	Hydrogen_Bond_Acceptor_Count	5
3685	Total_Formal_Charge	0
31275	Exact_Mass	88.052429494
12193653	Rotatable_Bond_Count	1
3025961	Undefined_Atom_Stereo_Count	0
69674281	Structure_Complexity	112
6324616	Defined_Bond_Stereo_Count	3
24916941	Undefined_Bond_Stereo_Count	0
155815	Covalent_Unit_Count	1
57070769	Defined_Atom_Stereo_Count	8
71583044	Undefined_Atom_Stereo_Count	0
9808235	Tautomer_Count	1
441037	Exact_Mass	267.09541650
557678	Total_Formal_Charge	0
138122	Mono_Isotopic_Weight	41.026549100
60154331	Molecular_Weight	360.21
131057	Hydrogen_Bond_Donor_Count	4
74570	Mono_Isotopic_Weight	162.9955546
42710	Molecular_Weight	361.9
57656869	Rotatable_Bond_Count	4
107800	Tautomer_Count	2
13113546	TPSA	29.1
627458	Non-hydrogen_Atom_Count	18
19779961	Undefined_Bond_Stereo_Count	0
44419240	TPSA	93.4
101142080	Undefined_Bond_Stereo_Count	0
16721	Defined_Bond_Stereo_Count	0
5311053	Mono_Isotopic_Weight	424.1652663
71893	Mono_Isotopic_Weight	139.063328530
941385	TPSA	71.1
139283	Mono_Isotopic_Weight	65.97882412
62705687	Non-hydrogen_Atom_Count	33
76548	Non-hydrogen_Atom_Count	12
11542775	Rotatable_Bond_Count	3
12870232	Defined_Bond_Stereo_Count	0
37142	Non-hydrogen_Atom_Count	20
13235324	Structure_Complexity	179
5310991	Mono_Isotopic_Weight	558.27298694
5783	Isotope_Atom_Count	0
71697	Rotatable_Bond_Count	5
261501	Mono_Isotopic_Weight	261.06709375
33473	Hydrogen_Bond_Donor_Count	1
17038	Defined_Bond_Stereo_Count	0
201990	TPSA	28.7
23642227	Exact_Mass	580.28969963
28429	Defined_Atom_Stereo_Count	0
134687040	Mono_Isotopic_Weight	545.23667825
52946123	Undefined_Bond_Stereo_Count	0
65764	Hydrogen_Bond_Donor_Count	0
788781	Hydrogen_Bond_Donor_Count	0
118210808	Undefined_Bond_Stereo_Count	0
3039	Structure_Complexity	181
93019	XLogP3-AA	1.3
11412	Structure_Complexity	40
830033	Defined_Bond_Stereo_Count	0
2729	Defined_Bond_Stereo_Count	0
5351564	Undefined_Atom_Stereo_Count	0
140979362	Non-hydrogen_Atom_Count	7
44346	Defined_Atom_Stereo_Count	0
45117195	Covalent_Unit_Count	1
196129	XLogP3-AA	3.9
67258456	Mono_Isotopic_Weight	111.006876283
154734173	XLogP3-AA	0.2
712377	Structure_Complexity	160
78330	Total_Formal_Charge	0
5280343	Hydrogen_Bond_Donor_Count	5
9938326	Defined_Atom_Stereo_Count	1
135449331	Tautomer_Count	15
2570	Undefined_Bond_Stereo_Count	0
819440	Undefined_Bond_Stereo_Count	0
21622656	Total_Formal_Charge	0
2460	Rotatable_Bond_Count	8
20015	Total_Formal_Charge	0
18712663	Covalent_Unit_Count	1
704245	Hydrogen_Bond_Acceptor_Count	4
859783	Undefined_Atom_Stereo_Count	0
27655	Undefined_Atom_Stereo_Count	1
465069	Non-hydrogen_Atom_Count	18
12757499	Total_Formal_Charge	0
45120722	Rotatable_Bond_Count	0
59886072	TPSA	110
2111	TPSA	88.6
13132266	Defined_Bond_Stereo_Count	0
72165228	Undefined_Bond_Stereo_Count	0
22636846	Non-hydrogen_Atom_Count	8
637520	Rotatable_Bond_Count	3
10288191	Total_Formal_Charge	0
195432	Rotatable_Bond_Count	8
92129	Defined_Bond_Stereo_Count	0
3622	Defined_Bond_Stereo_Count	0
5460048	Structure_Complexity	133
222757	Undefined_Atom_Stereo_Count	0
364836	Structure_Complexity	117
21221120	Covalent_Unit_Count	1
572331	Defined_Atom_Stereo_Count	0
21058	Rotatable_Bond_Count	6
25070195	Hydrogen_Bond_Acceptor_Count	5
11636816	Hydrogen_Bond_Donor_Count	1
165571	Undefined_Atom_Stereo_Count	0
9989	Hydrogen_Bond_Donor_Count	1
10285780	Isotope_Atom_Count	0
138128	XLogP3-AA	0.5
11535	Exact_Mass	54.0469501914
57357013	Hydrogen_Bond_Donor_Count	1
10192685	Undefined_Bond_Stereo_Count	0
11824	Mono_Isotopic_Weight	291.09675391
75318	Hydrogen_Bond_Donor_Count	1
9877608	Total_Formal_Charge	0
28503	XLogP3	3.9
9867	Undefined_Atom_Stereo_Count	0
86851	Non-hydrogen_Atom_Count	11
4739	Isotope_Atom_Count	0
208832	Hydrogen_Bond_Acceptor_Count	3
4217966	Covalent_Unit_Count	1
3497012	Mono_Isotopic_Weight	183.07696722
82412	Exact_Mass	186.08920892
1609	Isotope_Atom_Count	0
191014	Undefined_Bond_Stereo_Count	0
3116	Undefined_Atom_Stereo_Count	0
12260467	XLogP3-AA	1.3
5845	Exact_Mass	387.13675280
10479060	Structure_Complexity	709
9576891	XLogP3-AA	2.2
53237112	Molecular_Weight	404.5
3032915	Exact_Mass	212.10956770
69532978	Mono_Isotopic_Weight	115.063328530
10180181	Covalent_Unit_Count	1
170759	Undefined_Atom_Stereo_Count	0
3084447	Undefined_Atom_Stereo_Count	0
419293	Isotope_Atom_Count	0
10290754	Defined_Bond_Stereo_Count	0
83975	Exact_Mass	331.17835828
125286694	Mono_Isotopic_Weight	842.51400504
71773445	Exact_Mass	552.03040840
11541511	Rotatable_Bond_Count	6
719044	Mono_Isotopic_Weight	217.09635999
53815669	Hydrogen_Bond_Acceptor_Count	2
13808253	Covalent_Unit_Count	1
2909	Defined_Bond_Stereo_Count	0
24847884	Molecular_Weight	573.7
123519331	Hydrogen_Bond_Donor_Count	1
57406911	Non-hydrogen_Atom_Count	32
142552	Non-hydrogen_Atom_Count	8
2761815	XLogP3	0.1
122172945	Defined_Bond_Stereo_Count	1
145705672	Hydrogen_Bond_Donor_Count	4
3045407	Non-hydrogen_Atom_Count	42
1097	Undefined_Bond_Stereo_Count	4
12910381	Covalent_Unit_Count	1
9919170	Structure_Complexity	1380
201734	Undefined_Atom_Stereo_Count	0
157736	Exact_Mass	309.19400834
10886	TPSA	26.3
56283	Hydrogen_Bond_Acceptor_Count	7
283637	Molecular_Weight	110.15
7626	Undefined_Atom_Stereo_Count	0
6093241	TPSA	81.3
2163	Covalent_Unit_Count	1
23128	Structure_Complexity	115
70751	Hydrogen_Bond_Acceptor_Count	3
23077956	Defined_Bond_Stereo_Count	0
56149	TPSA	46.5
33775	Isotope_Atom_Count	0
77442653	Defined_Atom_Stereo_Count	0
444742	Rotatable_Bond_Count	25
14839575	Non-hydrogen_Atom_Count	17
4868	Defined_Bond_Stereo_Count	0
6953	Rotatable_Bond_Count	0
137553931	Covalent_Unit_Count	1
135988	Defined_Atom_Stereo_Count	0
22213349	Exact_Mass	102.079312947
9847836	Total_Formal_Charge	0
28315	Isotope_Atom_Count	0
21945716	Hydrogen_Bond_Acceptor_Count	1
221523	Defined_Bond_Stereo_Count	0
147614	XLogP3-AA	1.9
132596289	Total_Formal_Charge	0
656664	Mono_Isotopic_Weight	320.1291556
71115	Hydrogen_Bond_Acceptor_Count	2
4667	Undefined_Bond_Stereo_Count	1
2114	Rotatable_Bond_Count	2
23274077	XLogP3	1.6
32816	Defined_Atom_Stereo_Count	0
12642447	Hydrogen_Bond_Donor_Count	0
240796	Rotatable_Bond_Count	1
134715513	Undefined_Bond_Stereo_Count	0
60196393	Exact_Mass	263.08029903
87501539	Rotatable_Bond_Count	1
26440	Defined_Atom_Stereo_Count	0
13028868	Covalent_Unit_Count	1
24825271	Hydrogen_Bond_Acceptor_Count	6
9604654	XLogP3-AA	1.1
1033	Rotatable_Bond_Count	21
23676225	Tautomer_Count	2
544701	Molecular_Weight	100.16
142	Covalent_Unit_Count	1
4277	Covalent_Unit_Count	1
7904	Exact_Mass	86.036779430
24963252	Molecular_Weight	504.23
9183	Defined_Bond_Stereo_Count	0
18347297	Undefined_Atom_Stereo_Count	0
139771583	Non-hydrogen_Atom_Count	8
71457269	Hydrogen_Bond_Donor_Count	2
4619	Defined_Atom_Stereo_Count	0
11768551	TPSA	37.3
36688153	Isotope_Atom_Count	0
81416328	Molecular_Weight	114.19
24848788	Undefined_Bond_Stereo_Count	0
137642	XLogP3-AA	1
7055	Total_Formal_Charge	0
12732837	Hydrogen_Bond_Acceptor_Count	1
12468309	XLogP3-AA	0.8
5668	Tautomer_Count	1
84614	Exact_Mass	269.10519334
86956	Isotope_Atom_Count	0
9818540	TPSA	45.3
7019	Covalent_Unit_Count	1
6434144	Hydrogen_Bond_Acceptor_Count	8
6674	Covalent_Unit_Count	1
7844	Hydrogen_Bond_Acceptor_Count	0
57927934	Hydrogen_Bond_Donor_Count	2
23087	Covalent_Unit_Count	1
533909	Tautomer_Count	1
3890	Rotatable_Bond_Count	14
32940	XLogP3-AA	1.3
7133	TPSA	3.9
317852	Defined_Atom_Stereo_Count	0
15256327	Structure_Complexity	103
93923	Structure_Complexity	765
848667	Isotope_Atom_Count	0
10214	Hydrogen_Bond_Acceptor_Count	17
78276	Hydrogen_Bond_Donor_Count	0
75800	Defined_Atom_Stereo_Count	0
132327702	Non-hydrogen_Atom_Count	8
135749824	Undefined_Atom_Stereo_Count	0
97428	Covalent_Unit_Count	1
77507	Non-hydrogen_Atom_Count	15
37419	Hydrogen_Bond_Donor_Count	1
78414	Hydrogen_Bond_Donor_Count	0
45095	Structure_Complexity	367
73707684	Defined_Atom_Stereo_Count	0
28705	Undefined_Bond_Stereo_Count	0
72401	Non-hydrogen_Atom_Count	30
52038	Rotatable_Bond_Count	6
58265190	Exact_Mass	180.06338810
5463599	XLogP3-AA	3.5
17414	Structure_Complexity	415
6950274	Structure_Complexity	270
51668574	Hydrogen_Bond_Donor_Count	3
1163242	Non-hydrogen_Atom_Count	26
174111	Mono_Isotopic_Weight	194.940932
123588530	Undefined_Atom_Stereo_Count	0
5284649	Covalent_Unit_Count	1
1535935	Rotatable_Bond_Count	2
5282340	Defined_Bond_Stereo_Count	0
11062335	Total_Formal_Charge	0
80040	Covalent_Unit_Count	1
450840	Molecular_Weight	302.35
42471	Defined_Bond_Stereo_Count	0
26445	Isotope_Atom_Count	0
13451951	Hydrogen_Bond_Donor_Count	0
529031	Covalent_Unit_Count	1
71455485	Non-hydrogen_Atom_Count	35
22149470	Mono_Isotopic_Weight	100.100048391
94233	Defined_Atom_Stereo_Count	0
257156	Structure_Complexity	270
16048622	Undefined_Bond_Stereo_Count	0
14895678	Exact_Mass	75.068413911
20793292	Rotatable_Bond_Count	0
2762647	Total_Formal_Charge	0
26033	Hydrogen_Bond_Acceptor_Count	8
21887872	Undefined_Atom_Stereo_Count	0
1153	TPSA	83.6
135425186	Structure_Complexity	493
3294	Molecular_Weight	241.24
67125854	Molecular_Weight	115.13
104730	Defined_Atom_Stereo_Count	0
63047	Non-hydrogen_Atom_Count	34
53856650	Mono_Isotopic_Weight	110.109550447
141343693	Covalent_Unit_Count	1
83346	Hydrogen_Bond_Acceptor_Count	2
18323	Rotatable_Bond_Count	2
21872023	Molecular_Weight	443.0
5324278	Defined_Atom_Stereo_Count	0
70692444	Isotope_Atom_Count	0
184934	Non-hydrogen_Atom_Count	34
21896651	Hydrogen_Bond_Acceptor_Count	47
33311	Mono_Isotopic_Weight	297.15512091
46926350	Defined_Atom_Stereo_Count	1
5362118	Defined_Bond_Stereo_Count	0
9810709	Undefined_Bond_Stereo_Count	0
9934678	Non-hydrogen_Atom_Count	29
12969	Exact_Mass	84.093900383
54685047	Molecular_Weight	478.9
71651624	Exact_Mass	97.052763847
14866914	Non-hydrogen_Atom_Count	7
7142	XLogP3-AA	7.5
2734931	Molecular_Weight	156.06
38904	Undefined_Atom_Stereo_Count	0
12002774	Total_Formal_Charge	0
3047751	Mono_Isotopic_Weight	309.12257474
123335274	Defined_Bond_Stereo_Count	0
128907	Undefined_Atom_Stereo_Count	0
55289794	Rotatable_Bond_Count	2
23238195	Defined_Bond_Stereo_Count	0
13000	Tautomer_Count	1
527568	XLogP3-AA	2.5
12463	Total_Formal_Charge	0
16114800	Hydrogen_Bond_Donor_Count	4
11454	Defined_Bond_Stereo_Count	0
60054	Tautomer_Count	1
12180	Isotope_Atom_Count	0
24917008	Defined_Atom_Stereo_Count	4
65772	Undefined_Bond_Stereo_Count	0
27914	Molecular_Weight	196.04
152057	Hydrogen_Bond_Acceptor_Count	3
21958	Undefined_Atom_Stereo_Count	0
15881135	Covalent_Unit_Count	1
629965	Defined_Atom_Stereo_Count	0
16659841	Hydrogen_Bond_Acceptor_Count	8
82536	Defined_Atom_Stereo_Count	0
151473	Covalent_Unit_Count	1
71342	Rotatable_Bond_Count	5
13999819	Isotope_Atom_Count	0
23549397	Exact_Mass	114.104465066
444451	Exact_Mass	717.00999
57751150	Hydrogen_Bond_Acceptor_Count	3
318	Undefined_Bond_Stereo_Count	1
24802551	Undefined_Atom_Stereo_Count	1
117846599	Rotatable_Bond_Count	4
15811016	Structure_Complexity	53.3
6206	Total_Formal_Charge	0
1615208	Defined_Bond_Stereo_Count	0
137076	Molecular_Weight	109.17
7386	Rotatable_Bond_Count	0
52934127	Tautomer_Count	2
25030387	Undefined_Bond_Stereo_Count	0
593379	TPSA	92.8
8223	Total_Formal_Charge	0
87402170	Rotatable_Bond_Count	2
12285890	Undefined_Atom_Stereo_Count	1
20693488	Isotope_Atom_Count	0
5372600	Hydrogen_Bond_Acceptor_Count	2
74320	Rotatable_Bond_Count	2
26350	Undefined_Bond_Stereo_Count	0
6331	Exact_Mass	14.0327803
234	Total_Formal_Charge	0
9737	Defined_Atom_Stereo_Count	0
56734	Defined_Atom_Stereo_Count	0
636364	Exact_Mass	549.23159287
20585	TPSA	89.5
76223940	Undefined_Bond_Stereo_Count	0
17755052	Molecular_Weight	513.6
3763520	Rotatable_Bond_Count	3
289460	Defined_Bond_Stereo_Count	0
31416	Rotatable_Bond_Count	4
95309	Total_Formal_Charge	0
72327	Total_Formal_Charge	0
135539121	Mono_Isotopic_Weight	516.16787042
440707	Molecular_Weight	346.5
542420	Tautomer_Count	1
55515	Hydrogen_Bond_Donor_Count	0
53720955	Molecular_Weight	109.13
102239760	Structure_Complexity	1410
72073	Defined_Atom_Stereo_Count	0
11426929	Mono_Isotopic_Weight	311.16337692
220175	Non-hydrogen_Atom_Count	14
71307528	Non-hydrogen_Atom_Count	73
11957621	Structure_Complexity	130
13245	Total_Formal_Charge	0
6723	XLogP3-AA	0.1
91122567	TPSA	18.5
2145	XLogP3	1.2
18626415	Molecular_Weight	102.13
77881	Rotatable_Bond_Count	0
7750121	Non-hydrogen_Atom_Count	21
75059709	Isotope_Atom_Count	0
907991	Hydrogen_Bond_Acceptor_Count	5
54608115	Mono_Isotopic_Weight	2163.9515005
5160	XLogP3-AA	1.2
44556162	Exact_Mass	676.30972162
28780	Tautomer_Count	6
18801784	Isotope_Atom_Count	0
76030824	Defined_Atom_Stereo_Count	0
21791633	Covalent_Unit_Count	1
119086017	Total_Formal_Charge	0
6868	Exact_Mass	239.02522894
13531383	Hydrogen_Bond_Acceptor_Count	2
562176	Hydrogen_Bond_Donor_Count	0
9989264	Hydrogen_Bond_Acceptor_Count	1
129	Tautomer_Count	2
69332648	Exact_Mass	112.063662883
44571147	Isotope_Atom_Count	0
1712094	Defined_Atom_Stereo_Count	0
104967	Hydrogen_Bond_Acceptor_Count	0
87110828	Isotope_Atom_Count	0
54276448	XLogP3-AA	0.7
8711	Molecular_Weight	111.10
101176453	Total_Formal_Charge	0
57183917	Defined_Atom_Stereo_Count	0
27428	Non-hydrogen_Atom_Count	14
29498	Undefined_Bond_Stereo_Count	0
18408476	Covalent_Unit_Count	1
93154	Structure_Complexity	390
57572416	Undefined_Bond_Stereo_Count	0
9898439	Isotope_Atom_Count	0
153884978	XLogP3-AA	0.8
7122	Non-hydrogen_Atom_Count	13
5194	Exact_Mass	740.44994823
16258	Exact_Mass	163.026943022
4180	Defined_Atom_Stereo_Count	0
4949	Undefined_Atom_Stereo_Count	0
66683198	Molecular_Weight	341.8
8254	Exact_Mass	46.041864811
118574	Covalent_Unit_Count	1
124201874	Undefined_Bond_Stereo_Count	0
135814155	Undefined_Bond_Stereo_Count	0
163988282	Rotatable_Bond_Count	1
7466	Rotatable_Bond_Count	1
52141942	Isotope_Atom_Count	0
102515495	Hydrogen_Bond_Acceptor_Count	6
122121	Tautomer_Count	1
59502	Defined_Atom_Stereo_Count	0
10127622	Covalent_Unit_Count	1
14494974	Mono_Isotopic_Weight	100.052429494
25058411	Defined_Atom_Stereo_Count	6
26248	Hydrogen_Bond_Acceptor_Count	8
57780676	Defined_Bond_Stereo_Count	0
54708748	XLogP3-AA	3.1
726	Hydrogen_Bond_Donor_Count	9
88358812	Isotope_Atom_Count	0
70383887	Mono_Isotopic_Weight	110.073164938
22224160	Structure_Complexity	151
12634653	Hydrogen_Bond_Acceptor_Count	0
65763	Defined_Bond_Stereo_Count	0
4070	Structure_Complexity	66.6
28361	Total_Formal_Charge	0
1277665	Undefined_Bond_Stereo_Count	0
638066	Undefined_Atom_Stereo_Count	0
3704	Isotope_Atom_Count	0
6477715	Isotope_Atom_Count	0
18356755	Defined_Bond_Stereo_Count	0
283	Tautomer_Count	1
287064	Defined_Atom_Stereo_Count	0
52949466	Defined_Bond_Stereo_Count	0
102004607	Hydrogen_Bond_Donor_Count	17
186148	Hydrogen_Bond_Acceptor_Count	1
58473795	Undefined_Bond_Stereo_Count	0
69672	Defined_Bond_Stereo_Count	0
11339	Covalent_Unit_Count	1
53486446	Defined_Bond_Stereo_Count	2
87573795	Rotatable_Bond_Count	29
9823781	Defined_Bond_Stereo_Count	0
12009	TPSA	49.4
11641	Undefined_Bond_Stereo_Count	0
41381	Hydrogen_Bond_Donor_Count	0
12740455	Covalent_Unit_Count	1
20894	Mono_Isotopic_Weight	157.13274550
5281515	Non-hydrogen_Atom_Count	15
135430996	Defined_Bond_Stereo_Count	0
5361871	Defined_Atom_Stereo_Count	2
201618	Structure_Complexity	176
91490	Structure_Complexity	201
83967	Mono_Isotopic_Weight	312.07799279
9868219	Rotatable_Bond_Count	12
123468130	Defined_Atom_Stereo_Count	0
97050130	Covalent_Unit_Count	1
1201546	Undefined_Bond_Stereo_Count	0
99963	Non-hydrogen_Atom_Count	7
589287	Defined_Atom_Stereo_Count	0
443380	Mono_Isotopic_Weight	399.22570239
2723766	Undefined_Bond_Stereo_Count	0
135887820	Structure_Complexity	1730
449087	Rotatable_Bond_Count	4
121233058	Defined_Atom_Stereo_Count	0
70694228	Undefined_Atom_Stereo_Count	0
56835143	Undefined_Atom_Stereo_Count	1
350825	Undefined_Atom_Stereo_Count	0
148184759	XLogP3-AA	1.1
13612	Defined_Bond_Stereo_Count	0
36979	Undefined_Bond_Stereo_Count	0
54099616	Defined_Bond_Stereo_Count	0
56841910	Defined_Atom_Stereo_Count	1
17231	Total_Formal_Charge	0
13613	Hydrogen_Bond_Donor_Count	0
94037	Non-hydrogen_Atom_Count	25
9520	Undefined_Bond_Stereo_Count	0
9851505	XLogP3	1.7
12688299	Covalent_Unit_Count	1
18956015	Rotatable_Bond_Count	0
12850184	Molecular_Weight	426.34
20578853	Defined_Bond_Stereo_Count	0
139244568	Hydrogen_Bond_Donor_Count	1
3529	Molecular_Weight	670.9
73423	Hydrogen_Bond_Donor_Count	2
140672839	Structure_Complexity	853
57820	Tautomer_Count	3
24314	Covalent_Unit_Count	1
12313849	Mono_Isotopic_Weight	347.07937252
69454537	Hydrogen_Bond_Donor_Count	1
5283377	Structure_Complexity	204
6438712	XLogP3-AA	3
524647	Undefined_Atom_Stereo_Count	2
92222	Molecular_Weight	197.19
51039095	Mono_Isotopic_Weight	463.25833993
1437	Exact_Mass	322.25079494
9832383	XLogP3-AA	4.7
11840920	Isotope_Atom_Count	0
57511216	Covalent_Unit_Count	1
16682935	Mono_Isotopic_Weight	352.997587
21952893	TPSA	1
56682220	Non-hydrogen_Atom_Count	33
65072	Molecular_Weight	189.21
14063315	Undefined_Bond_Stereo_Count	0
85551668	Mono_Isotopic_Weight	117.042593085
170049	Hydrogen_Bond_Donor_Count	4
6858209	Molecular_Weight	770.5
406167	Total_Formal_Charge	0
156587369	Undefined_Bond_Stereo_Count	0
21585139	Covalent_Unit_Count	2
10017965	Covalent_Unit_Count	1
5284580	Covalent_Unit_Count	1
84151	Total_Formal_Charge	0
718862	Undefined_Bond_Stereo_Count	0
9909677	Undefined_Bond_Stereo_Count	0
137705114	Hydrogen_Bond_Acceptor_Count	5
131954782	Structure_Complexity	2640
20712539	Total_Formal_Charge	0
9396	Undefined_Bond_Stereo_Count	1
10724	Exact_Mass	146.073164938
2580	Rotatable_Bond_Count	6
15842094	XLogP3-AA	8
71455276	Hydrogen_Bond_Donor_Count	1
129806	Mono_Isotopic_Weight	481.16828496
74950937	Hydrogen_Bond_Donor_Count	6
74506	Structure_Complexity	235
135398731	Molecular_Weight	521.21
523251	Defined_Atom_Stereo_Count	0
137685	Hydrogen_Bond_Donor_Count	0
10305301	Molecular_Weight	677.7
6917874	Hydrogen_Bond_Acceptor_Count	17
42645244	Molecular_Weight	477.6
9975270	Isotope_Atom_Count	0
151039	Rotatable_Bond_Count	2
41625	Hydrogen_Bond_Acceptor_Count	4
514067	Non-hydrogen_Atom_Count	24
60196353	XLogP3-AA	5.1
123462301	TPSA	48
721456	Undefined_Bond_Stereo_Count	0
13530	Structure_Complexity	70.6
8217	Undefined_Bond_Stereo_Count	0
42552711	Mono_Isotopic_Weight	342.11621151
328	Isotope_Atom_Count	0
34055	Rotatable_Bond_Count	6
24847750	Rotatable_Bond_Count	1
95559	Molecular_Weight	114.14
10048368	Undefined_Atom_Stereo_Count	0
146159249	XLogP3-AA	4.1
22833307	Undefined_Atom_Stereo_Count	0
9809	Total_Formal_Charge	0
68595	Exact_Mass	933.56610018
53817503	XLogP3-AA	1.1
123195	Mono_Isotopic_Weight	30.021798072
254139	Undefined_Bond_Stereo_Count	0
141366	Structure_Complexity	166
11201358	Rotatable_Bond_Count	2
2724054	Non-hydrogen_Atom_Count	31
36188	Exact_Mass	325.880439
8062	Exact_Mass	80.037448136
37678	Molecular_Weight	350.5
4478	Isotope_Atom_Count	0
101100163	Exact_Mass	235.099714038
5172	Undefined_Bond_Stereo_Count	0
21061676	Undefined_Bond_Stereo_Count	0
45488111	Defined_Atom_Stereo_Count	0
54393307	Total_Formal_Charge	0
55255285	Undefined_Atom_Stereo_Count	1
59483380	Undefined_Atom_Stereo_Count	1
101554	Tautomer_Count	1
23151396	Molecular_Weight	100.08
123603692	Hydrogen_Bond_Acceptor_Count	1
446400	Structure_Complexity	604
84420187	Defined_Bond_Stereo_Count	0
21702776	Non-hydrogen_Atom_Count	8
60967	Exact_Mass	423.59541
549318	Hydrogen_Bond_Acceptor_Count	1
6332	Total_Formal_Charge	0
5256228	Undefined_Bond_Stereo_Count	0
360081	Isotope_Atom_Count	0
41465	Exact_Mass	256.240230259
15273920	Defined_Bond_Stereo_Count	0
220705	Undefined_Atom_Stereo_Count	0
133679779	Molecular_Weight	114.19
22603628	TPSA	63.3
71348	Mono_Isotopic_Weight	1155.48815915
15910	Isotope_Atom_Count	0
43853	Mono_Isotopic_Weight	303.97114494
18715492	Isotope_Atom_Count	0
9860424	Structure_Complexity	378
66624283	Undefined_Atom_Stereo_Count	0
6546	Defined_Bond_Stereo_Count	0
60044692	Covalent_Unit_Count	1
7121	Molecular_Weight	182.17
24879665	Defined_Atom_Stereo_Count	8
44120140	TPSA	113
70995	Tautomer_Count	1
170563	Molecular_Weight	460.7
3795	Structure_Complexity	390
8763	Tautomer_Count	1
105024	Exact_Mass	196.99550
11539751	Covalent_Unit_Count	1
10456134	TPSA	101
199480	TPSA	55.8
368	Structure_Complexity	58.4
23671430	Defined_Bond_Stereo_Count	0
29971	TPSA	41.1
91414	Hydrogen_Bond_Acceptor_Count	0
10407447	TPSA	12.5
71362816	Undefined_Atom_Stereo_Count	1
59540609	Rotatable_Bond_Count	2
6540478	Hydrogen_Bond_Acceptor_Count	4
44531649	Covalent_Unit_Count	1
79583	Exact_Mass	209.03242232
53627566	Hydrogen_Bond_Donor_Count	0
135398513	Exact_Mass	225.08618923
21942072	Mono_Isotopic_Weight	98.084398327
13374320	Undefined_Atom_Stereo_Count	1
23665765	Defined_Bond_Stereo_Count	0
41779	Isotope_Atom_Count	0
66986	Molecular_Weight	246.81
56955954	Defined_Atom_Stereo_Count	0
13783	Tautomer_Count	1
81432	XLogP3-AA	2.5
55624	Total_Formal_Charge	0
10391	Non-hydrogen_Atom_Count	13
111804	Rotatable_Bond_Count	4
40539	Non-hydrogen_Atom_Count	13
135398679	Defined_Bond_Stereo_Count	0
10220851	Non-hydrogen_Atom_Count	18
59295939	Defined_Atom_Stereo_Count	1
54602348	Undefined_Atom_Stereo_Count	0
4874	Hydrogen_Bond_Acceptor_Count	5
7792	Mono_Isotopic_Weight	158.167065321
12745213	Defined_Bond_Stereo_Count	0
439517	Mono_Isotopic_Weight	267.12190603
16220172	Undefined_Atom_Stereo_Count	0
23652731	TPSA	71
12673086	Defined_Atom_Stereo_Count	0
69632	Undefined_Bond_Stereo_Count	0
16768425	Hydrogen_Bond_Donor_Count	1
27655	Exact_Mass	151.9876363
15660	Mono_Isotopic_Weight	210.209598838
81110	Hydrogen_Bond_Donor_Count	0
22054617	Molecular_Weight	169.18
13349550	Undefined_Atom_Stereo_Count	4
78002	Isotope_Atom_Count	0
1937	Rotatable_Bond_Count	4
524217	Undefined_Bond_Stereo_Count	0
19845539	Rotatable_Bond_Count	0
49865784	Structure_Complexity	451
101771	Exact_Mass	334.25079494
52943373	Undefined_Atom_Stereo_Count	0
27944	Defined_Atom_Stereo_Count	1
23625795	Molecular_Weight	588.2
7131	Isotope_Atom_Count	0
6450232	Isotope_Atom_Count	0
4952	Tautomer_Count	25
15208461	Covalent_Unit_Count	1
67564795	Defined_Atom_Stereo_Count	0
13244249	Isotope_Atom_Count	0
11534864	Defined_Bond_Stereo_Count	1
105426931	Rotatable_Bond_Count	0
107905	Defined_Atom_Stereo_Count	2
46783786	Mono_Isotopic_Weight	458.0638210
123867503	TPSA	0
8606	Undefined_Atom_Stereo_Count	2
98790	Hydrogen_Bond_Acceptor_Count	1
164075219	Undefined_Atom_Stereo_Count	2
22203	Non-hydrogen_Atom_Count	24
140349	Undefined_Atom_Stereo_Count	0
10405997	Covalent_Unit_Count	1
10161381	Defined_Bond_Stereo_Count	0
46193082	Hydrogen_Bond_Acceptor_Count	0
8028	Undefined_Atom_Stereo_Count	0
1271	TPSA	101
85687	Defined_Bond_Stereo_Count	0
121275199	Defined_Bond_Stereo_Count	0
71460926	Isotope_Atom_Count	0
403648	Molecular_Weight	384.7
11261	TPSA	20.2
134587348	Defined_Atom_Stereo_Count	1
140996483	Structure_Complexity	99.9
123676251	Total_Formal_Charge	0
20728717	Defined_Bond_Stereo_Count	0
10455790	Hydrogen_Bond_Acceptor_Count	4
150736	Undefined_Bond_Stereo_Count	0
9840851	Molecular_Weight	339.4
12323	XLogP3-AA	2
1550470	Isotope_Atom_Count	0
6145	Total_Formal_Charge	0
162501	Rotatable_Bond_Count	4
13795006	Undefined_Bond_Stereo_Count	0
79178156	TPSA	37.3
3085326	Undefined_Bond_Stereo_Count	0
115011064	Exact_Mass	114.068079557
11423561	Molecular_Weight	97.12
39176	Mono_Isotopic_Weight	114.104465066
5288217	Hydrogen_Bond_Donor_Count	4
498650	TPSA	32.6
89374440	Isotope_Atom_Count	0
20838642	Isotope_Atom_Count	0
22833389	Non-hydrogen_Atom_Count	30
8377	Non-hydrogen_Atom_Count	16
644020	Non-hydrogen_Atom_Count	17
69052440	Total_Formal_Charge	0
75645	Undefined_Atom_Stereo_Count	0
77807	Non-hydrogen_Atom_Count	16
449093	Undefined_Bond_Stereo_Count	0
637578	Rotatable_Bond_Count	3
11569	Undefined_Atom_Stereo_Count	0
135398748	Undefined_Bond_Stereo_Count	0
71835	Molecular_Weight	263.12
57217341	Total_Formal_Charge	0
12701402	Undefined_Atom_Stereo_Count	2
6927	Defined_Atom_Stereo_Count	0
8323	Mono_Isotopic_Weight	239.058243149
91418	Isotope_Atom_Count	0
16732312	Undefined_Atom_Stereo_Count	0
7904	Structure_Complexity	65.9
6033664	TPSA	59.3
9818306	XLogP3	2.8
102171995	Structure_Complexity	385
146171122	Rotatable_Bond_Count	4
314	TPSA	175
24848360	XLogP3	5.2
50587	Rotatable_Bond_Count	22
66323	Molecular_Weight	199.59
10176672	Total_Formal_Charge	0
7571	Covalent_Unit_Count	1
198498	Defined_Bond_Stereo_Count	0
15567528	Hydrogen_Bond_Donor_Count	2
155144825	Covalent_Unit_Count	1
6603828	Non-hydrogen_Atom_Count	26
6158	Covalent_Unit_Count	1
21201338	Defined_Bond_Stereo_Count	0
10308091	Defined_Bond_Stereo_Count	0
84623	Hydrogen_Bond_Donor_Count	0
87703	Undefined_Atom_Stereo_Count	0
443874	Tautomer_Count	3
71301276	Tautomer_Count	1
71761627	Defined_Atom_Stereo_Count	0
73433376	Isotope_Atom_Count	0
6097185	Tautomer_Count	1
44419240	Defined_Atom_Stereo_Count	1
72941505	Hydrogen_Bond_Donor_Count	11
135926580	Covalent_Unit_Count	1
23987	Undefined_Bond_Stereo_Count	0
5727	Molecular_Weight	136.3
54605501	TPSA	138
54071	Undefined_Bond_Stereo_Count	0
10809678	TPSA	41.6
22084	Hydrogen_Bond_Donor_Count	0
16097	Undefined_Bond_Stereo_Count	0
159832	Undefined_Atom_Stereo_Count	0
4510	Molecular_Weight	227.09
40666	Tautomer_Count	1
57547	Tautomer_Count	1
13721	Undefined_Bond_Stereo_Count	0
13719374	TPSA	20.2
21608699	Molecular_Weight	290.4
11643997	Total_Formal_Charge	0
2691	Rotatable_Bond_Count	10
67978393	Total_Formal_Charge	0
8069	Defined_Atom_Stereo_Count	0
1674	XLogP3	6.4
67979	Defined_Atom_Stereo_Count	0
21611	Defined_Atom_Stereo_Count	0
116021439	Non-hydrogen_Atom_Count	8
31215	Exact_Mass	166.07588133
19065601	Molecular_Weight	248.17
10560335	Structure_Complexity	152
4759	Undefined_Atom_Stereo_Count	4
7067872	XLogP3	0.9
91936940	Undefined_Atom_Stereo_Count	0
12986478	Exact_Mass	115.063328530
5288615	XLogP3-AA	1.6
3093785	Structure_Complexity	217
3354	Non-hydrogen_Atom_Count	29
2520	Rotatable_Bond_Count	13
103023	TPSA	90.2
24229456	Defined_Atom_Stereo_Count	0
135779804	Hydrogen_Bond_Acceptor_Count	5
43536	Exact_Mass	354.230728204
406793	Hydrogen_Bond_Donor_Count	1
82789	Total_Formal_Charge	0
6100	Undefined_Atom_Stereo_Count	0
146743267	Defined_Atom_Stereo_Count	0
14027412	Molecular_Weight	113.16
4638	Undefined_Bond_Stereo_Count	1
52021	Exact_Mass	409.2172423
14264246	Isotope_Atom_Count	0
26007	Defined_Atom_Stereo_Count	0
10654192	TPSA	33.4
6451477	Tautomer_Count	1
21991095	Covalent_Unit_Count	1
18868	Hydrogen_Bond_Donor_Count	1
7460	Rotatable_Bond_Count	1
28213	Undefined_Atom_Stereo_Count	0
454647	Total_Formal_Charge	0
517313	Total_Formal_Charge	0
2087	Total_Formal_Charge	0
11543205	Total_Formal_Charge	0
141112	Covalent_Unit_Count	1
5311221	Non-hydrogen_Atom_Count	31
13223	Covalent_Unit_Count	1
68476	Mono_Isotopic_Weight	144.068748264
10061651	Total_Formal_Charge	0
10492	Rotatable_Bond_Count	0
882889	XLogP3-AA	5
137735	Undefined_Atom_Stereo_Count	0
809622	Undefined_Bond_Stereo_Count	0
11326928	Defined_Bond_Stereo_Count	0
141037332	Isotope_Atom_Count	0
7897	Exact_Mass	88.052429494
216262	Hydrogen_Bond_Donor_Count	5
31217	Undefined_Bond_Stereo_Count	0
37918	Rotatable_Bond_Count	4
77117	Mono_Isotopic_Weight	153.99446384
5281437	Tautomer_Count	1
143342009	Structure_Complexity	115
5486998	Tautomer_Count	3
86356	Isotope_Atom_Count	0
79005	Hydrogen_Bond_Acceptor_Count	1
129073603	Undefined_Bond_Stereo_Count	0
42768	Hydrogen_Bond_Acceptor_Count	9
134129849	XLogP3-AA	1.8
3042	Molecular_Weight	309.5
905454	Rotatable_Bond_Count	4
24436	Tautomer_Count	1
103439594	Hydrogen_Bond_Acceptor_Count	2
67439664	Undefined_Atom_Stereo_Count	0
12490222	Undefined_Atom_Stereo_Count	0
60196404	Exact_Mass	636.240074
5815211	Undefined_Bond_Stereo_Count	0
25164108	Isotope_Atom_Count	0
47576	Total_Formal_Charge	0
33733	Covalent_Unit_Count	1
71309128	Mono_Isotopic_Weight	186.08351711
7751	Hydrogen_Bond_Acceptor_Count	2
44412343	Covalent_Unit_Count	1
3084447	Structure_Complexity	249
64294	Covalent_Unit_Count	1
9945189	Molecular_Weight	326.34
444215	Covalent_Unit_Count	1
122672078	Mono_Isotopic_Weight	112.088815002
67350	Structure_Complexity	338
157820065	Covalent_Unit_Count	1
84811	Non-hydrogen_Atom_Count	14
859174	Rotatable_Bond_Count	4
17318	Structure_Complexity	229
1546	TPSA	119
95705	Undefined_Bond_Stereo_Count	0
20219	Rotatable_Bond_Count	9
5169	Non-hydrogen_Atom_Count	25
316975	Covalent_Unit_Count	1
12654348	Mono_Isotopic_Weight	113.058911855
36573	Isotope_Atom_Count	0
21630	Covalent_Unit_Count	1
12668	Structure_Complexity	121
53311	Defined_Atom_Stereo_Count	0
57507663	Rotatable_Bond_Count	0
10820489	Hydrogen_Bond_Donor_Count	1
58513815	Defined_Atom_Stereo_Count	0
24825271	Hydrogen_Bond_Donor_Count	1
137018	TPSA	20.2
124014051	Mono_Isotopic_Weight	113.084063974
9806190	Covalent_Unit_Count	1
10308720	TPSA	89.6
6877	Defined_Atom_Stereo_Count	0
3636092	Hydrogen_Bond_Acceptor_Count	3
7855	Tautomer_Count	1
55445	Structure_Complexity	207
12003287	TPSA	110
67422305	TPSA	12
11858	Undefined_Bond_Stereo_Count	0
76225552	Hydrogen_Bond_Acceptor_Count	2
94330	Covalent_Unit_Count	1
7048538	Exact_Mass	299.201105100
62572	Rotatable_Bond_Count	4
6144	Rotatable_Bond_Count	7
9961	Mono_Isotopic_Weight	124.03358575
21989049	Hydrogen_Bond_Donor_Count	2
12200728	Undefined_Atom_Stereo_Count	0
18941761	Molecular_Weight	96.13
8878	Structure_Complexity	130
14305	TPSA	20.2
12705073	Undefined_Bond_Stereo_Count	0
10181729	Undefined_Bond_Stereo_Count	0
68374	Defined_Atom_Stereo_Count	0
6409631	Covalent_Unit_Count	1
9549284	Rotatable_Bond_Count	3
53364498	Undefined_Bond_Stereo_Count	0
181134	Hydrogen_Bond_Donor_Count	0
139502	Structure_Complexity	128
91100506	Non-hydrogen_Atom_Count	7
11241863	Undefined_Bond_Stereo_Count	0
46934729	Hydrogen_Bond_Acceptor_Count	2
16115747	Rotatable_Bond_Count	6
54682458	Structure_Complexity	944
54288820	TPSA	57.5
31315	Covalent_Unit_Count	1
53394037	XLogP3-AA	2.3
66599893	Mono_Isotopic_Weight	453.20524173
5201	Defined_Atom_Stereo_Count	0
35455	Undefined_Bond_Stereo_Count	0
10868	Non-hydrogen_Atom_Count	15
17884	XLogP3-AA	3.4
6334	Hydrogen_Bond_Donor_Count	0
82111162	TPSA	23.2
7844	Molecular_Weight	56.11
11407637	XLogP3-AA	2.4
10307849	Defined_Atom_Stereo_Count	0
15633846	Undefined_Atom_Stereo_Count	1
76223588	Total_Formal_Charge	0
44395089	Exact_Mass	597.30635275
53466	Rotatable_Bond_Count	4
89216	Defined_Atom_Stereo_Count	0
11561779	Rotatable_Bond_Count	9
11704019	TPSA	59.4
16217605	Defined_Bond_Stereo_Count	0
25199890	Hydrogen_Bond_Acceptor_Count	14
9793848	Rotatable_Bond_Count	3
15541506	Undefined_Atom_Stereo_Count	0
1069189	Defined_Bond_Stereo_Count	0
96302	Covalent_Unit_Count	1
52948200	Defined_Atom_Stereo_Count	1
95209	Exact_Mass	181.05613515
139084136	Total_Formal_Charge	0
102492967	Defined_Atom_Stereo_Count	0
135191	Defined_Bond_Stereo_Count	0
10357919	Molecular_Weight	308.4
58376271	Defined_Atom_Stereo_Count	0
74278	Defined_Atom_Stereo_Count	0
11482181	Non-hydrogen_Atom_Count	19
69705	Isotope_Atom_Count	0
5755	Hydrogen_Bond_Donor_Count	3
5440	Rotatable_Bond_Count	6
49028	Structure_Complexity	294
567600	Defined_Atom_Stereo_Count	0
117852135	Covalent_Unit_Count	1
57328384	Isotope_Atom_Count	0
44392161	Mono_Isotopic_Weight	451.262362685
15034633	Covalent_Unit_Count	1
11675388	Structure_Complexity	518
2733708	Defined_Bond_Stereo_Count	0
75018	Undefined_Bond_Stereo_Count	0
11423563	Non-hydrogen_Atom_Count	7
11598	Total_Formal_Charge	0
54260	Hydrogen_Bond_Acceptor_Count	2
250716	Rotatable_Bond_Count	2
96457	Isotope_Atom_Count	0
5281544	Total_Formal_Charge	0
12676503	Hydrogen_Bond_Donor_Count	0
122411051	Rotatable_Bond_Count	12
21549213	Non-hydrogen_Atom_Count	7
355	Covalent_Unit_Count	1
13244862	Hydrogen_Bond_Acceptor_Count	0
19897050	Exact_Mass	114.068079557
14270	Total_Formal_Charge	0
10094429	Defined_Bond_Stereo_Count	0
159157	Exact_Mass	208.04054465
20228546	Total_Formal_Charge	0
138673	Rotatable_Bond_Count	3
11632113	Hydrogen_Bond_Acceptor_Count	7
102752	Undefined_Atom_Stereo_Count	1
68260833	Mono_Isotopic_Weight	112.088815002
114681	Rotatable_Bond_Count	1
117291	TPSA	52.6
145984	Exact_Mass	228.07462149
3158	Defined_Atom_Stereo_Count	0
72078	Defined_Atom_Stereo_Count	7
20725980	Rotatable_Bond_Count	26
57395978	Defined_Bond_Stereo_Count	0
85945	Non-hydrogen_Atom_Count	11
68023	Rotatable_Bond_Count	1
10723	Isotope_Atom_Count	0
5281800	Covalent_Unit_Count	1
12542141	Defined_Atom_Stereo_Count	0
13682918	Covalent_Unit_Count	1
16048613	Hydrogen_Bond_Donor_Count	3
18952630	Defined_Bond_Stereo_Count	0
5280784	Isotope_Atom_Count	0
3034658	Rotatable_Bond_Count	1
5284448	XLogP3-AA	5.3
76127	Mono_Isotopic_Weight	226.01350
137829	Isotope_Atom_Count	0
7130	Defined_Atom_Stereo_Count	0
85456	Structure_Complexity	422
9351	Exact_Mass	196.0515740
9281	Non-hydrogen_Atom_Count	58
70695758	Hydrogen_Bond_Donor_Count	2
11394	Defined_Atom_Stereo_Count	0
24917008	Exact_Mass	290.23313350
88424	Hydrogen_Bond_Donor_Count	0
16240279	Undefined_Atom_Stereo_Count	0
91411400	TPSA	59.2
4369188	Covalent_Unit_Count	1
138680	Undefined_Bond_Stereo_Count	0
54092188	Isotope_Atom_Count	0
2916	Total_Formal_Charge	0
16129670	Rotatable_Bond_Count	132
10336	Rotatable_Bond_Count	1
3730	Structure_Complexity	653
75227	Defined_Atom_Stereo_Count	0
138319323	Structure_Complexity	756
6688	Undefined_Bond_Stereo_Count	0
77441779	Undefined_Atom_Stereo_Count	2
65182	Total_Formal_Charge	0
9754	Isotope_Atom_Count	0
21275073	Mono_Isotopic_Weight	80.026214747
196396	Mono_Isotopic_Weight	538.1765170
60199634	TPSA	109
3742	Rotatable_Bond_Count	10
19382908	Rotatable_Bond_Count	2
163838	Tautomer_Count	3
89748954	Molecular_Weight	114.19
72064	XLogP3-AA	3.5
23674215	Defined_Atom_Stereo_Count	0
256019	Hydrogen_Bond_Acceptor_Count	4
13917884	Mono_Isotopic_Weight	101.047678466
46943432	XLogP3-AA	2.9
135413525	Non-hydrogen_Atom_Count	18
394156	Hydrogen_Bond_Donor_Count	1
19434657	Hydrogen_Bond_Acceptor_Count	1
70480850	Non-hydrogen_Atom_Count	8
76	Mono_Isotopic_Weight	288.208930132
18998026	Structure_Complexity	66.6
58806244	Isotope_Atom_Count	0
56623654	Exact_Mass	112.063662883
810	Structure_Complexity	1450
6016	Covalent_Unit_Count	1
36933	Structure_Complexity	320
441383	Rotatable_Bond_Count	8
9895	Rotatable_Bond_Count	1
635186	Undefined_Bond_Stereo_Count	0
156588466	Molecular_Weight	709.3
133967	Tautomer_Count	2
102600809	Hydrogen_Bond_Acceptor_Count	10
659024	Undefined_Atom_Stereo_Count	1
12304613	Structure_Complexity	207
86574136	Isotope_Atom_Count	0
88603	Rotatable_Bond_Count	7
12285890	Isotope_Atom_Count	1
135398561	Non-hydrogen_Atom_Count	33
7313	Hydrogen_Bond_Acceptor_Count	2
51299	Defined_Atom_Stereo_Count	0
11966129	Exact_Mass	943.16255437
13925600	Defined_Bond_Stereo_Count	0
11594	Mono_Isotopic_Weight	114.140850574
5478986	Covalent_Unit_Count	1
8437	Covalent_Unit_Count	1
3337411	Defined_Atom_Stereo_Count	0
154104	Defined_Atom_Stereo_Count	1
41331	Mono_Isotopic_Weight	144.04225873
102491	Rotatable_Bond_Count	6
122174042	Mono_Isotopic_Weight	827.46672049
53731118	Hydrogen_Bond_Acceptor_Count	1
30199	Covalent_Unit_Count	1
57734486	Non-hydrogen_Atom_Count	24
101316975	Structure_Complexity	1070
57782	Undefined_Bond_Stereo_Count	0
56962313	Non-hydrogen_Atom_Count	33
62784	Hydrogen_Bond_Acceptor_Count	4
69088	Structure_Complexity	232
736530	Hydrogen_Bond_Donor_Count	0
9808654	Structure_Complexity	783
5282219	Undefined_Bond_Stereo_Count	0
25042	Covalent_Unit_Count	1
9798547	Structure_Complexity	482
134735	XLogP3	2.1
449069	Molecular_Weight	242.32
721	Covalent_Unit_Count	1
11979956	TPSA	719
6438151	Undefined_Atom_Stereo_Count	0
86287524	Covalent_Unit_Count	1
156963344	Hydrogen_Bond_Acceptor_Count	6
3388710	Isotope_Atom_Count	0
46783864	Hydrogen_Bond_Acceptor_Count	4
124635203	TPSA	190
65535	Covalent_Unit_Count	1
418296	Exact_Mass	831.112418
10442	Non-hydrogen_Atom_Count	5
21675991	Defined_Atom_Stereo_Count	0
8033	Exact_Mass	146.130679813
65840	Structure_Complexity	82.7
24946104	Defined_Bond_Stereo_Count	0
69318	TPSA	35.8
23989	Exact_Mass	238.05079
6328648	Covalent_Unit_Count	1
161930	Undefined_Bond_Stereo_Count	0
20453897	Undefined_Bond_Stereo_Count	0
16051696	Molecular_Weight	393.5
4829	Mono_Isotopic_Weight	356.11946368
53346577	Rotatable_Bond_Count	2
447407	Exact_Mass	228.11100700
54753	Defined_Bond_Stereo_Count	0
395450	Rotatable_Bond_Count	5
458096	Isotope_Atom_Count	0
163714395	Defined_Bond_Stereo_Count	0
303892	Non-hydrogen_Atom_Count	18
4712993	Exact_Mass	330.05282342
533930	Defined_Atom_Stereo_Count	0
60021	Hydrogen_Bond_Acceptor_Count	9
114416774	Mono_Isotopic_Weight	108.068748264
135398570	Defined_Bond_Stereo_Count	0
46239	Molecular_Weight	275.77
56036	Hydrogen_Bond_Acceptor_Count	4
549482	Defined_Atom_Stereo_Count	0
78802	Defined_Bond_Stereo_Count	0
14852098	Total_Formal_Charge	0
41774	Mono_Isotopic_Weight	645.24801352
160435	Undefined_Bond_Stereo_Count	0
8602	Molecular_Weight	211.64
3294	Exact_Mass	241.07389321
12	Defined_Bond_Stereo_Count	0
7245	Exact_Mass	128.0028925
6230	Defined_Atom_Stereo_Count	6
56436	Rotatable_Bond_Count	5
7098617	Mono_Isotopic_Weight	342.11621151
31255	Covalent_Unit_Count	2
16049087	Hydrogen_Bond_Acceptor_Count	7
11655511	Undefined_Atom_Stereo_Count	0
59665407	Undefined_Bond_Stereo_Count	0
9847219	Structure_Complexity	727
2734672	Rotatable_Bond_Count	1
445715	Isotope_Atom_Count	0
66192	Total_Formal_Charge	0
118052411	Hydrogen_Bond_Donor_Count	8
10618	Tautomer_Count	1
71433133	Molecular_Weight	111.14
71345	Structure_Complexity	446
13783	TPSA	127
4927	Covalent_Unit_Count	1
65731	Structure_Complexity	405
156616838	Exact_Mass	342.11621151
75785	Exact_Mass	193.110278721
9290	Hydrogen_Bond_Donor_Count	10
152199271	Hydrogen_Bond_Donor_Count	0
547935	Mono_Isotopic_Weight	117.078978594
10698	Isotope_Atom_Count	0
12991	Exact_Mass	70.041864811
25271887	Isotope_Atom_Count	0
8883	Hydrogen_Bond_Donor_Count	2
51041	Undefined_Bond_Stereo_Count	0
20644244	Hydrogen_Bond_Acceptor_Count	2
14639247	Undefined_Atom_Stereo_Count	1
10434	Non-hydrogen_Atom_Count	8
14195541	TPSA	20.2
16449	TPSA	0
42239	Covalent_Unit_Count	1
58506875	Isotope_Atom_Count	0
37467	Non-hydrogen_Atom_Count	18
38895	Molecular_Weight	636.9
45806	Total_Formal_Charge	2
124708040	Rotatable_Bond_Count	4
149164152	Isotope_Atom_Count	0
38853	Undefined_Atom_Stereo_Count	0
343119	Hydrogen_Bond_Acceptor_Count	1
34367	Hydrogen_Bond_Acceptor_Count	2
4041	Defined_Atom_Stereo_Count	0
21353681	Isotope_Atom_Count	0
71587119	Hydrogen_Bond_Acceptor_Count	21
4101	Mono_Isotopic_Weight	140.106196400
8783	Undefined_Bond_Stereo_Count	0
5175	Covalent_Unit_Count	1
54014389	Mono_Isotopic_Weight	92.037448136
53345582	TPSA	69.6
5276520	Total_Formal_Charge	0
136502787	Structure_Complexity	107
508194	Structure_Complexity	1090
57461895	Covalent_Unit_Count	1
148673	Hydrogen_Bond_Acceptor_Count	6
124809078	Isotope_Atom_Count	0
153996	Non-hydrogen_Atom_Count	44
86220885	Structure_Complexity	24.8
4353	Isotope_Atom_Count	0
61753	Undefined_Atom_Stereo_Count	0
69452237	Isotope_Atom_Count	0
5953	Hydrogen_Bond_Acceptor_Count	4
64710	Defined_Atom_Stereo_Count	9
961	Non-hydrogen_Atom_Count	1
2129	Hydrogen_Bond_Donor_Count	2
14865900	Total_Formal_Charge	0
548787	Structure_Complexity	127
140473289	Defined_Atom_Stereo_Count	12
5666	Tautomer_Count	1
62706165	XLogP3-AA	3.7
484	Rotatable_Bond_Count	0
3505109	TPSA	86.3
144416139	Rotatable_Bond_Count	1
54587227	Isotope_Atom_Count	0
182092	Structure_Complexity	136
144404363	Hydrogen_Bond_Acceptor_Count	2
626732	Defined_Atom_Stereo_Count	0
122173791	Total_Formal_Charge	1
9255	XLogP3	0.1
165363475	Defined_Atom_Stereo_Count	8
122672078	Hydrogen_Bond_Acceptor_Count	1
320930	Structure_Complexity	444
51644315	Hydrogen_Bond_Donor_Count	1
64154	Isotope_Atom_Count	0
15652148	Molecular_Weight	125.13
7331	Mono_Isotopic_Weight	272.07970687
9936727	Exact_Mass	527.27304650
54682507	Exact_Mass	324.09977361
20912	Mono_Isotopic_Weight	81.057849228
441032	Defined_Atom_Stereo_Count	4
130642949	Undefined_Atom_Stereo_Count	1
6367080	Total_Formal_Charge	1
1006	Covalent_Unit_Count	1
250096	Covalent_Unit_Count	1
68023775	Hydrogen_Bond_Acceptor_Count	1
1549517	Hydrogen_Bond_Acceptor_Count	1
616573	Non-hydrogen_Atom_Count	18
299	TPSA	17.1
26903	Covalent_Unit_Count	1
80642	Undefined_Atom_Stereo_Count	0
56327	Covalent_Unit_Count	1
388029	Defined_Bond_Stereo_Count	0
85705001	Defined_Atom_Stereo_Count	0
4745	Structure_Complexity	388
15213038	Non-hydrogen_Atom_Count	6
53481477	Defined_Atom_Stereo_Count	2
6436140	Mono_Isotopic_Weight	516.04095583
72930	XLogP3	1.5
13019068	Non-hydrogen_Atom_Count	30
751505	Defined_Atom_Stereo_Count	1
10387	Hydrogen_Bond_Acceptor_Count	2
537344	Defined_Atom_Stereo_Count	0
444037	Exact_Mass	836.52456972
8124	Covalent_Unit_Count	1
21399335	Hydrogen_Bond_Donor_Count	1
2734	Exact_Mass	184.9879707
95578	Non-hydrogen_Atom_Count	10
9862	Rotatable_Bond_Count	3
135977933	Exact_Mass	280.001424
90909703	Undefined_Bond_Stereo_Count	2
62485	Undefined_Atom_Stereo_Count	0
2303	Undefined_Atom_Stereo_Count	1
762556	Defined_Bond_Stereo_Count	0
24229456	Mono_Isotopic_Weight	108.032362755
118023034	Total_Formal_Charge	0
17231	XLogP3	5
45051637	Rotatable_Bond_Count	0
16124688	Rotatable_Bond_Count	1
718	Undefined_Atom_Stereo_Count	4
6165447	Mono_Isotopic_Weight	226.03381930
62334	Molecular_Weight	198.30
14852454	Covalent_Unit_Count	1
16043	Mono_Isotopic_Weight	166.099379685
92253	Non-hydrogen_Atom_Count	21
5150303	Isotope_Atom_Count	0
58737	XLogP3-AA	4.9
58160574	Rotatable_Bond_Count	6
60613	Hydrogen_Bond_Donor_Count	4
15072744	XLogP3-AA	3
159027	Hydrogen_Bond_Acceptor_Count	1
696858	Total_Formal_Charge	0
85573568	Isotope_Atom_Count	0
93375	Hydrogen_Bond_Acceptor_Count	1
241027	Molecular_Weight	139.19
14546681	Undefined_Bond_Stereo_Count	0
13083763	Covalent_Unit_Count	1
54704426	Non-hydrogen_Atom_Count	33
16682834	Covalent_Unit_Count	1
78014	Mono_Isotopic_Weight	109.063997236
5460161	Molecular_Weight	89.07
63420	Hydrogen_Bond_Acceptor_Count	3
73313	Mono_Isotopic_Weight	184.04840674
16133899	Molecular_Weight	6094
11840951	Hydrogen_Bond_Acceptor_Count	5
3158	Hydrogen_Bond_Acceptor_Count	2
17895808	XLogP3-AA	0.3
6435507	Isotope_Atom_Count	0
197855	TPSA	151
123752006	Mono_Isotopic_Weight	108.093900383
574037	Undefined_Atom_Stereo_Count	0
12150354	Undefined_Bond_Stereo_Count	0
6426924	Exact_Mass	913.51875607
123239	Isotope_Atom_Count	0
68714	Defined_Bond_Stereo_Count	0
163501159	Covalent_Unit_Count	1
123413	Defined_Bond_Stereo_Count	0
220705	Isotope_Atom_Count	0
12270430	Hydrogen_Bond_Donor_Count	0
222199	Mono_Isotopic_Weight	200.10485899
129654479	Hydrogen_Bond_Acceptor_Count	2
91693	Molecular_Weight	284.18
22812306	Defined_Bond_Stereo_Count	0
9577986	Mono_Isotopic_Weight	420.20088463
107758	Hydrogen_Bond_Acceptor_Count	18
9922187	Exact_Mass	295.168462302
158849	Molecular_Weight	1028.8
6335436	Undefined_Atom_Stereo_Count	0
67488	Non-hydrogen_Atom_Count	10
9951932	Total_Formal_Charge	0
7098663	Non-hydrogen_Atom_Count	12
3081358	Total_Formal_Charge	0
192630	Undefined_Bond_Stereo_Count	0
139595130	Hydrogen_Bond_Donor_Count	11
122376379	XLogP3-AA	6.3
58411	Covalent_Unit_Count	2
23667657	Exact_Mass	435.9556460
44475990	Covalent_Unit_Count	1
22286946	Undefined_Atom_Stereo_Count	1
759	Undefined_Atom_Stereo_Count	21
97860	Total_Formal_Charge	0
534959	Isotope_Atom_Count	0
23978	Mono_Isotopic_Weight	62.929597
281995	Defined_Bond_Stereo_Count	0
49865493	Exact_Mass	305.116426730
71777705	Defined_Atom_Stereo_Count	0
53784863	TPSA	30.5
54210121	Covalent_Unit_Count	1
5284648	Rotatable_Bond_Count	1
441254	Isotope_Atom_Count	0
90165975	Defined_Atom_Stereo_Count	6
10942371	Covalent_Unit_Count	1
67374621	Covalent_Unit_Count	1
58095446	Mono_Isotopic_Weight	99.104799419
75321	Defined_Bond_Stereo_Count	0
123347340	Hydrogen_Bond_Donor_Count	0
88332	Undefined_Bond_Stereo_Count	0
133108869	Structure_Complexity	133
23567795	Covalent_Unit_Count	1
65833	Mono_Isotopic_Weight	246.173213330
123769339	Hydrogen_Bond_Donor_Count	1
15098633	Covalent_Unit_Count	1
9286	Molecular_Weight	195.24
34756	Defined_Bond_Stereo_Count	0
3789	Isotope_Atom_Count	0
32416	Rotatable_Bond_Count	1
6540478	Defined_Atom_Stereo_Count	6
4645224	Molecular_Weight	165.12
151092	Exact_Mass	335.0689374
14534553	Structure_Complexity	649
136257761	Molecular_Weight	252.70
5280649	Mono_Isotopic_Weight	144.102453689
23667631	Covalent_Unit_Count	2
693165	Rotatable_Bond_Count	4
77763	Defined_Bond_Stereo_Count	0
18406174	Undefined_Atom_Stereo_Count	2
78963	Undefined_Bond_Stereo_Count	0
84788	Molecular_Weight	152.09
123801229	TPSA	29.1
123455	Undefined_Bond_Stereo_Count	0
13976241	TPSA	32.3
46437	TPSA	29.1
123979022	Isotope_Atom_Count	0
9524	Hydrogen_Bond_Donor_Count	0
121596244	Defined_Atom_Stereo_Count	6
851045	Structure_Complexity	402
21362	Hydrogen_Bond_Donor_Count	6
70962	Hydrogen_Bond_Acceptor_Count	1
642792	Undefined_Bond_Stereo_Count	0
67184	Tautomer_Count	3
101815861	Defined_Bond_Stereo_Count	0
46934729	Total_Formal_Charge	0
81836	Total_Formal_Charge	0
23677058	Hydrogen_Bond_Acceptor_Count	3
5964	Hydrogen_Bond_Donor_Count	0
158815	Defined_Bond_Stereo_Count	0
70694228	Undefined_Bond_Stereo_Count	0
74411	Undefined_Atom_Stereo_Count	0
23667639	Undefined_Atom_Stereo_Count	0
403832	XLogP3-AA	7
11499271	Isotope_Atom_Count	0
10558611	Molecular_Weight	120.11
6452419	Hydrogen_Bond_Acceptor_Count	2
8562	Hydrogen_Bond_Acceptor_Count	3
9131	Covalent_Unit_Count	1
149096	Tautomer_Count	1
88098	Defined_Bond_Stereo_Count	0
85689	Undefined_Atom_Stereo_Count	2
10636633	Hydrogen_Bond_Donor_Count	0
72076	Non-hydrogen_Atom_Count	27
8742	Undefined_Atom_Stereo_Count	0
24176	Covalent_Unit_Count	1
4603	XLogP3-AA	1.1
103451510	Undefined_Atom_Stereo_Count	1
156907991	Non-hydrogen_Atom_Count	91
40471	TPSA	0
5388957	Undefined_Atom_Stereo_Count	0
23328892	Molecular_Weight	114.14
643327	Hydrogen_Bond_Donor_Count	2
129676242	Defined_Atom_Stereo_Count	0
2099	Covalent_Unit_Count	1
6178111	Non-hydrogen_Atom_Count	17
12990	TPSA	17.1
96227	Non-hydrogen_Atom_Count	16
14456	TPSA	27.7
170317	Isotope_Atom_Count	0
66733	Defined_Bond_Stereo_Count	0
4235600	Isotope_Atom_Count	0
74041114	Rotatable_Bond_Count	1
154081962	Defined_Bond_Stereo_Count	0
568084	Defined_Atom_Stereo_Count	0
12766	Exact_Mass	128.120115130
70276605	Rotatable_Bond_Count	6
135410875	Exact_Mass	427.14918341
24901351	Total_Formal_Charge	0
19705594	Defined_Bond_Stereo_Count	0
117736505	Molecular_Weight	106.12
3541	Defined_Bond_Stereo_Count	0
20541332	Non-hydrogen_Atom_Count	18
25512	Non-hydrogen_Atom_Count	6
75197	Hydrogen_Bond_Acceptor_Count	4
28876	Defined_Atom_Stereo_Count	0
249414	Covalent_Unit_Count	1
34725	Hydrogen_Bond_Donor_Count	2
28561	TPSA	80
3037171	TPSA	180
2883	Hydrogen_Bond_Donor_Count	0
6089	Hydrogen_Bond_Donor_Count	1
144381	Non-hydrogen_Atom_Count	10
550525	Defined_Bond_Stereo_Count	0
22500965	Molecular_Weight	138.17
18615953	Mono_Isotopic_Weight	116.058577502
10895019	Isotope_Atom_Count	1
6427044	Undefined_Bond_Stereo_Count	0
25868	Total_Formal_Charge	0
135472946	Undefined_Bond_Stereo_Count	0
23667303	Isotope_Atom_Count	0
3206	Hydrogen_Bond_Acceptor_Count	5
16129616	Molecular_Weight	3431.9
46861584	Defined_Atom_Stereo_Count	0
19960955	Undefined_Bond_Stereo_Count	0
1490	XLogP3	3.9
44305779	Exact_Mass	500.05177
54778	Defined_Bond_Stereo_Count	0
2529	Hydrogen_Bond_Donor_Count	6
13586013	Molecular_Weight	103.12
122214398	Isotope_Atom_Count	0
6604858	Isotope_Atom_Count	0
2816568	Isotope_Atom_Count	0
5377254	Total_Formal_Charge	0
3085389	Undefined_Atom_Stereo_Count	1
5281706	Non-hydrogen_Atom_Count	22
59791	Hydrogen_Bond_Donor_Count	2
143716909	Molecular_Weight	112.17
89205570	Rotatable_Bond_Count	0
2723706	Structure_Complexity	173
284161	Hydrogen_Bond_Donor_Count	2
56953649	Structure_Complexity	490
81923	Exact_Mass	128.083729621
61230	Defined_Atom_Stereo_Count	0
75605138	Exact_Mass	428.0618375
44570889	Total_Formal_Charge	0
40685	Tautomer_Count	29
4231972	Non-hydrogen_Atom_Count	8
48080	Molecular_Weight	419.9
542158	Exact_Mass	484.2128852
26473	Isotope_Atom_Count	0
81638	Hydrogen_Bond_Acceptor_Count	3
123608	Covalent_Unit_Count	2
121942	Hydrogen_Bond_Donor_Count	7
62510	XLogP3-AA	1.8
22906680	Isotope_Atom_Count	0
12329	Defined_Bond_Stereo_Count	0
9892539	Mono_Isotopic_Weight	509.1751200
103023	Non-hydrogen_Atom_Count	11
8579	Defined_Bond_Stereo_Count	0
11208	Exact_Mass	72.057514874
139061810	Undefined_Bond_Stereo_Count	0
70789955	Defined_Bond_Stereo_Count	0
59047	Total_Formal_Charge	0
5057599	Undefined_Bond_Stereo_Count	0
87315833	Undefined_Atom_Stereo_Count	0
22481042	Undefined_Bond_Stereo_Count	0
458096	Rotatable_Bond_Count	13
720364	Structure_Complexity	560
18539784	Isotope_Atom_Count	0
153970	TPSA	135
69892	Exact_Mass	189.115364102
535823	Rotatable_Bond_Count	1
3918	XLogP3	3.1
12302654	Undefined_Bond_Stereo_Count	0
23591662	Covalent_Unit_Count	1
131954763	Total_Formal_Charge	0
91682	Hydrogen_Bond_Donor_Count	0
11581936	Total_Formal_Charge	0
773938	Hydrogen_Bond_Acceptor_Count	4
9866186	Total_Formal_Charge	0
12196274	Structure_Complexity	15.5
836002	Mono_Isotopic_Weight	232.0403406
24857	Isotope_Atom_Count	0
61203	Exact_Mass	188.03208797
19406	Undefined_Bond_Stereo_Count	0
65492	Mono_Isotopic_Weight	776.8541
133832	Hydrogen_Bond_Donor_Count	0
13464587	Undefined_Atom_Stereo_Count	0
53766038	TPSA	38.7
143368400	TPSA	0
17778411	Undefined_Bond_Stereo_Count	0
19349	Defined_Atom_Stereo_Count	0
5321950	XLogP3-AA	0.9
6905	Rotatable_Bond_Count	0
5461025	Undefined_Atom_Stereo_Count	0
123542468	Exact_Mass	108.093900383
285666	Tautomer_Count	5
3243871	Defined_Bond_Stereo_Count	0
28343	Non-hydrogen_Atom_Count	8
84693	Hydrogen_Bond_Donor_Count	1
1973	Structure_Complexity	564
2175	Rotatable_Bond_Count	9
5491989	Defined_Atom_Stereo_Count	4
5188	Covalent_Unit_Count	1
98177686	Hydrogen_Bond_Donor_Count	1
5457	Hydrogen_Bond_Donor_Count	0
14079	Undefined_Bond_Stereo_Count	0
69627068	Structure_Complexity	78.4
59907918	Isotope_Atom_Count	0
11957609	Mono_Isotopic_Weight	433.21005233
3781988	Rotatable_Bond_Count	6
5459845	Structure_Complexity	191
65109	Exact_Mass	691.51520532
12295520	Undefined_Atom_Stereo_Count	0
137783	XLogP3-AA	0.5
72758	TPSA	41.5
76500	Structure_Complexity	180
21124737	Hydrogen_Bond_Acceptor_Count	14
72199429	Mono_Isotopic_Weight	605.27395051
1603	TPSA	279
23158108	Structure_Complexity	51.9
12603472	Total_Formal_Charge	0
24705318	Exact_Mass	113.084063974
5080759	Mono_Isotopic_Weight	230.094294304
14546681	Defined_Atom_Stereo_Count	0
7015191	TPSA	69.1
22184652	Non-hydrogen_Atom_Count	36
11213	Isotope_Atom_Count	0
90916291	Isotope_Atom_Count	0
23190	Molecular_Weight	266.25
40523471	Molecular_Weight	347.4
3373	Covalent_Unit_Count	1
62672	Covalent_Unit_Count	6
32048	Total_Formal_Charge	0
6077	Structure_Complexity	414
131954673	Exact_Mass	1254.62847470
6406	Total_Formal_Charge	0
527511	Undefined_Atom_Stereo_Count	0
99050	Exact_Mass	325.215412493
9543213	Isotope_Atom_Count	0
71458922	Covalent_Unit_Count	1
681255	TPSA	68.5
90470563	Hydrogen_Bond_Donor_Count	0
153791162	Hydrogen_Bond_Acceptor_Count	3
14796	TPSA	34.1
6057875	Mono_Isotopic_Weight	665.30474055
123611	Hydrogen_Bond_Acceptor_Count	52
117899707	Defined_Bond_Stereo_Count	0
82441	Hydrogen_Bond_Acceptor_Count	12
57692074	Hydrogen_Bond_Acceptor_Count	7
941102	Mono_Isotopic_Weight	332.0927701
67849558	Isotope_Atom_Count	0
59295968	Covalent_Unit_Count	1
57415441	Hydrogen_Bond_Donor_Count	1
87985	TPSA	26.3
21879777	Non-hydrogen_Atom_Count	11
3033856	Non-hydrogen_Atom_Count	22
13813927	Hydrogen_Bond_Acceptor_Count	2
5458730	Structure_Complexity	1210
121877	Tautomer_Count	2
12717	Hydrogen_Bond_Donor_Count	2
34452	Molecular_Weight	344.43
107971	TPSA	146
154419142	Molecular_Weight	113.07
3033767	Total_Formal_Charge	0
135445165	Undefined_Atom_Stereo_Count	0
442993	Exact_Mass	305.16270821
139032508	Defined_Atom_Stereo_Count	0
15074	Molecular_Weight	122.12
9802673	Tautomer_Count	1
135398569	Defined_Atom_Stereo_Count	4
26757	Structure_Complexity	195
1871	Mono_Isotopic_Weight	175.026943022
16738927	TPSA	132
33473	Undefined_Atom_Stereo_Count	0
1201445	Non-hydrogen_Atom_Count	8
53432920	Hydrogen_Bond_Acceptor_Count	0
7523	Isotope_Atom_Count	0
2724259	Exact_Mass	1122.78526064
2898877	Rotatable_Bond_Count	4
10493936	Isotope_Atom_Count	0
168871	Total_Formal_Charge	0
85658	Structure_Complexity	494
2647	Exact_Mass	365.10454189
51357124	Hydrogen_Bond_Acceptor_Count	5
132277953	Defined_Atom_Stereo_Count	0
25006	Hydrogen_Bond_Acceptor_Count	1
140920	TPSA	53.2
1950	Non-hydrogen_Atom_Count	16
6398969	Defined_Bond_Stereo_Count	0
558359	Defined_Atom_Stereo_Count	0
131700865	Non-hydrogen_Atom_Count	37
441082	Hydrogen_Bond_Donor_Count	0
95102	Tautomer_Count	1
20551532	Structure_Complexity	89.7
4385	Defined_Bond_Stereo_Count	0
154544	Non-hydrogen_Atom_Count	17
25126798	Rotatable_Bond_Count	4
84552	XLogP3-AA	0.8
53248849	Exact_Mass	300.16379146
73707358	Isotope_Atom_Count	0
17945614	Structure_Complexity	82.5
73386890	Rotatable_Bond_Count	8
105426935	Undefined_Atom_Stereo_Count	1
2569	Hydrogen_Bond_Acceptor_Count	7
40230	Molecular_Weight	203.24
86138	Mono_Isotopic_Weight	336.1141743
11450633	Covalent_Unit_Count	1
3279	Rotatable_Bond_Count	9
22812306	Total_Formal_Charge	0
73115	Rotatable_Bond_Count	2
54391876	Hydrogen_Bond_Donor_Count	1
89875063	Non-hydrogen_Atom_Count	8
156417	Mono_Isotopic_Weight	765.42004509
637541	Undefined_Atom_Stereo_Count	0
18953179	Undefined_Bond_Stereo_Count	0
526950	Undefined_Bond_Stereo_Count	0
190	Defined_Atom_Stereo_Count	0
134692791	Isotope_Atom_Count	0
54580795	Isotope_Atom_Count	0
4668904	Undefined_Bond_Stereo_Count	0
15684	TPSA	20.2
101977	Molecular_Weight	156.26
2775816	Mono_Isotopic_Weight	124.0403406
17345	Undefined_Bond_Stereo_Count	0
146157736	Covalent_Unit_Count	1
54758309	Undefined_Bond_Stereo_Count	0
11636816	Undefined_Atom_Stereo_Count	0
56670168	Rotatable_Bond_Count	5
23663404	Defined_Atom_Stereo_Count	5
4609	Structure_Complexity	191
20035	Total_Formal_Charge	0
65482	Hydrogen_Bond_Donor_Count	6
92374	Undefined_Atom_Stereo_Count	0
136430	Defined_Bond_Stereo_Count	0
446257	Defined_Atom_Stereo_Count	0
71515466	Undefined_Atom_Stereo_Count	0
94973	Rotatable_Bond_Count	1
172309	Molecular_Weight	304.31
7181	Non-hydrogen_Atom_Count	18
6966	Defined_Bond_Stereo_Count	0
41377	Total_Formal_Charge	0
87470	XLogP3	2.5
71450114	Undefined_Bond_Stereo_Count	0
129800133	Hydrogen_Bond_Donor_Count	0
21889100	Hydrogen_Bond_Acceptor_Count	4
9967	Undefined_Bond_Stereo_Count	0
20784398	Rotatable_Bond_Count	2
7508	Mono_Isotopic_Weight	110.073164938
22041940	Defined_Atom_Stereo_Count	0
115355	Molecular_Weight	329.23
5362420	Hydrogen_Bond_Acceptor_Count	10
44119980	Undefined_Bond_Stereo_Count	0
50537	Exact_Mass	423.1037849
17513	TPSA	157
197581	Undefined_Bond_Stereo_Count	0
146675212	Structure_Complexity	2510
10975533	Undefined_Bond_Stereo_Count	0
59040622	Exact_Mass	180.06338810
5086465	XLogP3-AA	0.8
13930075	Molecular_Weight	113.16
25142177	Total_Formal_Charge	0
71343994	Structure_Complexity	90.4
123628273	XLogP3-AA	1.1
2723721	Undefined_Bond_Stereo_Count	0
112239	Covalent_Unit_Count	1
157599173	Undefined_Atom_Stereo_Count	1
6436449	Isotope_Atom_Count	0
15558638	TPSA	43.4
89334461	Hydrogen_Bond_Donor_Count	0
7465	Exact_Mass	136.088815002
12711598	Hydrogen_Bond_Acceptor_Count	2
2734176	Exact_Mass	281.07680542
9916998	Structure_Complexity	1070
134694738	Defined_Atom_Stereo_Count	2
3388301	Mono_Isotopic_Weight	218.9615744
13653621	TPSA	81
77266	Exact_Mass	421.0679680
66435	Non-hydrogen_Atom_Count	24
35004	Hydrogen_Bond_Donor_Count	1
135440068	Hydrogen_Bond_Acceptor_Count	6
9856149	Molecular_Weight	238.37
56627	Hydrogen_Bond_Acceptor_Count	8
101375997	Structure_Complexity	1840
1437819	TPSA	37.4
11416	Isotope_Atom_Count	0
7181	XLogP3	1
15801221	Total_Formal_Charge	0
5287736	Undefined_Bond_Stereo_Count	0
14969	Non-hydrogen_Atom_Count	101
12933274	Undefined_Bond_Stereo_Count	0
11957593	Defined_Atom_Stereo_Count	0
44453028	Structure_Complexity	814
25023856	Covalent_Unit_Count	1
23663982	Hydrogen_Bond_Acceptor_Count	5
630355	TPSA	40.5
71457270	Mono_Isotopic_Weight	553.2343490
12867427	Covalent_Unit_Count	1
62751	Undefined_Atom_Stereo_Count	0
86062	Isotope_Atom_Count	0
36812	Total_Formal_Charge	0
23675258	Covalent_Unit_Count	2
5363095	Undefined_Bond_Stereo_Count	0
522065	Molecular_Weight	146.30
145068	TPSA	18.1
10909529	Total_Formal_Charge	0
31393	Exact_Mass	377.786786
6369059	Total_Formal_Charge	1
1476655	XLogP3-AA	1.5
31098	Total_Formal_Charge	0
77531	Defined_Atom_Stereo_Count	0
22873	Rotatable_Bond_Count	10
4278369	Defined_Atom_Stereo_Count	0
197998	Total_Formal_Charge	0
11993	Rotatable_Bond_Count	0
692587	XLogP3-AA	4.7
12763	Hydrogen_Bond_Acceptor_Count	0
123868	Non-hydrogen_Atom_Count	10
5329102	Exact_Mass	398.21180428
4597	Defined_Bond_Stereo_Count	0
11636795	Hydrogen_Bond_Donor_Count	0
12452048	Mono_Isotopic_Weight	112.088815002
4570	Structure_Complexity	555
2933256	Isotope_Atom_Count	0
101630689	Total_Formal_Charge	0
11349170	Exact_Mass	368.19607403
118984411	Hydrogen_Bond_Donor_Count	1
53317813	Rotatable_Bond_Count	6
41478	Exact_Mass	406.04637137
5504	Rotatable_Bond_Count	2
61828	Mono_Isotopic_Weight	239.93012
74339141	Hydrogen_Bond_Acceptor_Count	9
4993182	Covalent_Unit_Count	1
27932	Exact_Mass	100.063662883
3068840	Structure_Complexity	443
70299	Defined_Bond_Stereo_Count	0
5352837	Rotatable_Bond_Count	5
676041	Exact_Mass	219.125928785
44629522	Exact_Mass	582.31433815
193956	Isotope_Atom_Count	0
686703	Hydrogen_Bond_Acceptor_Count	3
3055172	XLogP3	3.8
442	Defined_Bond_Stereo_Count	0
14842942	Defined_Bond_Stereo_Count	0
60867	Total_Formal_Charge	0
51030896	TPSA	117
3810	Rotatable_Bond_Count	7
153085381	Undefined_Bond_Stereo_Count	0
8815	Undefined_Atom_Stereo_Count	0
5280981	Hydrogen_Bond_Donor_Count	3
20433	Total_Formal_Charge	0
4037	Covalent_Unit_Count	1
12268623	Structure_Complexity	122
53947	Isotope_Atom_Count	0
5478817	Structure_Complexity	124
134558090	Isotope_Atom_Count	0
122023	Molecular_Weight	360.5
9087	Total_Formal_Charge	0
23963	TPSA	0
16071605	Undefined_Atom_Stereo_Count	0
1030	Defined_Atom_Stereo_Count	0
520326	Undefined_Atom_Stereo_Count	1
10813654	Defined_Atom_Stereo_Count	4
51759	Hydrogen_Bond_Acceptor_Count	8
881	Undefined_Bond_Stereo_Count	0
20702319	Molecular_Weight	113.16
106228050	Defined_Atom_Stereo_Count	0
44539266	TPSA	146
45357796	Tautomer_Count	1
441073	TPSA	45.6
60196395	Rotatable_Bond_Count	2
101626738	Defined_Atom_Stereo_Count	6
88267	Defined_Atom_Stereo_Count	0
62155	Defined_Atom_Stereo_Count	0
442793	Non-hydrogen_Atom_Count	21
441345	TPSA	55.8
533866	Undefined_Atom_Stereo_Count	0
55840	Undefined_Atom_Stereo_Count	0
87251056	Structure_Complexity	174
15211200	Defined_Bond_Stereo_Count	0
55286286	Hydrogen_Bond_Donor_Count	1
6473973	Covalent_Unit_Count	1
3317081	Tautomer_Count	1
36486	Isotope_Atom_Count	0
124226575	Undefined_Atom_Stereo_Count	0
56598471	Molecular_Weight	406.4
57429842	Non-hydrogen_Atom_Count	8
53999929	Defined_Bond_Stereo_Count	0
22160808	Rotatable_Bond_Count	2
2455	Hydrogen_Bond_Donor_Count	1
34005	Structure_Complexity	56
68624	Total_Formal_Charge	0
25008249	Rotatable_Bond_Count	8
10341	TPSA	26.3
45488111	Mono_Isotopic_Weight	444.12093841
5283741	Mono_Isotopic_Weight	416.32904526
9189	TPSA	12.9
9934678	Hydrogen_Bond_Acceptor_Count	6
11317	TPSA	0
16211839	Tautomer_Count	1
101203296	Structure_Complexity	252
5149739	Undefined_Bond_Stereo_Count	0
135643052	Exact_Mass	224.07970687
58208	Defined_Atom_Stereo_Count	0
5167	Undefined_Atom_Stereo_Count	1
65662	Mono_Isotopic_Weight	267.125928785
51683431	TPSA	190
1855	Non-hydrogen_Atom_Count	15
134695314	Isotope_Atom_Count	0
81569	Rotatable_Bond_Count	3
101622923	Defined_Atom_Stereo_Count	0
73755062	Rotatable_Bond_Count	14
54475716	Undefined_Atom_Stereo_Count	3
60196441	XLogP3-AA	6.5
11105356	Undefined_Atom_Stereo_Count	0
193090	Mono_Isotopic_Weight	102.031694049
5462306	Exact_Mass	297.13649347
24848191	Isotope_Atom_Count	0
24746982	XLogP3-AA	3.3
4538	Undefined_Atom_Stereo_Count	1
10496	Structure_Complexity	357
21924633	Covalent_Unit_Count	1
945090	Covalent_Unit_Count	1
738033	Undefined_Atom_Stereo_Count	0
119	Undefined_Atom_Stereo_Count	0
66587017	Mono_Isotopic_Weight	458.0553388
56633764	Defined_Bond_Stereo_Count	0
91302105	Hydrogen_Bond_Donor_Count	0
738541	Isotope_Atom_Count	0
25074887	Mono_Isotopic_Weight	1429.6698184
5367412	Structure_Complexity	129
61071	Undefined_Bond_Stereo_Count	1
246	Total_Formal_Charge	0
89737	Undefined_Atom_Stereo_Count	0
72430	TPSA	84.5
4136	Undefined_Bond_Stereo_Count	0
17895808	Total_Formal_Charge	0
449015	Hydrogen_Bond_Acceptor_Count	4
164912	Defined_Atom_Stereo_Count	0
867	TPSA	74.6
87280027	Exact_Mass	112.027277375
5284607	Rotatable_Bond_Count	14
53260965	Exact_Mass	384.02483287
374	Defined_Atom_Stereo_Count	0
2756017	Undefined_Bond_Stereo_Count	0
132276561	Hydrogen_Bond_Acceptor_Count	12
133264	Total_Formal_Charge	0
3264839	Defined_Atom_Stereo_Count	0
15817734	TPSA	34.5
5310985	Non-hydrogen_Atom_Count	23
3035442	Defined_Atom_Stereo_Count	2
9862076	Rotatable_Bond_Count	3
130114929	Undefined_Bond_Stereo_Count	0
68234591	Defined_Atom_Stereo_Count	0
54372438	Hydrogen_Bond_Donor_Count	0
5400866	Non-hydrogen_Atom_Count	19
21625926	Undefined_Atom_Stereo_Count	0
69845357	Undefined_Atom_Stereo_Count	1
129318280	Hydrogen_Bond_Acceptor_Count	5
118161592	Molecular_Weight	110.15
447546	Covalent_Unit_Count	1
12724530	Defined_Atom_Stereo_Count	0
6918493	Undefined_Atom_Stereo_Count	0
2914	Exact_Mass	416.1754371
9812772	Rotatable_Bond_Count	2
82755	Rotatable_Bond_Count	2
51933	Isotope_Atom_Count	0
13449768	Covalent_Unit_Count	1
10866310	Molecular_Weight	116.20
2707	Isotope_Atom_Count	0
117783900	Undefined_Atom_Stereo_Count	3
15367	Undefined_Bond_Stereo_Count	0
6349	Mono_Isotopic_Weight	117.92685
15981323	Structure_Complexity	557
49867704	Structure_Complexity	163
12387212	Defined_Bond_Stereo_Count	0
106428	Exact_Mass	220.1342410
91683	Rotatable_Bond_Count	3
3315	Mono_Isotopic_Weight	872.05463428
13600903	Undefined_Atom_Stereo_Count	0
5460364	Mono_Isotopic_Weight	115.039519081
124770286	Non-hydrogen_Atom_Count	47
25006685	TPSA	84.2
736858	Covalent_Unit_Count	1
120741	Non-hydrogen_Atom_Count	24
441332	Covalent_Unit_Count	1
129709955	Exact_Mass	250.172150702
60814	Molecular_Weight	412.9
6974	Hydrogen_Bond_Donor_Count	0
86101	Molecular_Weight	418.27
141	Non-hydrogen_Atom_Count	34
21769	Molecular_Weight	348.9
442424	TPSA	76
642765	Isotope_Atom_Count	0
11701	Non-hydrogen_Atom_Count	10
8642	Non-hydrogen_Atom_Count	21
12425338	Molecular_Weight	114.19
5751	Covalent_Unit_Count	1
66545	TPSA	115
132031748	Isotope_Atom_Count	0
5111791	Mono_Isotopic_Weight	153.053826475
7654	Isotope_Atom_Count	0
4573	Tautomer_Count	1
667468	TPSA	12.5
14529	TPSA	20.2
10129911	Defined_Atom_Stereo_Count	0
1340	Undefined_Bond_Stereo_Count	0
53992423	Hydrogen_Bond_Acceptor_Count	2
136572	Hydrogen_Bond_Donor_Count	0
2963	Hydrogen_Bond_Acceptor_Count	3
8372	Structure_Complexity	480
10935908	Molecular_Weight	313.4
4060	Mono_Isotopic_Weight	218.105527694
118010650	Undefined_Atom_Stereo_Count	0
78096	Hydrogen_Bond_Acceptor_Count	4
4409396	Hydrogen_Bond_Acceptor_Count	10
124635203	Hydrogen_Bond_Donor_Count	8
73111	Rotatable_Bond_Count	9
442027	Defined_Bond_Stereo_Count	0
19077508	Covalent_Unit_Count	1
62416539	Exact_Mass	110.084398327
2846	Mono_Isotopic_Weight	662.41556884
20821286	Undefined_Bond_Stereo_Count	0
135484551	Hydrogen_Bond_Acceptor_Count	9
122004	Covalent_Unit_Count	1
129709955	Non-hydrogen_Atom_Count	19
24840945	Non-hydrogen_Atom_Count	9
85708088	Non-hydrogen_Atom_Count	8
643836	Defined_Bond_Stereo_Count	1
5373729	Tautomer_Count	1
16662	Undefined_Bond_Stereo_Count	0
65667	TPSA	118
56631355	Exact_Mass	116.083729621
70430	Isotope_Atom_Count	0
7106	Covalent_Unit_Count	1
256539	Covalent_Unit_Count	1
13317841	Non-hydrogen_Atom_Count	8
517	Undefined_Atom_Stereo_Count	4
11351021	Undefined_Bond_Stereo_Count	0
13708	Defined_Atom_Stereo_Count	0
96393	Total_Formal_Charge	0
68903	Defined_Bond_Stereo_Count	0
160865755	Hydrogen_Bond_Acceptor_Count	2
28532	TPSA	95.6
56659838	Undefined_Atom_Stereo_Count	0
509147	Isotope_Atom_Count	0
208922	Rotatable_Bond_Count	4
54492709	Isotope_Atom_Count	0
10457	TPSA	74.6
19604274	Structure_Complexity	267
68036	Defined_Atom_Stereo_Count	0
13661	Defined_Atom_Stereo_Count	0
6419965	Hydrogen_Bond_Donor_Count	4
53701	Total_Formal_Charge	0
73554303	Defined_Atom_Stereo_Count	0
7248	Hydrogen_Bond_Donor_Count	1
31211	XLogP3	0.8
77072	Total_Formal_Charge	1
21889252	Defined_Bond_Stereo_Count	0
14862984	Total_Formal_Charge	0
3034048	Undefined_Bond_Stereo_Count	0
656575	Structure_Complexity	1050
2167092	Non-hydrogen_Atom_Count	23
93706	Tautomer_Count	1
15918976	Hydrogen_Bond_Acceptor_Count	3
518924	Isotope_Atom_Count	0
23663939	Hydrogen_Bond_Donor_Count	4
5702220	Total_Formal_Charge	0
22227528	Defined_Atom_Stereo_Count	0
84072504	Defined_Atom_Stereo_Count	0
11350	Hydrogen_Bond_Donor_Count	2
3392178	Isotope_Atom_Count	0
23253567	Defined_Atom_Stereo_Count	4
17693	Undefined_Atom_Stereo_Count	0
2299	Non-hydrogen_Atom_Count	32
34794	TPSA	25.8
84815	TPSA	88.6
4477	Molecular_Weight	327.12
82202	Tautomer_Count	2
12132667	Molecular_Weight	96.13
3053755	Hydrogen_Bond_Acceptor_Count	3
6299	Mono_Isotopic_Weight	404.413049667
52943333	Exact_Mass	421.14133951
40839	Undefined_Bond_Stereo_Count	0
107428	Molecular_Weight	180.16
9549168	Undefined_Bond_Stereo_Count	0
137705114	Defined_Atom_Stereo_Count	5
22491624	Exact_Mass	111.01427034
137606	Defined_Atom_Stereo_Count	0
84032542	Structure_Complexity	122
10948	Defined_Bond_Stereo_Count	0
13570060	Hydrogen_Bond_Donor_Count	0
142403638	Rotatable_Bond_Count	1
55509	Defined_Atom_Stereo_Count	0
794	TPSA	83
90272	Molecular_Weight	262.69
80790	Non-hydrogen_Atom_Count	12
165986150	Exact_Mass	111.068413911
611834	Non-hydrogen_Atom_Count	25
12076	Undefined_Bond_Stereo_Count	0
62398693	Non-hydrogen_Atom_Count	7
11149862	Defined_Atom_Stereo_Count	0
146364	Defined_Atom_Stereo_Count	7
80654	Non-hydrogen_Atom_Count	10
6477182	TPSA	74.2
213016	TPSA	69.5
11582982	XLogP3-AA	3.1
131966078	Defined_Bond_Stereo_Count	0
18126	Non-hydrogen_Atom_Count	9
10081060	Undefined_Bond_Stereo_Count	0
63985	Hydrogen_Bond_Acceptor_Count	6
70688569	Mono_Isotopic_Weight	385.16510826
18032	Exact_Mass	322.05652664
16591	XLogP3-AA	2.4
10326800	Exact_Mass	640.36247064
59058905	Molecular_Weight	112.09
575408	Isotope_Atom_Count	0
124770289	Undefined_Atom_Stereo_Count	0
9359	Hydrogen_Bond_Acceptor_Count	0
138975	Non-hydrogen_Atom_Count	14
233208	Isotope_Atom_Count	0
35810	TPSA	31.7
60759	Molecular_Weight	267.32
4623	Undefined_Atom_Stereo_Count	0
487101	Non-hydrogen_Atom_Count	30
3034319	Rotatable_Bond_Count	1
9047	Total_Formal_Charge	0
11865459	Total_Formal_Charge	1
400433	Defined_Atom_Stereo_Count	0
129635886	Hydrogen_Bond_Donor_Count	3
92043424	Structure_Complexity	3290
7451	Hydrogen_Bond_Acceptor_Count	2
54324318	Covalent_Unit_Count	1
70263	Total_Formal_Charge	0
12774278	Defined_Atom_Stereo_Count	1
7032	Defined_Bond_Stereo_Count	0
53326689	Hydrogen_Bond_Acceptor_Count	5
7536516	Mono_Isotopic_Weight	161.095297364
12351158	Exact_Mass	97.016378338
1878	Defined_Bond_Stereo_Count	0
533427	Molecular_Weight	92.10
5311447	Non-hydrogen_Atom_Count	31
5941539	Molecular_Weight	390.5
9639	Hydrogen_Bond_Donor_Count	0
19027761	Molecular_Weight	109.13
11062345	Non-hydrogen_Atom_Count	8
54725318	Hydrogen_Bond_Donor_Count	3
529389	Non-hydrogen_Atom_Count	8
3566770	Defined_Bond_Stereo_Count	0
12347357	Undefined_Bond_Stereo_Count	0
114823056	XLogP3-AA	0.4
34698	Total_Formal_Charge	0
21067	Undefined_Bond_Stereo_Count	0
118209567	Covalent_Unit_Count	1
28754	Undefined_Bond_Stereo_Count	0
135546352	TPSA	50.7
72200292	Isotope_Atom_Count	0
23676736	Hydrogen_Bond_Donor_Count	1
117762967	Non-hydrogen_Atom_Count	15
3082221	Hydrogen_Bond_Acceptor_Count	5
441856	Tautomer_Count	1
22499346	Isotope_Atom_Count	0
168870	Structure_Complexity	1210
15271	Tautomer_Count	1
441558	TPSA	18.5
6411	Molecular_Weight	112.11
91864465	Defined_Atom_Stereo_Count	4
7918	Hydrogen_Bond_Acceptor_Count	3
26139	Structure_Complexity	239
5642	Undefined_Atom_Stereo_Count	4
261166	XLogP3-AA	3.8
11069215	Exact_Mass	391.0448479
1293762	Undefined_Bond_Stereo_Count	0
216258	Undefined_Atom_Stereo_Count	13
89738	Undefined_Atom_Stereo_Count	0
73277	Hydrogen_Bond_Acceptor_Count	2
67678949	Hydrogen_Bond_Donor_Count	0
10221470	Non-hydrogen_Atom_Count	20
644273	Hydrogen_Bond_Acceptor_Count	3
64627	Structure_Complexity	609
90757303	Exact_Mass	93.057849228
3081561	Hydrogen_Bond_Acceptor_Count	51
81332758	Mono_Isotopic_Weight	111.068413911
9708	Defined_Bond_Stereo_Count	0
140990657	TPSA	44.5
87833	Covalent_Unit_Count	1
443403	Non-hydrogen_Atom_Count	20
3290	Exact_Mass	312.16601995
68129	XLogP3-AA	0
13738268	Hydrogen_Bond_Donor_Count	0
24848271	XLogP3-AA	3.7
24848283	Hydrogen_Bond_Acceptor_Count	5
102	Defined_Bond_Stereo_Count	0
8141	Hydrogen_Bond_Donor_Count	0
73415798	Hydrogen_Bond_Donor_Count	9
5431	Rotatable_Bond_Count	8
214339	XLogP3-AA	4
51644315	Molecular_Weight	123.99
150868	Non-hydrogen_Atom_Count	14
58907754	XLogP3-AA	2.5
16689337	Undefined_Bond_Stereo_Count	0
99049	Molecular_Weight	575.7
3510569	Undefined_Atom_Stereo_Count	0
10075	Isotope_Atom_Count	0
10474339	Mono_Isotopic_Weight	370.0332044
9867812	Undefined_Atom_Stereo_Count	0
5273759	Rotatable_Bond_Count	6
93321	Hydrogen_Bond_Donor_Count	4
135442196	Mono_Isotopic_Weight	803.09524014
177085	Defined_Atom_Stereo_Count	0
5491665	Mono_Isotopic_Weight	531.1560986
23729666	Exact_Mass	386.2124913
7207	Isotope_Atom_Count	0
153127831	Isotope_Atom_Count	0
55299744	XLogP3-AA	1
5282200	Hydrogen_Bond_Donor_Count	10
5288453	Isotope_Atom_Count	0
132274874	Rotatable_Bond_Count	15
11576068	Undefined_Atom_Stereo_Count	0
20605384	Undefined_Bond_Stereo_Count	0
45944	Hydrogen_Bond_Donor_Count	1
24458	Total_Formal_Charge	0
53708958	Exact_Mass	114.068079557
53936528	Covalent_Unit_Count	1
3305	Tautomer_Count	1
58460047	Isotope_Atom_Count	0
20583864	Exact_Mass	114.104465066
86653211	Exact_Mass	302.1577414
130025208	Total_Formal_Charge	0
68909	Hydrogen_Bond_Donor_Count	1
139033724	Mono_Isotopic_Weight	3035.1547236
6328657	Undefined_Bond_Stereo_Count	0
51701	Rotatable_Bond_Count	7
1241301	Total_Formal_Charge	0
12367843	Rotatable_Bond_Count	0
36246	Defined_Bond_Stereo_Count	0
154058	Covalent_Unit_Count	2
26033	Hydrogen_Bond_Donor_Count	0
7610	Exact_Mass	137.084063974
23049714	Mono_Isotopic_Weight	165.02483502
3365553	Exact_Mass	87.068413911
7915	Covalent_Unit_Count	1
44368	Hydrogen_Bond_Acceptor_Count	0
83859	Structure_Complexity	503
45280821	Covalent_Unit_Count	1
5475158	Defined_Atom_Stereo_Count	0
7363	Total_Formal_Charge	0
170234	Defined_Bond_Stereo_Count	0
6435836	Hydrogen_Bond_Acceptor_Count	8
12186	TPSA	20.2
46830291	Molecular_Weight	399.8
124085867	Hydrogen_Bond_Donor_Count	0
81764	Non-hydrogen_Atom_Count	19
53767921	Defined_Bond_Stereo_Count	0
70682214	Total_Formal_Charge	0
11776	Undefined_Bond_Stereo_Count	0
56673241	XLogP3-AA	2.8
68651	Defined_Atom_Stereo_Count	0
10347501	Exact_Mass	549.16353150
12271346	Non-hydrogen_Atom_Count	8
3066538	Undefined_Bond_Stereo_Count	0
7261	XLogP3	0.1
117683867	Rotatable_Bond_Count	6
76980	Total_Formal_Charge	0
90055716	XLogP3-AA	1.2
17392	Non-hydrogen_Atom_Count	27
63935844	Total_Formal_Charge	0
3061720	Total_Formal_Charge	0
1897	Isotope_Atom_Count	0
135871122	Tautomer_Count	85
71305034	Hydrogen_Bond_Donor_Count	2
9789	Structure_Complexity	146
154518019	Non-hydrogen_Atom_Count	6
9678	Defined_Bond_Stereo_Count	0
383	Molecular_Weight	1158.1
62219	Undefined_Bond_Stereo_Count	0
79098	Isotope_Atom_Count	0
10307909	Structure_Complexity	219
23665730	Defined_Bond_Stereo_Count	1
69347980	Undefined_Atom_Stereo_Count	0
68901	TPSA	121
57401570	Exact_Mass	370.10996162
55603	Undefined_Bond_Stereo_Count	0
69333614	Structure_Complexity	66.7
66766582	Defined_Atom_Stereo_Count	0
13198436	Defined_Atom_Stereo_Count	0
22264	Hydrogen_Bond_Donor_Count	3
23897	Mono_Isotopic_Weight	276.183778013
7597	Molecular_Weight	214.22
19437571	Exact_Mass	112.088815002
129754695	Non-hydrogen_Atom_Count	29
91224654	Exact_Mass	108.093900383
51003592	Hydrogen_Bond_Donor_Count	1
312816	Undefined_Atom_Stereo_Count	6
31291	Defined_Atom_Stereo_Count	0
5241	Total_Formal_Charge	0
527256	Undefined_Atom_Stereo_Count	3
24900685	Molecular_Weight	464.6
151255	Hydrogen_Bond_Acceptor_Count	3
92222	Non-hydrogen_Atom_Count	14
8657	Mono_Isotopic_Weight	134.109550447
12934018	Covalent_Unit_Count	1
16290686	Hydrogen_Bond_Donor_Count	3
10102486	Molecular_Weight	993.6
8292	Rotatable_Bond_Count	7
5280795	Undefined_Atom_Stereo_Count	0
63198	Isotope_Atom_Count	0
135618542	Non-hydrogen_Atom_Count	41
85500	Undefined_Bond_Stereo_Count	0
129711560	Undefined_Atom_Stereo_Count	4
60199965	Non-hydrogen_Atom_Count	35
57871279	Covalent_Unit_Count	1
524829	Defined_Bond_Stereo_Count	0
101973938	Structure_Complexity	772
4876	Covalent_Unit_Count	1
24568	Hydrogen_Bond_Acceptor_Count	20
44630020	Mono_Isotopic_Weight	497.12580676
3038498	Mono_Isotopic_Weight	288.11266076
163798512	Hydrogen_Bond_Donor_Count	7
80822	Mono_Isotopic_Weight	695.08851438
3801344	Hydrogen_Bond_Donor_Count	0
78904	Defined_Atom_Stereo_Count	0
542338	Mono_Isotopic_Weight	100.088815002
12573	Covalent_Unit_Count	1
8901	Molecular_Weight	96.13
119	Isotope_Atom_Count	0
138394128	Rotatable_Bond_Count	6
10958914	Isotope_Atom_Count	1
2794833	Structure_Complexity	77.8
15090448	Defined_Bond_Stereo_Count	0
44565819	Isotope_Atom_Count	0
57697	Structure_Complexity	489
11244031	Covalent_Unit_Count	1
44629591	Exact_Mass	572.31581775
6717	Structure_Complexity	461
139079243	Defined_Atom_Stereo_Count	0
53627428	Structure_Complexity	607
6435808	Non-hydrogen_Atom_Count	18
51432351	Undefined_Atom_Stereo_Count	0
431630	Defined_Bond_Stereo_Count	0
5748152	Molecular_Weight	324.4
5814	Isotope_Atom_Count	0
20487874	TPSA	0
67356	Mono_Isotopic_Weight	509.1282236
556685	Structure_Complexity	76.2
693315	Undefined_Bond_Stereo_Count	1
87250	XLogP3	3.2
135565042	Non-hydrogen_Atom_Count	29
68604	XLogP3-AA	2.8
4204	XLogP3-AA	3.7
25199890	Total_Formal_Charge	0
118379	Defined_Atom_Stereo_Count	0
37873	Hydrogen_Bond_Acceptor_Count	3
534610	Undefined_Bond_Stereo_Count	0
10379137	Exact_Mass	284.11609238
54236977	Total_Formal_Charge	0
6609	Defined_Atom_Stereo_Count	0
72999858	Non-hydrogen_Atom_Count	33
1016	TPSA	130
46205408	Molecular_Weight	599.7
556485	Exact_Mass	112.088815002
121493662	Mono_Isotopic_Weight	1663.4923528
5282109	Undefined_Bond_Stereo_Count	0
5288631	Undefined_Atom_Stereo_Count	0
90931176	Hydrogen_Bond_Acceptor_Count	0
91439	XLogP3-AA	6.5
162883449	Rotatable_Bond_Count	6
12295520	Molecular_Weight	110.16
24945227	TPSA	81.1
73415830	Defined_Bond_Stereo_Count	0
71432915	Total_Formal_Charge	0
4308	Tautomer_Count	2
9956119	Tautomer_Count	14
44669160	TPSA	91.8
10643636	Non-hydrogen_Atom_Count	27
51417552	Exact_Mass	288.17254462
57185798	Isotope_Atom_Count	0
571982	Hydrogen_Bond_Acceptor_Count	18
4443516	Undefined_Atom_Stereo_Count	1
57250923	Molecular_Weight	110.15
637997	Defined_Atom_Stereo_Count	0
88525	Hydrogen_Bond_Donor_Count	0
69158971	Defined_Bond_Stereo_Count	0
163798512	Exact_Mass	665.30474055
9874838	Defined_Atom_Stereo_Count	0
446142	Undefined_Atom_Stereo_Count	0
70682213	Undefined_Atom_Stereo_Count	0
1242943	Exact_Mass	317.12766012
920	Defined_Bond_Stereo_Count	0
10102	Hydrogen_Bond_Acceptor_Count	0
54413601	Undefined_Bond_Stereo_Count	0
86305	Rotatable_Bond_Count	5
66316	Mono_Isotopic_Weight	204.078644241
674701	Rotatable_Bond_Count	5
24864821	Molecular_Weight	383.4
447362	Non-hydrogen_Atom_Count	30
60195813	Isotope_Atom_Count	0
18868	Undefined_Atom_Stereo_Count	0
16750192	Isotope_Atom_Count	0
49865963	Defined_Bond_Stereo_Count	0
54595803	Defined_Bond_Stereo_Count	0
142538	Undefined_Atom_Stereo_Count	2
558102	Mono_Isotopic_Weight	181.885975
15185934	Isotope_Atom_Count	0
3082127	XLogP3-AA	2.4
71462631	Hydrogen_Bond_Acceptor_Count	4
73437612	Molecular_Weight	768.5
71374162	Defined_Atom_Stereo_Count	0
4947	Undefined_Atom_Stereo_Count	0
10134976	Undefined_Bond_Stereo_Count	0
13012673	Non-hydrogen_Atom_Count	5
153791162	Rotatable_Bond_Count	1
227	Structure_Complexity	136
91439	Total_Formal_Charge	0
13359319	Mono_Isotopic_Weight	114.104465066
131407356	TPSA	51.8
3051	Covalent_Unit_Count	1
413534	Hydrogen_Bond_Donor_Count	0
1573	Total_Formal_Charge	0
439586	Tautomer_Count	1
702015	Structure_Complexity	352
22591521	Hydrogen_Bond_Acceptor_Count	3
4373	Mono_Isotopic_Weight	502.2194272
34521	Exact_Mass	207.08954328
5284633	Total_Formal_Charge	0
447815	XLogP3-AA	2
636523	Non-hydrogen_Atom_Count	16
11601544	Hydrogen_Bond_Acceptor_Count	2
724183	Molecular_Weight	294.3
135413497	Molecular_Weight	266.09
91668194	Molecular_Weight	415.4
10448	Structure_Complexity	23.5
72521	Tautomer_Count	15
62274	Defined_Bond_Stereo_Count	0
129642209	Total_Formal_Charge	0
164076539	Defined_Bond_Stereo_Count	0
57401371	Structure_Complexity	762
70425	Exact_Mass	382.13339621
54188406	Defined_Bond_Stereo_Count	0
22998467	Undefined_Bond_Stereo_Count	0
12519677	Undefined_Bond_Stereo_Count	0
54760130	Undefined_Bond_Stereo_Count	0
72402	Undefined_Bond_Stereo_Count	0
3033050	Structure_Complexity	869
26130	Mono_Isotopic_Weight	139.026943022
141395	Isotope_Atom_Count	0
7267	Undefined_Bond_Stereo_Count	0
15407	Defined_Atom_Stereo_Count	0
135582708	Covalent_Unit_Count	1
4362	Structure_Complexity	166
134828	Mono_Isotopic_Weight	298.09535693
4414	Non-hydrogen_Atom_Count	29
9912	Isotope_Atom_Count	0
733511	Mono_Isotopic_Weight	319.157228913
136120826	Defined_Bond_Stereo_Count	0
4744	Total_Formal_Charge	0
8275	Rotatable_Bond_Count	4
43173	Hydrogen_Bond_Donor_Count	3
24090	Hydrogen_Bond_Acceptor_Count	0
17816	Defined_Bond_Stereo_Count	0
10331863	Exact_Mass	240.10627659
116161184	Isotope_Atom_Count	0
59020	Total_Formal_Charge	0
92874	Undefined_Bond_Stereo_Count	0
24849132	Undefined_Bond_Stereo_Count	0
12673114	TPSA	20.2
64696	Hydrogen_Bond_Donor_Count	2
23158703	Exact_Mass	387.15426879
11988953	Tautomer_Count	1
3016570	Exact_Mass	140.120115130
66425	Exact_Mass	286.193280068
6844	Rotatable_Bond_Count	1
25102938	Mono_Isotopic_Weight	361.11210749
57393451	Isotope_Atom_Count	0
149798	XLogP3-AA	1.1
41967	Tautomer_Count	1
87386545	Hydrogen_Bond_Donor_Count	2
77721	Structure_Complexity	297
15677	Covalent_Unit_Count	1
60287	Molecular_Weight	263.37
71417	Mono_Isotopic_Weight	313.1557047
19027815	Covalent_Unit_Count	1
9942131	Non-hydrogen_Atom_Count	8
13003788	Total_Formal_Charge	0
5388961	TPSA	171
61534	Undefined_Bond_Stereo_Count	0
62751	Isotope_Atom_Count	0
12381281	Non-hydrogen_Atom_Count	7
5353622	Undefined_Bond_Stereo_Count	0
37907	Total_Formal_Charge	0
5047209	XLogP3-AA	0.5
23647685	Defined_Bond_Stereo_Count	0
159278	Structure_Complexity	306
13194811	Non-hydrogen_Atom_Count	25
12444627	Tautomer_Count	83
3827	TPSA	48.6
32802	Covalent_Unit_Count	1
98341	Defined_Atom_Stereo_Count	0
442113	Exact_Mass	262.13174244
19078026	Exact_Mass	99.068413911
23519825	Mono_Isotopic_Weight	381.0484802
24977371	Molecular_Weight	112.17
153274329	Hydrogen_Bond_Donor_Count	4
157903531	Mono_Isotopic_Weight	99.068413911
22227703	Isotope_Atom_Count	0
70198	Rotatable_Bond_Count	0
58051	Covalent_Unit_Count	1
5333	Defined_Bond_Stereo_Count	0
9688	Defined_Bond_Stereo_Count	0
161561	Mono_Isotopic_Weight	430.1093467
43708	Isotope_Atom_Count	0
72142	Hydrogen_Bond_Acceptor_Count	4
66124	Rotatable_Bond_Count	3
45116668	Rotatable_Bond_Count	1
18551400	Total_Formal_Charge	0
42602097	Molecular_Weight	424.9
638678	Defined_Bond_Stereo_Count	0
17991084	Hydrogen_Bond_Donor_Count	1
44392131	Undefined_Atom_Stereo_Count	0
223407	Undefined_Atom_Stereo_Count	7
365673	Mono_Isotopic_Weight	438.2186393
6419807	Exact_Mass	328.1090889
71773445	XLogP3	0.3
3548422	Tautomer_Count	1
5102	Undefined_Bond_Stereo_Count	0
139062042	Defined_Bond_Stereo_Count	0
12374	Mono_Isotopic_Weight	118.099379685
165337	TPSA	40.1
6918540	Molecular_Weight	389.6
222778	Defined_Bond_Stereo_Count	0
3858	Structure_Complexity	231
126843179	Hydrogen_Bond_Donor_Count	4
3033968	Hydrogen_Bond_Donor_Count	1
57372628	Rotatable_Bond_Count	6
125461340	Molecular_Weight	665.7
11002	Covalent_Unit_Count	1
5622	TPSA	72.9
58460047	Structure_Complexity	860
5707	Defined_Bond_Stereo_Count	0
9874874	TPSA	174
9661	Defined_Bond_Stereo_Count	0
796414	Exact_Mass	276.183778013
71460924	Total_Formal_Charge	0
2759227	Exact_Mass	253.05863707
249	Total_Formal_Charge	1
51001299	Mono_Isotopic_Weight	375.15513817
9868580	Hydrogen_Bond_Acceptor_Count	4
90547	Undefined_Atom_Stereo_Count	0
559	TPSA	81.5
69168745	Undefined_Atom_Stereo_Count	0
9935526	Covalent_Unit_Count	1
122356	Total_Formal_Charge	0
10658	XLogP3	2
80265	Covalent_Unit_Count	1
23663958	Non-hydrogen_Atom_Count	17
723	Structure_Complexity	119
91583	Covalent_Unit_Count	1
89053261	Isotope_Atom_Count	0
26136	Total_Formal_Charge	0
19437303	Structure_Complexity	80.2
53373584	Total_Formal_Charge	0
24956	Total_Formal_Charge	0
60196404	Structure_Complexity	886
71719928	TPSA	260
10297	Tautomer_Count	1
60503	Hydrogen_Bond_Acceptor_Count	2
16822	TPSA	49.7
17956339	Defined_Atom_Stereo_Count	0
12264928	Structure_Complexity	68.3
86446	Hydrogen_Bond_Donor_Count	0
15895902	Isotope_Atom_Count	0
47510	Hydrogen_Bond_Donor_Count	3
21516623	Hydrogen_Bond_Donor_Count	0
9922708	Structure_Complexity	360
71355988	Isotope_Atom_Count	0
40460	Undefined_Bond_Stereo_Count	0
11424151	Hydrogen_Bond_Acceptor_Count	2
22081030	Mono_Isotopic_Weight	111.032028402
54292	Mono_Isotopic_Weight	320.120115130
44571224	Undefined_Bond_Stereo_Count	0
6858006	Molecular_Weight	873.1
6477971	Hydrogen_Bond_Acceptor_Count	12
58501	Total_Formal_Charge	0
163090690	Exact_Mass	842.51400504
2809	XLogP3	3.3
45456	Molecular_Weight	291.5
25429	Undefined_Bond_Stereo_Count	0
3331	Undefined_Bond_Stereo_Count	0
178024	Hydrogen_Bond_Acceptor_Count	7
16217852	Non-hydrogen_Atom_Count	9
20542	Total_Formal_Charge	0
3899541	Structure_Complexity	386
60196397	Hydrogen_Bond_Donor_Count	0
4026	Defined_Atom_Stereo_Count	0
193846	Defined_Bond_Stereo_Count	0
619387	Undefined_Atom_Stereo_Count	1
11979704	Tautomer_Count	1
48011	Rotatable_Bond_Count	12
5148195	Hydrogen_Bond_Donor_Count	0
17928	Defined_Atom_Stereo_Count	0
145937	Total_Formal_Charge	0
59810317	Mono_Isotopic_Weight	97.052763847
85296	Mono_Isotopic_Weight	147.08301860
74626	Molecular_Weight	122.12
20912	TPSA	23.8
28080	Rotatable_Bond_Count	9
3010818	Exact_Mass	679.40573244
71335	Hydrogen_Bond_Acceptor_Count	7
69986	Mono_Isotopic_Weight	139.026943022
101626738	Undefined_Atom_Stereo_Count	0
27552	Defined_Atom_Stereo_Count	0
41897	Exact_Mass	211.1127773
110785	Hydrogen_Bond_Donor_Count	0
27375	XLogP3	2.4
13349549	Defined_Atom_Stereo_Count	0
1097	Total_Formal_Charge	0
138394156	Undefined_Bond_Stereo_Count	0
23158380	Exact_Mass	116.083729621
135515574	Defined_Atom_Stereo_Count	0
101191397	Hydrogen_Bond_Acceptor_Count	2
70687254	Defined_Bond_Stereo_Count	0
519543	TPSA	52.6
5514	Total_Formal_Charge	0
36858	Defined_Atom_Stereo_Count	0
160528942	Covalent_Unit_Count	1
57498458	Mono_Isotopic_Weight	357.13247072
5281888	Structure_Complexity	693
60960	Non-hydrogen_Atom_Count	8
7057961	Defined_Bond_Stereo_Count	0
7516	Undefined_Bond_Stereo_Count	0
3777650	Isotope_Atom_Count	0
11955855	Rotatable_Bond_Count	5
6083100	Rotatable_Bond_Count	2
6854	Non-hydrogen_Atom_Count	13
244030	Hydrogen_Bond_Donor_Count	0
10349	Undefined_Bond_Stereo_Count	0
15204529	Structure_Complexity	107
75412604	Hydrogen_Bond_Acceptor_Count	13
16219127	Hydrogen_Bond_Acceptor_Count	6
7482	Covalent_Unit_Count	1
114905	Rotatable_Bond_Count	14
1471380	Hydrogen_Bond_Acceptor_Count	5
941651	Undefined_Atom_Stereo_Count	0
8599	Structure_Complexity	583
13834698	Undefined_Bond_Stereo_Count	0
54025111	Undefined_Bond_Stereo_Count	0
54761305	XLogP3-AA	2.6
49778730	Molecular_Weight	448.5
36798	XLogP3	1.3
6957672	Covalent_Unit_Count	1
42796	Undefined_Bond_Stereo_Count	0
6327846	Covalent_Unit_Count	2
85960305	Rotatable_Bond_Count	1
8573	Defined_Bond_Stereo_Count	0
13991585	Covalent_Unit_Count	1
31353	Defined_Atom_Stereo_Count	0
9810601	Hydrogen_Bond_Acceptor_Count	14
53903478	Molecular_Weight	197.26
24848321	Non-hydrogen_Atom_Count	21
102426	Exact_Mass	297.1495567
117072582	Molecular_Weight	358.5
1565	Defined_Bond_Stereo_Count	0
31515	Undefined_Bond_Stereo_Count	0
73658	Exact_Mass	811.47314329
4397	Defined_Bond_Stereo_Count	0
6301	Defined_Bond_Stereo_Count	0
970	Hydrogen_Bond_Acceptor_Count	5
154416437	Undefined_Atom_Stereo_Count	2
25422	TPSA	13.1
111878	TPSA	35.2
148837046	Hydrogen_Bond_Donor_Count	1
40466932	Defined_Atom_Stereo_Count	2
984396	Rotatable_Bond_Count	8
53232849	TPSA	21.6
46214236	Structure_Complexity	1660
138756126	Defined_Atom_Stereo_Count	2
107977	Covalent_Unit_Count	1
50023	TPSA	62.8
9917013	Hydrogen_Bond_Donor_Count	2
5746	Defined_Bond_Stereo_Count	0
51030896	Non-hydrogen_Atom_Count	31
54688694	Isotope_Atom_Count	0
167724	Hydrogen_Bond_Donor_Count	1
151707353	Total_Formal_Charge	0
185902	Undefined_Bond_Stereo_Count	0
88396	Hydrogen_Bond_Acceptor_Count	3
161656	Tautomer_Count	1
22459	Non-hydrogen_Atom_Count	6
11040632	Total_Formal_Charge	0
9709	Mono_Isotopic_Weight	129.03900549
13012673	Molecular_Weight	71.08
129829002	TPSA	47
533909	TPSA	35.2
129885959	Structure_Complexity	1120
11207217	Isotope_Atom_Count	0
62416539	XLogP3-AA	0.5
2984	Undefined_Atom_Stereo_Count	0
79724	Hydrogen_Bond_Donor_Count	2
135413505	Hydrogen_Bond_Acceptor_Count	8
49852291	Hydrogen_Bond_Acceptor_Count	6
101148	Mono_Isotopic_Weight	152.083729621
36149	TPSA	93.1
58024981	TPSA	50.9
53904133	Total_Formal_Charge	0
21916	TPSA	12.5
16219371	Rotatable_Bond_Count	4
131634907	Isotope_Atom_Count	0
9883933	Total_Formal_Charge	0
11690378	Structure_Complexity	624
9984	Defined_Atom_Stereo_Count	0
14759	Defined_Bond_Stereo_Count	0
136255	Hydrogen_Bond_Acceptor_Count	3
124009720	Defined_Bond_Stereo_Count	0
11843834	Undefined_Atom_Stereo_Count	0
125	Mono_Isotopic_Weight	124.052429494
5284443	Hydrogen_Bond_Donor_Count	4
245	Hydrogen_Bond_Acceptor_Count	11
138404422	Undefined_Bond_Stereo_Count	0
17779928	Covalent_Unit_Count	1
13176	Exact_Mass	92.062600255
2683	Isotope_Atom_Count	0
39800	Rotatable_Bond_Count	0
53970191	XLogP3-AA	1.7
13551	Total_Formal_Charge	0
21624254	Structure_Complexity	68.5
12805738	Structure_Complexity	144
13367	XLogP3-AA	1.2
735091	Undefined_Bond_Stereo_Count	0
21343689	Hydrogen_Bond_Acceptor_Count	0
57514167	TPSA	67.5
16217852	XLogP3-AA	0.4
194953	Exact_Mass	202.09535693
14985552	Undefined_Atom_Stereo_Count	0
440577	Isotope_Atom_Count	0
33539	Undefined_Atom_Stereo_Count	4
95883	Exact_Mass	161.06880783
20072023	Defined_Bond_Stereo_Count	0
54394834	Rotatable_Bond_Count	7
59296000	XLogP3-AA	3.8
5366266	Covalent_Unit_Count	1
146157727	Isotope_Atom_Count	0
4675622	Hydrogen_Bond_Acceptor_Count	4
20714804	Defined_Bond_Stereo_Count	0
10497540	XLogP3-AA	0.7
12487261	Hydrogen_Bond_Donor_Count	1
76335	Hydrogen_Bond_Donor_Count	0
123650722	Structure_Complexity	1220
3016	Undefined_Atom_Stereo_Count	0
521	TPSA	409
78035	Non-hydrogen_Atom_Count	6
22934413	Isotope_Atom_Count	0
56644402	Mono_Isotopic_Weight	382.17936134
119097769	Structure_Complexity	125
20072023	Exact_Mass	116.047344113
57396213	Hydrogen_Bond_Donor_Count	2
98626	Undefined_Bond_Stereo_Count	0
6476333	Mono_Isotopic_Weight	624.20542044
162639102	Mono_Isotopic_Weight	411.00600498
28674	Isotope_Atom_Count	0
11644097	Defined_Bond_Stereo_Count	0
9865514	Non-hydrogen_Atom_Count	30
166718	TPSA	27.3
5488186	Hydrogen_Bond_Acceptor_Count	4
53398649	Defined_Atom_Stereo_Count	0
12144388	Non-hydrogen_Atom_Count	8
14440271	Defined_Atom_Stereo_Count	0
7078557	Exact_Mass	410.24570956
122	Isotope_Atom_Count	0
75979	Hydrogen_Bond_Acceptor_Count	2
4168142	Rotatable_Bond_Count	8
64655	TPSA	86.2
71455276	Undefined_Bond_Stereo_Count	0
7530950	Isotope_Atom_Count	0
69885	Undefined_Bond_Stereo_Count	0
76336793	Structure_Complexity	756
41515	Hydrogen_Bond_Donor_Count	0
91867648	Molecular_Weight	13.005739
146159752	Structure_Complexity	688
398675	Molecular_Weight	461.6
14103059	Molecular_Weight	897.2
20200448	Undefined_Bond_Stereo_Count	0
54757209	Exact_Mass	508.1699750
56851705	Hydrogen_Bond_Donor_Count	3
63009	Non-hydrogen_Atom_Count	21
33606	Covalent_Unit_Count	1
11000	XLogP3	2.6
129627254	Non-hydrogen_Atom_Count	45
91280177	TPSA	0
11137094	Mono_Isotopic_Weight	94.078250319
44422352	Defined_Bond_Stereo_Count	0
13306871	Tautomer_Count	1
5334356	Covalent_Unit_Count	1
90429111	Total_Formal_Charge	0
442070	Tautomer_Count	3
440728	Molecular_Weight	147.13
12421370	Structure_Complexity	14
23688461	Isotope_Atom_Count	0
133728	Hydrogen_Bond_Donor_Count	2
10785752	Mono_Isotopic_Weight	376.15354051
138264	Tautomer_Count	1
9279	Defined_Atom_Stereo_Count	0
24766296	Mono_Isotopic_Weight	686.30507491
556035	Tautomer_Count	1
12116847	Hydrogen_Bond_Acceptor_Count	4
11561538	Defined_Bond_Stereo_Count	0
70684	Total_Formal_Charge	0
94310	Covalent_Unit_Count	1
74348	Defined_Atom_Stereo_Count	0
611834	Rotatable_Bond_Count	1
20483578	Molecular_Weight	112.13
11675641	Undefined_Atom_Stereo_Count	0
26650	Mono_Isotopic_Weight	307.17835828
688938	Structure_Complexity	394
4928	Undefined_Atom_Stereo_Count	0
2117002	Total_Formal_Charge	0
15789550	Structure_Complexity	68.5
7020657	Undefined_Bond_Stereo_Count	0
5460389	Undefined_Bond_Stereo_Count	0
14180	Hydrogen_Bond_Acceptor_Count	8
17882607	Hydrogen_Bond_Donor_Count	0
231010	Molecular_Weight	263.29
249006	Hydrogen_Bond_Donor_Count	2
96237	XLogP3	0.2
45116667	TPSA	31
7356	Total_Formal_Charge	0
450598	Undefined_Bond_Stereo_Count	0
2922	Undefined_Bond_Stereo_Count	2
7370	Mono_Isotopic_Weight	157.01974964
554363	Defined_Atom_Stereo_Count	0
13838145	Defined_Atom_Stereo_Count	0
927764	TPSA	73.5
5368010	Hydrogen_Bond_Acceptor_Count	2
1289	Mono_Isotopic_Weight	349.20015635
9935274	Total_Formal_Charge	0
5488196	Molecular_Weight	236.27
13452201	Non-hydrogen_Atom_Count	7
88715	TPSA	73.5
6925	Undefined_Bond_Stereo_Count	0
86592	TPSA	17.1
423	Undefined_Atom_Stereo_Count	1
86083878	TPSA	0
3871454	Structure_Complexity	548
2724103	Isotope_Atom_Count	0
15180	Non-hydrogen_Atom_Count	17
6992027	Defined_Bond_Stereo_Count	0
21917771	Rotatable_Bond_Count	0
422	Hydrogen_Bond_Acceptor_Count	10
6420138	Isotope_Atom_Count	0
10351178	Undefined_Atom_Stereo_Count	17
398517	XLogP3-AA	2.5
61375	Molecular_Weight	156.22
11779772	Covalent_Unit_Count	2
10870	Exact_Mass	134.109550447
80045	XLogP3	1.9
5877292	Molecular_Weight	190.24
1179	Hydrogen_Bond_Acceptor_Count	16
76548	Exact_Mass	164.131348519
139062655	Mono_Isotopic_Weight	534.2033832
9865961	Rotatable_Bond_Count	7
42713	Undefined_Bond_Stereo_Count	0
5748152	Exact_Mass	324.183778013
5288600	Total_Formal_Charge	0
53661221	Molecular_Weight	99.17
63179	Exact_Mass	513.21647512
6603	Mono_Isotopic_Weight	155.167399674
12702413	Undefined_Atom_Stereo_Count	0
9603	Mono_Isotopic_Weight	110.053178385
2852	Defined_Bond_Stereo_Count	0
13018409	Rotatable_Bond_Count	0
156497240	Isotope_Atom_Count	0
453307	Molecular_Weight	254.29
59015080	Structure_Complexity	382
13783517	Total_Formal_Charge	0
7045767	Defined_Bond_Stereo_Count	0
44134949	Defined_Bond_Stereo_Count	0
77171	Exact_Mass	560.18669111
20324725	Undefined_Bond_Stereo_Count	0
179336	Undefined_Bond_Stereo_Count	0
7318	Exact_Mass	183.01677226
5289590	Hydrogen_Bond_Donor_Count	4
22561495	Structure_Complexity	192
909	Undefined_Atom_Stereo_Count	1
45488116	Isotope_Atom_Count	0
20673	Covalent_Unit_Count	2
12502754	Isotope_Atom_Count	0
14872190	Defined_Bond_Stereo_Count	0
5707	Total_Formal_Charge	0
94179	Undefined_Atom_Stereo_Count	0
11335094	Exact_Mass	284.16237386
6432198	Mono_Isotopic_Weight	222.173213330
3033017	Tautomer_Count	3
123171678	Isotope_Atom_Count	0
243274	Isotope_Atom_Count	0
140535901	Undefined_Bond_Stereo_Count	0
54682651	TPSA	63.6
6368	Undefined_Atom_Stereo_Count	0
987	Structure_Complexity	427
11632737	Mono_Isotopic_Weight	401.11218768
5362376	Undefined_Atom_Stereo_Count	0
33013	Rotatable_Bond_Count	5
27893	Defined_Atom_Stereo_Count	0
439498	Mono_Isotopic_Weight	178.04121336
155893809	Mono_Isotopic_Weight	114.068079557
6322	Mono_Isotopic_Weight	174.11167570
11480403	Defined_Bond_Stereo_Count	0
13299177	Structure_Complexity	111
3045375	Mono_Isotopic_Weight	448.1553704
92326	Total_Formal_Charge	0
69588	Defined_Atom_Stereo_Count	0
10255241	Covalent_Unit_Count	1
136649217	Undefined_Atom_Stereo_Count	3
9973	Defined_Atom_Stereo_Count	0
90707927	Molecular_Weight	108.18
19602	TPSA	13.1
9866186	Rotatable_Bond_Count	4
71311337	Tautomer_Count	1
6914	Non-hydrogen_Atom_Count	10
90957864	Total_Formal_Charge	0
83782	Undefined_Atom_Stereo_Count	0
24950485	Hydrogen_Bond_Acceptor_Count	10
2829432	Isotope_Atom_Count	0
23676735	Defined_Atom_Stereo_Count	0
56935	Hydrogen_Bond_Acceptor_Count	4
378532	Molecular_Weight	206.15
13243	Mono_Isotopic_Weight	181.03750770
10953450	Molecular_Weight	110.11
25195346	Undefined_Atom_Stereo_Count	0
47326	Mono_Isotopic_Weight	349.16779360
10633	Defined_Atom_Stereo_Count	7
123377064	Rotatable_Bond_Count	0
141329202	Rotatable_Bond_Count	0
9793773	Undefined_Bond_Stereo_Count	0
13638937	Molecular_Weight	257.23
153816117	Hydrogen_Bond_Donor_Count	0
20132002	Hydrogen_Bond_Donor_Count	1
99560	Hydrogen_Bond_Acceptor_Count	4
117120	Isotope_Atom_Count	0
32603	Exact_Mass	504.1462019
590908	Isotope_Atom_Count	0
12021	Mono_Isotopic_Weight	90.031694049
118098295	Hydrogen_Bond_Acceptor_Count	11
62343	Defined_Bond_Stereo_Count	0
5289373	TPSA	97.7
2728270	Undefined_Atom_Stereo_Count	3
54726514	Molecular_Weight	634.6
54427	Molecular_Weight	263.29
9812790	Hydrogen_Bond_Donor_Count	0
26124	Undefined_Atom_Stereo_Count	0
25271812	Isotope_Atom_Count	0
450598	TPSA	83.6
69808	Molecular_Weight	114.26
8230	Molecular_Weight	1084.2
44339779	Total_Formal_Charge	0
18989672	Hydrogen_Bond_Acceptor_Count	0
93205	Rotatable_Bond_Count	6
6419888	Hydrogen_Bond_Donor_Count	2
10475	Molecular_Weight	133.886
3012	Undefined_Atom_Stereo_Count	0
15629522	Hydrogen_Bond_Acceptor_Count	2
36750	Molecular_Weight	341.4
42761	XLogP3	3.7
66327	Total_Formal_Charge	0
24199313	Rotatable_Bond_Count	12
7656	Covalent_Unit_Count	1
7846	Undefined_Bond_Stereo_Count	0
4640	Total_Formal_Charge	0
142755	Exact_Mass	114.068079557
85299214	Defined_Bond_Stereo_Count	0
477	Defined_Atom_Stereo_Count	0
62452	Undefined_Bond_Stereo_Count	0
33558	Undefined_Bond_Stereo_Count	0
16202184	Covalent_Unit_Count	1
21364	Hydrogen_Bond_Donor_Count	0
11534	Rotatable_Bond_Count	0
5320621	Structure_Complexity	376
86287524	TPSA	17.1
29971	Rotatable_Bond_Count	2
40399	Structure_Complexity	349
3384	Rotatable_Bond_Count	1
20519089	Molecular_Weight	351.0
4068533	Defined_Atom_Stereo_Count	0
14535399	Undefined_Atom_Stereo_Count	1
259381	Hydrogen_Bond_Acceptor_Count	2
16061135	Covalent_Unit_Count	1
135413538	Molecular_Weight	614.4
130142668	Isotope_Atom_Count	0
57410	Molecular_Weight	436.14
100524	Hydrogen_Bond_Acceptor_Count	6
2461	Covalent_Unit_Count	1
32593	Mono_Isotopic_Weight	371.16968530
10238	Exact_Mass	427.01989983
21252133	Non-hydrogen_Atom_Count	8
89152969	Structure_Complexity	78.5
684	Hydrogen_Bond_Acceptor_Count	16
5459784	Tautomer_Count	1
17736	Undefined_Atom_Stereo_Count	0
24838	Undefined_Atom_Stereo_Count	1
91528	Undefined_Atom_Stereo_Count	1
414773	Undefined_Atom_Stereo_Count	0
24848788	Structure_Complexity	156
87279996	Hydrogen_Bond_Donor_Count	1
466	Non-hydrogen_Atom_Count	16
19606817	Molecular_Weight	96.13
54023535	XLogP3-AA	1.7
171018	Total_Formal_Charge	0
17860	Hydrogen_Bond_Donor_Count	0
492405	Tautomer_Count	7
448055	Defined_Bond_Stereo_Count	0
61594	Hydrogen_Bond_Acceptor_Count	1
13445099	Undefined_Atom_Stereo_Count	0
10034991	TPSA	49.7
78075	Hydrogen_Bond_Acceptor_Count	7
13973341	Exact_Mass	115.099714038
129627812	Total_Formal_Charge	0
25335	Exact_Mass	199.157228913
222155	XLogP3	0.8
441451	Isotope_Atom_Count	0
49864603	Mono_Isotopic_Weight	374.1309671
68783	Defined_Atom_Stereo_Count	6
542420	TPSA	38
41043	Exact_Mass	190.04121336
53465	Hydrogen_Bond_Acceptor_Count	4
12205389	Isotope_Atom_Count	1
127909	Hydrogen_Bond_Acceptor_Count	4
53316398	Hydrogen_Bond_Donor_Count	3
742	Isotope_Atom_Count	0
133662561	Molecular_Weight	182.14
18766735	Isotope_Atom_Count	0
154544	Mono_Isotopic_Weight	231.08954328
3876660	Defined_Bond_Stereo_Count	0
737804	Defined_Bond_Stereo_Count	0
21583979	Total_Formal_Charge	1
22768309	Structure_Complexity	78.5
435	Hydrogen_Bond_Donor_Count	1
509554	Exact_Mass	356.16371127
56972160	Undefined_Bond_Stereo_Count	0
14116454	Hydrogen_Bond_Acceptor_Count	2
13437467	Defined_Bond_Stereo_Count	0
118505252	Structure_Complexity	113
85944292	Undefined_Atom_Stereo_Count	0
2512	Hydrogen_Bond_Acceptor_Count	4
11656518	Rotatable_Bond_Count	5
14280898	Hydrogen_Bond_Donor_Count	2
17168	Covalent_Unit_Count	1
31398	Non-hydrogen_Atom_Count	8
167807	Undefined_Atom_Stereo_Count	4
137321858	Structure_Complexity	982
11829372	Total_Formal_Charge	0
3831985	Exact_Mass	440.23583084
18506394	Covalent_Unit_Count	1
13213307	Total_Formal_Charge	0
129539	Hydrogen_Bond_Donor_Count	0
11698194	XLogP3-AA	6.2
135564751	Structure_Complexity	737
107676	Covalent_Unit_Count	3
12497562	Undefined_Atom_Stereo_Count	1
10409873	Hydrogen_Bond_Acceptor_Count	7
66970	Defined_Bond_Stereo_Count	0
11317883	Total_Formal_Charge	0
40784491	Undefined_Atom_Stereo_Count	0
7487	TPSA	62.9
322968	Mono_Isotopic_Weight	185.10519334
3437285	Defined_Atom_Stereo_Count	0
6788	Rotatable_Bond_Count	22
197344	Defined_Atom_Stereo_Count	0
10995	Non-hydrogen_Atom_Count	7
101863	Covalent_Unit_Count	1
443777	Mono_Isotopic_Weight	192.078644241
2466	Total_Formal_Charge	0
11147714	Undefined_Atom_Stereo_Count	0
74989	Defined_Atom_Stereo_Count	0
123385940	Exact_Mass	110.073164938
10820489	Undefined_Bond_Stereo_Count	0
10833710	Tautomer_Count	9
44404642	TPSA	95.2
60196397	Mono_Isotopic_Weight	724.59570474
4084	Hydrogen_Bond_Acceptor_Count	6
15110788	Defined_Atom_Stereo_Count	0
101641111	Undefined_Atom_Stereo_Count	0
57656715	XLogP3-AA	3.5
5329	Rotatable_Bond_Count	3
44565776	Undefined_Bond_Stereo_Count	0
7698	Hydrogen_Bond_Acceptor_Count	4
91986	Defined_Bond_Stereo_Count	0
131709225	Tautomer_Count	11
13049377	Mono_Isotopic_Weight	114.068079557
102515495	Isotope_Atom_Count	0
69610	Mono_Isotopic_Weight	99.98895804
101946434	TPSA	0
30541	Molecular_Weight	277.4
77016	Hydrogen_Bond_Acceptor_Count	4
16323	Structure_Complexity	141
11843834	Isotope_Atom_Count	0
10290734	Isotope_Atom_Count	0
138107566	Exact_Mass	416.32904526
61007	XLogP3	2.1
6451144	Tautomer_Count	1
54545143	Hydrogen_Bond_Acceptor_Count	1
136097	Exact_Mass	111.104799419
23721821	Hydrogen_Bond_Acceptor_Count	9
162059	Structure_Complexity	110
94343	Hydrogen_Bond_Donor_Count	0
57121306	Isotope_Atom_Count	0
3033031	Isotope_Atom_Count	0
7486	Defined_Bond_Stereo_Count	0
61719	Structure_Complexity	444
57395974	Exact_Mass	442.33077660
3037206	Defined_Atom_Stereo_Count	12
1549073	Defined_Bond_Stereo_Count	0
3008	Hydrogen_Bond_Donor_Count	0
18608	Rotatable_Bond_Count	5
41331	Molecular_Weight	144.12
5208	Rotatable_Bond_Count	3
54405	Exact_Mass	441.02840
11332423	Hydrogen_Bond_Donor_Count	2
529432	Undefined_Bond_Stereo_Count	0
22041940	Non-hydrogen_Atom_Count	7
23253564	Hydrogen_Bond_Donor_Count	3
11240433	Undefined_Atom_Stereo_Count	1
233706	Defined_Atom_Stereo_Count	2
74233	TPSA	20.2
91236903	Mono_Isotopic_Weight	110.109550447
5284631	Total_Formal_Charge	0
7110	Isotope_Atom_Count	0
3309	Total_Formal_Charge	0
165598	Exact_Mass	177.04596439
134613	Molecular_Weight	270.28
135423771	Rotatable_Bond_Count	2
141019	Exact_Mass	98.036779430
449459	Defined_Bond_Stereo_Count	1
5460541	Undefined_Atom_Stereo_Count	0
65427	Rotatable_Bond_Count	1
16732313	Isotope_Atom_Count	0
135080	Mono_Isotopic_Weight	253.011769
441113	XLogP3-AA	1.8
63833	Structure_Complexity	638
2645	XLogP3	0.6
40512	Undefined_Bond_Stereo_Count	0
85904461	Isotope_Atom_Count	0
46693	Defined_Atom_Stereo_Count	0
2829715	Total_Formal_Charge	0
9570639	Non-hydrogen_Atom_Count	28
10558	Covalent_Unit_Count	1
53806072	Undefined_Bond_Stereo_Count	0
25137901	Undefined_Bond_Stereo_Count	0
453915	Rotatable_Bond_Count	1
57156265	Hydrogen_Bond_Donor_Count	0
10964444	Hydrogen_Bond_Donor_Count	1
53936618	Isotope_Atom_Count	0
124809080	Mono_Isotopic_Weight	527.23263824
602261	Rotatable_Bond_Count	5
1437838	TPSA	37.4
5310983	Isotope_Atom_Count	0
86233	Non-hydrogen_Atom_Count	22
139488	Tautomer_Count	2
12872197	XLogP3-AA	0
10197668	Mono_Isotopic_Weight	117.078978594
8078	Exact_Mass	84.093900383
59227	Hydrogen_Bond_Donor_Count	1
71541083	Undefined_Bond_Stereo_Count	0
120303	Hydrogen_Bond_Donor_Count	0
26928	Defined_Bond_Stereo_Count	0
13522	Rotatable_Bond_Count	8
28346	Structure_Complexity	432
22522	Covalent_Unit_Count	1
36547	Total_Formal_Charge	0
119097373	Hydrogen_Bond_Donor_Count	1
153805791	Hydrogen_Bond_Acceptor_Count	3
70627	Structure_Complexity	236
14119	Defined_Bond_Stereo_Count	0
637563	Mono_Isotopic_Weight	148.088815002
12904	Rotatable_Bond_Count	6
163838	Exact_Mass	713.2632801
168131	Defined_Atom_Stereo_Count	0
13939519	Structure_Complexity	90.5
139291730	Undefined_Bond_Stereo_Count	0
91027594	Hydrogen_Bond_Acceptor_Count	0
31268	Defined_Atom_Stereo_Count	0
23675320	Mono_Isotopic_Weight	457.0475138
23680518	Defined_Atom_Stereo_Count	7
11655595	XLogP3	0
5378597	Undefined_Bond_Stereo_Count	0
13736253	Defined_Atom_Stereo_Count	0
6506250	Undefined_Atom_Stereo_Count	1
16628	Total_Formal_Charge	0
13400858	Undefined_Atom_Stereo_Count	1
694	Isotope_Atom_Count	0
31917	Defined_Atom_Stereo_Count	0
11153672	Covalent_Unit_Count	1
54751657	Exact_Mass	493.1615779
5460094	Exact_Mass	527.23263824
5948958	XLogP3-AA	6.4
132274070	Rotatable_Bond_Count	11
22645860	Hydrogen_Bond_Acceptor_Count	3
32798	Defined_Bond_Stereo_Count	0
5282474	Non-hydrogen_Atom_Count	35
544380	Non-hydrogen_Atom_Count	10
20056626	Mono_Isotopic_Weight	242.13002836
44149909	Mono_Isotopic_Weight	691.39449905
8369	Exact_Mass	126.031694049
114911	Undefined_Bond_Stereo_Count	0
10329304	Hydrogen_Bond_Donor_Count	0
2733352	Undefined_Bond_Stereo_Count	0
34769	Total_Formal_Charge	0
10066275	XLogP3-AA	3.2
57514051	Mono_Isotopic_Weight	1024.3123164
71221	Hydrogen_Bond_Donor_Count	1
16738693	Molecular_Weight	430.4
10355130	Molecular_Weight	257.76
99472	Defined_Bond_Stereo_Count	0
2898	Undefined_Atom_Stereo_Count	0
53387026	Total_Formal_Charge	0
7711	Hydrogen_Bond_Donor_Count	0
57402175	Covalent_Unit_Count	1
23519822	Hydrogen_Bond_Donor_Count	3
20206342	Mono_Isotopic_Weight	83.037113783
16211460	Total_Formal_Charge	0
9249	Structure_Complexity	91.2
10818	Rotatable_Bond_Count	1
1549991	Mono_Isotopic_Weight	100.088815002
3446	Undefined_Atom_Stereo_Count	0
1242943	Undefined_Atom_Stereo_Count	0
129655960	Total_Formal_Charge	0
778	Isotope_Atom_Count	0
16987	Total_Formal_Charge	0
250451	Undefined_Atom_Stereo_Count	0
16322	Non-hydrogen_Atom_Count	13
131839611	Rotatable_Bond_Count	5
56673551	Exact_Mass	454.20049070
13776	Covalent_Unit_Count	3
13618	Mono_Isotopic_Weight	195.924948
9883149	Defined_Bond_Stereo_Count	0
28810	Hydrogen_Bond_Donor_Count	1
406167	TPSA	120
11237985	Defined_Bond_Stereo_Count	0
1598	Defined_Atom_Stereo_Count	0
87279973	Exact_Mass	111.032028402
431249	Exact_Mass	379.193614421
304265	Total_Formal_Charge	0
89683805	Hydrogen_Bond_Donor_Count	3
4062	Mono_Isotopic_Weight	246.173213330
3031	Undefined_Atom_Stereo_Count	0
66903	Total_Formal_Charge	0
10217	Exact_Mass	337.13140809
84979	Exact_Mass	126.90308
123071	Hydrogen_Bond_Donor_Count	1
5554	Exact_Mass	520.39164552
43976	Covalent_Unit_Count	1
97780	Structure_Complexity	164
91688	Tautomer_Count	1
7756	Covalent_Unit_Count	1
50293	Hydrogen_Bond_Acceptor_Count	1
9889867	Isotope_Atom_Count	0
14947250	Undefined_Atom_Stereo_Count	0
44419240	Exact_Mass	341.11979803
57416910	Hydrogen_Bond_Donor_Count	0
12695798	Covalent_Unit_Count	1
3478696	XLogP3-AA	0
650201	Structure_Complexity	682
449293	XLogP3-AA	0.8
8315	Hydrogen_Bond_Acceptor_Count	2
5353422	Exact_Mass	460.20971797
19789137	Rotatable_Bond_Count	1
101626738	Isotope_Atom_Count	0
58097518	Exact_Mass	98.036779430
43594	Isotope_Atom_Count	0
9874875	Hydrogen_Bond_Donor_Count	1
10200813	Mono_Isotopic_Weight	397.14378429
10507011	Undefined_Bond_Stereo_Count	0
655797	XLogP3-AA	1.8
7271	Hydrogen_Bond_Donor_Count	1
18732	Exact_Mass	187.0530695
528	Non-hydrogen_Atom_Count	11
49864603	Rotatable_Bond_Count	6
5479527	Hydrogen_Bond_Donor_Count	3
3823887	Structure_Complexity	1700
25008767	Undefined_Atom_Stereo_Count	0
979	Undefined_Atom_Stereo_Count	0
138106951	Mono_Isotopic_Weight	803.48197664
69963	Tautomer_Count	1
20274687	Rotatable_Bond_Count	0
134717663	Hydrogen_Bond_Acceptor_Count	16
88283211	Rotatable_Bond_Count	3
41794	Rotatable_Bond_Count	2
10909430	Exact_Mass	1421.74894144
411051	Hydrogen_Bond_Acceptor_Count	2
151473	Non-hydrogen_Atom_Count	14
10307850	Defined_Atom_Stereo_Count	0
76344	Structure_Complexity	248
9971484	Covalent_Unit_Count	1
22762494	Total_Formal_Charge	0
132992789	Defined_Atom_Stereo_Count	0
13112141	Rotatable_Bond_Count	0
18447	Hydrogen_Bond_Donor_Count	1
24900749	Defined_Atom_Stereo_Count	1
37642	TPSA	23.6
57183917	Exact_Mass	111.032028402
7500	Molecular_Weight	106.16
11957572	TPSA	212
6479653	TPSA	355
145994360	Undefined_Atom_Stereo_Count	0
85802	Molecular_Weight	749.6
122198135	Total_Formal_Charge	0
13009	Defined_Bond_Stereo_Count	0
8882	Rotatable_Bond_Count	0
73949	Tautomer_Count	2
70381	Tautomer_Count	2
637593	Covalent_Unit_Count	1
21057641	Hydrogen_Bond_Donor_Count	4
6950578	Molecular_Weight	181.19
3980	Undefined_Atom_Stereo_Count	10
99646540	Exact_Mass	284.16237386
53973376	Hydrogen_Bond_Donor_Count	1
10658	TPSA	39.4
1268142	Defined_Atom_Stereo_Count	3
61347	Hydrogen_Bond_Acceptor_Count	1
138375814	Isotope_Atom_Count	0
58190401	Undefined_Atom_Stereo_Count	0
89253146	Undefined_Bond_Stereo_Count	0
8875	Structure_Complexity	451
21343371	Covalent_Unit_Count	1
16130571	Tautomer_Count	1001
44462985	Defined_Bond_Stereo_Count	0
12956086	Undefined_Atom_Stereo_Count	0
24561	Structure_Complexity	2
71713950	Defined_Bond_Stereo_Count	0
40000	Rotatable_Bond_Count	4
693050	Defined_Atom_Stereo_Count	1
71773446	Rotatable_Bond_Count	6
638079	Exact_Mass	110.109550447
23932	TPSA	0
19651	Isotope_Atom_Count	0
22833307	Rotatable_Bond_Count	6
2727	Hydrogen_Bond_Acceptor_Count	3
11477442	Total_Formal_Charge	0
12161	Mono_Isotopic_Weight	118.078250319
70751	Total_Formal_Charge	0
32742	Hydrogen_Bond_Acceptor_Count	2
659009	Undefined_Bond_Stereo_Count	0
65417277	Molecular_Weight	114.11
81920	Non-hydrogen_Atom_Count	13
139211202	Mono_Isotopic_Weight	679.44075943
6453497	Molecular_Weight	329.8
4066	Tautomer_Count	1
47660	Structure_Complexity	437
11081093	Non-hydrogen_Atom_Count	33
5486194	Rotatable_Bond_Count	8
121540648	Undefined_Atom_Stereo_Count	0
9886249	Structure_Complexity	698
5282948	Non-hydrogen_Atom_Count	21
140695	Defined_Atom_Stereo_Count	0
164282	Covalent_Unit_Count	1
6917941	Hydrogen_Bond_Acceptor_Count	3
2811	TPSA	60.9
66840	Hydrogen_Bond_Acceptor_Count	3
53304446	Undefined_Atom_Stereo_Count	0
52542	Total_Formal_Charge	0
23702	Hydrogen_Bond_Donor_Count	5
6438135	Structure_Complexity	1280
220878	Isotope_Atom_Count	0
14644797	Molecular_Weight	115.13
131238	Total_Formal_Charge	0
32698	Total_Formal_Charge	0
97289	Defined_Bond_Stereo_Count	0
5289284	Isotope_Atom_Count	0
4714967	Isotope_Atom_Count	0
69957602	Hydrogen_Bond_Donor_Count	1
53728	Hydrogen_Bond_Donor_Count	0
13757963	Defined_Bond_Stereo_Count	0
64966	Undefined_Bond_Stereo_Count	0
11545464	Undefined_Atom_Stereo_Count	0
20607916	Hydrogen_Bond_Donor_Count	0
55466	Undefined_Atom_Stereo_Count	0
421442	Covalent_Unit_Count	1
59390227	Isotope_Atom_Count	0
5241	Molecular_Weight	597.96
4561	Covalent_Unit_Count	1
12289998	Covalent_Unit_Count	1
16971	Defined_Atom_Stereo_Count	0
131704233	Exact_Mass	263.129694
25381	Total_Formal_Charge	0
91746262	Structure_Complexity	382
18616487	Covalent_Unit_Count	1
155804760	Defined_Atom_Stereo_Count	0
37968	Tautomer_Count	2
10143016	TPSA	87.3
136649	Structure_Complexity	113
1549000	Mono_Isotopic_Weight	388.1553704
13316167	Non-hydrogen_Atom_Count	11
98324	Undefined_Atom_Stereo_Count	1
3086319	XLogP3-AA	2.6
824336	Hydrogen_Bond_Acceptor_Count	5
21868057	Isotope_Atom_Count	0
76355	Hydrogen_Bond_Donor_Count	0
11817188	Defined_Atom_Stereo_Count	0
91259187	Exact_Mass	94.078250319
701083	TPSA	95.6
3401849	Isotope_Atom_Count	0
157610150	Undefined_Atom_Stereo_Count	2
60196431	Total_Formal_Charge	0
129846869	Defined_Bond_Stereo_Count	0
145188444	TPSA	55.4
63096	Isotope_Atom_Count	0
59516084	Total_Formal_Charge	0
25271790	Hydrogen_Bond_Acceptor_Count	5
23422066	Mono_Isotopic_Weight	162.05416083
15222234	Isotope_Atom_Count	0
101527072	Rotatable_Bond_Count	0
77813014	Defined_Atom_Stereo_Count	0
167297	Molecular_Weight	660.7
11545	Defined_Bond_Stereo_Count	0
11378472	Hydrogen_Bond_Donor_Count	2
692791	Defined_Atom_Stereo_Count	1
383414	Mono_Isotopic_Weight	1018.44048069
60196304	Undefined_Atom_Stereo_Count	2
81011	Hydrogen_Bond_Donor_Count	4
6509808	TPSA	135
46187519	Hydrogen_Bond_Donor_Count	1
90041889	Non-hydrogen_Atom_Count	8
88901652	TPSA	38.7
135461001	Exact_Mass	433.13459597
24775	Total_Formal_Charge	0
5460822	Covalent_Unit_Count	1
102059952	Hydrogen_Bond_Donor_Count	3
22829	Structure_Complexity	593
15595	Defined_Bond_Stereo_Count	0
793266	Mono_Isotopic_Weight	262.0621387
6420057	Tautomer_Count	1
8434	Defined_Bond_Stereo_Count	0
76344	Rotatable_Bond_Count	4
47151	Undefined_Atom_Stereo_Count	0
2423	Defined_Atom_Stereo_Count	0
165646906	Molecular_Weight	108.18
135437	Exact_Mass	183.06604493
128229	TPSA	267
57773	Hydrogen_Bond_Acceptor_Count	3
643833	Total_Formal_Charge	0
38035	Mono_Isotopic_Weight	255.961333
25142313	Covalent_Unit_Count	1
547067	Undefined_Atom_Stereo_Count	1
6426854	TPSA	66.4
10037	Undefined_Atom_Stereo_Count	0
506152	Total_Formal_Charge	0
45358438	XLogP3-AA	3.2
150718	Rotatable_Bond_Count	2
71743843	Structure_Complexity	136
445575	Hydrogen_Bond_Acceptor_Count	3
16218740	Defined_Atom_Stereo_Count	0
167253	Undefined_Atom_Stereo_Count	0
54519	Non-hydrogen_Atom_Count	23
57073922	Undefined_Atom_Stereo_Count	1
6420378	Covalent_Unit_Count	1
13393280	Rotatable_Bond_Count	3
868031	Defined_Atom_Stereo_Count	0
13389	Undefined_Bond_Stereo_Count	0
17277	TPSA	92.8
7117	Rotatable_Bond_Count	1
71584419	Rotatable_Bond_Count	5
71857	Defined_Atom_Stereo_Count	0
19438210	Non-hydrogen_Atom_Count	8
70500258	Undefined_Atom_Stereo_Count	1
10224181	Mono_Isotopic_Weight	424.14230712
129738164	Structure_Complexity	684
44719490	Rotatable_Bond_Count	6
4136	Structure_Complexity	129
70008	Defined_Atom_Stereo_Count	0
96273	Non-hydrogen_Atom_Count	9
135738852	Mono_Isotopic_Weight	842.51400504
272079	Undefined_Atom_Stereo_Count	0
33068	Tautomer_Count	3
13576	XLogP3	3.6
90714454	Exact_Mass	116.083729621
5378	Defined_Atom_Stereo_Count	0
10931397	TPSA	34.5
616	TPSA	185
216294	Total_Formal_Charge	0
71777706	Undefined_Atom_Stereo_Count	0
74236	Tautomer_Count	1
2782	Undefined_Atom_Stereo_Count	0
23216963	Undefined_Atom_Stereo_Count	2
9554198	Covalent_Unit_Count	1
21843641	Isotope_Atom_Count	0
145913182	Undefined_Bond_Stereo_Count	0
3654	Structure_Complexity	413
5353959	Mono_Isotopic_Weight	842.51400504
6669	Mono_Isotopic_Weight	294.12157168
7987	TPSA	71.1
154474669	Mono_Isotopic_Weight	99.068413911
51003564	Undefined_Atom_Stereo_Count	0
58152970	Non-hydrogen_Atom_Count	15
80201	Mono_Isotopic_Weight	210.08920892
56927879	Non-hydrogen_Atom_Count	104
596	Non-hydrogen_Atom_Count	17
411832	Covalent_Unit_Count	1
12291486	Molecular_Weight	104.15
90579	XLogP3	1.5
18626412	Structure_Complexity	63.1
59875983	Total_Formal_Charge	0
65820	Exact_Mass	499.27225866
14454747	XLogP3-AA	1.7
16473	Exact_Mass	328.0648413
9867812	Structure_Complexity	601
927	Exact_Mass	543.07675980
129396765	Undefined_Atom_Stereo_Count	0
57389999	Total_Formal_Charge	0
57397462	Defined_Bond_Stereo_Count	0
56680335	Hydrogen_Bond_Donor_Count	2
159889	Structure_Complexity	315
46325	XLogP3-AA	2.2
10250	Hydrogen_Bond_Donor_Count	2
13353092	Defined_Atom_Stereo_Count	0
20474	Structure_Complexity	107
117	Covalent_Unit_Count	1
2762834	Defined_Bond_Stereo_Count	0
21989159	Rotatable_Bond_Count	20
122313	Mono_Isotopic_Weight	323.12296866
604519	Undefined_Bond_Stereo_Count	0
117488	Exact_Mass	502.45148287
572065	Isotope_Atom_Count	0
58863	Defined_Bond_Stereo_Count	0
11527635	Covalent_Unit_Count	1
12702413	Isotope_Atom_Count	0
6168	Covalent_Unit_Count	1
10798	Defined_Atom_Stereo_Count	0
1471380	Undefined_Atom_Stereo_Count	0
18223	Hydrogen_Bond_Donor_Count	0
6922967	Exact_Mass	166.123189134
59172784	Molecular_Weight	95.14
127030167	Structure_Complexity	1980
5289104	Non-hydrogen_Atom_Count	44
129669846	Defined_Bond_Stereo_Count	0
20983	Total_Formal_Charge	0
77470	Defined_Bond_Stereo_Count	0
21517	Non-hydrogen_Atom_Count	33
413547	Rotatable_Bond_Count	5
3036222	Hydrogen_Bond_Acceptor_Count	2
4284331	Non-hydrogen_Atom_Count	31
31703	Covalent_Unit_Count	1
51299	Structure_Complexity	151
55483	Undefined_Atom_Stereo_Count	0
12895043	Hydrogen_Bond_Acceptor_Count	3
116706	Rotatable_Bond_Count	11
96289	Structure_Complexity	133
138122	Hydrogen_Bond_Donor_Count	1
12302694	Isotope_Atom_Count	0
48000	Structure_Complexity	936
91809622	Rotatable_Bond_Count	10
53315139	Covalent_Unit_Count	1
541623	Mono_Isotopic_Weight	117.078978594
70280758	Rotatable_Bond_Count	4
6603820	TPSA	52.5
57475	Hydrogen_Bond_Donor_Count	2
44477	Tautomer_Count	1
361762	Covalent_Unit_Count	1
71583157	XLogP3-AA	4
101047267	Total_Formal_Charge	0
3752	Molecular_Weight	256.09
820	Undefined_Atom_Stereo_Count	24
54714462	Undefined_Bond_Stereo_Count	0
657014	Structure_Complexity	185
907178	Rotatable_Bond_Count	7
71309128	TPSA	110
7398	Undefined_Atom_Stereo_Count	0
8699	Defined_Atom_Stereo_Count	0
85891258	Defined_Bond_Stereo_Count	0
25273237	Hydrogen_Bond_Donor_Count	2
9023	Non-hydrogen_Atom_Count	6
16759177	Tautomer_Count	13
91759534	Molecular_Weight	225.02
52948146	Hydrogen_Bond_Donor_Count	1
9942725	Mono_Isotopic_Weight	232.10233402
7594067	Mono_Isotopic_Weight	343.10243389
6918026	TPSA	401
10877079	Hydrogen_Bond_Donor_Count	1
517348	Hydrogen_Bond_Acceptor_Count	2
118435360	Structure_Complexity	676
15086	Hydrogen_Bond_Acceptor_Count	0
71718495	Rotatable_Bond_Count	13
99923	Undefined_Atom_Stereo_Count	7
46884664	Isotope_Atom_Count	0
177700	Defined_Bond_Stereo_Count	0
442076	Undefined_Atom_Stereo_Count	1
25022354	Structure_Complexity	558
135611162	Isotope_Atom_Count	0
98685	Undefined_Bond_Stereo_Count	0
9823	Undefined_Bond_Stereo_Count	0
41794	Hydrogen_Bond_Acceptor_Count	2
57825229	Non-hydrogen_Atom_Count	26
22714300	Hydrogen_Bond_Acceptor_Count	1
92237	Non-hydrogen_Atom_Count	20
6450173	Covalent_Unit_Count	5
69333963	Hydrogen_Bond_Acceptor_Count	2
73820465	Exact_Mass	482.15768240
39528	Tautomer_Count	3
11159486	Non-hydrogen_Atom_Count	12
6581	Covalent_Unit_Count	1
49937	Hydrogen_Bond_Donor_Count	1
18200	Tautomer_Count	1
10942338	Exact_Mass	86.036779430
94671	Undefined_Atom_Stereo_Count	0
841	Exact_Mass	164.06847348
135887820	Hydrogen_Bond_Acceptor_Count	15
13628993	Covalent_Unit_Count	3
136648	Total_Formal_Charge	0
21806052	XLogP3-AA	0.4
15222	Exact_Mass	253.204179104
800	Undefined_Bond_Stereo_Count	0
82755	TPSA	60.7
134825353	Structure_Complexity	795
16154490	Undefined_Bond_Stereo_Count	0
20314	Non-hydrogen_Atom_Count	8
54175	Defined_Bond_Stereo_Count	0
44588964	Undefined_Bond_Stereo_Count	0
20387231	Covalent_Unit_Count	1
135697	TPSA	50.4
138961	Exact_Mass	97.052763847
15208	Total_Formal_Charge	0
4712993	Hydrogen_Bond_Donor_Count	0
30822	XLogP3-AA	2.2
6599	Molecular_Weight	121.23
59874134	TPSA	20.2
62542	Defined_Bond_Stereo_Count	0
439756	Defined_Atom_Stereo_Count	1
71945	Tautomer_Count	1
85708088	XLogP3-AA	3.2
101882103	Hydrogen_Bond_Donor_Count	0
22596859	Defined_Bond_Stereo_Count	0
97497	Defined_Atom_Stereo_Count	0
22833317	Rotatable_Bond_Count	7
2318546	Molecular_Weight	334.4
3034479	Molecular_Weight	300.37
11325699	Exact_Mass	354.0328724
91264731	Total_Formal_Charge	0
7454	Undefined_Bond_Stereo_Count	0
46220502	Exact_Mass	506.27179938
23675258	Molecular_Weight	205.17
12406949	XLogP3-AA	0.4
104774	Rotatable_Bond_Count	10
63624	Undefined_Atom_Stereo_Count	0
131874127	TPSA	46.9
60745	Hydrogen_Bond_Donor_Count	0
5935	Mono_Isotopic_Weight	191.003532
6450003	Total_Formal_Charge	0
3613700	Total_Formal_Charge	0
73946427	Rotatable_Bond_Count	6
24066	Tautomer_Count	3
14947250	Isotope_Atom_Count	0
22385728	Hydrogen_Bond_Acceptor_Count	1
71583159	Structure_Complexity	676
57515	Hydrogen_Bond_Donor_Count	2
219019	TPSA	52.6
76464	Exact_Mass	226.07588133
63944	XLogP3-AA	7.3
715	Undefined_Atom_Stereo_Count	4
6436658	Hydrogen_Bond_Donor_Count	4
10176672	Rotatable_Bond_Count	1
93847	Hydrogen_Bond_Donor_Count	0
248333	Total_Formal_Charge	0
6784	Defined_Atom_Stereo_Count	0
74823	Rotatable_Bond_Count	4
754780	Defined_Atom_Stereo_Count	0
138113415	Hydrogen_Bond_Acceptor_Count	12
599239	Covalent_Unit_Count	1
5330196	Defined_Atom_Stereo_Count	0
441374	Exact_Mass	582.20543769
13814	Rotatable_Bond_Count	5
17134	Undefined_Atom_Stereo_Count	0
102521938	Mono_Isotopic_Weight	418.30830982
6481	Non-hydrogen_Atom_Count	18
12395209	Structure_Complexity	202
8308	Defined_Bond_Stereo_Count	0
136253316	Defined_Atom_Stereo_Count	1
2905	Mono_Isotopic_Weight	291.18344366
79729	Hydrogen_Bond_Acceptor_Count	4
10133	Rotatable_Bond_Count	4
25094902	XLogP3-AA	2.4
3991	Structure_Complexity	271
115817	Exact_Mass	412.0262629
9845837	XLogP3-AA	2.7
12472552	Total_Formal_Charge	0
10606713	Mono_Isotopic_Weight	113.047678466
963715	Rotatable_Bond_Count	6
71109	Mono_Isotopic_Weight	272.152477885
448702	Non-hydrogen_Atom_Count	12
45116687	Hydrogen_Bond_Donor_Count	1
33255	Molecular_Weight	454.5
517304	Total_Formal_Charge	0
74356	TPSA	28.7
83966	Mono_Isotopic_Weight	331.10558726
261555	Structure_Complexity	711
445892	Molecular_Weight	165.23
11345692	Hydrogen_Bond_Donor_Count	0
2117	Tautomer_Count	1
54548956	Molecular_Weight	112.13
9800065	Structure_Complexity	519
23571381	Hydrogen_Bond_Donor_Count	1
12471321	Defined_Bond_Stereo_Count	0
66727	TPSA	42.2
13474789	Defined_Bond_Stereo_Count	0
135542556	Defined_Atom_Stereo_Count	2
27941	Hydrogen_Bond_Acceptor_Count	1
83433	Isotope_Atom_Count	0
21816393	Defined_Bond_Stereo_Count	0
21691268	Undefined_Bond_Stereo_Count	0
5340	TPSA	122
11088	Isotope_Atom_Count	0
101602	Rotatable_Bond_Count	2
25058126	Covalent_Unit_Count	1
4730	Isotope_Atom_Count	0
86000267	XLogP3-AA	6.3
9538	Mono_Isotopic_Weight	174.141993387
184841	XLogP3-AA	2.9
54206132	Non-hydrogen_Atom_Count	7
292146	Total_Formal_Charge	0
107243	Non-hydrogen_Atom_Count	8
21445949	Hydrogen_Bond_Donor_Count	2
13452165	Isotope_Atom_Count	0
20943	XLogP3	2.6
1064	Non-hydrogen_Atom_Count	13
57468	Defined_Atom_Stereo_Count	0
5610	Hydrogen_Bond_Donor_Count	2
44344734	Covalent_Unit_Count	1
503737	Tautomer_Count	9
44097	Covalent_Unit_Count	1
3960	Covalent_Unit_Count	1
58126	Undefined_Atom_Stereo_Count	3
695314	Hydrogen_Bond_Acceptor_Count	4
135403657	Molecular_Weight	522.20
440927	Tautomer_Count	36
15758	Rotatable_Bond_Count	0
825784	Covalent_Unit_Count	1
11243536	TPSA	32.3
12848394	Isotope_Atom_Count	0
76344	Hydrogen_Bond_Acceptor_Count	4
11105655	Covalent_Unit_Count	1
129148	TPSA	138
14975831	Structure_Complexity	16.4
18380143	Undefined_Bond_Stereo_Count	0
13817	Molecular_Weight	680.8
5353760	Covalent_Unit_Count	1
19065710	Non-hydrogen_Atom_Count	8
11957526	Molecular_Weight	260.13
26173	Structure_Complexity	120
73891153	Covalent_Unit_Count	1
3001055	Structure_Complexity	347
11291932	Covalent_Unit_Count	1
689385	Exact_Mass	322.05000196
133066	Molecular_Weight	385.28
198822	TPSA	107
136257950	Hydrogen_Bond_Acceptor_Count	14
18314506	Non-hydrogen_Atom_Count	7
146779553	Exact_Mass	108.093900383
10185917	Non-hydrogen_Atom_Count	35
5656	Molecular_Weight	277.4
439616	Hydrogen_Bond_Donor_Count	2
11126188	Rotatable_Bond_Count	1
40467016	Hydrogen_Bond_Donor_Count	1
637921	Exact_Mass	67.042199164
49865919	XLogP3-AA	3.6
228005	Undefined_Atom_Stereo_Count	0
222697	Non-hydrogen_Atom_Count	8
254129	Rotatable_Bond_Count	2
101894327	Exact_Mass	324.17254462
62354	Exact_Mass	620.28327683
3009	Defined_Atom_Stereo_Count	0
39912	TPSA	37.3
13925600	Non-hydrogen_Atom_Count	8
179334	Tautomer_Count	2
71680844	TPSA	91.2
21702770	Mono_Isotopic_Weight	114.068079557
10419	Mono_Isotopic_Weight	54.0469501914
44414728	Covalent_Unit_Count	1
28125489	Undefined_Bond_Stereo_Count	0
6438361	Exact_Mass	380.1058333
77084	Hydrogen_Bond_Donor_Count	2
99824	Non-hydrogen_Atom_Count	9
4008	Undefined_Bond_Stereo_Count	0
12302694	Structure_Complexity	382
20217132	Molecular_Weight	85.15
75577315	Mono_Isotopic_Weight	116.047344113
11636	Total_Formal_Charge	0
3134	Isotope_Atom_Count	0
25272039	Undefined_Atom_Stereo_Count	0
9916282	Molecular_Weight	580.7
91194554	Undefined_Bond_Stereo_Count	0
23167	Tautomer_Count	1
1966	Rotatable_Bond_Count	19
57449500	Mono_Isotopic_Weight	95.073499291
6857473	Hydrogen_Bond_Acceptor_Count	0
121290492	Covalent_Unit_Count	1
56665391	Structure_Complexity	617
3045414	Exact_Mass	243.1026065
10221470	Molecular_Weight	284.35
448258	Structure_Complexity	592
39546	Structure_Complexity	464
122672156	TPSA	52.1
5281614	Covalent_Unit_Count	1
119058036	Hydrogen_Bond_Donor_Count	61
61664	Hydrogen_Bond_Donor_Count	0
4274588	TPSA	69.6
58195	Total_Formal_Charge	0
16005262	Mono_Isotopic_Weight	98.084398327
13466096	Total_Formal_Charge	0
18530	Total_Formal_Charge	0
769	Isotope_Atom_Count	0
54558427	TPSA	46.5
8458	Molecular_Weight	217.20
53940530	Hydrogen_Bond_Acceptor_Count	2
11565240	Molecular_Weight	268.31
18484	Mono_Isotopic_Weight	290.17944152
53835394	Non-hydrogen_Atom_Count	8
32933	Non-hydrogen_Atom_Count	19
439168	Exact_Mass	169.99802494
19868	Isotope_Atom_Count	0
282752	Mono_Isotopic_Weight	245.0091000
5271565	Mono_Isotopic_Weight	144.04225873
11271	Molecular_Weight	114.19
7496	TPSA	142
5283454	Molecular_Weight	325.5
5371	Rotatable_Bond_Count	6
248898	XLogP3-AA	1.8
530132	Covalent_Unit_Count	1
453131	XLogP3	0.9
593411	TPSA	0
104774	Hydrogen_Bond_Acceptor_Count	4
6918558	Undefined_Bond_Stereo_Count	0
6915	Hydrogen_Bond_Acceptor_Count	2
54581774	Rotatable_Bond_Count	5
9949648	TPSA	41.6
4977	Hydrogen_Bond_Donor_Count	1
134688015	Hydrogen_Bond_Donor_Count	0
153939154	Rotatable_Bond_Count	0
123899588	Isotope_Atom_Count	0
522002	Non-hydrogen_Atom_Count	8
14570995	Rotatable_Bond_Count	1
5188	Non-hydrogen_Atom_Count	29
6537201	Hydrogen_Bond_Acceptor_Count	3
6518168	Mono_Isotopic_Weight	1134.3697639
163943218	Exact_Mass	116.083729621
71128	Exact_Mass	325.204179104
312666	Defined_Bond_Stereo_Count	0
96405	Mono_Isotopic_Weight	147.048427358
2733484	Molecular_Weight	376.9
121595921	Mono_Isotopic_Weight	868.56604061
179849	Total_Formal_Charge	0
135052535	Exact_Mass	116.047344113
55185	Hydrogen_Bond_Acceptor_Count	14
10404	Mono_Isotopic_Weight	241.95636425
80296	Hydrogen_Bond_Acceptor_Count	10
15347676	Molecular_Weight	111.15
517057	Tautomer_Count	1
99404	Hydrogen_Bond_Acceptor_Count	1
7070	Total_Formal_Charge	0
9795291	Exact_Mass	265.09866828
67299	Structure_Complexity	108
22784	Defined_Atom_Stereo_Count	0
15232	TPSA	248
247769	TPSA	26
65777	XLogP3-AA	3.5
150679	Mono_Isotopic_Weight	270.08652358
594832	Rotatable_Bond_Count	1
5311027	Structure_Complexity	541
9693	Hydrogen_Bond_Acceptor_Count	3
9846078	Exact_Mass	440.17360725
143683872	Defined_Atom_Stereo_Count	0
221071	Isotope_Atom_Count	0
135451068	Structure_Complexity	834
10975422	Undefined_Bond_Stereo_Count	0
11332442	Undefined_Bond_Stereo_Count	0
73949	Undefined_Bond_Stereo_Count	0
121207396	Structure_Complexity	134
6004	Structure_Complexity	117
9865442	TPSA	83.8
5288588	Undefined_Bond_Stereo_Count	0
61285	Hydrogen_Bond_Acceptor_Count	3
139584807	Defined_Bond_Stereo_Count	1
5288706	Mono_Isotopic_Weight	485.27536898
24705	TPSA	18.5
19390240	Rotatable_Bond_Count	3
131664	Total_Formal_Charge	0
14352519	Hydrogen_Bond_Acceptor_Count	2
837924	Undefined_Atom_Stereo_Count	0
53346491	Hydrogen_Bond_Acceptor_Count	4
523251	XLogP3-AA	1.4
4045	Undefined_Bond_Stereo_Count	0
14830385	Defined_Atom_Stereo_Count	0
10149453	TPSA	107
32315	Total_Formal_Charge	0
22715990	Defined_Bond_Stereo_Count	0
449381	Non-hydrogen_Atom_Count	20
23925	Undefined_Bond_Stereo_Count	0
2968	XLogP3-AA	3.9
54537	Tautomer_Count	2
24891700	Molecular_Weight	427.5
299728	Undefined_Bond_Stereo_Count	0
76538	Exact_Mass	337.941786
14296346	Defined_Atom_Stereo_Count	0
533920	Mono_Isotopic_Weight	99.068413911
184822	Tautomer_Count	2
132519	Exact_Mass	388.21105539
66704605	Exact_Mass	98.073164938
92058	Total_Formal_Charge	0
15900	Defined_Bond_Stereo_Count	0
45357147	Undefined_Atom_Stereo_Count	13
7001	Undefined_Atom_Stereo_Count	0
3690	XLogP3	0.9
3260420	Hydrogen_Bond_Acceptor_Count	1
14379227	XLogP3-AA	0.5
10039774	Exact_Mass	288.208930132
120	Defined_Bond_Stereo_Count	0
72199784	Structure_Complexity	626
817623	Defined_Bond_Stereo_Count	0
17460	Undefined_Bond_Stereo_Count	0
28768	Undefined_Atom_Stereo_Count	0
10245972	Molecular_Weight	328.5
1242943	Isotope_Atom_Count	0
6328174	Defined_Atom_Stereo_Count	0
21946437	Undefined_Bond_Stereo_Count	0
88924436	Hydrogen_Bond_Donor_Count	0
71273	Exact_Mass	274.204513457
4284331	Undefined_Atom_Stereo_Count	1
123626564	Isotope_Atom_Count	0
147226284	Non-hydrogen_Atom_Count	8
70912	Structure_Complexity	177
19086	Non-hydrogen_Atom_Count	21
439183	Defined_Bond_Stereo_Count	0
76507	Undefined_Bond_Stereo_Count	0
36688118	Undefined_Atom_Stereo_Count	0
7958	TPSA	17.1
53316416	Isotope_Atom_Count	0
13713368	Molecular_Weight	395.0
17049	Tautomer_Count	1
91759532	Isotope_Atom_Count	0
11789342	Isotope_Atom_Count	0
580	Structure_Complexity	643
13207	Total_Formal_Charge	0
53785673	XLogP3-AA	0.5
9223	Molecular_Weight	118.13
6185	Rotatable_Bond_Count	2
9919265	Hydrogen_Bond_Donor_Count	4
242356	Non-hydrogen_Atom_Count	21
13018787	TPSA	93
57016488	Rotatable_Bond_Count	2
69674285	Hydrogen_Bond_Acceptor_Count	1
11521066	Hydrogen_Bond_Acceptor_Count	2
2734	Hydrogen_Bond_Donor_Count	2
84975	Tautomer_Count	1
31227	Mono_Isotopic_Weight	178.135765193
398631	XLogP3-AA	5
21953621	Structure_Complexity	358
9284	Hydrogen_Bond_Acceptor_Count	2
35267	Rotatable_Bond_Count	3
44318267	Exact_Mass	390.11504700
153909	TPSA	149
14758064	Mono_Isotopic_Weight	131.048347172
72187528	Defined_Bond_Stereo_Count	0
2366	Hydrogen_Bond_Donor_Count	1
1858	Total_Formal_Charge	0
26421	Non-hydrogen_Atom_Count	10
135968625	Structure_Complexity	1730
75460	Structure_Complexity	110
155087254	Non-hydrogen_Atom_Count	85
34740	Tautomer_Count	1
55250378	Covalent_Unit_Count	1
164656	Molecular_Weight	104.15
16398	Hydrogen_Bond_Acceptor_Count	1
6948	Exact_Mass	499.7267
65815658	Undefined_Atom_Stereo_Count	1
11365506	Undefined_Atom_Stereo_Count	0
68668153	Undefined_Atom_Stereo_Count	0
26318	Tautomer_Count	1
5284554	Hydrogen_Bond_Donor_Count	5
657	XLogP3-AA	5.3
5543	Mono_Isotopic_Weight	303.001818
167845	Total_Formal_Charge	0
429819	Non-hydrogen_Atom_Count	13
69020	Defined_Atom_Stereo_Count	0
77097	Isotope_Atom_Count	0
2734167	Defined_Bond_Stereo_Count	0
22220113	Rotatable_Bond_Count	1
449293	TPSA	23.5
101641111	Undefined_Bond_Stereo_Count	0
9883915	Undefined_Atom_Stereo_Count	0
161664	Structure_Complexity	411
5466987	Molecular_Weight	435.4
638026	Rotatable_Bond_Count	4
439156	Defined_Bond_Stereo_Count	0
23696271	Mono_Isotopic_Weight	222.99152313
2779183	Molecular_Weight	248.0
13140652	Defined_Bond_Stereo_Count	0
91707	Molecular_Weight	361.8
19549	TPSA	38.3
4555	XLogP3-AA	5.3
535634	Mono_Isotopic_Weight	81.057849228
76258	Tautomer_Count	1
67113727	TPSA	30.3
6257	Structure_Complexity	246
60168629	Mono_Isotopic_Weight	381.15762283
16220015	Hydrogen_Bond_Donor_Count	1
15505	XLogP3-AA	4.6
57887199	Total_Formal_Charge	0
4098	Hydrogen_Bond_Acceptor_Count	4
82452	Defined_Atom_Stereo_Count	0
101254312	Defined_Atom_Stereo_Count	5
8657	Tautomer_Count	1
130145308	TPSA	40.5
533432	TPSA	20.2
76241	Total_Formal_Charge	0
57459334	Structure_Complexity	48.1
89292361	Molecular_Weight	100.16
709225	Defined_Bond_Stereo_Count	0
24812721	Rotatable_Bond_Count	6
12340	Mono_Isotopic_Weight	88.088815002
23675746	Covalent_Unit_Count	2
7400	Tautomer_Count	1
39897	TPSA	116
18710462	Total_Formal_Charge	0
5281066	Non-hydrogen_Atom_Count	38
78521	Tautomer_Count	7
11578610	Rotatable_Bond_Count	4
127657	XLogP3-AA	4.4
60932	XLogP3-AA	4.6
797998	Isotope_Atom_Count	0
16051040	Covalent_Unit_Count	1
89990880	Hydrogen_Bond_Acceptor_Count	12
11102	Non-hydrogen_Atom_Count	38
54167752	Mono_Isotopic_Weight	95.94876769
13087254	Undefined_Atom_Stereo_Count	1
154138519	Non-hydrogen_Atom_Count	7
19596	Molecular_Weight	294.33
104802	TPSA	223
50397	Hydrogen_Bond_Donor_Count	1
10456134	Mono_Isotopic_Weight	444.25118886
54006055	Exact_Mass	243.162314293
1479	Undefined_Bond_Stereo_Count	1
24815434	Total_Formal_Charge	0
46936967	Mono_Isotopic_Weight	359.966246
58608	TPSA	35.6
9933475	Structure_Complexity	625
148177	Hydrogen_Bond_Donor_Count	0
13728409	Molecular_Weight	620.7
44560703	Mono_Isotopic_Weight	331.09906259
6538995	TPSA	82.5
4424	Undefined_Bond_Stereo_Count	2
3951	Defined_Atom_Stereo_Count	0
629392	Undefined_Atom_Stereo_Count	0
12040509	Mono_Isotopic_Weight	503.13471767
526950	Mono_Isotopic_Weight	110.036779430
8491	Mono_Isotopic_Weight	171.0087061
201	Structure_Complexity	1160
128907	Exact_Mass	345.0226421
15983287	Undefined_Atom_Stereo_Count	1
24864463	Rotatable_Bond_Count	3
7774	Covalent_Unit_Count	1
12762443	Exact_Mass	111.079647300
23263	Tautomer_Count	1
129674188	TPSA	68.4
73216	TPSA	93.4
3326	Undefined_Bond_Stereo_Count	0
94973	Total_Formal_Charge	0
57856017	Rotatable_Bond_Count	0
798232	Hydrogen_Bond_Acceptor_Count	3
72573106	TPSA	58.3
145996610	Undefined_Atom_Stereo_Count	0
143888994	Covalent_Unit_Count	1
11306073	Covalent_Unit_Count	3
11733	Hydrogen_Bond_Donor_Count	0
53846420	XLogP3-AA	5.1
2723706	Rotatable_Bond_Count	2
26129	Rotatable_Bond_Count	0
70689792	Hydrogen_Bond_Acceptor_Count	7
629281	TPSA	105
289847	Exact_Mass	160.074896272
12599701	Undefined_Bond_Stereo_Count	0
9843750	Rotatable_Bond_Count	5
54272739	Mono_Isotopic_Weight	86.084398327
181749	Non-hydrogen_Atom_Count	7
25154200	Exact_Mass	397.10495400
26651	Hydrogen_Bond_Donor_Count	7
643189	Hydrogen_Bond_Acceptor_Count	1
533884	Molecular_Weight	99.17
53670643	Defined_Bond_Stereo_Count	0
13542	Structure_Complexity	88.1
53846421	TPSA	60.7
153643637	Exact_Mass	99.068413911
55889	Undefined_Atom_Stereo_Count	0
520540	Total_Formal_Charge	0
9642	Total_Formal_Charge	0
9920369	XLogP3-AA	0.3
551174	Total_Formal_Charge	0
11240435	Undefined_Atom_Stereo_Count	0
124222212	Rotatable_Bond_Count	3
767	TPSA	57.5
9916195	Rotatable_Bond_Count	7
3024	Hydrogen_Bond_Donor_Count	0
59434	Isotope_Atom_Count	0
53628440	Defined_Bond_Stereo_Count	0
12146767	Molecular_Weight	81.12
5362456	Rotatable_Bond_Count	0
15790	Isotope_Atom_Count	0
85364156	Non-hydrogen_Atom_Count	57
13166770	XLogP3-AA	1.5
23405789	XLogP3-AA	1.6
23581946	Isotope_Atom_Count	0
121489349	Hydrogen_Bond_Donor_Count	25
17750962	TPSA	134
5596	Covalent_Unit_Count	1
129694674	Hydrogen_Bond_Acceptor_Count	1
54445182	Undefined_Atom_Stereo_Count	3
10335364	Undefined_Atom_Stereo_Count	0
54203587	Hydrogen_Bond_Donor_Count	0
20626699	Defined_Atom_Stereo_Count	0
81512	Hydrogen_Bond_Acceptor_Count	2
12412266	Undefined_Bond_Stereo_Count	0
216454	Tautomer_Count	2
6323491	Molecular_Weight	364.8
22833317	Molecular_Weight	192.25
1232	Rotatable_Bond_Count	0
83170	Undefined_Atom_Stereo_Count	0
3034319	Defined_Bond_Stereo_Count	0
1548886	Non-hydrogen_Atom_Count	25
20626699	Rotatable_Bond_Count	2
91267	Covalent_Unit_Count	1
137331882	Rotatable_Bond_Count	2
7955	Total_Formal_Charge	0
32966	XLogP3	0.2
15939272	Rotatable_Bond_Count	0
10510817	Isotope_Atom_Count	0
118797420	Molecular_Weight	186.11
5327073	Structure_Complexity	575
23236224	TPSA	40.9
32719	TPSA	12.4
639102	Isotope_Atom_Count	0
6736	Undefined_Bond_Stereo_Count	0
96268	Hydrogen_Bond_Acceptor_Count	4
27670	Defined_Atom_Stereo_Count	0
10198397	TPSA	91.7
12275548	Non-hydrogen_Atom_Count	27
118328333	Covalent_Unit_Count	1
67849	Undefined_Bond_Stereo_Count	0
59059060	Undefined_Bond_Stereo_Count	0
54518010	Isotope_Atom_Count	0
71453775	Isotope_Atom_Count	0
71458868	TPSA	90.6
38980	Exact_Mass	298.1236763
37686	Non-hydrogen_Atom_Count	23
83884	Defined_Atom_Stereo_Count	5
77388	Non-hydrogen_Atom_Count	22
52007	TPSA	41.1
15560527	Rotatable_Bond_Count	0
22137188	Hydrogen_Bond_Acceptor_Count	1
165971	TPSA	3
16073660	Hydrogen_Bond_Donor_Count	0
197059	Mono_Isotopic_Weight	346.1811912
2882	Isotope_Atom_Count	0
135403832	XLogP3-AA	1.9
444013	Isotope_Atom_Count	0
312666	Mono_Isotopic_Weight	100.063662883
21698825	Defined_Atom_Stereo_Count	0
6918584	Structure_Complexity	2790
12223113	Defined_Bond_Stereo_Count	0
87743	Structure_Complexity	284
73005	Total_Formal_Charge	0
9082	Non-hydrogen_Atom_Count	5
24257	Hydrogen_Bond_Donor_Count	0
14195	Defined_Bond_Stereo_Count	0
66909	Molecular_Weight	262.33
83363	Mono_Isotopic_Weight	270.140850574
100964856	XLogP3-AA	0.1
71334656	Covalent_Unit_Count	1
17754220	TPSA	132
64948	Defined_Atom_Stereo_Count	0
105084	Rotatable_Bond_Count	1
146131	Molecular_Weight	180.16
10715	Undefined_Bond_Stereo_Count	0
11300765	Rotatable_Bond_Count	0
751826	Rotatable_Bond_Count	2
18378694	Total_Formal_Charge	0
6323266	Hydrogen_Bond_Donor_Count	3
148828281	Undefined_Bond_Stereo_Count	0
72551585	Defined_Bond_Stereo_Count	0
3074827	Undefined_Atom_Stereo_Count	0
14826608	Mono_Isotopic_Weight	99.032028402
10017019	Isotope_Atom_Count	0
4659568	Covalent_Unit_Count	1
3035668	TPSA	81.4
2378	Hydrogen_Bond_Donor_Count	0
44631912	Defined_Atom_Stereo_Count	0
22061626	Undefined_Bond_Stereo_Count	0
6027	Isotope_Atom_Count	0
146935695	Defined_Bond_Stereo_Count	0
332226	Hydrogen_Bond_Acceptor_Count	3
67361	Structure_Complexity	175
67214459	Defined_Bond_Stereo_Count	0
14897272	Exact_Mass	102.079312947
5442	Hydrogen_Bond_Donor_Count	0
120081	Mono_Isotopic_Weight	222.06405680
82650926	Covalent_Unit_Count	1
92131209	Defined_Atom_Stereo_Count	2
28693	Hydrogen_Bond_Acceptor_Count	3
21907926	Rotatable_Bond_Count	0
5313082	Rotatable_Bond_Count	36
55899	Mono_Isotopic_Weight	141.090211983
139852	Mono_Isotopic_Weight	93.057849228
6321253	Hydrogen_Bond_Acceptor_Count	2
14647	Undefined_Bond_Stereo_Count	0
447377	Total_Formal_Charge	0
11850899	Non-hydrogen_Atom_Count	24
37720	Non-hydrogen_Atom_Count	35
24202578	Total_Formal_Charge	0
27197	Molecular_Weight	247.31
22297	Defined_Bond_Stereo_Count	0
68396089	Defined_Bond_Stereo_Count	0
23653584	Isotope_Atom_Count	0
126514322	Hydrogen_Bond_Donor_Count	1
86882	Covalent_Unit_Count	1
20015	XLogP3-AA	4.6
129396765	Isotope_Atom_Count	0
4033	Exact_Mass	155.0268547
1117	Undefined_Atom_Stereo_Count	0
62779	Rotatable_Bond_Count	1
4189	Exact_Mass	415.983074
138107735	Structure_Complexity	756
3032576	Non-hydrogen_Atom_Count	24
13424661	Covalent_Unit_Count	1
33166	Isotope_Atom_Count	0
136307	Molecular_Weight	128.09
71583378	XLogP3-AA	3.4
8902	Rotatable_Bond_Count	4
7503	Undefined_Bond_Stereo_Count	0
129738033	Mono_Isotopic_Weight	256.06703418
611	Molecular_Weight	147.13
344644	Exact_Mass	310.15689456
85864685	Undefined_Bond_Stereo_Count	0
9101	Undefined_Atom_Stereo_Count	2
25137901	TPSA	263
75846	Mono_Isotopic_Weight	220.01289061
81455	Hydrogen_Bond_Donor_Count	0
22013662	Isotope_Atom_Count	0
10628031	Non-hydrogen_Atom_Count	45
72978296	Hydrogen_Bond_Acceptor_Count	2
5281650	Non-hydrogen_Atom_Count	30
98266	Mono_Isotopic_Weight	130.135765193
15558640	Covalent_Unit_Count	1
130537941	Rotatable_Bond_Count	4
17522	Tautomer_Count	1
6922967	Isotope_Atom_Count	0
3035405	Molecular_Weight	1213.4
65700	Covalent_Unit_Count	1
9868219	Undefined_Atom_Stereo_Count	0
47445	Total_Formal_Charge	0
91562	Structure_Complexity	664
22630	Hydrogen_Bond_Acceptor_Count	2
23676152	Total_Formal_Charge	0
14717865	TPSA	17.8
19891145	Non-hydrogen_Atom_Count	8
177120	Covalent_Unit_Count	1
11358	Total_Formal_Charge	0
135643052	XLogP3-AA	1.1
104865206	Hydrogen_Bond_Acceptor_Count	3
2058	Exact_Mass	322.13174244
2783279	Mono_Isotopic_Weight	151.00451168
11597	Undefined_Atom_Stereo_Count	0
119058385	Non-hydrogen_Atom_Count	28
5357155	Mono_Isotopic_Weight	205.07389321
45120389	Structure_Complexity	113
86171381	Structure_Complexity	113
12313523	Defined_Atom_Stereo_Count	5
56842231	Exact_Mass	1140.59812858
13577	Defined_Bond_Stereo_Count	0
96034	Hydrogen_Bond_Acceptor_Count	1
224844	Isotope_Atom_Count	0
7398	Isotope_Atom_Count	0
44644	Defined_Bond_Stereo_Count	0
84648	Hydrogen_Bond_Acceptor_Count	3
69079	Covalent_Unit_Count	1
69663	Hydrogen_Bond_Acceptor_Count	2
101417452	Covalent_Unit_Count	5
50988819	Hydrogen_Bond_Donor_Count	0
34755	Hydrogen_Bond_Donor_Count	4
57202979	Undefined_Bond_Stereo_Count	0
6858240	Undefined_Atom_Stereo_Count	0
14129	Undefined_Atom_Stereo_Count	0
7013	Covalent_Unit_Count	1
135487652	Isotope_Atom_Count	0
12198	Tautomer_Count	1
102213	Rotatable_Bond_Count	3
10986200	Isotope_Atom_Count	0
404289	Defined_Bond_Stereo_Count	0
6364620	Undefined_Atom_Stereo_Count	5
145562	Defined_Atom_Stereo_Count	0
44916	Mono_Isotopic_Weight	243.1753775
121444434	Defined_Atom_Stereo_Count	0
81097	Undefined_Bond_Stereo_Count	0
139593469	Hydrogen_Bond_Acceptor_Count	20
134694117	Undefined_Atom_Stereo_Count	1
10127622	Hydrogen_Bond_Acceptor_Count	6
15744	Tautomer_Count	1
76687	Structure_Complexity	445
850501	Non-hydrogen_Atom_Count	25
89158693	Mono_Isotopic_Weight	110.073164938
5852	Structure_Complexity	124
681186	XLogP3-AA	4.4
28145931	Exact_Mass	388.1553704
3000322	Exact_Mass	303.14705815
7017958	Isotope_Atom_Count	0
940066	Isotope_Atom_Count	0
10219398	Mono_Isotopic_Weight	111.032028402
10569	Undefined_Atom_Stereo_Count	0
3515	Exact_Mass	198.140850574
162715424	Covalent_Unit_Count	1
5765	Tautomer_Count	1
267769	Structure_Complexity	426
25654	TPSA	131
62835	XLogP3-AA	0.4
5282484	Undefined_Atom_Stereo_Count	0
12664944	Mono_Isotopic_Weight	100.088815002
12433	Total_Formal_Charge	0
9918559	Molecular_Weight	477.5
11194306	Non-hydrogen_Atom_Count	8
9669	Total_Formal_Charge	0
23618458	Molecular_Weight	279.28
12540922	Rotatable_Bond_Count	0
165777539	Hydrogen_Bond_Donor_Count	0
36906	Rotatable_Bond_Count	3
44828796	Undefined_Bond_Stereo_Count	0
6435378	Non-hydrogen_Atom_Count	26
89356917	Defined_Bond_Stereo_Count	5
596336	TPSA	47.6
13510025	XLogP3-AA	0
9942127	Rotatable_Bond_Count	0
157209529	Total_Formal_Charge	0
26398	Molecular_Weight	251.11
14218	Hydrogen_Bond_Acceptor_Count	4
153627081	Molecular_Weight	102.14
95566291	Molecular_Weight	416.6
115219	Covalent_Unit_Count	1
54187438	Mono_Isotopic_Weight	99.104799419
56666742	Isotope_Atom_Count	0
24004	Isotope_Atom_Count	0
14195455	XLogP3-AA	0.3
54681041	TPSA	206
69834	Structure_Complexity	103
10672195	Hydrogen_Bond_Acceptor_Count	4
136400	Undefined_Atom_Stereo_Count	0
5458497	Undefined_Bond_Stereo_Count	0
93077	Undefined_Atom_Stereo_Count	0
443943	Exact_Mass	454.1922300
1980	Total_Formal_Charge	0
31762	Rotatable_Bond_Count	1
71455278	Isotope_Atom_Count	0
68909	Molecular_Weight	367.3
229455	TPSA	43.4
271488	Isotope_Atom_Count	0
4917	TPSA	35
129075411	Undefined_Atom_Stereo_Count	0
431631	Tautomer_Count	1
11365506	Non-hydrogen_Atom_Count	38
12105	TPSA	17.1
11452716	Structure_Complexity	683
74600475	Molecular_Weight	428.5
10264356	XLogP3	2.5
122820	Isotope_Atom_Count	0
9887304	Covalent_Unit_Count	1
6971016	TPSA	110
16932	Undefined_Atom_Stereo_Count	0
604	Rotatable_Bond_Count	5
71426	Defined_Atom_Stereo_Count	2
68651	Non-hydrogen_Atom_Count	19
441308	Isotope_Atom_Count	0
122724	Total_Formal_Charge	0
6602103	Total_Formal_Charge	0
59059978	Defined_Bond_Stereo_Count	0
6327546	Molecular_Weight	233.18
6788	Covalent_Unit_Count	1
13095	Total_Formal_Charge	0
64865	TPSA	75.4
58265178	Covalent_Unit_Count	1
11803	Total_Formal_Charge	0
5460037	Structure_Complexity	625
550922	Defined_Bond_Stereo_Count	0
10850	Covalent_Unit_Count	1
23654	Covalent_Unit_Count	1
12082850	Defined_Bond_Stereo_Count	1
14611919	Undefined_Bond_Stereo_Count	0
95083	Defined_Atom_Stereo_Count	0
123809	Hydrogen_Bond_Donor_Count	11
57401865	Total_Formal_Charge	0
3762	TPSA	72.7
61489	Hydrogen_Bond_Acceptor_Count	8
10206604	Non-hydrogen_Atom_Count	35
535805	Undefined_Bond_Stereo_Count	0
45248	Molecular_Weight	277.36
90315	Defined_Bond_Stereo_Count	0
5280880	Defined_Atom_Stereo_Count	3
46835136	Total_Formal_Charge	0
16295	Hydrogen_Bond_Donor_Count	0
23265	XLogP3	3.7
528856	TPSA	75.9
236666	XLogP3-AA	4
12375	Tautomer_Count	1
5521	Non-hydrogen_Atom_Count	10
322	Non-hydrogen_Atom_Count	12
60795	Total_Formal_Charge	0
88283211	Hydrogen_Bond_Donor_Count	0
102594130	Total_Formal_Charge	0
38855	Defined_Atom_Stereo_Count	0
46552	Undefined_Atom_Stereo_Count	0
131167766	Undefined_Atom_Stereo_Count	3
79474	Hydrogen_Bond_Acceptor_Count	2
11974	Exact_Mass	469.97760
7693	Tautomer_Count	1
38085	Structure_Complexity	306
32123	Hydrogen_Bond_Donor_Count	2
54453800	Non-hydrogen_Atom_Count	8
71458868	XLogP3-AA	5.2
5352845	Isotope_Atom_Count	0
55910	Exact_Mass	306.07316
3045402	Structure_Complexity	303
24198694	Covalent_Unit_Count	2
51605	Molecular_Weight	301.34
2520	Mono_Isotopic_Weight	454.28315770
72401	TPSA	162
5885	Non-hydrogen_Atom_Count	48
60712	Defined_Atom_Stereo_Count	0
54480591	Exact_Mass	94.078250319
6278	Hydrogen_Bond_Donor_Count	0
59059041	Defined_Bond_Stereo_Count	0
222073	TPSA	26.3
969152	Undefined_Atom_Stereo_Count	0
260859	Mono_Isotopic_Weight	342.117352223
156580566	XLogP3-AA	3.2
92968	TPSA	113
21684469	Isotope_Atom_Count	0
15053	XLogP3-AA	0.8
136219151	Hydrogen_Bond_Acceptor_Count	3
132252	Molecular_Weight	384.2
108037	Isotope_Atom_Count	0
118972006	Molecular_Weight	107.15
12527495	Undefined_Bond_Stereo_Count	0
10867835	Total_Formal_Charge	0
3015	Covalent_Unit_Count	1
6429536	Rotatable_Bond_Count	2
129827902	Covalent_Unit_Count	8
2794	Undefined_Bond_Stereo_Count	0
24233	Undefined_Bond_Stereo_Count	0
94292	Hydrogen_Bond_Donor_Count	1
8153	Hydrogen_Bond_Donor_Count	0
14029615	Exact_Mass	168.151415257
70754	Covalent_Unit_Count	1
123678537	XLogP3-AA	1.1
13769849	Molecular_Weight	493.5
23675349	Covalent_Unit_Count	2
102484	Total_Formal_Charge	0
9934347	Rotatable_Bond_Count	7
28332	Tautomer_Count	1
138440	TPSA	37.3
3179255	Hydrogen_Bond_Acceptor_Count	4
4659392	Rotatable_Bond_Count	8
6420074	Covalent_Unit_Count	1
25164000	Covalent_Unit_Count	1
634470	Defined_Atom_Stereo_Count	0
9795	Molecular_Weight	191.11
60924	Structure_Complexity	293
11427975	Covalent_Unit_Count	1
5352428	Undefined_Bond_Stereo_Count	0
160550	TPSA	75.8
10772947	Total_Formal_Charge	0
117853562	Structure_Complexity	113
3060974	Exact_Mass	441.1819195
135814	Exact_Mass	296.17360725
14667	Hydrogen_Bond_Donor_Count	1
44406	Isotope_Atom_Count	0
5281701	XLogP3	1
5040	Undefined_Atom_Stereo_Count	15
444863	Exact_Mass	164.06847348
5547	Defined_Bond_Stereo_Count	0
18447	TPSA	40
135121972	Defined_Atom_Stereo_Count	0
23665591	Exact_Mass	237.00395384
16134395	Undefined_Atom_Stereo_Count	0
92039518	Defined_Atom_Stereo_Count	0
3788	Undefined_Bond_Stereo_Count	1
13001072	Total_Formal_Charge	0
11061	TPSA	45.6
6326281	Hydrogen_Bond_Acceptor_Count	2
146461	Undefined_Atom_Stereo_Count	0
5288783	Mono_Isotopic_Weight	412.29774513
94020	Total_Formal_Charge	0
23693089	Hydrogen_Bond_Donor_Count	4
29051	Non-hydrogen_Atom_Count	76
6433082	Exact_Mass	251.1288213
88154	Undefined_Atom_Stereo_Count	0
14678668	Hydrogen_Bond_Acceptor_Count	2
9740	Defined_Bond_Stereo_Count	0
159889	Undefined_Atom_Stereo_Count	0
5288588	Hydrogen_Bond_Acceptor_Count	2
54727975	Rotatable_Bond_Count	4
73695606	Rotatable_Bond_Count	1
12940701	Tautomer_Count	1
6340	Covalent_Unit_Count	1
108051	Tautomer_Count	6
78759283	Covalent_Unit_Count	2
9561131	Non-hydrogen_Atom_Count	12
5380876	Rotatable_Bond_Count	0
12256	Defined_Bond_Stereo_Count	0
13351946	Mono_Isotopic_Weight	125.058911855
77290	TPSA	52.6
5918	Defined_Atom_Stereo_Count	0
25683	Molecular_Weight	224.32
35810	Hydrogen_Bond_Acceptor_Count	1
1498	XLogP3-AA	3.7
71358911	Defined_Bond_Stereo_Count	0
11829365	Covalent_Unit_Count	1
5281576	Tautomer_Count	111
68901489	Non-hydrogen_Atom_Count	8
101616201	Defined_Bond_Stereo_Count	0
56964111	Undefined_Atom_Stereo_Count	0
12245073	Structure_Complexity	62.7
66357	Structure_Complexity	217
285725	TPSA	41.5
482	Defined_Bond_Stereo_Count	0
15206	TPSA	20.2
138322	Hydrogen_Bond_Donor_Count	0
84647663	Molecular_Weight	112.13
75888	Defined_Bond_Stereo_Count	0
71988	Molecular_Weight	344.5
18980923	Isotope_Atom_Count	0
75322	Defined_Atom_Stereo_Count	0
129146	Hydrogen_Bond_Donor_Count	2
16224456	Tautomer_Count	1
3074827	Tautomer_Count	2
135448133	Undefined_Atom_Stereo_Count	9
11957521	Defined_Atom_Stereo_Count	6
1012	Defined_Atom_Stereo_Count	0
5486971	Covalent_Unit_Count	1
66070	Tautomer_Count	3
20325398	XLogP3-AA	0.5
74904	Exact_Mass	166.099379685
57131110	Structure_Complexity	179
21470	Defined_Atom_Stereo_Count	2
131845646	Exact_Mass	768.00929
5147171	Defined_Atom_Stereo_Count	1
219071	Defined_Atom_Stereo_Count	0
57004451	Rotatable_Bond_Count	1
20276	Structure_Complexity	71.4
5281969	Defined_Atom_Stereo_Count	0
154237264	Undefined_Bond_Stereo_Count	0
62774675	Molecular_Weight	116.16
98954	Isotope_Atom_Count	0
6675	Molecular_Weight	515.7
568	Hydrogen_Bond_Donor_Count	0
8584	Molecular_Weight	403.5
15982149	XLogP3-AA	0.2
13422580	Defined_Atom_Stereo_Count	18
9888075	Mono_Isotopic_Weight	415.19948764
9948102	Undefined_Bond_Stereo_Count	0
76437	Exact_Mass	161.047678466
5232201	Isotope_Atom_Count	0
10256440	Hydrogen_Bond_Acceptor_Count	9
2356	Structure_Complexity	458
6510	Defined_Atom_Stereo_Count	0
3073	Hydrogen_Bond_Acceptor_Count	3
15439201	Undefined_Atom_Stereo_Count	1
12351158	Non-hydrogen_Atom_Count	7
2227	Total_Formal_Charge	0
42633	Exact_Mass	467.28830265
10219402	Structure_Complexity	136
11959	Structure_Complexity	128
142952	Tautomer_Count	1
70150	Covalent_Unit_Count	1
20585	Defined_Bond_Stereo_Count	0
6175	Defined_Atom_Stereo_Count	4
5889665	Isotope_Atom_Count	0
153373905	Total_Formal_Charge	0
139799	Defined_Atom_Stereo_Count	0
6590	Covalent_Unit_Count	1
164946899	Defined_Bond_Stereo_Count	1
135565843	Exact_Mass	315.0556736
441411	Total_Formal_Charge	0
22227703	Exact_Mass	466.1758310
59594973	XLogP3-AA	0.2
11974213	XLogP3-AA	5.5
701542	TPSA	37.4
57392963	Hydrogen_Bond_Donor_Count	2
71583269	TPSA	91.8
28114	Molecular_Weight	110.11
156391	Mono_Isotopic_Weight	230.094294304
430795	Exact_Mass	202.21574685
82197	XLogP3	1.6
83656	Non-hydrogen_Atom_Count	23
37678	Total_Formal_Charge	0
28417	Covalent_Unit_Count	1
15420544	Exact_Mass	254.094294304
5353439	Total_Formal_Charge	0
57397288	Exact_Mass	526.27440453
101978361	Undefined_Bond_Stereo_Count	0
1794	Total_Formal_Charge	0
136870	Defined_Bond_Stereo_Count	0
12190	Defined_Bond_Stereo_Count	0
15561851	Isotope_Atom_Count	0
3035850	Mono_Isotopic_Weight	544.01228
54682463	Total_Formal_Charge	0
154809859	Undefined_Bond_Stereo_Count	1
22917	Exact_Mass	293.08004122
34885	Hydrogen_Bond_Donor_Count	0
9802	Covalent_Unit_Count	1
153380590	XLogP3-AA	1.1
2408	Exact_Mass	312.0665554
123187306	TPSA	0
7163	Undefined_Atom_Stereo_Count	0
3616	XLogP3-AA	0.3
25058197	Hydrogen_Bond_Donor_Count	1
138323	Rotatable_Bond_Count	2
2325	Structure_Complexity	374
6857429	Structure_Complexity	0
30843	Covalent_Unit_Count	1
66545742	TPSA	58.7
10220680	Molecular_Weight	254.69
2723698	Defined_Bond_Stereo_Count	0
42231	Non-hydrogen_Atom_Count	30
44407551	Covalent_Unit_Count	1
217409	XLogP3	2.3
71833	Total_Formal_Charge	0
22818	Hydrogen_Bond_Donor_Count	1
164	Defined_Atom_Stereo_Count	0
5259916	Molecular_Weight	114.10
11073365	Mono_Isotopic_Weight	108.068748264
4371	Molecular_Weight	808.5
54522	Defined_Atom_Stereo_Count	0
398593	Exact_Mass	293.14666
11163893	Defined_Atom_Stereo_Count	0
86583	Undefined_Bond_Stereo_Count	0
130145407	Hydrogen_Bond_Donor_Count	1
42985	Hydrogen_Bond_Acceptor_Count	6
3614338	Covalent_Unit_Count	1
33137	Rotatable_Bond_Count	2
53145	Defined_Bond_Stereo_Count	0
40185	Structure_Complexity	77.4
35935	Mono_Isotopic_Weight	251.0713064
12993138	Rotatable_Bond_Count	2
2186	Undefined_Atom_Stereo_Count	0
17150	Structure_Complexity	707
62576	Rotatable_Bond_Count	4
64624	Tautomer_Count	1
8250	Structure_Complexity	303
517348	Mono_Isotopic_Weight	164.04419074
10986159	Hydrogen_Bond_Donor_Count	1
317542	Mono_Isotopic_Weight	112.088815002
20312691	Hydrogen_Bond_Acceptor_Count	3
427	Defined_Atom_Stereo_Count	0
664338	Non-hydrogen_Atom_Count	28
13019077	Undefined_Bond_Stereo_Count	0
21684469	Defined_Atom_Stereo_Count	0
54695720	Defined_Atom_Stereo_Count	4
16129809	Exact_Mass	1131.32532709
12695899	Mono_Isotopic_Weight	110.073164938
5546	TPSA	130
6540298	Structure_Complexity	641
10470290	Mono_Isotopic_Weight	304.10725903
12308	TPSA	20.2
11717831	Structure_Complexity	629
90781811	Total_Formal_Charge	0
87847445	Structure_Complexity	120
119081	Covalent_Unit_Count	1
518740	Total_Formal_Charge	0
12285879	TPSA	110
29249	Isotope_Atom_Count	0
4449	Mono_Isotopic_Weight	469.2244530
20373272	TPSA	9.2
1479277	Defined_Bond_Stereo_Count	0
3797915	Hydrogen_Bond_Acceptor_Count	1
6509979	Exact_Mass	809.4480897
887830	Rotatable_Bond_Count	3
108054	TPSA	1
2585	Defined_Bond_Stereo_Count	0
197839	Defined_Atom_Stereo_Count	0
66588767	XLogP3-AA	2.5
4630917	Covalent_Unit_Count	1
56673551	Defined_Bond_Stereo_Count	0
8150	Hydrogen_Bond_Acceptor_Count	3
2734225	Molecular_Weight	258.83
33741	Structure_Complexity	282
3453	Defined_Atom_Stereo_Count	0
84071885	Exact_Mass	116.058577502
39912	Total_Formal_Charge	0
963715	Hydrogen_Bond_Donor_Count	1
165906267	Hydrogen_Bond_Donor_Count	2
65677	Undefined_Atom_Stereo_Count	0
31388	Mono_Isotopic_Weight	204.9964274
1204288	Undefined_Atom_Stereo_Count	0
22643188	Covalent_Unit_Count	1
39911	Mono_Isotopic_Weight	337.18892296
148201	Undefined_Atom_Stereo_Count	0
12136798	Total_Formal_Charge	0
31247	TPSA	26.3
65605	Exact_Mass	364.17869263
5287620	Structure_Complexity	388
132274082	Undefined_Atom_Stereo_Count	2
55286629	Mono_Isotopic_Weight	96.068748264
17572160	Total_Formal_Charge	0
9883915	Isotope_Atom_Count	0
11073351	Hydrogen_Bond_Donor_Count	0
12425308	Hydrogen_Bond_Acceptor_Count	3
3901	Exact_Mass	566.36073931
12251381	Non-hydrogen_Atom_Count	8
137658	Defined_Atom_Stereo_Count	0
31312	Structure_Complexity	880
66169	Hydrogen_Bond_Acceptor_Count	2
12420192	Hydrogen_Bond_Donor_Count	1
90487871	Molecular_Weight	111.14
172285	Isotope_Atom_Count	0
135498233	Defined_Atom_Stereo_Count	0
403803	Structure_Complexity	1040
9609	Hydrogen_Bond_Acceptor_Count	1
10021783	Molecular_Weight	366.3
20680013	Non-hydrogen_Atom_Count	8
19994812	Hydrogen_Bond_Acceptor_Count	3
2296	TPSA	114
155774	Tautomer_Count	10
11304743	Molecular_Weight	422.4
67233382	Rotatable_Bond_Count	3
90495	Total_Formal_Charge	0
14986	Tautomer_Count	9
10007	Exact_Mass	183.0814771
39624	Molecular_Weight	353.8
878	Molecular_Weight	48.11
9959269	Defined_Bond_Stereo_Count	0
76004	Total_Formal_Charge	0
10569	Isotope_Atom_Count	0
5287540	Undefined_Bond_Stereo_Count	0
166572	Defined_Bond_Stereo_Count	0
52997	Isotope_Atom_Count	0
2673	XLogP3	0.4
54180751	Structure_Complexity	85.4
10969	Covalent_Unit_Count	2
5283736	Hydrogen_Bond_Donor_Count	3
668	Isotope_Atom_Count	0
23545756	Total_Formal_Charge	0
9993	Covalent_Unit_Count	1
18338549	Hydrogen_Bond_Acceptor_Count	2
968609	Rotatable_Bond_Count	4
12175949	Non-hydrogen_Atom_Count	29
42614	TPSA	104
130124973	Isotope_Atom_Count	0
6436606	Undefined_Bond_Stereo_Count	0
22224184	Defined_Atom_Stereo_Count	0
3036235	TPSA	141
3033673	Rotatable_Bond_Count	5
16214946	Structure_Complexity	759
11725766	Hydrogen_Bond_Acceptor_Count	3
11976366	Mono_Isotopic_Weight	334.14814140
56949747	Rotatable_Bond_Count	3
108147	Molecular_Weight	842.0
10049	Molecular_Weight	154.25
124149361	Covalent_Unit_Count	1
443753	TPSA	219
2846928	Structure_Complexity	230
5356785	XLogP3	4.8
4163	Defined_Atom_Stereo_Count	0
556371	Isotope_Atom_Count	0
598427	TPSA	12
46930044	Isotope_Atom_Count	0
444913	Molecular_Weight	972.8
1884	Non-hydrogen_Atom_Count	15
24642	Structure_Complexity	2
690109	Covalent_Unit_Count	1
11434915	Total_Formal_Charge	0
52919	TPSA	46.6
123959	Molecular_Weight	950.1
123234407	Hydrogen_Bond_Donor_Count	1
6405	Total_Formal_Charge	0
38945	Total_Formal_Charge	0
25622	Undefined_Bond_Stereo_Count	0
122198140	Undefined_Bond_Stereo_Count	0
8540	Hydrogen_Bond_Donor_Count	1
6850813	Exact_Mass	255.162314293
86439	TPSA	90.6
124328800	Total_Formal_Charge	0
12760717	Exact_Mass	98.059246208
8748	Molecular_Weight	154.25
40100	TPSA	144
90451	Tautomer_Count	1
15634681	Hydrogen_Bond_Donor_Count	1
657250	Hydrogen_Bond_Acceptor_Count	14
141350819	Structure_Complexity	107
91610	Covalent_Unit_Count	1
2812075	Rotatable_Bond_Count	4
444031	Covalent_Unit_Count	1
12567226	Defined_Bond_Stereo_Count	0
57303454	Non-hydrogen_Atom_Count	7
61892972	Exact_Mass	99.104799419
4487	Defined_Bond_Stereo_Count	0
115000	TPSA	61.9
456389	Undefined_Atom_Stereo_Count	1
140069478	Defined_Atom_Stereo_Count	0
5009	Molecular_Weight	323.4
3151	Hydrogen_Bond_Acceptor_Count	3
69061828	Undefined_Atom_Stereo_Count	0
3034285	XLogP3-AA	3.7
54149606	Defined_Bond_Stereo_Count	0
50	Molecular_Weight	194.14
13245088	Mono_Isotopic_Weight	114.068079557
22036716	Covalent_Unit_Count	1
6316	Isotope_Atom_Count	0
92850	Undefined_Bond_Stereo_Count	0
62485	Structure_Complexity	417
158343497	Defined_Bond_Stereo_Count	0
225936	TPSA	40.5
10997120	Isotope_Atom_Count	0
150309	Mono_Isotopic_Weight	303.162314293
235269	Exact_Mass	293.91375
5257437	Defined_Bond_Stereo_Count	0
160439	Undefined_Atom_Stereo_Count	0
449593	Exact_Mass	118.086803626
522596	Isotope_Atom_Count	0
59503411	Rotatable_Bond_Count	1
91895934	Undefined_Atom_Stereo_Count	0
80507	Mono_Isotopic_Weight	104.047344113
6652	Molecular_Weight	204.31
266742	Undefined_Bond_Stereo_Count	0
86632359	Undefined_Atom_Stereo_Count	1
221	TPSA	177
23916	Mono_Isotopic_Weight	140.156500638
53346603	Isotope_Atom_Count	0
66559276	Isotope_Atom_Count	0
96490	Defined_Bond_Stereo_Count	0
855556	Non-hydrogen_Atom_Count	20
71242808	Total_Formal_Charge	0
3246155	Structure_Complexity	433
99486	Structure_Complexity	873
10335364	Isotope_Atom_Count	0
38258	Covalent_Unit_Count	1
14107712	Non-hydrogen_Atom_Count	20
145391309	Mono_Isotopic_Weight	101.047678466
134836185	TPSA	35.2
46856376	Rotatable_Bond_Count	0
46780884	Defined_Atom_Stereo_Count	0
6432469	Tautomer_Count	3
19828862	Undefined_Atom_Stereo_Count	0
91397067	Undefined_Atom_Stereo_Count	3
90488715	Defined_Atom_Stereo_Count	10
70128954	Hydrogen_Bond_Acceptor_Count	1
447021	Defined_Bond_Stereo_Count	0
16682828	TPSA	26.3
16760	TPSA	50.7
367985	XLogP3-AA	2.9
49862517	Defined_Bond_Stereo_Count	0
62705687	TPSA	126
57136377	Structure_Complexity	62.7
82418987	Mono_Isotopic_Weight	111.068413911
961192	Defined_Bond_Stereo_Count	0
54736666	Hydrogen_Bond_Acceptor_Count	18
516910	Structure_Complexity	13.5
59774	Defined_Bond_Stereo_Count	0
91819969	XLogP3-AA	0.6
12358497	Rotatable_Bond_Count	0
26248	TPSA	124
18522786	Exact_Mass	109.052763847
123783729	Hydrogen_Bond_Acceptor_Count	1
37274	Defined_Atom_Stereo_Count	0
2572	Mono_Isotopic_Weight	175.08445790
14869	XLogP3	3.9
11188898	Molecular_Weight	404.5
9547196	Defined_Bond_Stereo_Count	0
139062526	Molecular_Weight	308.22
135554980	Exact_Mass	87.006876283
68365445	Mono_Isotopic_Weight	112.027277375
85786508	TPSA	20.2
1274476	Exact_Mass	99.068413911
71517529	Undefined_Bond_Stereo_Count	0
71312306	Rotatable_Bond_Count	0
55276371	Rotatable_Bond_Count	0
10932	TPSA	63.3
6918485	Hydrogen_Bond_Acceptor_Count	8
47649	Rotatable_Bond_Count	2
8882	Defined_Atom_Stereo_Count	0
5005	Non-hydrogen_Atom_Count	32
146689208	Defined_Atom_Stereo_Count	0
444655	Non-hydrogen_Atom_Count	9
210328	TPSA	101
133662560	TPSA	110
2101	Rotatable_Bond_Count	2
24663	Undefined_Bond_Stereo_Count	0
10986	Structure_Complexity	25.5
46880369	Undefined_Atom_Stereo_Count	0
16907	Rotatable_Bond_Count	2
83045	Tautomer_Count	1
153274329	Covalent_Unit_Count	1
2378	TPSA	17.8
9846588	Isotope_Atom_Count	0
45271369	Molecular_Weight	367.5
98053103	Defined_Atom_Stereo_Count	3
12517392	Undefined_Atom_Stereo_Count	0
57340472	Isotope_Atom_Count	0
75538	Total_Formal_Charge	0
3940	Defined_Atom_Stereo_Count	0
53643899	Mono_Isotopic_Weight	158.05790880
6518	Structure_Complexity	311
16051	Hydrogen_Bond_Donor_Count	0
671175	Hydrogen_Bond_Acceptor_Count	4
8681	Rotatable_Bond_Count	4
9869218	Hydrogen_Bond_Donor_Count	2
638083	Covalent_Unit_Count	1
20200448	Molecular_Weight	112.13
91433828	XLogP3-AA	4
8749	Exact_Mass	150.079312947
5311066	Molecular_Weight	416.5
3032279	Defined_Atom_Stereo_Count	0
638278	Hydrogen_Bond_Donor_Count	3
18705389	Undefined_Atom_Stereo_Count	1
21800	Tautomer_Count	6
884462	Total_Formal_Charge	0
73742	Mono_Isotopic_Weight	144.068748264
94403	Molecular_Weight	264.4
58513815	Structure_Complexity	70.1
9843744	Covalent_Unit_Count	1
521280	Tautomer_Count	1
251219	Exact_Mass	226.15689456
129803162	Undefined_Atom_Stereo_Count	1
11461044	Structure_Complexity	178
72014	Covalent_Unit_Count	1
10510831	XLogP3-AA	0.6
142798	Mono_Isotopic_Weight	108.093900383
3073	Non-hydrogen_Atom_Count	11
929	Total_Formal_Charge	1
12560816	Rotatable_Bond_Count	0
85960	Hydrogen_Bond_Acceptor_Count	4
99451	Total_Formal_Charge	0
92786	Defined_Atom_Stereo_Count	8
6603836	Total_Formal_Charge	0
74408664	Non-hydrogen_Atom_Count	36
38706	Non-hydrogen_Atom_Count	12
51029603	Hydrogen_Bond_Donor_Count	0
24973879	Exact_Mass	110.109550447
68026923	Structure_Complexity	130
66252	Undefined_Bond_Stereo_Count	0
9871420	XLogP3-AA	3
6951123	Covalent_Unit_Count	1
86076207	Rotatable_Bond_Count	3
13816	Hydrogen_Bond_Donor_Count	2
12867435	Total_Formal_Charge	0
124426477	Isotope_Atom_Count	0
72172	Total_Formal_Charge	0
5702096	Tautomer_Count	8
131709156	Covalent_Unit_Count	5
17435	Mono_Isotopic_Weight	320.03058836
10290	Undefined_Bond_Stereo_Count	0
10254	Mono_Isotopic_Weight	148.088815002
826843	Structure_Complexity	369
7608	Hydrogen_Bond_Donor_Count	1
24771766	Rotatable_Bond_Count	0
9793705	XLogP3-AA	0.5
161729	Total_Formal_Charge	0
141295139	XLogP3-AA	0.7
91591	Mono_Isotopic_Weight	143.0137915
68535	TPSA	37.3
6918335	Structure_Complexity	1280
34636	Molecular_Weight	442.4
12658877	TPSA	9.2
5494414	Isotope_Atom_Count	0
3500	XLogP3-AA	2.9
44563111	Structure_Complexity	484
230995	Exact_Mass	162.068079557
4583	Molecular_Weight	361.4
87501539	Non-hydrogen_Atom_Count	8
826477	Isotope_Atom_Count	0
77781	Structure_Complexity	152
125110	Total_Formal_Charge	0
699414	Defined_Bond_Stereo_Count	1
44123551	Isotope_Atom_Count	0
404289	Non-hydrogen_Atom_Count	23
25201948	Structure_Complexity	539
529287	Mono_Isotopic_Weight	110.109550447
21766417	Structure_Complexity	58.1
5288209	Rotatable_Bond_Count	6
39874	Total_Formal_Charge	0
10096946	Mono_Isotopic_Weight	486.1128541
14171936	Defined_Atom_Stereo_Count	0
124021837	Defined_Atom_Stereo_Count	0
4822	Rotatable_Bond_Count	0
95866	Defined_Atom_Stereo_Count	0
6084	Mono_Isotopic_Weight	375.1237359
30295	Mono_Isotopic_Weight	265.204179104
4339626	Isotope_Atom_Count	0
54531644	Hydrogen_Bond_Acceptor_Count	2
14129	Isotope_Atom_Count	0
16051951	Defined_Atom_Stereo_Count	9
140796896	Total_Formal_Charge	0
8267	Hydrogen_Bond_Acceptor_Count	4
259751	Hydrogen_Bond_Acceptor_Count	4
5476	Undefined_Atom_Stereo_Count	1
2906	Non-hydrogen_Atom_Count	6
107867	Undefined_Atom_Stereo_Count	1
82326	Undefined_Atom_Stereo_Count	0
82517	Defined_Bond_Stereo_Count	0
116047519	Mono_Isotopic_Weight	113.084063974
21864560	Exact_Mass	1212.68532087
19860177	Total_Formal_Charge	0
9870785	Molecular_Weight	505.0
543706	Hydrogen_Bond_Donor_Count	1
20056950	Isotope_Atom_Count	0
23940	Defined_Atom_Stereo_Count	0
13487	Structure_Complexity	474
36663	Isotope_Atom_Count	0
9865375	Exact_Mass	393.23039385
75050	Exact_Mass	314.318480578
80076	Mono_Isotopic_Weight	92.0028925
54736666	Exact_Mass	934.33559865
56755	Exact_Mass	298.051880
13808289	Undefined_Bond_Stereo_Count	0
11248738	Structure_Complexity	870
21339024	Isotope_Atom_Count	0
24884197	Non-hydrogen_Atom_Count	9
657309	Isotope_Atom_Count	0
23668193	Mono_Isotopic_Weight	68.98267252
12734620	Molecular_Weight	126.20
730852	Isotope_Atom_Count	0
20497487	Hydrogen_Bond_Donor_Count	0
5702114	Isotope_Atom_Count	0
5367222	Tautomer_Count	1
4092	Undefined_Atom_Stereo_Count	1
8969	Rotatable_Bond_Count	2
5352905	Rotatable_Bond_Count	3
10435916	Structure_Complexity	877
4330531	XLogP3-AA	0.6
72854	Defined_Bond_Stereo_Count	0
74441105	XLogP3-AA	1.8
38286	Exact_Mass	327.1237359
20463	Total_Formal_Charge	0
16080117	Rotatable_Bond_Count	2
136159800	Exact_Mass	110.02286070
123603692	Non-hydrogen_Atom_Count	8
156614100	Covalent_Unit_Count	3
142773668	Total_Formal_Charge	0
11630056	Defined_Bond_Stereo_Count	0
73162904	Exact_Mass	326.169686
12659781	Non-hydrogen_Atom_Count	6
62495	Mono_Isotopic_Weight	325.16779360
106823823	Defined_Bond_Stereo_Count	0
295971	Tautomer_Count	1
9300	Undefined_Bond_Stereo_Count	0
159289	Mono_Isotopic_Weight	333.08956053
71593	Defined_Atom_Stereo_Count	0
91285707	Defined_Atom_Stereo_Count	0
18430686	Isotope_Atom_Count	0
73913	Hydrogen_Bond_Acceptor_Count	5
10167713	Structure_Complexity	1020
12095226	Non-hydrogen_Atom_Count	23
505	Undefined_Atom_Stereo_Count	4
65429	Rotatable_Bond_Count	6
9934643	Non-hydrogen_Atom_Count	34
148673	Structure_Complexity	601
12151528	Hydrogen_Bond_Acceptor_Count	2
53424628	Hydrogen_Bond_Donor_Count	1
10953443	Undefined_Atom_Stereo_Count	0
90169	Hydrogen_Bond_Acceptor_Count	6
3037886	Rotatable_Bond_Count	0
638097	Covalent_Unit_Count	1
43184	Undefined_Bond_Stereo_Count	0
299	Structure_Complexity	631
6926437	Hydrogen_Bond_Acceptor_Count	3
25235747	Defined_Bond_Stereo_Count	0
601293	XLogP3	2.9
39176	Molecular_Weight	114.19
20190406	Non-hydrogen_Atom_Count	8
441243	Rotatable_Bond_Count	13
54522	XLogP3	3.1
9168	XLogP3	8.2
87869	Exact_Mass	288.0444070
182645	Tautomer_Count	1
9862176	Structure_Complexity	335
6908	TPSA	0
87474167	Hydrogen_Bond_Donor_Count	1
72941505	Rotatable_Bond_Count	7
60209583	Exact_Mass	380.17360725
22391	TPSA	20.3
38103	Undefined_Atom_Stereo_Count	0
50108	Tautomer_Count	1
79642	Isotope_Atom_Count	0
141268723	Hydrogen_Bond_Donor_Count	0
167811	Non-hydrogen_Atom_Count	28
2863945	Rotatable_Bond_Count	3
24867561	Defined_Atom_Stereo_Count	3
3082496	Non-hydrogen_Atom_Count	20
11451	TPSA	83
51553	Defined_Bond_Stereo_Count	0
49769064	Undefined_Atom_Stereo_Count	5
75850	Tautomer_Count	2
21496049	Covalent_Unit_Count	1
59799570	Non-hydrogen_Atom_Count	25
7210	Non-hydrogen_Atom_Count	21
83970	Exact_Mass	545.18971080
596805	Undefined_Bond_Stereo_Count	0
23668002	Total_Formal_Charge	0
825877	Non-hydrogen_Atom_Count	15
19027501	Undefined_Atom_Stereo_Count	0
5371578	Undefined_Bond_Stereo_Count	0
519726	TPSA	41.6
88981819	Total_Formal_Charge	0
5364643	Hydrogen_Bond_Acceptor_Count	1
12241083	XLogP3-AA	2.9
10558601	Total_Formal_Charge	0
67707	Defined_Bond_Stereo_Count	0
17182	Total_Formal_Charge	0
521131	Mono_Isotopic_Weight	78.02810645
4428	Hydrogen_Bond_Acceptor_Count	5
19884492	Non-hydrogen_Atom_Count	7
129027658	Structure_Complexity	103
54392998	TPSA	38.3
11194307	XLogP3-AA	2.5
136183446	TPSA	149
10964444	Isotope_Atom_Count	0
13787747	Covalent_Unit_Count	3
6537099	Covalent_Unit_Count	1
42006	Rotatable_Bond_Count	2
5536	Isotope_Atom_Count	0
23677992	Tautomer_Count	4
8566	Exact_Mass	808.8803
17857	Isotope_Atom_Count	0
54023308	XLogP3-AA	1.3
74210	Undefined_Atom_Stereo_Count	0
67547	Rotatable_Bond_Count	12
1792	Defined_Bond_Stereo_Count	0
73415798	Covalent_Unit_Count	3
21998472	Non-hydrogen_Atom_Count	15
154478098	Rotatable_Bond_Count	0
222	Undefined_Bond_Stereo_Count	0
447466	Isotope_Atom_Count	0
54086435	Hydrogen_Bond_Donor_Count	4
83779	Covalent_Unit_Count	1
23627460	Isotope_Atom_Count	0
6854	Exact_Mass	167.073499291
453915	Defined_Bond_Stereo_Count	0
3140955	Total_Formal_Charge	0
69437	Exact_Mass	332.156500638
73356082	Rotatable_Bond_Count	118
67493918	Hydrogen_Bond_Acceptor_Count	2
2904	Mono_Isotopic_Weight	379.0427261
5319022	Defined_Bond_Stereo_Count	1
7336	Total_Formal_Charge	0
3803614	Defined_Atom_Stereo_Count	0
9948102	Hydrogen_Bond_Acceptor_Count	2
442294	Mono_Isotopic_Weight	264.13615911
72199624	Mono_Isotopic_Weight	488.1635470
123359	Non-hydrogen_Atom_Count	2
93738	Defined_Bond_Stereo_Count	0
167811	Mono_Isotopic_Weight	407.18616006
157917	Molecular_Weight	648.2
129638348	Rotatable_Bond_Count	0
669846	Isotope_Atom_Count	0
68672	Undefined_Atom_Stereo_Count	1
74724	Total_Formal_Charge	0
8197	Exact_Mass	189.19534575
521928	Non-hydrogen_Atom_Count	24
5460037	Hydrogen_Bond_Donor_Count	11
72199432	Mono_Isotopic_Weight	581.27976659
7594067	Hydrogen_Bond_Acceptor_Count	6
4075158	Rotatable_Bond_Count	11
11256720	Total_Formal_Charge	0
74764517	Isotope_Atom_Count	0
656667	Mono_Isotopic_Weight	541.1979634
5544	Isotope_Atom_Count	0
12358851	Defined_Atom_Stereo_Count	3
47328	Defined_Atom_Stereo_Count	1
45874	Undefined_Atom_Stereo_Count	1
950975	Defined_Atom_Stereo_Count	0
60155182	Hydrogen_Bond_Donor_Count	0
10838895	Hydrogen_Bond_Acceptor_Count	8
5068715	Exact_Mass	762.13755881
10895	Covalent_Unit_Count	1
657004	Hydrogen_Bond_Acceptor_Count	5
135977933	Isotope_Atom_Count	1
16280	Isotope_Atom_Count	0
3034010	Defined_Bond_Stereo_Count	0
9915	Isotope_Atom_Count	0
52945793	Non-hydrogen_Atom_Count	30
60196281	Tautomer_Count	28
118504287	Isotope_Atom_Count	0
9570071	Hydrogen_Bond_Donor_Count	1
12211561	Isotope_Atom_Count	0
70693519	TPSA	80.4
23757	Molecular_Weight	385.4
67367781	Molecular_Weight	442.5
83756	Hydrogen_Bond_Acceptor_Count	4
16109396	XLogP3-AA	2.6
70774	Defined_Bond_Stereo_Count	0
20056440	Rotatable_Bond_Count	4
65874	XLogP3-AA	2.6
65667	Undefined_Bond_Stereo_Count	0
56256	Mono_Isotopic_Weight	210.06806746
21951770	Hydrogen_Bond_Acceptor_Count	5
24769	Defined_Bond_Stereo_Count	0
92279	Undefined_Atom_Stereo_Count	0
78000	Defined_Atom_Stereo_Count	3
3536595	Undefined_Bond_Stereo_Count	0
73376	Undefined_Bond_Stereo_Count	0
69674285	Molecular_Weight	112.17
25324	Hydrogen_Bond_Acceptor_Count	2
23204	Total_Formal_Charge	0
166572	XLogP3	2.1
142403638	TPSA	44
6028462	Molecular_Weight	84.12
99129	XLogP3-AA	0.1
12385068	Hydrogen_Bond_Donor_Count	0
71391	Undefined_Bond_Stereo_Count	0
13315542	Isotope_Atom_Count	0
351770	Tautomer_Count	2
53479	Defined_Atom_Stereo_Count	0
105427064	Molecular_Weight	116.11
11321894	Covalent_Unit_Count	1
12786810	Total_Formal_Charge	0
9828310	Non-hydrogen_Atom_Count	37
91489	Hydrogen_Bond_Acceptor_Count	3
19828862	Isotope_Atom_Count	0
21441185	Defined_Bond_Stereo_Count	0
38911	Undefined_Atom_Stereo_Count	0
124220089	Exact_Mass	416.32904526
220	Total_Formal_Charge	0
442348	Covalent_Unit_Count	1
69288	Isotope_Atom_Count	0
21914607	Exact_Mass	99.104799419
3797	Hydrogen_Bond_Donor_Count	0
9908306	Isotope_Atom_Count	0
114751	Undefined_Atom_Stereo_Count	2
98723	Defined_Atom_Stereo_Count	0
22323434	Structure_Complexity	551
57583195	Mono_Isotopic_Weight	101.084063974
16307	Undefined_Atom_Stereo_Count	0
35958	Tautomer_Count	1
59189978	Undefined_Atom_Stereo_Count	0
17882722	Hydrogen_Bond_Donor_Count	0
68727	Hydrogen_Bond_Acceptor_Count	2
314195	Exact_Mass	110.073164938
4993	Hydrogen_Bond_Donor_Count	2
11010340	TPSA	63.6
6093241	Tautomer_Count	1
971	Molecular_Weight	90.03
52950190	TPSA	102
11181837	XLogP3-AA	13.6
129991	Isotope_Atom_Count	0
86222	Non-hydrogen_Atom_Count	26
118461690	Undefined_Atom_Stereo_Count	2
172198	Molecular_Weight	1046.2
154689	Exact_Mass	285.19534575
54746	Undefined_Atom_Stereo_Count	0
14520	Undefined_Bond_Stereo_Count	0
9916	Hydrogen_Bond_Acceptor_Count	3
67278	Tautomer_Count	1
140334	Total_Formal_Charge	0
3034024	Non-hydrogen_Atom_Count	21
21872002	Undefined_Atom_Stereo_Count	0
14142596	Defined_Bond_Stereo_Count	0
87505	Total_Formal_Charge	1
71530	Molecular_Weight	333.24
123895	Defined_Atom_Stereo_Count	1
13624278	Hydrogen_Bond_Acceptor_Count	3
184820	Covalent_Unit_Count	1
158974	Non-hydrogen_Atom_Count	22
5709759	Tautomer_Count	1
2734664	Molecular_Weight	140.25
12539007	Structure_Complexity	157
31170	Rotatable_Bond_Count	0
55748	Hydrogen_Bond_Acceptor_Count	4
21816393	XLogP3-AA	0.4
14117201	Defined_Bond_Stereo_Count	0
65216	Exact_Mass	422.1608497
15681557	TPSA	106
54738	Rotatable_Bond_Count	3
13932	Total_Formal_Charge	0
92855	Defined_Atom_Stereo_Count	6
398637	Isotope_Atom_Count	0
71587637	Mono_Isotopic_Weight	425.06122
68059	Undefined_Atom_Stereo_Count	0
13659	Hydrogen_Bond_Donor_Count	0
12200971	Exact_Mass	117.078978594
4630	XLogP3-AA	0.4
627254	Undefined_Bond_Stereo_Count	0
416	Hydrogen_Bond_Donor_Count	4
113917	Rotatable_Bond_Count	4
69656	Non-hydrogen_Atom_Count	6
11287722	Non-hydrogen_Atom_Count	16
136649217	Exact_Mass	690.11624602
4523766	Exact_Mass	466.111476
123223	Exact_Mass	104.083729621
65844	Defined_Bond_Stereo_Count	0
11164	Rotatable_Bond_Count	1
163727	Undefined_Atom_Stereo_Count	0
6030	Exact_Mass	324.03586699
53317120	Defined_Bond_Stereo_Count	0
72999858	Hydrogen_Bond_Acceptor_Count	5
7842	Rotatable_Bond_Count	0
23341440	Isotope_Atom_Count	0
260495	Undefined_Bond_Stereo_Count	0
714937	Defined_Atom_Stereo_Count	0
447342	Molecular_Weight	499.6
27383	Exact_Mass	271.0975211
38668	Rotatable_Bond_Count	3
130147045	Covalent_Unit_Count	1
6418	Covalent_Unit_Count	1
57392964	Mono_Isotopic_Weight	454.16747650
69091	Defined_Atom_Stereo_Count	0
11768891	Tautomer_Count	1
55291103	Defined_Bond_Stereo_Count	0
129808802	TPSA	26
17863	Exact_Mass	232.92378
69338	Hydrogen_Bond_Donor_Count	1
30930	Structure_Complexity	83.7
87184	Defined_Bond_Stereo_Count	0
1252769	Undefined_Atom_Stereo_Count	0
130993429	Non-hydrogen_Atom_Count	8
138024	Defined_Atom_Stereo_Count	0
721938	Exact_Mass	299.01571
19734140	Defined_Bond_Stereo_Count	0
979919	Non-hydrogen_Atom_Count	24
74802	Defined_Bond_Stereo_Count	0
23675312	Structure_Complexity	713
10761920	Undefined_Atom_Stereo_Count	1
114946	Covalent_Unit_Count	1
70922	Defined_Atom_Stereo_Count	0
227112	Hydrogen_Bond_Donor_Count	2
135546482	Rotatable_Bond_Count	2
3641725	Total_Formal_Charge	0
107647	Isotope_Atom_Count	0
49862627	Hydrogen_Bond_Donor_Count	1
74245	Covalent_Unit_Count	1
6433272	Mono_Isotopic_Weight	925.50349992
11734	Mono_Isotopic_Weight	107.9978071
1416	Undefined_Atom_Stereo_Count	2
2752445	Undefined_Atom_Stereo_Count	0
146159249	Mono_Isotopic_Weight	373.22530847
13203	Rotatable_Bond_Count	0
85920	Total_Formal_Charge	0
2073	Non-hydrogen_Atom_Count	24
642110	XLogP3	1.2
4126474	Defined_Atom_Stereo_Count	0
53903478	Rotatable_Bond_Count	1
5284572	Defined_Atom_Stereo_Count	0
18787571	Total_Formal_Charge	0
184321	TPSA	3
60192	Hydrogen_Bond_Acceptor_Count	4
72199784	XLogP3-AA	5.6
56841653	Hydrogen_Bond_Donor_Count	5
86063	Undefined_Bond_Stereo_Count	0
123314224	Undefined_Bond_Stereo_Count	0
135449328	Non-hydrogen_Atom_Count	31
497100	Rotatable_Bond_Count	2
91582439	Isotope_Atom_Count	0
135481969	Hydrogen_Bond_Donor_Count	3
139356	Defined_Atom_Stereo_Count	0
138975	Molecular_Weight	194.19
330654	Isotope_Atom_Count	0
18736304	Defined_Atom_Stereo_Count	0
5521	Mono_Isotopic_Weight	161.06056562
20758492	Mono_Isotopic_Weight	483.96852877
328257	Rotatable_Bond_Count	0
47170034	Undefined_Bond_Stereo_Count	0
76038	Isotope_Atom_Count	0
65601	Undefined_Atom_Stereo_Count	0
131801109	Structure_Complexity	1310
3966	Mono_Isotopic_Weight	234.209598838
129752646	Molecular_Weight	395.4
10245972	Covalent_Unit_Count	1
9548816	TPSA	102
32169	TPSA	95.7
2750	Mono_Isotopic_Weight	333.13986477
7341	Exact_Mass	116.083729621
12233	Structure_Complexity	42.6
117217480	Undefined_Atom_Stereo_Count	0
533933	Total_Formal_Charge	0
11332430	Mono_Isotopic_Weight	109.063997236
65731	Undefined_Bond_Stereo_Count	0
5284419	Exact_Mass	624.20542044
642326	Exact_Mass	99.104799419
4895	Structure_Complexity	827
135536952	Structure_Complexity	1100
20483	Exact_Mass	185.98429308
5282706	Defined_Bond_Stereo_Count	1
146683214	Isotope_Atom_Count	0
54066875	Rotatable_Bond_Count	3
8373	Total_Formal_Charge	0
12967	Total_Formal_Charge	0
165687912	Hydrogen_Bond_Donor_Count	0
3140	Isotope_Atom_Count	0
53326857	XLogP3-AA	2.3
26130	TPSA	62.8
101176453	Molecular_Weight	1034.2
5603	XLogP3	2.4
258030	Molecular_Weight	127.57
5280981	Defined_Atom_Stereo_Count	0
14220	Undefined_Atom_Stereo_Count	1
62078	Total_Formal_Charge	0
71308696	Isotope_Atom_Count	0
125468	Exact_Mass	100.052429494
128600	Structure_Complexity	481
123840004	Isotope_Atom_Count	0
80788	Mono_Isotopic_Weight	453.926795
41376	Undefined_Bond_Stereo_Count	0
493570	Exact_Mass	376.13828437
15528723	TPSA	40.5
3034645	Isotope_Atom_Count	0
12319	Isotope_Atom_Count	0
135417349	Defined_Bond_Stereo_Count	2
11159486	Total_Formal_Charge	0
75786	Undefined_Bond_Stereo_Count	0
54317152	Mono_Isotopic_Weight	112.063662883
44251425	Defined_Atom_Stereo_Count	1
71435578	TPSA	34.1
16220015	Molecular_Weight	360.4
546259	Mono_Isotopic_Weight	192.151415257
2319	Total_Formal_Charge	0
71160	Molecular_Weight	258.35
79037	Isotope_Atom_Count	0
2783176	Exact_Mass	115.02335542
22565	XLogP3-AA	3.1
13610389	Undefined_Bond_Stereo_Count	0
403648	Covalent_Unit_Count	1
1676	Undefined_Atom_Stereo_Count	0
9818479	Mono_Isotopic_Weight	203.105862047
21930923	Total_Formal_Charge	0
76965484	Undefined_Atom_Stereo_Count	0
123895	Defined_Bond_Stereo_Count	0
2799	XLogP3-AA	8.1
73829111	Non-hydrogen_Atom_Count	7
3388710	Exact_Mass	115.00918496
141772581	Total_Formal_Charge	0
13381	Molecular_Weight	140.27
140719461	TPSA	21.6
637090	Mono_Isotopic_Weight	86.036779430
2712	Non-hydrogen_Atom_Count	21
165993043	XLogP3-AA	1.4
534324	Defined_Atom_Stereo_Count	0
8519	Defined_Atom_Stereo_Count	0
3859614	Isotope_Atom_Count	0
9812759	TPSA	2
26710	Undefined_Atom_Stereo_Count	0
6659	Defined_Atom_Stereo_Count	0
441414	Defined_Atom_Stereo_Count	4
72444506	Undefined_Bond_Stereo_Count	0
137609	Molecular_Weight	115.17
10486805	Molecular_Weight	100.12
381117	Hydrogen_Bond_Acceptor_Count	5
5363234	XLogP3-AA	12.1
68168755	Structure_Complexity	134
19430196	Undefined_Atom_Stereo_Count	0
1819	Defined_Atom_Stereo_Count	0
70912	Molecular_Weight	173.21
6659	Rotatable_Bond_Count	2
6436158	Hydrogen_Bond_Donor_Count	3
3467	Total_Formal_Charge	0
20784557	Non-hydrogen_Atom_Count	8
7827	Structure_Complexity	109
9852519	Covalent_Unit_Count	1
656980	Hydrogen_Bond_Acceptor_Count	2
74506	Isotope_Atom_Count	0
16211214	Molecular_Weight	381.4
68530	Molecular_Weight	156.55
13791	Molecular_Weight	356.5
64945	Non-hydrogen_Atom_Count	33
9548611	Defined_Atom_Stereo_Count	0
122706285	Mono_Isotopic_Weight	338.01513155
23667303	Structure_Complexity	736
54230	XLogP3-AA	3.3
5485193	Structure_Complexity	619
5324585	Total_Formal_Charge	0
141814359	Hydrogen_Bond_Acceptor_Count	2
24360	Hydrogen_Bond_Acceptor_Count	5
54160801	Molecular_Weight	98.10
29373	Isotope_Atom_Count	0
54166403	TPSA	29.1
394347	Defined_Bond_Stereo_Count	0
13751953	Mono_Isotopic_Weight	108.032362755
101267493	Non-hydrogen_Atom_Count	46
144525	Isotope_Atom_Count	0
6439447	Mono_Isotopic_Weight	640.20885023
151115	Defined_Bond_Stereo_Count	0
668508	Covalent_Unit_Count	1
11708045	Molecular_Weight	73.05
6604492	Molecular_Weight	525.6
69994	Undefined_Bond_Stereo_Count	0
5370611	Tautomer_Count	3
622606	XLogP3	4.7
16197724	Tautomer_Count	986
20930	Undefined_Bond_Stereo_Count	1
60871	Hydrogen_Bond_Donor_Count	1
20100130	Exact_Mass	257.05104977
866	Hydrogen_Bond_Acceptor_Count	4
25612	Mono_Isotopic_Weight	156.151415257
12705044	Covalent_Unit_Count	1
29498	Isotope_Atom_Count	0
9995236	Mono_Isotopic_Weight	303.99597
59827440	Structure_Complexity	403
72618469	Defined_Bond_Stereo_Count	0
75982	Hydrogen_Bond_Acceptor_Count	3
74823	Mono_Isotopic_Weight	246.0447573
119058013	Tautomer_Count	6
92319	Structure_Complexity	284
466151	Hydrogen_Bond_Acceptor_Count	8
736282	TPSA	40.5
90486	Non-hydrogen_Atom_Count	16
45266545	Exact_Mass	862.09212908
78538	Defined_Atom_Stereo_Count	0
135779804	Mono_Isotopic_Weight	249.0087234
112412	TPSA	50.9
1268111	Rotatable_Bond_Count	4
59531373	Defined_Bond_Stereo_Count	0
7079	Molecular_Weight	269.29
104881	Total_Formal_Charge	0
524314	Non-hydrogen_Atom_Count	11
77949	Defined_Bond_Stereo_Count	0
24848788	Defined_Atom_Stereo_Count	0
15073	XLogP3-AA	0.6
223866	Exact_Mass	408.20490738
56841013	Mono_Isotopic_Weight	548.03898
18403043	Molecular_Weight	499.5
219020	Hydrogen_Bond_Acceptor_Count	3
4797	Undefined_Bond_Stereo_Count	0
21354407	Non-hydrogen_Atom_Count	8
5480	Defined_Atom_Stereo_Count	0
89334461	TPSA	93.2
123133923	Molecular_Weight	178.14
13415148	TPSA	61.4
594	Hydrogen_Bond_Acceptor_Count	4
76830	Mono_Isotopic_Weight	256.98298323
115368	Hydrogen_Bond_Donor_Count	0
298107	Rotatable_Bond_Count	11
344693	Hydrogen_Bond_Donor_Count	1
14168316	TPSA	75.8
83335	Tautomer_Count	1
143506727	Undefined_Atom_Stereo_Count	1
54580	TPSA	106
16115747	Molecular_Weight	420.5
8739	Mono_Isotopic_Weight	201.00957888
76583	Hydrogen_Bond_Donor_Count	0
87110	Exact_Mass	151.0188769
4514	Exact_Mass	412.1302182
12695916	TPSA	17.1
9844557	XLogP3-AA	6.5
5281082	Structure_Complexity	659
71911	Covalent_Unit_Count	1
72281	Covalent_Unit_Count	1
20488107	Exact_Mass	139.04557046
590130	Total_Formal_Charge	0
442872	Rotatable_Bond_Count	0
66184	Isotope_Atom_Count	0
15842092	Isotope_Atom_Count	0
6319	Undefined_Bond_Stereo_Count	0
9832383	Defined_Atom_Stereo_Count	2
10096344	Defined_Bond_Stereo_Count	0
123749022	Mono_Isotopic_Weight	86.084398327
78362	Mono_Isotopic_Weight	158.011627311
64594	Structure_Complexity	562
10329946	Exact_Mass	181.06674293
12539494	Exact_Mass	94.078250319
71395877	TPSA	0
13737991	Molecular_Weight	88.11
89735852	Defined_Atom_Stereo_Count	6
9821383	Rotatable_Bond_Count	9
58475	Hydrogen_Bond_Acceptor_Count	2
20711973	Hydrogen_Bond_Acceptor_Count	0
11069215	Undefined_Bond_Stereo_Count	0
75320	Structure_Complexity	176
2995	Isotope_Atom_Count	0
538333	Defined_Bond_Stereo_Count	0
436520	XLogP3-AA	8.7
5282443	Structure_Complexity	336
59185552	TPSA	37.4
7569	Non-hydrogen_Atom_Count	29
12242	Isotope_Atom_Count	0
20633892	Exact_Mass	112.088815002
1605	Isotope_Atom_Count	0
20752353	TPSA	12.5
440918	Defined_Bond_Stereo_Count	0
6148	Covalent_Unit_Count	1
400189	Undefined_Atom_Stereo_Count	1
9801640	Rotatable_Bond_Count	6
46934729	Defined_Atom_Stereo_Count	0
53983207	Undefined_Bond_Stereo_Count	1
5311052	Molecular_Weight	410.9
100524	Isotope_Atom_Count	0
6420050	Exact_Mass	341.1605153
60196430	Total_Formal_Charge	0
104048363	Mono_Isotopic_Weight	107.048347172
3060	XLogP3	3.4
124087	Structure_Complexity	425
79314	Hydrogen_Bond_Acceptor_Count	3
11933	Undefined_Bond_Stereo_Count	0
8316	Isotope_Atom_Count	0
31205	Hydrogen_Bond_Donor_Count	0
64781	Hydrogen_Bond_Acceptor_Count	7
6420	Total_Formal_Charge	0
10704	Total_Formal_Charge	0
68547	TPSA	99.5
398747	Defined_Atom_Stereo_Count	2
89149682	Molecular_Weight	101.15
27430	Undefined_Bond_Stereo_Count	0
70609968	Rotatable_Bond_Count	1
413494	Undefined_Bond_Stereo_Count	0
29773	Tautomer_Count	1
11374717	Defined_Atom_Stereo_Count	1
6857482	Mono_Isotopic_Weight	222.198365449
7941	Rotatable_Bond_Count	2
71625031	Mono_Isotopic_Weight	487.22711999
222697	Structure_Complexity	77.7
57031137	Rotatable_Bond_Count	0
24860548	Hydrogen_Bond_Donor_Count	3
519849	Covalent_Unit_Count	1
17435	Undefined_Bond_Stereo_Count	0
24977371	Non-hydrogen_Atom_Count	8
54289557	Undefined_Atom_Stereo_Count	0
68002	TPSA	74
11657	Total_Formal_Charge	0
81618	Defined_Atom_Stereo_Count	0
10400	Structure_Complexity	76.4
13327	Non-hydrogen_Atom_Count	25
18522	Defined_Bond_Stereo_Count	0
79846	Hydrogen_Bond_Acceptor_Count	3
134715456	Non-hydrogen_Atom_Count	29
541123	Exact_Mass	380.19990218
23423	XLogP3-AA	5.5
11960529	Exact_Mass	244.13241115
67611425	XLogP3-AA	1
20056743	Isotope_Atom_Count	0
53361968	Isotope_Atom_Count	0
544588	Covalent_Unit_Count	1
70922	Hydrogen_Bond_Acceptor_Count	2
21908889	Rotatable_Bond_Count	3
67520	Structure_Complexity	37
1276	Defined_Bond_Stereo_Count	0
23674745	Undefined_Bond_Stereo_Count	0
13015037	Exact_Mass	250.05244675
34800	Hydrogen_Bond_Acceptor_Count	2
43636	XLogP3-AA	6.1
262612	TPSA	37.3
12862572	Rotatable_Bond_Count	6
53317120	Total_Formal_Charge	0
17607	Undefined_Bond_Stereo_Count	0
129027658	Hydrogen_Bond_Acceptor_Count	1
1095	Rotatable_Bond_Count	3
2734931	Rotatable_Bond_Count	2
145946920	Molecular_Weight	796.9
4686862	Undefined_Bond_Stereo_Count	0
11777341	Defined_Bond_Stereo_Count	0
17234	Total_Formal_Charge	0
163284980	Hydrogen_Bond_Donor_Count	11
165609608	Exact_Mass	112.088815002
144179158	Defined_Bond_Stereo_Count	0
131428459	Mono_Isotopic_Weight	97.052763847
5748434	TPSA	358
24437	Defined_Atom_Stereo_Count	0
7047	Hydrogen_Bond_Donor_Count	0
78638	Hydrogen_Bond_Acceptor_Count	3
20221840	Defined_Bond_Stereo_Count	0
12184311	Isotope_Atom_Count	0
9690109	Rotatable_Bond_Count	5
23545554	Isotope_Atom_Count	0
703965	Covalent_Unit_Count	1
10709065	Undefined_Bond_Stereo_Count	0
4205687	Rotatable_Bond_Count	1
5790	Hydrogen_Bond_Donor_Count	3
65531	Structure_Complexity	126
10872638	Undefined_Atom_Stereo_Count	0
60196290	Exact_Mass	532.23332757
94937	Exact_Mass	222.08045576
5282168	Rotatable_Bond_Count	10
160078	Structure_Complexity	1560
8575	Mono_Isotopic_Weight	222.08920892
71221	Undefined_Bond_Stereo_Count	0
57667	Isotope_Atom_Count	0
61259	Isotope_Atom_Count	0
125409	Defined_Atom_Stereo_Count	4
10355130	Defined_Atom_Stereo_Count	0
67462100	Covalent_Unit_Count	1
6507255	Non-hydrogen_Atom_Count	21
58373	Undefined_Bond_Stereo_Count	0
72913	Total_Formal_Charge	0
9865223	Rotatable_Bond_Count	4
86042	Hydrogen_Bond_Donor_Count	2
20239	Covalent_Unit_Count	1
56672298	Mono_Isotopic_Weight	405.12594604
636403	XLogP3-AA	6.4
59252	Hydrogen_Bond_Acceptor_Count	3
5461012	Molecular_Weight	253.40
59383280	Undefined_Bond_Stereo_Count	0
14045186	Hydrogen_Bond_Acceptor_Count	2
58375	Rotatable_Bond_Count	5
561488	Molecular_Weight	106.16
9604	Tautomer_Count	1
74168	TPSA	38
129852933	Undefined_Bond_Stereo_Count	0
43601	Undefined_Atom_Stereo_Count	0
54725318	Undefined_Bond_Stereo_Count	0
12130	Hydrogen_Bond_Donor_Count	0
129652927	Total_Formal_Charge	0
123942782	Undefined_Bond_Stereo_Count	0
128872	Defined_Atom_Stereo_Count	0
102131130	Hydrogen_Bond_Donor_Count	1
3025961	Structure_Complexity	251
216345	Molecular_Weight	581.5
115011064	Non-hydrogen_Atom_Count	8
63099	TPSA	0
2576	Covalent_Unit_Count	1
5483	Isotope_Atom_Count	0
75197	Exact_Mass	256.08030146
43513	Undefined_Atom_Stereo_Count	0
52945260	Mono_Isotopic_Weight	353.13103142
131632500	Covalent_Unit_Count	1
1811	Exact_Mass	190.01135253
60207729	Hydrogen_Bond_Donor_Count	1
54585856	Undefined_Atom_Stereo_Count	0
82650934	Undefined_Bond_Stereo_Count	0
10460	Undefined_Atom_Stereo_Count	0
14985552	Exact_Mass	107.073499291
12589332	Isotope_Atom_Count	0
76372196	Undefined_Atom_Stereo_Count	1
5282548	Hydrogen_Bond_Donor_Count	0
26721	Defined_Bond_Stereo_Count	0
119097554	XLogP3-AA	0.7
2566	Undefined_Bond_Stereo_Count	0
11640298	Isotope_Atom_Count	0
16224	Hydrogen_Bond_Acceptor_Count	1
69833	Hydrogen_Bond_Acceptor_Count	1
7999	Defined_Bond_Stereo_Count	0
83763	Covalent_Unit_Count	1
91758680	Rotatable_Bond_Count	2
10813654	Hydrogen_Bond_Acceptor_Count	10
12488467	Defined_Bond_Stereo_Count	0
107970	Mono_Isotopic_Weight	307.251129295
12736014	TPSA	88.1
27774	Defined_Atom_Stereo_Count	0
549318	Exact_Mass	96.057514874
130032075	XLogP3-AA	0.8
33929	Structure_Complexity	244
46724	XLogP3-AA	2.6
10336591	Covalent_Unit_Count	1
23599502	TPSA	60.6
10462961	Exact_Mass	783.40948040
2752445	Isotope_Atom_Count	0
62474	Covalent_Unit_Count	1
129891	Defined_Bond_Stereo_Count	0
57399125	Non-hydrogen_Atom_Count	29
12769	Defined_Atom_Stereo_Count	0
6258	Isotope_Atom_Count	0
24901347	Mono_Isotopic_Weight	463.19296297
9699	Total_Formal_Charge	0
129631271	Hydrogen_Bond_Donor_Count	2
532	Undefined_Atom_Stereo_Count	6
14970970	Undefined_Atom_Stereo_Count	1
12346042	Structure_Complexity	43.7
15627	Defined_Atom_Stereo_Count	0
24892842	Isotope_Atom_Count	0
11345692	Total_Formal_Charge	0
184366	Isotope_Atom_Count	0
95902	Undefined_Atom_Stereo_Count	0
5496862	XLogP3-AA	2.7
71024610	Hydrogen_Bond_Donor_Count	8
240	Defined_Bond_Stereo_Count	0
9926639	Total_Formal_Charge	0
16667736	Defined_Bond_Stereo_Count	2
19347790	Rotatable_Bond_Count	0
138023	Undefined_Atom_Stereo_Count	2
15627	Rotatable_Bond_Count	2
10096344	Structure_Complexity	885
6918191	XLogP3-AA	3.1
542305	Exact_Mass	118.099379685
317457	Mono_Isotopic_Weight	112.088815002
24597	Hydrogen_Bond_Acceptor_Count	4
148821664	Defined_Atom_Stereo_Count	0
5826	Rotatable_Bond_Count	2
10678200	Non-hydrogen_Atom_Count	8
359	Non-hydrogen_Atom_Count	9
22725651	Isotope_Atom_Count	0
20087060	Defined_Bond_Stereo_Count	0
5026	Non-hydrogen_Atom_Count	26
36314	Defined_Bond_Stereo_Count	0
3567443	XLogP3-AA	2.3
7732	TPSA	35.2
27492	Defined_Bond_Stereo_Count	0
8881	Undefined_Atom_Stereo_Count	0
9892540	XLogP3-AA	3.8
76092	Non-hydrogen_Atom_Count	11
14453670	TPSA	20.2
101589314	Hydrogen_Bond_Acceptor_Count	4
145707274	Undefined_Bond_Stereo_Count	0
42580058	Total_Formal_Charge	0
123451	Total_Formal_Charge	0
4557	Isotope_Atom_Count	0
10256734	XLogP3-AA	1.8
58265608	Total_Formal_Charge	0
1397	TPSA	72.8
8918	Non-hydrogen_Atom_Count	13
76959035	Hydrogen_Bond_Acceptor_Count	3
2476	Hydrogen_Bond_Acceptor_Count	5
5281025	TPSA	222
11297617	TPSA	248
439503	Total_Formal_Charge	0
20890	Structure_Complexity	153
413534	Rotatable_Bond_Count	4
13940	Hydrogen_Bond_Donor_Count	0
154417	XLogP3	1.8
102959	Exact_Mass	182.05790880
80792	Isotope_Atom_Count	0
53297383	XLogP3	3.2
5284537	Undefined_Atom_Stereo_Count	0
144292374	Defined_Bond_Stereo_Count	0
50878597	Hydrogen_Bond_Acceptor_Count	3
9332	Exact_Mass	219.07727831
115011062	Mono_Isotopic_Weight	114.068079557
6442568	Non-hydrogen_Atom_Count	12
144292366	Hydrogen_Bond_Acceptor_Count	1
25196164	Defined_Bond_Stereo_Count	0
198576	Molecular_Weight	313.5
3653	Undefined_Bond_Stereo_Count	0
57399909	Total_Formal_Charge	0
456	Undefined_Atom_Stereo_Count	0
9961434	Rotatable_Bond_Count	27
197383	Hydrogen_Bond_Donor_Count	1
140568	Exact_Mass	94.078250319
23617864	Mono_Isotopic_Weight	210.161979940
12295224	Hydrogen_Bond_Donor_Count	1
90957	Mono_Isotopic_Weight	716.13357
14654469	Mono_Isotopic_Weight	105.078978594
80385	Total_Formal_Charge	0
44629714	Hydrogen_Bond_Donor_Count	5
65774	Hydrogen_Bond_Acceptor_Count	5
141738	Exact_Mass	96.093900383
7507	Non-hydrogen_Atom_Count	8
54129211	Molecular_Weight	94.11
62237	Mono_Isotopic_Weight	118.04523611
14405863	Covalent_Unit_Count	1
123597	Rotatable_Bond_Count	13
60196394	Isotope_Atom_Count	0
688303	Covalent_Unit_Count	1
101694728	Undefined_Bond_Stereo_Count	0
7177	Rotatable_Bond_Count	8
20056950	Rotatable_Bond_Count	3
718862	Defined_Atom_Stereo_Count	0
44276024	Rotatable_Bond_Count	11
12298493	Exact_Mass	109.052763847
31336	TPSA	71.1
6435500	Total_Formal_Charge	0
5287969	Non-hydrogen_Atom_Count	28
14295	XLogP3	2.4
15805	TPSA	21.7
127516	Tautomer_Count	9
7351	Undefined_Bond_Stereo_Count	0
53259022	XLogP3-AA	4.7
756126	Hydrogen_Bond_Donor_Count	0
2309	XLogP3	2
5360315	Isotope_Atom_Count	0
527559	Undefined_Atom_Stereo_Count	0
74208	Hydrogen_Bond_Acceptor_Count	2
7375	Tautomer_Count	1
19080487	Hydrogen_Bond_Acceptor_Count	1
124770286	Hydrogen_Bond_Acceptor_Count	14
135472946	Undefined_Atom_Stereo_Count	0
56840998	Exact_Mass	418.013115
4369359	Exact_Mass	407.11807909
9844747	Molecular_Weight	415.5
9576410	Undefined_Bond_Stereo_Count	0
78012803	Isotope_Atom_Count	0
12241083	Defined_Atom_Stereo_Count	0
17676	Structure_Complexity	540
16132954	Isotope_Atom_Count	0
16054	Covalent_Unit_Count	1
13220642	Rotatable_Bond_Count	0
599202	Undefined_Atom_Stereo_Count	0
15951420	Defined_Bond_Stereo_Count	0
107918	Mono_Isotopic_Weight	1005.16812503
85610	TPSA	37.5
560256	Covalent_Unit_Count	2
23679441	Tautomer_Count	28
3002820	Hydrogen_Bond_Donor_Count	0
5320191	Covalent_Unit_Count	1
754219	Mono_Isotopic_Weight	304.19509159
101587427	Defined_Atom_Stereo_Count	0
13401731	Total_Formal_Charge	0
3980	Defined_Bond_Stereo_Count	0
6432095	Exact_Mass	31.981587030
5324277	Exact_Mass	87.068413911
88534608	Hydrogen_Bond_Donor_Count	0
3037261	Hydrogen_Bond_Acceptor_Count	3
102590130	Total_Formal_Charge	0
73303	Covalent_Unit_Count	1
594832	Defined_Bond_Stereo_Count	0
44590445	Undefined_Bond_Stereo_Count	0
5281727	Molecular_Weight	256.30
11197	Non-hydrogen_Atom_Count	26
5289517	Isotope_Atom_Count	0
16132283	Hydrogen_Bond_Acceptor_Count	55
45380893	Undefined_Atom_Stereo_Count	0
18618975	Non-hydrogen_Atom_Count	8
42105518	Undefined_Atom_Stereo_Count	0
49798481	Mono_Isotopic_Weight	432.19098865
56673550	Total_Formal_Charge	0
130153178	Hydrogen_Bond_Acceptor_Count	3
18728	Molecular_Weight	427.80
5353646	Hydrogen_Bond_Acceptor_Count	2
156428	Hydrogen_Bond_Donor_Count	4
22833295	Undefined_Bond_Stereo_Count	0
5281104	Non-hydrogen_Atom_Count	30
1923	Exact_Mass	145.052763847
7756	XLogP3-AA	1.5
13757963	Rotatable_Bond_Count	0
10953427	Mono_Isotopic_Weight	91.042199164
130250598	Total_Formal_Charge	0
20772203	TPSA	41.5
123159	Exact_Mass	77.0391251595
138961	XLogP3-AA	1.1
3475	Hydrogen_Bond_Donor_Count	2
68551	Covalent_Unit_Count	2
170249	Non-hydrogen_Atom_Count	10
124021	Defined_Atom_Stereo_Count	5
81415695	Mono_Isotopic_Weight	112.088815002
11648276	XLogP3-AA	5.3
10444765	Undefined_Atom_Stereo_Count	0
92237	TPSA	202
6435068	Rotatable_Bond_Count	11
444022	Tautomer_Count	8
101218360	XLogP3-AA	0.3
49869172	Exact_Mass	404.22122615
77808	Defined_Bond_Stereo_Count	0
93538	Isotope_Atom_Count	0
126664809	Hydrogen_Bond_Acceptor_Count	5
2826713	XLogP3-AA	16
101625661	Total_Formal_Charge	0
133952	Hydrogen_Bond_Acceptor_Count	7
6414	Undefined_Atom_Stereo_Count	0
55851	Hydrogen_Bond_Acceptor_Count	2
7848	Exact_Mass	76.03467143
9930448	Defined_Bond_Stereo_Count	0
409301	Tautomer_Count	1
43905	Undefined_Bond_Stereo_Count	0
114946	Exact_Mass	120.057514874
40605	Exact_Mass	293.01535022
601439	Rotatable_Bond_Count	2
139920	Tautomer_Count	1
44308032	Non-hydrogen_Atom_Count	27
5391	Rotatable_Bond_Count	1
139352	Hydrogen_Bond_Acceptor_Count	3
534918	Isotope_Atom_Count	0
2582	Undefined_Atom_Stereo_Count	0
7807	TPSA	26
38881	Defined_Atom_Stereo_Count	0
241902	Defined_Atom_Stereo_Count	9
57750369	Defined_Atom_Stereo_Count	0
21718901	XLogP3-AA	0.8
66755	Defined_Atom_Stereo_Count	0
129679806	Non-hydrogen_Atom_Count	8
5232618	Mono_Isotopic_Weight	295.217423870
820051	XLogP3-AA	0.2
305	Defined_Atom_Stereo_Count	0
26398	Total_Formal_Charge	0
112039	Tautomer_Count	5
12576851	Covalent_Unit_Count	1
3037582	Total_Formal_Charge	0
144891979	XLogP3-AA	0.8
219601	Undefined_Atom_Stereo_Count	1
180288	Hydrogen_Bond_Donor_Count	4
1714	Non-hydrogen_Atom_Count	23
72775170	Exact_Mass	100.063662883
2267	Defined_Atom_Stereo_Count	0
129752646	Mono_Isotopic_Weight	395.16904453
90657669	Structure_Complexity	1220
305	Rotatable_Bond_Count	2
7232	Total_Formal_Charge	0
74454	Total_Formal_Charge	0
11853779	Undefined_Bond_Stereo_Count	0
68512	Tautomer_Count	10
5929	Isotope_Atom_Count	0
31243	Hydrogen_Bond_Acceptor_Count	1
17499	Undefined_Bond_Stereo_Count	0
12314510	Non-hydrogen_Atom_Count	38
19385693	Exact_Mass	107.048347172
54746	Rotatable_Bond_Count	8
177865	Rotatable_Bond_Count	4
78882	Non-hydrogen_Atom_Count	12
12617365	Structure_Complexity	643
5287	Undefined_Bond_Stereo_Count	5
70697255	Rotatable_Bond_Count	17
23555879	Undefined_Bond_Stereo_Count	0
118210179	Defined_Atom_Stereo_Count	0
14294923	Undefined_Atom_Stereo_Count	2
6918502	Molecular_Weight	499.6
9828356	XLogP3-AA	1
252198	Defined_Bond_Stereo_Count	0
155353470	Structure_Complexity	32.9
376375	Covalent_Unit_Count	1
15221251	Molecular_Weight	322.28
2300	Structure_Complexity	418
146779553	TPSA	0
237413	Defined_Atom_Stereo_Count	2
15266847	Molecular_Weight	113.11
78446	Structure_Complexity	46.1
91412269	Non-hydrogen_Atom_Count	17
5503	Defined_Bond_Stereo_Count	0
6266	Hydrogen_Bond_Donor_Count	0
67553	Mono_Isotopic_Weight	369.18925
6867	Defined_Atom_Stereo_Count	0
54084075	Rotatable_Bond_Count	4
3117	Defined_Atom_Stereo_Count	0
183797	Structure_Complexity	671
118121642	Hydrogen_Bond_Donor_Count	0
16219464	Hydrogen_Bond_Donor_Count	11
22833567	Exact_Mass	318.255880323
969516	Defined_Atom_Stereo_Count	0
44581145	Hydrogen_Bond_Donor_Count	4
99	TPSA	389
441277	Isotope_Atom_Count	0
33039	Mono_Isotopic_Weight	244.08593506
154285117	Covalent_Unit_Count	1
66414	TPSA	49.7
41384	Exact_Mass	380.21336406
54377545	Molecular_Weight	99.13
436497	Isotope_Atom_Count	0
11009	Covalent_Unit_Count	2
154474735	Hydrogen_Bond_Donor_Count	0
8005	Undefined_Bond_Stereo_Count	0
518966	Covalent_Unit_Count	1
73246	TPSA	183
47651	Undefined_Atom_Stereo_Count	0
23599753	Total_Formal_Charge	0
8015	Mono_Isotopic_Weight	68.037448136
2244	Exact_Mass	180.04225873
611370	TPSA	67.2
72187524	Undefined_Bond_Stereo_Count	0
38622	Undefined_Atom_Stereo_Count	1
825744	XLogP3-AA	3.6
55	Exact_Mass	654.53758147
183809	Undefined_Bond_Stereo_Count	0
50993725	Covalent_Unit_Count	1
106823823	Exact_Mass	116.083729621
90957031	Covalent_Unit_Count	1
11073353	Rotatable_Bond_Count	1
5743836	Defined_Bond_Stereo_Count	0
3938668	Rotatable_Bond_Count	15
67240553	Undefined_Atom_Stereo_Count	0
6440180	Defined_Atom_Stereo_Count	4
17027464	Structure_Complexity	675
20055558	TPSA	153
23385063	Isotope_Atom_Count	0
5702049	Defined_Bond_Stereo_Count	0
17928	Rotatable_Bond_Count	0
71584162	Total_Formal_Charge	0
46782362	Undefined_Atom_Stereo_Count	0
238498	Covalent_Unit_Count	1
6426632	Undefined_Bond_Stereo_Count	0
71584285	Exact_Mass	412.15691181
57760	Defined_Atom_Stereo_Count	0
24211936	Hydrogen_Bond_Acceptor_Count	5
11237963	Exact_Mass	535.38862582
134694008	Defined_Bond_Stereo_Count	0
13349549	Rotatable_Bond_Count	0
87595695	Molecular_Weight	100.16
7018	XLogP3	3.7
18668047	Mono_Isotopic_Weight	111.068413911
59164	Mono_Isotopic_Weight	377.14092740
523	Hydrogen_Bond_Acceptor_Count	4
82	Tautomer_Count	1
154982320	Hydrogen_Bond_Acceptor_Count	1
15004	Defined_Bond_Stereo_Count	0
53465918	Rotatable_Bond_Count	6
91267	Hydrogen_Bond_Donor_Count	1
69917	Rotatable_Bond_Count	2
34927	Undefined_Atom_Stereo_Count	0
6437405	Covalent_Unit_Count	1
60152109	Molecular_Weight	691.0
9801597	Structure_Complexity	647
71713948	TPSA	101
22132230	Mono_Isotopic_Weight	102.079312947
461307	Hydrogen_Bond_Acceptor_Count	9
86384	Undefined_Atom_Stereo_Count	0
801132	Non-hydrogen_Atom_Count	25
24096961	Total_Formal_Charge	0
91525	Structure_Complexity	1140
10176108	Covalent_Unit_Count	1
138375	Total_Formal_Charge	0
91805	Rotatable_Bond_Count	1
4679699	Molecular_Weight	188.57
19847	XLogP3-AA	0.2
23058074	Mono_Isotopic_Weight	111.068413911
83390	Exact_Mass	111.104799419
519666	Structure_Complexity	135
271	Rotatable_Bond_Count	0
160889158	Total_Formal_Charge	0
12749319	Undefined_Atom_Stereo_Count	1
5365811	XLogP3-AA	1.2
40605	Hydrogen_Bond_Acceptor_Count	8
19830152	Molecular_Weight	84.07
23657860	Molecular_Weight	342.30
21343371	Mono_Isotopic_Weight	84.057514874
11518241	Undefined_Atom_Stereo_Count	0
62572	Hydrogen_Bond_Donor_Count	1
70682212	Hydrogen_Bond_Donor_Count	1
75806	Molecular_Weight	280.4
117217480	Isotope_Atom_Count	0
45266742	Mono_Isotopic_Weight	258.03787837
11020	Defined_Atom_Stereo_Count	0
69602	Molecular_Weight	153.18
68016	Tautomer_Count	1
66751253	Defined_Atom_Stereo_Count	0
138319323	Total_Formal_Charge	0
21984	Defined_Bond_Stereo_Count	0
160230029	Non-hydrogen_Atom_Count	8
57396951	Mono_Isotopic_Weight	640.25646912
6440871	XLogP3-AA	1.6
25023836	Isotope_Atom_Count	0
9120	Covalent_Unit_Count	1
440966	Mono_Isotopic_Weight	136.125200510
18939579	Isotope_Atom_Count	0
24848261	Mono_Isotopic_Weight	413.1202852
18004304	Hydrogen_Bond_Acceptor_Count	3
52949543	Molecular_Weight	439.4
542556	Structure_Complexity	308
3082754	Defined_Atom_Stereo_Count	1
45084984	Molecular_Weight	110.15
22020761	TPSA	18.5
3346	Exact_Mass	278.02002368
4678317	Molecular_Weight	83.09
84081492	Exact_Mass	114.104465066
11524	Structure_Complexity	62.8
625239	Molecular_Weight	285.3
57148	Hydrogen_Bond_Acceptor_Count	6
44593434	Rotatable_Bond_Count	4
10518	Total_Formal_Charge	0
52921886	Undefined_Atom_Stereo_Count	0
23866	Hydrogen_Bond_Acceptor_Count	0
57938	Total_Formal_Charge	0
86585	Isotope_Atom_Count	0
71795	Defined_Atom_Stereo_Count	2
24892842	Molecular_Weight	339.5
6683	Undefined_Bond_Stereo_Count	0
72257	Tautomer_Count	3
6440728	TPSA	50.9
444450	Hydrogen_Bond_Acceptor_Count	10
20749	TPSA	0
52942108	Total_Formal_Charge	0
21499	Defined_Bond_Stereo_Count	0
173685	Total_Formal_Charge	0
5289289	TPSA	32.3
21078422	Defined_Atom_Stereo_Count	0
57398391	Molecular_Weight	324.4
146157010	TPSA	32.7
8099	Exact_Mass	240.05936535
237873	Defined_Atom_Stereo_Count	0
22169421	Exact_Mass	309.151749610
731361	Undefined_Bond_Stereo_Count	1
2757950	Isotope_Atom_Count	0
67178850	Non-hydrogen_Atom_Count	7
10772937	Hydrogen_Bond_Donor_Count	0
1549103	Total_Formal_Charge	0
11527635	Rotatable_Bond_Count	12
71971	TPSA	41.5
6918663	Hydrogen_Bond_Donor_Count	1
151062	Tautomer_Count	1
360129	Covalent_Unit_Count	1
11182	Undefined_Atom_Stereo_Count	0
71517366	Structure_Complexity	1020
4376	Isotope_Atom_Count	0
93771	Total_Formal_Charge	0
71272	Mono_Isotopic_Weight	392.02910
10424358	Covalent_Unit_Count	1
5281616	Rotatable_Bond_Count	1
89479318	Isotope_Atom_Count	0
2760056	Isotope_Atom_Count	0
129677105	Covalent_Unit_Count	1
86614862	Defined_Bond_Stereo_Count	0
6861	Molecular_Weight	185.22
7108	Non-hydrogen_Atom_Count	14
91820142	Molecular_Weight	665.7
8291	Exact_Mass	264.05514589
10217	Molecular_Weight	337.4
131125742	Hydrogen_Bond_Donor_Count	1
123292394	Hydrogen_Bond_Donor_Count	1
71675	Exact_Mass	259.1127773
28763	Tautomer_Count	2
57394711	XLogP3-AA	3.2
14900	Undefined_Bond_Stereo_Count	0
140203	TPSA	44.2
11571	Rotatable_Bond_Count	0
81595	Structure_Complexity	119
73648	Rotatable_Bond_Count	6
2808	Structure_Complexity	551
91224654	Covalent_Unit_Count	1
46937020	Undefined_Bond_Stereo_Count	0
135391044	Hydrogen_Bond_Acceptor_Count	14
164330	Defined_Bond_Stereo_Count	0
143075695	Isotope_Atom_Count	0
5328791	Covalent_Unit_Count	1
120081	Undefined_Atom_Stereo_Count	0
21979976	Total_Formal_Charge	0
642240	Rotatable_Bond_Count	2
68740500	Rotatable_Bond_Count	3
49866505	TPSA	84.5
5281394	Undefined_Bond_Stereo_Count	0
5352426	Defined_Bond_Stereo_Count	0
12052005	Total_Formal_Charge	0
11000531	Rotatable_Bond_Count	2
207584	Hydrogen_Bond_Acceptor_Count	1
176170	Exact_Mass	249.00006
9247	Isotope_Atom_Count	0
44392111	Exact_Mass	485.26784199
9903853	Total_Formal_Charge	0
14536434	Defined_Bond_Stereo_Count	0
82506	Molecular_Weight	192.21
5363095	TPSA	26.3
23571381	Undefined_Bond_Stereo_Count	0
38221	TPSA	144
15678	Isotope_Atom_Count	0
712421	Structure_Complexity	153
25261	Tautomer_Count	1
137184495	Structure_Complexity	714
20024	Non-hydrogen_Atom_Count	5
49866023	Non-hydrogen_Atom_Count	26
68876	Molecular_Weight	395.9
13415147	Undefined_Atom_Stereo_Count	0
2132	Mono_Isotopic_Weight	375.97859
690730	Rotatable_Bond_Count	1
1053	Tautomer_Count	6
16738693	Total_Formal_Charge	0
76374506	Molecular_Weight	541.6
23675746	Undefined_Atom_Stereo_Count	3
20055283	Rotatable_Bond_Count	17
55298881	Mono_Isotopic_Weight	101.084063974
68603	Exact_Mass	428.1997337
16659682	Rotatable_Bond_Count	6
20072484	Undefined_Bond_Stereo_Count	0
268492	Non-hydrogen_Atom_Count	23
12011	Structure_Complexity	235
16213460	Hydrogen_Bond_Acceptor_Count	4
6350	Covalent_Unit_Count	1
87586559	Structure_Complexity	137
23131983	Molecular_Weight	113.16
10176216	Covalent_Unit_Count	4
109022	Hydrogen_Bond_Donor_Count	3
3073	XLogP3	0.6
50112	Undefined_Atom_Stereo_Count	9
11840927	Exact_Mass	228.09324893
7869	Mono_Isotopic_Weight	112.125200510
36034	Hydrogen_Bond_Acceptor_Count	3
5352624	Rotatable_Bond_Count	4
38286	Covalent_Unit_Count	2
101120059	Hydrogen_Bond_Donor_Count	0
163883593	TPSA	67.8
21766867	Hydrogen_Bond_Donor_Count	0
2201	Undefined_Bond_Stereo_Count	0
11306073	Undefined_Atom_Stereo_Count	0
89545750	Defined_Bond_Stereo_Count	5
5702251	Mono_Isotopic_Weight	234.0326684
89061875	Structure_Complexity	103
54293066	Defined_Bond_Stereo_Count	0
21680715	Undefined_Bond_Stereo_Count	0
448718	Undefined_Atom_Stereo_Count	0
3744	Mono_Isotopic_Weight	189.078978594
92058	Molecular_Weight	186.29
11525	Isotope_Atom_Count	0
12878836	Defined_Bond_Stereo_Count	0
62926	Molecular_Weight	350.4
75317	Undefined_Atom_Stereo_Count	0
5288033	Non-hydrogen_Atom_Count	19
53387504	Defined_Atom_Stereo_Count	2
6451481	Mono_Isotopic_Weight	105.057849228
91488	Total_Formal_Charge	0
18442682	Isotope_Atom_Count	0
21492268	Defined_Atom_Stereo_Count	0
30387	Total_Formal_Charge	0
35136	Rotatable_Bond_Count	1
2724025	Hydrogen_Bond_Acceptor_Count	2
68210	Total_Formal_Charge	0
19111	Defined_Bond_Stereo_Count	0
6884	Non-hydrogen_Atom_Count	11
5309581	TPSA	104
55285488	Undefined_Atom_Stereo_Count	0
54583932	TPSA	54.3
11320921	Non-hydrogen_Atom_Count	8
91590	Exact_Mass	253.13611680
12500872	Hydrogen_Bond_Acceptor_Count	1
11029807	Covalent_Unit_Count	1
516871	Hydrogen_Bond_Acceptor_Count	2
90728	Exact_Mass	116.047344113
68809	Tautomer_Count	1
12114682	Covalent_Unit_Count	3
39521	Undefined_Bond_Stereo_Count	0
18170	TPSA	49.1
658645	Defined_Bond_Stereo_Count	0
124524515	Exact_Mass	342.11621151
54583833	Undefined_Bond_Stereo_Count	0
67108443	Molecular_Weight	341.9
102430914	Undefined_Bond_Stereo_Count	0
123628273	Total_Formal_Charge	0
49837892	Total_Formal_Charge	0
11184839	Defined_Atom_Stereo_Count	0
4237	Non-hydrogen_Atom_Count	25
90488948	Tautomer_Count	6
25263111	Undefined_Bond_Stereo_Count	0
32765	Mono_Isotopic_Weight	393.89280
53470	Isotope_Atom_Count	0
14707	Tautomer_Count	3
12074193	Rotatable_Bond_Count	6
57397775	Total_Formal_Charge	0
62531	Defined_Bond_Stereo_Count	0
5310966	Mono_Isotopic_Weight	211.110947427
3781	Exact_Mass	285.12996879
3631	Defined_Atom_Stereo_Count	0
23279315	Defined_Atom_Stereo_Count	0
657302	Molecular_Weight	274.25
85217	Non-hydrogen_Atom_Count	14
139134	Covalent_Unit_Count	1
102348331	Hydrogen_Bond_Acceptor_Count	2
293676	Defined_Atom_Stereo_Count	0
445892	Rotatable_Bond_Count	2
161729	Hydrogen_Bond_Acceptor_Count	4
24518	Hydrogen_Bond_Donor_Count	0
72941511	TPSA	290
10034991	Exact_Mass	168.078644241
44548149	TPSA	116
5289104	Covalent_Unit_Count	1
4975	XLogP3-AA	1
21903	Hydrogen_Bond_Acceptor_Count	3
2723822	Non-hydrogen_Atom_Count	7
3034047	Tautomer_Count	1
5459958	Exact_Mass	159.06573383
9830667	Isotope_Atom_Count	0
6458	Non-hydrogen_Atom_Count	20
136762	Hydrogen_Bond_Donor_Count	1
118216	Undefined_Atom_Stereo_Count	1
623849	Isotope_Atom_Count	0
104735	Covalent_Unit_Count	1
4034	Structure_Complexity	448
6618	Covalent_Unit_Count	1
135398517	XLogP3-AA	0.3
121285115	Isotope_Atom_Count	0
2775510	Defined_Bond_Stereo_Count	0
42963	Mono_Isotopic_Weight	294.12157168
33498	TPSA	109
34231	Exact_Mass	669.14421716
67901	Hydrogen_Bond_Donor_Count	2
15950086	Exact_Mass	396.15101554
928	Structure_Complexity	1230
64184	Defined_Atom_Stereo_Count	0
716995	Non-hydrogen_Atom_Count	20
13781092	Hydrogen_Bond_Acceptor_Count	6
5283324	Total_Formal_Charge	0
79824	Structure_Complexity	125
3230	Total_Formal_Charge	0
5410	TPSA	43.4
89875063	TPSA	20.2
859	TPSA	221
12607584	Undefined_Bond_Stereo_Count	0
1551246	Covalent_Unit_Count	1
22836365	Structure_Complexity	151
6604893	Exact_Mass	244.08120465
101746	Defined_Atom_Stereo_Count	4
445344	Defined_Bond_Stereo_Count	0
77676	Rotatable_Bond_Count	3
38235	Structure_Complexity	221
15853020	XLogP3-AA	0.3
124701961	Hydrogen_Bond_Acceptor_Count	1
537396	Defined_Bond_Stereo_Count	0
15559317	Exact_Mass	842.51400504
5283305	Mono_Isotopic_Weight	240.245315640
774599	Defined_Atom_Stereo_Count	0
13601826	Defined_Atom_Stereo_Count	0
10657742	Structure_Complexity	315
6700	Isotope_Atom_Count	0
60238	XLogP3-AA	1.1
214347	Molecular_Weight	329.4
8617	XLogP3	2.3
85916	Isotope_Atom_Count	0
53956290	TPSA	117
16741	Covalent_Unit_Count	1
9963430	Defined_Bond_Stereo_Count	0
20333380	Rotatable_Bond_Count	0
103535	Defined_Bond_Stereo_Count	0
6387197	Non-hydrogen_Atom_Count	2
1550489	Non-hydrogen_Atom_Count	7
40846	Undefined_Bond_Stereo_Count	0
8364	Defined_Bond_Stereo_Count	0
933	Undefined_Bond_Stereo_Count	0
5717	Structure_Complexity	1010
133613144	Hydrogen_Bond_Donor_Count	3
3485	Exact_Mass	100.052429494
5238	Exact_Mass	149.89424
30544	Rotatable_Bond_Count	1
5364714	Hydrogen_Bond_Acceptor_Count	2
22103887	Defined_Atom_Stereo_Count	0
13529	TPSA	20.2
16637	XLogP3-AA	0.9
6321225	Non-hydrogen_Atom_Count	52
23282891	Structure_Complexity	298
994360	XLogP3-AA	3.4
62332	Isotope_Atom_Count	0
12524	Structure_Complexity	41.5
118892880	Undefined_Atom_Stereo_Count	0
53323740	Molecular_Weight	300.31
137264	Covalent_Unit_Count	1
22103887	Rotatable_Bond_Count	2
17954	Structure_Complexity	294
101191397	TPSA	26.3
9613	Non-hydrogen_Atom_Count	8
9815326	Undefined_Bond_Stereo_Count	0
66025	Hydrogen_Bond_Acceptor_Count	3
137798	Mono_Isotopic_Weight	166.08162162
136733	Exact_Mass	149.99041897
105056	Exact_Mass	277.14780704
6712744	Hydrogen_Bond_Acceptor_Count	6
69521	XLogP3-AA	0.4
44310775	TPSA	73.3
59567216	Undefined_Atom_Stereo_Count	0
15825450	Mono_Isotopic_Weight	98.073164938
23714647	Rotatable_Bond_Count	2
42540	Molecular_Weight	390.9
450601	Hydrogen_Bond_Acceptor_Count	4
124605148	Exact_Mass	665.30474055
78802	Molecular_Weight	226.10
3315	Hydrogen_Bond_Donor_Count	8
26176	Total_Formal_Charge	0
10440976	Molecular_Weight	983.1
30196	Total_Formal_Charge	0
71821	XLogP3-AA	4.1
6694	Non-hydrogen_Atom_Count	34
33958	Defined_Atom_Stereo_Count	0
90181814	Hydrogen_Bond_Donor_Count	0
9830667	Mono_Isotopic_Weight	629.32470541
2724259	Structure_Complexity	999
179383	Defined_Atom_Stereo_Count	0
137184495	Rotatable_Bond_Count	8
41170	Molecular_Weight	100.16
736366	Hydrogen_Bond_Donor_Count	2
11423572	Hydrogen_Bond_Acceptor_Count	2
689013	Total_Formal_Charge	0
12902	Hydrogen_Bond_Acceptor_Count	1
6307	Exact_Mass	289.0287901
8164	Hydrogen_Bond_Donor_Count	0
67784194	Molecular_Weight	109.09
59968312	Undefined_Atom_Stereo_Count	0
12509715	Isotope_Atom_Count	0
138125	Covalent_Unit_Count	1
118705388	Exact_Mass	460.1565488
44412343	Hydrogen_Bond_Donor_Count	2
69088	Hydrogen_Bond_Acceptor_Count	1
2762918	Hydrogen_Bond_Donor_Count	1
15606	Isotope_Atom_Count	0
44146477	Exact_Mass	371.1499506
10257882	Mono_Isotopic_Weight	592.27194156
179547	Molecular_Weight	144.09
3295461	Covalent_Unit_Count	1
140083	Hydrogen_Bond_Acceptor_Count	1
23379007	Total_Formal_Charge	0
135413546	Molecular_Weight	324.13
101099404	Covalent_Unit_Count	1
1566	Total_Formal_Charge	0
221125	Hydrogen_Bond_Acceptor_Count	9
14060968	XLogP3-AA	0
3083671	Molecular_Weight	282.36
44462786	Hydrogen_Bond_Donor_Count	1
87186939	Rotatable_Bond_Count	1
145706074	Undefined_Atom_Stereo_Count	25
440068	Exact_Mass	434.24334058
18600476	Defined_Bond_Stereo_Count	0
118855925	Defined_Atom_Stereo_Count	4
92247	Exact_Mass	368.401816278
11205720	Undefined_Atom_Stereo_Count	0
5250834	Defined_Atom_Stereo_Count	0
969105	Structure_Complexity	423
72032	Undefined_Bond_Stereo_Count	0
638552	Undefined_Atom_Stereo_Count	0
82746	TPSA	75.8
82728	Defined_Bond_Stereo_Count	0
15793001	XLogP3-AA	0.2
44558536	Defined_Bond_Stereo_Count	0
774262	Undefined_Bond_Stereo_Count	0
457	Isotope_Atom_Count	0
19930642	Non-hydrogen_Atom_Count	7
65356	Structure_Complexity	423
20542	Exact_Mass	332.225248902
447379	Covalent_Unit_Count	1
46861612	TPSA	54
54572303	Rotatable_Bond_Count	2
27567	Total_Formal_Charge	0
6321422	Hydrogen_Bond_Donor_Count	0
45934213	Hydrogen_Bond_Acceptor_Count	16
12365604	Hydrogen_Bond_Acceptor_Count	4
4141783	Undefined_Bond_Stereo_Count	0
118994155	Structure_Complexity	147
9298	Non-hydrogen_Atom_Count	16
644021	Undefined_Atom_Stereo_Count	0
69912	Isotope_Atom_Count	0
9958995	Structure_Complexity	1310
13600041	Non-hydrogen_Atom_Count	7
69819	Covalent_Unit_Count	1
8633	Tautomer_Count	4
23622962	Exact_Mass	874.54474508
16842	TPSA	37.4
82322	Molecular_Weight	117.15
53426727	Covalent_Unit_Count	1
57744	Rotatable_Bond_Count	12
13443454	TPSA	20.2
139758	Exact_Mass	164.156500638
634493	TPSA	0
20483609	Rotatable_Bond_Count	1
198068	Hydrogen_Bond_Donor_Count	0
54024247	Hydrogen_Bond_Acceptor_Count	2
20774105	Undefined_Atom_Stereo_Count	0
6716	Structure_Complexity	362
629365	Mono_Isotopic_Weight	319.9941749
3000506	Isotope_Atom_Count	0
5801	Hydrogen_Bond_Acceptor_Count	2
709430	Mono_Isotopic_Weight	267.09291458
59750537	XLogP3-AA	1
44246477	Structure_Complexity	382
117717938	Defined_Bond_Stereo_Count	0
4637	Hydrogen_Bond_Donor_Count	2
10238982	Rotatable_Bond_Count	10
67707714	Mono_Isotopic_Weight	114.068079557
2781177	Defined_Atom_Stereo_Count	0
13459667	Undefined_Atom_Stereo_Count	1
54265485	XLogP3-AA	0.8
133640194	Non-hydrogen_Atom_Count	17
10704	TPSA	43.1
6433115	Covalent_Unit_Count	1
545422	Rotatable_Bond_Count	5
9802865	XLogP3	1.9
1374121	Molecular_Weight	463.6
208923	Covalent_Unit_Count	1
64738	Rotatable_Bond_Count	4
123286573	XLogP3-AA	0.1
291529	Non-hydrogen_Atom_Count	17
12435	Defined_Atom_Stereo_Count	0
67542	Hydrogen_Bond_Acceptor_Count	13
13420638	Hydrogen_Bond_Donor_Count	0
9086	Mono_Isotopic_Weight	75.068413911
53734710	Molecular_Weight	61.06
24401	Covalent_Unit_Count	1
16685	Tautomer_Count	1
15208263	Structure_Complexity	155
32069	Tautomer_Count	1
14012376	Mono_Isotopic_Weight	306.14806121
83193	TPSA	30.4
136305612	Mono_Isotopic_Weight	110.059246208
155903168	Hydrogen_Bond_Acceptor_Count	14
5282241	Undefined_Bond_Stereo_Count	0
20807398	Rotatable_Bond_Count	20
79025	Molecular_Weight	180.16
20764676	Structure_Complexity	116
20746480	Isotope_Atom_Count	0
121877	Undefined_Atom_Stereo_Count	0
3792	TPSA	60
445678	Molecular_Weight	148.20
123462540	Hydrogen_Bond_Donor_Count	2
45046073	Isotope_Atom_Count	0
6937	Undefined_Bond_Stereo_Count	0
9825084	Exact_Mass	452.10176275
98442	Non-hydrogen_Atom_Count	17
18358	Defined_Bond_Stereo_Count	0
19016	Non-hydrogen_Atom_Count	10
12200169	TPSA	32.7
23668194	Non-hydrogen_Atom_Count	30
190818	Molecular_Weight	496.4
26923	Undefined_Bond_Stereo_Count	0
10862733	Hydrogen_Bond_Acceptor_Count	0
16760153	Hydrogen_Bond_Donor_Count	0
21709689	TPSA	0
13134933	Molecular_Weight	355.32
44630251	Defined_Bond_Stereo_Count	0
100927764	Hydrogen_Bond_Acceptor_Count	4
102426204	Rotatable_Bond_Count	6
80971	Exact_Mass	173.047678466
185495	Hydrogen_Bond_Donor_Count	0
133017	Isotope_Atom_Count	0
54610537	Hydrogen_Bond_Acceptor_Count	4
3033928	Defined_Atom_Stereo_Count	9
7296	Defined_Bond_Stereo_Count	0
73584	Defined_Atom_Stereo_Count	1
656321	Hydrogen_Bond_Donor_Count	1
139600236	Rotatable_Bond_Count	2
63853	Hydrogen_Bond_Donor_Count	0
2825062	Non-hydrogen_Atom_Count	41
5287468	Defined_Bond_Stereo_Count	0
2167	Isotope_Atom_Count	0
16402	Hydrogen_Bond_Donor_Count	2
134919	Covalent_Unit_Count	1
21702	Non-hydrogen_Atom_Count	10
101742	Mono_Isotopic_Weight	387.1713548
140233814	Defined_Atom_Stereo_Count	0
5328017	Exact_Mass	222.090546336
13979010	Hydrogen_Bond_Donor_Count	1
98442	Hydrogen_Bond_Donor_Count	0
44336199	Covalent_Unit_Count	1
73946427	Isotope_Atom_Count	0
12585	XLogP3-AA	2.1
39622	Covalent_Unit_Count	1
89578867	Defined_Atom_Stereo_Count	2
94462	Molecular_Weight	257.83
53921527	Defined_Bond_Stereo_Count	0
9804219	Structure_Complexity	672
17253	Undefined_Bond_Stereo_Count	0
53784322	TPSA	20.2
11876263	Hydrogen_Bond_Acceptor_Count	4
1476679	Molecular_Weight	333.4
2124	Undefined_Bond_Stereo_Count	0
122188	Undefined_Bond_Stereo_Count	0
31811	TPSA	113
55434	Hydrogen_Bond_Acceptor_Count	4
444718	Isotope_Atom_Count	0
23376967	Hydrogen_Bond_Donor_Count	4
21932259	Structure_Complexity	467
3996620	Exact_Mass	231.07696722
124744579	Defined_Atom_Stereo_Count	19
17954	Total_Formal_Charge	0
9810773	Covalent_Unit_Count	2
97886	Non-hydrogen_Atom_Count	18
10331	XLogP3	2.4
69370	Hydrogen_Bond_Donor_Count	2
3889	Hydrogen_Bond_Donor_Count	4
71776101	Structure_Complexity	270
4243	Undefined_Atom_Stereo_Count	17
70967	Exact_Mass	146.084398327
93057	Rotatable_Bond_Count	1
123875607	XLogP3-AA	0.1
164675904	TPSA	37.4
21864560	Molecular_Weight	1213.4
71356656	Hydrogen_Bond_Donor_Count	0
92374	Structure_Complexity	189
21497	Exact_Mass	157.04221642
119195	Hydrogen_Bond_Donor_Count	1
129693502	Hydrogen_Bond_Donor_Count	8
15606	Undefined_Bond_Stereo_Count	0
517957	Undefined_Bond_Stereo_Count	0
9469	Hydrogen_Bond_Acceptor_Count	3
78576	Undefined_Bond_Stereo_Count	0
44309990	Exact_Mass	369.1374678
70297	Total_Formal_Charge	0
154417	Non-hydrogen_Atom_Count	21
6433198	Rotatable_Bond_Count	16
13587089	Hydrogen_Bond_Donor_Count	1
2734171	Rotatable_Bond_Count	3
44946	Hydrogen_Bond_Acceptor_Count	2
398652	Defined_Atom_Stereo_Count	0
159968	Defined_Bond_Stereo_Count	0
34515	Non-hydrogen_Atom_Count	24
123166	Hydrogen_Bond_Acceptor_Count	0
836041	Isotope_Atom_Count	0
12309521	Rotatable_Bond_Count	4
24848261	Hydrogen_Bond_Acceptor_Count	4
5237030	Defined_Atom_Stereo_Count	0
55285488	Isotope_Atom_Count	0
57750798	Mono_Isotopic_Weight	112.088815002
81150	Structure_Complexity	415
11293303	Structure_Complexity	607
7566944	Exact_Mass	342.11621151
72495	XLogP3-AA	4.3
5486209	Exact_Mass	197.095297364
16134409	Structure_Complexity	4220
11538502	TPSA	115
84621	Covalent_Unit_Count	1
23714994	Defined_Bond_Stereo_Count	1
16003	Defined_Atom_Stereo_Count	0
496666	Undefined_Atom_Stereo_Count	1
89138978	Molecular_Weight	102.14
705715	Undefined_Bond_Stereo_Count	0
25027363	Mono_Isotopic_Weight	504.33856457
99411	Total_Formal_Charge	0
443866	Covalent_Unit_Count	2
68009306	Defined_Bond_Stereo_Count	0
10900	Defined_Bond_Stereo_Count	0
93128	Defined_Atom_Stereo_Count	0
5328760	Rotatable_Bond_Count	3
448223	Covalent_Unit_Count	1
68873	Defined_Bond_Stereo_Count	0
987917	Defined_Atom_Stereo_Count	0
23662264	Mono_Isotopic_Weight	217.906892
153000	Molecular_Weight	99.09
268473	Isotope_Atom_Count	0
73949	Hydrogen_Bond_Donor_Count	1
94154	Defined_Atom_Stereo_Count	2
31762	Total_Formal_Charge	0
11078	TPSA	64.8
69204	Non-hydrogen_Atom_Count	8
25141092	Structure_Complexity	847
232443	Structure_Complexity	355
131842090	Covalent_Unit_Count	4
2467	Defined_Bond_Stereo_Count	0
87906	Undefined_Atom_Stereo_Count	0
59296041	Undefined_Atom_Stereo_Count	0
7771	Total_Formal_Charge	0
153305234	Undefined_Atom_Stereo_Count	4
15982533	Exact_Mass	451.22195442
122553	Structure_Complexity	372
44563177	Hydrogen_Bond_Acceptor_Count	7
350	Non-hydrogen_Atom_Count	21
95455	Covalent_Unit_Count	1
87187677	Undefined_Atom_Stereo_Count	1
984396	Hydrogen_Bond_Donor_Count	2
5003059	Defined_Bond_Stereo_Count	0
74944	Total_Formal_Charge	0
53405	TPSA	74.4
9939627	Rotatable_Bond_Count	21
25244520	Exact_Mass	166.97454984
706992	Isotope_Atom_Count	0
20095	Rotatable_Bond_Count	2
9882837	Undefined_Bond_Stereo_Count	0
43834223	Hydrogen_Bond_Donor_Count	2
99868	Hydrogen_Bond_Acceptor_Count	1
5311123	Defined_Bond_Stereo_Count	0
60336	Non-hydrogen_Atom_Count	20
72048	Tautomer_Count	1
73114967	Exact_Mass	114.068079557
44146693	Hydrogen_Bond_Acceptor_Count	6
666418	XLogP3-AA	1.5
93536	XLogP3-AA	4.4
45076013	Mono_Isotopic_Weight	116.04081944
21715587	Exact_Mass	110.048012819
22459174	Mono_Isotopic_Weight	113.03375974
78638	Hydrogen_Bond_Donor_Count	0
9579	Non-hydrogen_Atom_Count	12
23670359	Structure_Complexity	377
53885557	Mono_Isotopic_Weight	115.063328530
123610	Structure_Complexity	1520
9912474	Total_Formal_Charge	0
139355316	Exact_Mass	342.11621151
54193461	Exact_Mass	85.052763847
5284363	Isotope_Atom_Count	0
75836	Mono_Isotopic_Weight	214.193280068
444234	Defined_Bond_Stereo_Count	0
76579279	TPSA	40.5
240119	Total_Formal_Charge	0
71533242	Total_Formal_Charge	0
44571102	Rotatable_Bond_Count	4
138733	Hydrogen_Bond_Acceptor_Count	1
11289630	TPSA	138
146156670	Hydrogen_Bond_Acceptor_Count	8
65770	XLogP3	3.4
57461895	Hydrogen_Bond_Donor_Count	2
208954	TPSA	78.3
61634	Undefined_Bond_Stereo_Count	0
13329881	Exact_Mass	103.063328530
6918149	Structure_Complexity	543
74889149	Mono_Isotopic_Weight	113.084063974
41020	Total_Formal_Charge	0
17891	Structure_Complexity	225
9803119	Structure_Complexity	652
9832383	Structure_Complexity	679
129491	Covalent_Unit_Count	1
24536	Isotope_Atom_Count	0
19588	Molecular_Weight	207.27
56629862	Hydrogen_Bond_Acceptor_Count	2
95228	Structure_Complexity	225
11018839	Rotatable_Bond_Count	1
2775003	Molecular_Weight	115.13
9570093	Rotatable_Bond_Count	4
13413802	Defined_Bond_Stereo_Count	0
21322859	Undefined_Atom_Stereo_Count	0
19375416	Mono_Isotopic_Weight	110.073164938
23681217	Exact_Mass	206.06673650
105104	Covalent_Unit_Count	1
67171867	Hydrogen_Bond_Donor_Count	3
53643899	Defined_Bond_Stereo_Count	0
122639	Structure_Complexity	1610
44126083	XLogP3-AA	3.2
520301	Rotatable_Bond_Count	1
13867380	Exact_Mass	113.00884817
7557	Exact_Mass	146.073164938
135761165	Molecular_Weight	439.4
55288485	Total_Formal_Charge	0
723025	Exact_Mass	282.14806121
142107	Hydrogen_Bond_Acceptor_Count	1
3033690	Undefined_Atom_Stereo_Count	0
26361	Total_Formal_Charge	0
89683805	Molecular_Weight	473.4
49864506	Undefined_Bond_Stereo_Count	0
135596593	Undefined_Bond_Stereo_Count	0
411817	Exact_Mass	282.1498911
9953590	TPSA	82.2
152951	Hydrogen_Bond_Donor_Count	5
5310957	Total_Formal_Charge	0
369373	Structure_Complexity	301
56846509	Non-hydrogen_Atom_Count	14
6857538	Tautomer_Count	1
7282	TPSA	0
63720	Defined_Bond_Stereo_Count	0
57750418	Defined_Bond_Stereo_Count	0
65614	Tautomer_Count	4
135556680	Structure_Complexity	119
75530316	Rotatable_Bond_Count	5
579338	Molecular_Weight	123.15
439201	Exact_Mass	1059.56139820
13005	Structure_Complexity	122
24868273	Rotatable_Bond_Count	5
76459	XLogP3	4.2
25101755	Defined_Atom_Stereo_Count	0
5281771	Covalent_Unit_Count	1
77011628	Hydrogen_Bond_Acceptor_Count	3
453326	Defined_Atom_Stereo_Count	0
26193	Defined_Atom_Stereo_Count	0
161764	Non-hydrogen_Atom_Count	29
73267	Defined_Bond_Stereo_Count	0
136060	Hydrogen_Bond_Acceptor_Count	0
8978	Undefined_Atom_Stereo_Count	0
72158	Undefined_Atom_Stereo_Count	1
21466942	Hydrogen_Bond_Donor_Count	3
242493	Isotope_Atom_Count	0
12266719	Undefined_Bond_Stereo_Count	0
73415770	Defined_Bond_Stereo_Count	0
257501	Isotope_Atom_Count	0
3766	Defined_Bond_Stereo_Count	0
10737	Exact_Mass	225.115364102
91902981	Mono_Isotopic_Weight	665.30474055
54575456	Covalent_Unit_Count	1
59072033	Undefined_Atom_Stereo_Count	1
71600	Structure_Complexity	79.1
15670683	Undefined_Bond_Stereo_Count	0
5297	Molecular_Weight	581.6
97868	Hydrogen_Bond_Donor_Count	2
5281650	TPSA	96.2
18687754	Exact_Mass	348.00794255
1079	Rotatable_Bond_Count	7
54144657	Defined_Bond_Stereo_Count	0
129671761	Undefined_Atom_Stereo_Count	2
130802	Total_Formal_Charge	0
24180972	Isotope_Atom_Count	0
70433668	Exact_Mass	114.068079557
19241	Undefined_Atom_Stereo_Count	0
3597	Total_Formal_Charge	0
44457029	Isotope_Atom_Count	0
44468216	Total_Formal_Charge	0
57526	Isotope_Atom_Count	0
3173542	Hydrogen_Bond_Donor_Count	0
1549098	Covalent_Unit_Count	1
60960	Hydrogen_Bond_Acceptor_Count	4
447234	Hydrogen_Bond_Acceptor_Count	4
790	Covalent_Unit_Count	1
289807	Undefined_Bond_Stereo_Count	0
12551755	Covalent_Unit_Count	1
32414	Structure_Complexity	253
135398508	Isotope_Atom_Count	0
226057	Mono_Isotopic_Weight	269.120449483
80085	Defined_Atom_Stereo_Count	0
5374527	Hydrogen_Bond_Acceptor_Count	1
66646	Rotatable_Bond_Count	1
88027139	Defined_Atom_Stereo_Count	0
33191	Exact_Mass	176.120115130
2893	Molecular_Weight	276.4
6451148	Isotope_Atom_Count	0
21417244	Undefined_Bond_Stereo_Count	0
5798	Molecular_Weight	118.14
8986	Molecular_Weight	329.81
5742832	Covalent_Unit_Count	1
2772	Rotatable_Bond_Count	10
97982	Undefined_Bond_Stereo_Count	0
10434	Undefined_Atom_Stereo_Count	0
76973723	Mono_Isotopic_Weight	1213.91668897
4914	Hydrogen_Bond_Acceptor_Count	4
135753908	Total_Formal_Charge	0
80376	Covalent_Unit_Count	1
11957590	Hydrogen_Bond_Donor_Count	3
114612	Undefined_Atom_Stereo_Count	0
135464373	Hydrogen_Bond_Acceptor_Count	5
165993043	Isotope_Atom_Count	0
160765	Molecular_Weight	120.17
68647	Exact_Mass	329.1294900
11062545	Exact_Mass	113.058911855
2021	Mono_Isotopic_Weight	332.15835111
16911	Covalent_Unit_Count	1
5086465	Molecular_Weight	91.11
31281	Undefined_Bond_Stereo_Count	0
135408964	Hydrogen_Bond_Donor_Count	1
129009603	Undefined_Bond_Stereo_Count	0
59868328	XLogP3-AA	3.3
14839575	Undefined_Atom_Stereo_Count	2
130354549	Mono_Isotopic_Weight	100.063662883
10047141	Isotope_Atom_Count	0
5462814	Non-hydrogen_Atom_Count	8
139087380	XLogP3-AA	6.8
14026391	Hydrogen_Bond_Donor_Count	0
3014017	TPSA	37.3
124443	Undefined_Atom_Stereo_Count	2
87962	Non-hydrogen_Atom_Count	15
119921	Isotope_Atom_Count	0
123678537	Hydrogen_Bond_Donor_Count	0
68396089	Non-hydrogen_Atom_Count	8
5285554	Covalent_Unit_Count	1
520381	Exact_Mass	206.203450829
81509	Isotope_Atom_Count	0
556836	Hydrogen_Bond_Acceptor_Count	1
54046888	Rotatable_Bond_Count	3
119119	Molecular_Weight	451.16
137347969	Hydrogen_Bond_Donor_Count	1
84531	Tautomer_Count	1
5282549	Total_Formal_Charge	0
3775	Mono_Isotopic_Weight	353.259288680
16600	Total_Formal_Charge	0
15504	XLogP3-AA	4
42254	Isotope_Atom_Count	0
572516	Mono_Isotopic_Weight	108.068748264
54583932	Defined_Atom_Stereo_Count	1
75091	Defined_Bond_Stereo_Count	0
5366244	Hydrogen_Bond_Donor_Count	1
21935081	Undefined_Bond_Stereo_Count	0
72200930	TPSA	83.8
21824034	TPSA	64.7
5241	Defined_Bond_Stereo_Count	0
6437801	Hydrogen_Bond_Donor_Count	0
562683	Undefined_Atom_Stereo_Count	0
11903	Defined_Bond_Stereo_Count	0
123630	Molecular_Weight	300.29
13422580	Mono_Isotopic_Weight	940.42049858
2815	Molecular_Weight	294.50
20234581	Structure_Complexity	51.9
137090	Defined_Bond_Stereo_Count	0
2128	Isotope_Atom_Count	0
22464	Hydrogen_Bond_Acceptor_Count	2
8920	Defined_Atom_Stereo_Count	0
17405	TPSA	142
642325	XLogP3-AA	1.4
20933	Isotope_Atom_Count	0
643327	Total_Formal_Charge	0
72402	Molecular_Weight	363.4
91041862	XLogP3-AA	3.4
2293	Isotope_Atom_Count	0
12607584	Hydrogen_Bond_Acceptor_Count	2
522448	Exact_Mass	100.088815002
5034	Exact_Mass	520.79460
19791624	XLogP3-AA	0.7
73425380	Total_Formal_Charge	0
12768403	Undefined_Bond_Stereo_Count	0
16657	Molecular_Weight	98.19
13590	Non-hydrogen_Atom_Count	7
99295	Tautomer_Count	1
65874	Hydrogen_Bond_Acceptor_Count	7
6405709	Total_Formal_Charge	0
65015	Undefined_Bond_Stereo_Count	0
44319	Mono_Isotopic_Weight	257.120449483
148139	Defined_Atom_Stereo_Count	0
5702068	Undefined_Atom_Stereo_Count	3
23670774	Molecular_Weight	415.5
63033	Molecular_Weight	499.0
78377	Total_Formal_Charge	0
51029603	Total_Formal_Charge	0
10396821	Exact_Mass	116.047344113
3683036	Undefined_Bond_Stereo_Count	0
8433	Mono_Isotopic_Weight	224.083729621
67656913	TPSA	20.2
11210	XLogP3-AA	2.7
88559809	XLogP3-AA	1.4
91468768	Undefined_Atom_Stereo_Count	5
61141	Undefined_Atom_Stereo_Count	0
2723719	Non-hydrogen_Atom_Count	47
134601	TPSA	119
36750	Mono_Isotopic_Weight	341.19909372
32091	Structure_Complexity	537
67517	Rotatable_Bond_Count	0
57228932	XLogP3-AA	1.4
58471	Hydrogen_Bond_Acceptor_Count	4
59116084	Rotatable_Bond_Count	1
57396865	XLogP3-AA	3.5
25074887	Tautomer_Count	996
141828087	Covalent_Unit_Count	1
60184	Molecular_Weight	368.5
149798	Total_Formal_Charge	0
21917899	Undefined_Atom_Stereo_Count	0
14039	Exact_Mass	74.048012819
10662	Defined_Atom_Stereo_Count	0
16667736	Tautomer_Count	14
21685	Undefined_Atom_Stereo_Count	2
24096961	Structure_Complexity	457
85743571	Structure_Complexity	101
65188	Defined_Atom_Stereo_Count	0
10160238	Total_Formal_Charge	0
8496	Rotatable_Bond_Count	2
22138513	Mono_Isotopic_Weight	102.068079557
135398645	Isotope_Atom_Count	0
13063590	Isotope_Atom_Count	0
135444614	XLogP3-AA	4.3
91026652	Isotope_Atom_Count	0
6922967	XLogP3	0.9
441467	Hydrogen_Bond_Acceptor_Count	7
1930	Total_Formal_Charge	0
10011877	Undefined_Bond_Stereo_Count	0
3047803	Isotope_Atom_Count	0
71359012	Total_Formal_Charge	0
6505803	XLogP3-AA	2.6
27400	Non-hydrogen_Atom_Count	21
4517	XLogP3-AA	0.2
95292	Rotatable_Bond_Count	1
44276024	TPSA	55.3
137673	Rotatable_Bond_Count	4
17531	Exact_Mass	345.03707073
15965	Covalent_Unit_Count	1
46224572	Structure_Complexity	482
4004	Defined_Atom_Stereo_Count	0
12285892	Non-hydrogen_Atom_Count	12
10006	Defined_Bond_Stereo_Count	0
11957590	Rotatable_Bond_Count	6
71234	Mono_Isotopic_Weight	284.12732577
25167777	Non-hydrogen_Atom_Count	36
78202	Rotatable_Bond_Count	14
289807	Structure_Complexity	366
5262	Hydrogen_Bond_Donor_Count	4
23003869	Mono_Isotopic_Weight	112.088815002
9967941	Mono_Isotopic_Weight	343.17969569
69952	XLogP3-AA	1.5
84598	Rotatable_Bond_Count	0
86856	Molecular_Weight	116.16
37015	Covalent_Unit_Count	1
9871419	Exact_Mass	522.18608089
66764350	Mono_Isotopic_Weight	164.03859095
22123474	Defined_Atom_Stereo_Count	0
14265921	Defined_Bond_Stereo_Count	0
12448	Exact_Mass	301.157897619
118459248	Mono_Isotopic_Weight	342.11621151
147246033	TPSA	9.2
4278	Non-hydrogen_Atom_Count	12
49007	Undefined_Bond_Stereo_Count	0
53773588	Undefined_Bond_Stereo_Count	1
67543	Undefined_Atom_Stereo_Count	0
54677674	XLogP3-AA	3.5
33294	Undefined_Atom_Stereo_Count	0
53606	Undefined_Atom_Stereo_Count	1
22323244	Defined_Bond_Stereo_Count	0
25749227	TPSA	77.7
122121	Undefined_Bond_Stereo_Count	0
81466	Total_Formal_Charge	0
97032	XLogP3	5.4
123904644	Molecular_Weight	108.18
105010	TPSA	58.6
13740443	Exact_Mass	83.037113783
518966	Undefined_Atom_Stereo_Count	0
8281	Non-hydrogen_Atom_Count	17
2971	Molecular_Weight	322.4
10668	TPSA	59.7
135554441	Total_Formal_Charge	0
10687	Defined_Atom_Stereo_Count	0
65332	Defined_Bond_Stereo_Count	0
21709689	Molecular_Weight	304.12
44408	Structure_Complexity	346
135398561	Tautomer_Count	126
54758035	Hydrogen_Bond_Donor_Count	1
53475321	Hydrogen_Bond_Acceptor_Count	5
115266	TPSA	37.3
101333850	Non-hydrogen_Atom_Count	10
138611145	Non-hydrogen_Atom_Count	43
10972	Undefined_Bond_Stereo_Count	0
19892314	Exact_Mass	363.19804835
5902	Defined_Bond_Stereo_Count	0
16051935	Hydrogen_Bond_Acceptor_Count	12
445032	Rotatable_Bond_Count	5
3844264	TPSA	126
12594	Covalent_Unit_Count	1
13082553	Defined_Atom_Stereo_Count	0
5362712	Total_Formal_Charge	0
77720	Covalent_Unit_Count	1
95961	Structure_Complexity	220
5288991	Defined_Atom_Stereo_Count	4
274080	Hydrogen_Bond_Donor_Count	4
10464328	Structure_Complexity	137
124921376	Hydrogen_Bond_Acceptor_Count	14
1549098	Molecular_Weight	153.16
216237	Defined_Bond_Stereo_Count	0
54477013	Structure_Complexity	753
9811493	Hydrogen_Bond_Donor_Count	5
118210311	Non-hydrogen_Atom_Count	8
139833631	Undefined_Bond_Stereo_Count	0
20793238	Rotatable_Bond_Count	1
53970191	Defined_Atom_Stereo_Count	0
53759081	Defined_Atom_Stereo_Count	0
61574	Rotatable_Bond_Count	16
79919	Molecular_Weight	368.6
11676981	Molecular_Weight	461.4
92403	Covalent_Unit_Count	1
13068890	Hydrogen_Bond_Acceptor_Count	1
3392731	Hydrogen_Bond_Donor_Count	2
12871376	XLogP3-AA	0.9
21824035	Rotatable_Bond_Count	0
20996	Exact_Mass	246.2114287
12576587	Covalent_Unit_Count	1
91845299	Non-hydrogen_Atom_Count	23
9877746	Covalent_Unit_Count	1
21997268	Isotope_Atom_Count	0
8449	Exact_Mass	161.9639201
3229	TPSA	85.8
104778	Defined_Atom_Stereo_Count	2
11951725	TPSA	108
821629	Tautomer_Count	1
54936	Mono_Isotopic_Weight	269.940598
56672413	Covalent_Unit_Count	1
71360804	Structure_Complexity	272
9806615	Undefined_Bond_Stereo_Count	0
22990584	XLogP3-AA	1.6
36781	TPSA	21.3
59059041	Non-hydrogen_Atom_Count	8
5492688	Rotatable_Bond_Count	6
129652979	Exact_Mass	98.036779430
23695982	Hydrogen_Bond_Donor_Count	1
16218600	Hydrogen_Bond_Acceptor_Count	6
23262349	Hydrogen_Bond_Acceptor_Count	1
10080341	Rotatable_Bond_Count	0
53446942	Covalent_Unit_Count	1
444683	Mono_Isotopic_Weight	74.073164938
298082	Undefined_Atom_Stereo_Count	3
60196274	Molecular_Weight	344.8
102248370	Undefined_Bond_Stereo_Count	0
123870	Defined_Atom_Stereo_Count	0
90943273	Exact_Mass	110.036779430
9906	Rotatable_Bond_Count	0
5282416	Structure_Complexity	507
126480242	Undefined_Atom_Stereo_Count	0
21602045	Hydrogen_Bond_Donor_Count	2
80566	Exact_Mass	184.9799046
11420409	TPSA	103
77967	Molecular_Weight	256.23
132939819	Mono_Isotopic_Weight	181.06674293
123359989	Defined_Atom_Stereo_Count	0
57394210	Rotatable_Bond_Count	8
446066	Rotatable_Bond_Count	36
9873570	Molecular_Weight	323.5
138752609	Total_Formal_Charge	0
638552	Isotope_Atom_Count	0
172469	Hydrogen_Bond_Acceptor_Count	18
25548	Hydrogen_Bond_Acceptor_Count	14
153648135	Undefined_Atom_Stereo_Count	1
210320	Structure_Complexity	448
10928	Non-hydrogen_Atom_Count	6
5352449	Total_Formal_Charge	0
67513158	TPSA	26.3
6438149	Mono_Isotopic_Weight	368.21988874
11704101	Mono_Isotopic_Weight	403.16443955
8205	Undefined_Bond_Stereo_Count	0
126479882	Hydrogen_Bond_Donor_Count	9
77991437	Defined_Atom_Stereo_Count	0
4946	Defined_Bond_Stereo_Count	0
16272	Isotope_Atom_Count	0
12642	Non-hydrogen_Atom_Count	6
6540277	Defined_Atom_Stereo_Count	0
123093	Defined_Bond_Stereo_Count	0
20082	Exact_Mass	112.125200510
31982	XLogP3-AA	2
9548595	Mono_Isotopic_Weight	426.386166214
4518	Total_Formal_Charge	0
88191	Undefined_Bond_Stereo_Count	0
12449	Isotope_Atom_Count	0
14083582	Exact_Mass	114.068079557
97234	TPSA	74.5
69347707	Defined_Atom_Stereo_Count	0
59908032	XLogP3-AA	2.6
24268	TPSA	62.9
146157955	Rotatable_Bond_Count	8
6918939	Defined_Bond_Stereo_Count	0
10548	XLogP3	1
62705861	Total_Formal_Charge	0
24848321	Molecular_Weight	289.4
79865794	Rotatable_Bond_Count	0
54502555	Undefined_Bond_Stereo_Count	0
8055	Non-hydrogen_Atom_Count	8
5459220	Total_Formal_Charge	0
49855886	XLogP3-AA	2.3
21428	XLogP3	2.1
23121765	Hydrogen_Bond_Acceptor_Count	1
13582607	Defined_Atom_Stereo_Count	0
12164	Defined_Bond_Stereo_Count	0
31528	Defined_Atom_Stereo_Count	0
5282165	Isotope_Atom_Count	0
135409347	Hydrogen_Bond_Acceptor_Count	6
69110	Hydrogen_Bond_Donor_Count	0
5731	Molecular_Weight	287.36
123257569	Non-hydrogen_Atom_Count	8
6102731	Rotatable_Bond_Count	10
166450050	Defined_Atom_Stereo_Count	0
131721310	Undefined_Atom_Stereo_Count	0
5284486	Mono_Isotopic_Weight	284.214015512
657055	Exact_Mass	180.06338810
5748733	Undefined_Bond_Stereo_Count	0
798232	Total_Formal_Charge	0
10130337	Hydrogen_Bond_Acceptor_Count	3
3058839	Molecular_Weight	262.34
444006	Isotope_Atom_Count	0
15276695	Mono_Isotopic_Weight	99.068413911
13487610	Undefined_Bond_Stereo_Count	0
926580	Exact_Mass	279.05000439
92381	Tautomer_Count	1
37460	Defined_Atom_Stereo_Count	3
41867	Mono_Isotopic_Weight	543.17406074
71358911	Non-hydrogen_Atom_Count	8
12431565	Hydrogen_Bond_Donor_Count	1
44630251	Total_Formal_Charge	0
10307849	XLogP3-AA	0.8
158371	Structure_Complexity	1860
5459211	Total_Formal_Charge	0
54025583	TPSA	33
42602351	Undefined_Bond_Stereo_Count	0
3817	Structure_Complexity	940
12358803	Rotatable_Bond_Count	10
30292	TPSA	30.7
74086836	Hydrogen_Bond_Acceptor_Count	4
12928049	Undefined_Bond_Stereo_Count	0
10070040	XLogP3	4.2
44571915	Mono_Isotopic_Weight	433.0804889
92421	Rotatable_Bond_Count	4
101171	Molecular_Weight	114.14
20514191	Rotatable_Bond_Count	0
52940549	Undefined_Atom_Stereo_Count	0
14440697	Mono_Isotopic_Weight	364.10592162
30541	Defined_Bond_Stereo_Count	0
139449	Hydrogen_Bond_Donor_Count	0
68591	Undefined_Atom_Stereo_Count	0
409384	Rotatable_Bond_Count	2
520445	Molecular_Weight	118.13
15294	Mono_Isotopic_Weight	164.047344113
527633	XLogP3	1
117601215	Hydrogen_Bond_Acceptor_Count	4
62823	Undefined_Atom_Stereo_Count	1
91133104	Structure_Complexity	72.2
667495	XLogP3-AA	2.4
32	Undefined_Bond_Stereo_Count	1
59281403	Mono_Isotopic_Weight	417.13002593
70995	Undefined_Bond_Stereo_Count	0
9855455	Mono_Isotopic_Weight	101.047678466
20531563	Exact_Mass	85.063997236
135440068	Molecular_Weight	267.24
75633	Rotatable_Bond_Count	2
4992	Hydrogen_Bond_Donor_Count	0
2733984	Structure_Complexity	82.6
526950	Defined_Atom_Stereo_Count	0
44590447	Covalent_Unit_Count	1
91386640	Non-hydrogen_Atom_Count	7
689	Hydrogen_Bond_Acceptor_Count	14
159169	Rotatable_Bond_Count	0
19077486	Defined_Bond_Stereo_Count	0
61996	Tautomer_Count	1
71718495	Hydrogen_Bond_Donor_Count	2
6427044	Structure_Complexity	2070
181976	Isotope_Atom_Count	0
124921374	TPSA	231
86209	Tautomer_Count	2
15950376	XLogP3-AA	3.8
11159486	Hydrogen_Bond_Acceptor_Count	3
26970	Undefined_Bond_Stereo_Count	0
45375806	Hydrogen_Bond_Acceptor_Count	11
57398256	Covalent_Unit_Count	1
5351197	TPSA	3.2
79297905	Undefined_Bond_Stereo_Count	0
46783063	Covalent_Unit_Count	2
7762	Rotatable_Bond_Count	4
31952	Non-hydrogen_Atom_Count	12
78557	Covalent_Unit_Count	1
58531	Total_Formal_Charge	0
54144952	Structure_Complexity	119
58883	Hydrogen_Bond_Acceptor_Count	4
2317	Hydrogen_Bond_Donor_Count	4
12594991	Non-hydrogen_Atom_Count	6
54224045	Undefined_Bond_Stereo_Count	0
130354549	Molecular_Weight	100.12
24848402	Defined_Bond_Stereo_Count	0
151707353	Undefined_Atom_Stereo_Count	2
19956670	Undefined_Atom_Stereo_Count	1
25203188	Rotatable_Bond_Count	6
129983893	Mono_Isotopic_Weight	110.048012819
4615	Molecular_Weight	426.6
4228493	Covalent_Unit_Count	1
315	Isotope_Atom_Count	0
71344821	Undefined_Atom_Stereo_Count	1
10076806	Mono_Isotopic_Weight	573.17228466
145971	Isotope_Atom_Count	0
33363	TPSA	21.6
58137137	Rotatable_Bond_Count	5
101561	Exact_Mass	120.04225873
41114	Exact_Mass	515.1823134
6232	Covalent_Unit_Count	1
103023	Structure_Complexity	128
11321106	TPSA	8.8
9985155	Undefined_Bond_Stereo_Count	0
14027412	Non-hydrogen_Atom_Count	8
53395363	Hydrogen_Bond_Donor_Count	2
5280451	Structure_Complexity	138
30131	XLogP3-AA	3.1
165558	Structure_Complexity	641
13299177	Hydrogen_Bond_Donor_Count	0
44123551	Hydrogen_Bond_Acceptor_Count	6
5289394	Rotatable_Bond_Count	11
11203	Undefined_Atom_Stereo_Count	0
50986266	Total_Formal_Charge	0
763185	Mono_Isotopic_Weight	254.178298710
569599	TPSA	79.5
13916	Defined_Bond_Stereo_Count	0
135449281	Molecular_Weight	268.23
23080859	Hydrogen_Bond_Acceptor_Count	2
582056	Undefined_Bond_Stereo_Count	0
79964	Defined_Bond_Stereo_Count	0
65272	Undefined_Atom_Stereo_Count	1
54311720	Rotatable_Bond_Count	1
101938021	Non-hydrogen_Atom_Count	18
6397	TPSA	0
46936966	Hydrogen_Bond_Donor_Count	8
6918076	Covalent_Unit_Count	1
67850	Exact_Mass	401.80256
58640	Undefined_Atom_Stereo_Count	1
16217	XLogP3	6.4
91657	Defined_Atom_Stereo_Count	0
71820	Tautomer_Count	1
12242919	Covalent_Unit_Count	1
14563	TPSA	45.8
22398442	Non-hydrogen_Atom_Count	8
11476460	Mono_Isotopic_Weight	450.08529741
57409556	Defined_Atom_Stereo_Count	3
10614	XLogP3-AA	5.3
9886249	Mono_Isotopic_Weight	382.13536548
88269064	Molecular_Weight	113.11
56835143	Hydrogen_Bond_Donor_Count	3
23205	Exact_Mass	262.12050905
54267	Non-hydrogen_Atom_Count	5
156422	Hydrogen_Bond_Donor_Count	2
2568387	Undefined_Bond_Stereo_Count	0
9984374	Covalent_Unit_Count	1
129027658	Defined_Bond_Stereo_Count	0
53903478	Defined_Bond_Stereo_Count	0
6429274	Undefined_Bond_Stereo_Count	0
637927	Rotatable_Bond_Count	2
10964453	TPSA	12.5
6066	Tautomer_Count	1
18728	TPSA	0
10772936	Undefined_Bond_Stereo_Count	0
134990043	Non-hydrogen_Atom_Count	7
74062	Rotatable_Bond_Count	0
2769	Structure_Complexity	581
136585	Exact_Mass	106.078250319
6918639	Molecular_Weight	542.33
3889	Mono_Isotopic_Weight	520.10124741
441242	Isotope_Atom_Count	0
1707	Structure_Complexity	794
156186164	Non-hydrogen_Atom_Count	8
9549180	TPSA	40.5
23668195	Isotope_Atom_Count	0
9217	Rotatable_Bond_Count	0
2798315	Undefined_Atom_Stereo_Count	0
12905096	Rotatable_Bond_Count	1
11137239	Covalent_Unit_Count	1
2816577	Undefined_Atom_Stereo_Count	0
61930	Structure_Complexity	105
10398490	Covalent_Unit_Count	1
11428	Rotatable_Bond_Count	2
66628308	Isotope_Atom_Count	0
5533	XLogP3-AA	2.8
137512	Covalent_Unit_Count	1
24848222	Molecular_Weight	367.5
7343	Defined_Bond_Stereo_Count	0
3853591	Mono_Isotopic_Weight	191.01917756
62330	Molecular_Weight	380.4
105426929	TPSA	12
124905	Defined_Bond_Stereo_Count	0
123799979	Total_Formal_Charge	0
100489	Covalent_Unit_Count	1
10006	Total_Formal_Charge	0
12597	Covalent_Unit_Count	1
23278861	Hydrogen_Bond_Acceptor_Count	14
148680795	Undefined_Bond_Stereo_Count	0
413742	Covalent_Unit_Count	1
67832	Mono_Isotopic_Weight	202.00287536
122415	Covalent_Unit_Count	1
55288479	Undefined_Atom_Stereo_Count	0
10986159	Defined_Atom_Stereo_Count	0
6161	Undefined_Atom_Stereo_Count	0
11319223	TPSA	121
111804	Undefined_Atom_Stereo_Count	0
67317342	XLogP3-AA	1.3
562176	TPSA	35.5
237	Covalent_Unit_Count	1
54352844	Covalent_Unit_Count	1
101606430	Non-hydrogen_Atom_Count	36
444614	Rotatable_Bond_Count	4
9827103	Hydrogen_Bond_Acceptor_Count	12
10614	Tautomer_Count	1
44531649	Isotope_Atom_Count	0
138358	Mono_Isotopic_Weight	98.109550447
12803	Molecular_Weight	164.25
135565635	Hydrogen_Bond_Acceptor_Count	5
1570	Isotope_Atom_Count	0
36274	Defined_Atom_Stereo_Count	0
2003	Mono_Isotopic_Weight	245.116426730
73182	Non-hydrogen_Atom_Count	11
7135	Defined_Atom_Stereo_Count	0
53694406	XLogP3-AA	2.8
15184917	Hydrogen_Bond_Acceptor_Count	1
7215	Exact_Mass	264.07886217
32737	Defined_Atom_Stereo_Count	0
74600475	Hydrogen_Bond_Donor_Count	3
13465027	Total_Formal_Charge	0
19604274	Molecular_Weight	192.17
431097	Undefined_Bond_Stereo_Count	0
17748	Total_Formal_Charge	0
88951	Covalent_Unit_Count	1
15071968	Exact_Mass	100.052429494
135410916	Hydrogen_Bond_Donor_Count	1
49865859	Non-hydrogen_Atom_Count	25
6435463	Hydrogen_Bond_Acceptor_Count	2
4866625	Exact_Mass	82.078250319
125286695	Undefined_Bond_Stereo_Count	0
71363036	Structure_Complexity	358
21391884	Covalent_Unit_Count	1
141363	Hydrogen_Bond_Donor_Count	0
119828	Hydrogen_Bond_Acceptor_Count	5
74615	Molecular_Weight	100.12
14265	XLogP3-AA	1
441233	Defined_Atom_Stereo_Count	1
12870232	TPSA	20.2
3048356	TPSA	23.5
445226	Hydrogen_Bond_Acceptor_Count	6
9588170	Defined_Atom_Stereo_Count	0
123516214	Molecular_Weight	102.13
10047003	Structure_Complexity	533
7257	Defined_Atom_Stereo_Count	0
21121497	XLogP3-AA	1.6
533	Molecular_Weight	80.99
11347535	Hydrogen_Bond_Donor_Count	2
3036703	Isotope_Atom_Count	0
158144361	Total_Formal_Charge	0
44409094	Structure_Complexity	519
89310012	Undefined_Bond_Stereo_Count	0
11167112	Rotatable_Bond_Count	7
26089	Hydrogen_Bond_Acceptor_Count	4
146474223	TPSA	27.7
146019527	Exact_Mass	691.061419
12200971	XLogP3-AA	0.3
66016	Exact_Mass	178.146998583
60857	Molecular_Weight	287.36
151205	Undefined_Bond_Stereo_Count	0
17617	Tautomer_Count	1
3000241	Defined_Bond_Stereo_Count	0
49288	Mono_Isotopic_Weight	258.10381361
230995	TPSA	26.3
72589	Isotope_Atom_Count	0
61948	Mono_Isotopic_Weight	263.88977
83596	Hydrogen_Bond_Acceptor_Count	3
292925	Exact_Mass	164.131348519
31842	Undefined_Bond_Stereo_Count	0
54435026	TPSA	29.5
3059	Undefined_Bond_Stereo_Count	0
60196333	Total_Formal_Charge	0
11667893	Undefined_Atom_Stereo_Count	0
527031	Hydrogen_Bond_Donor_Count	0
7309	Hydrogen_Bond_Donor_Count	1
6537213	Hydrogen_Bond_Donor_Count	2
20259182	Exact_Mass	108.093900383
6456015	TPSA	172
68401	Total_Formal_Charge	0
89663	Isotope_Atom_Count	0
108	Defined_Atom_Stereo_Count	0
2350	Mono_Isotopic_Weight	388.1553704
5283454	Mono_Isotopic_Weight	325.298079487
3680403	Undefined_Atom_Stereo_Count	0
11880	Rotatable_Bond_Count	1
16134490	Hydrogen_Bond_Acceptor_Count	16
7628	Exact_Mass	62.0175241
1479778	Undefined_Bond_Stereo_Count	0
9075	Tautomer_Count	1
30781	Total_Formal_Charge	0
2735085	Non-hydrogen_Atom_Count	6
70863	Exact_Mass	311.1652068
54270986	Molecular_Weight	340.3
5636	Defined_Bond_Stereo_Count	0
67519	Tautomer_Count	2
80511	Structure_Complexity	21.5
15482356	Undefined_Atom_Stereo_Count	1
6456015	Covalent_Unit_Count	2
10154	Structure_Complexity	461
22472382	Structure_Complexity	135
87962	Hydrogen_Bond_Donor_Count	1
4196	Undefined_Bond_Stereo_Count	0
3073200	Structure_Complexity	421
130026523	Molecular_Weight	110.15
667684	Structure_Complexity	247
96379	Isotope_Atom_Count	0
133612499	Exact_Mass	1033.54575866
5311027	Covalent_Unit_Count	1
9926054	Undefined_Atom_Stereo_Count	0
21843641	TPSA	12
5357258	Covalent_Unit_Count	1
74599	Non-hydrogen_Atom_Count	8
143289	Defined_Bond_Stereo_Count	0
13765439	Exact_Mass	163.03031432
105054	Exact_Mass	380.7134
60209624	Mono_Isotopic_Weight	313.15387487
75989941	Hydrogen_Bond_Acceptor_Count	1
3126	XLogP3-AA	5.8
12545025	Total_Formal_Charge	0
689013	Exact_Mass	236.083729621
6131	Hydrogen_Bond_Donor_Count	5
25171666	Undefined_Atom_Stereo_Count	0
93285	Isotope_Atom_Count	0
6424	Hydrogen_Bond_Acceptor_Count	1
10252	Defined_Bond_Stereo_Count	0
443130	TPSA	85.9
2193	Covalent_Unit_Count	1
5288615	Molecular_Weight	398.5
87815038	Covalent_Unit_Count	1
22320975	Undefined_Bond_Stereo_Count	0
67473	Hydrogen_Bond_Acceptor_Count	2
67248938	XLogP3-AA	3
24883466	Rotatable_Bond_Count	15
5287541	Tautomer_Count	1
3356829	Defined_Bond_Stereo_Count	0
11840951	Undefined_Atom_Stereo_Count	0
5489029	Structure_Complexity	854
18542136	Undefined_Atom_Stereo_Count	0
135409438	Tautomer_Count	9
441276	Undefined_Bond_Stereo_Count	0
9347	Hydrogen_Bond_Acceptor_Count	4
196445	Tautomer_Count	4
117899707	Structure_Complexity	74.6
8126	Hydrogen_Bond_Donor_Count	0
9305	Undefined_Bond_Stereo_Count	0
18156	Defined_Atom_Stereo_Count	0
413504	Defined_Bond_Stereo_Count	0
258618	Defined_Atom_Stereo_Count	0
36690486	Total_Formal_Charge	0
142559332	Exact_Mass	111.068413911
323	Hydrogen_Bond_Acceptor_Count	2
60527	Total_Formal_Charge	0
20524	XLogP3	0.3
6423	Rotatable_Bond_Count	0
69578	Molecular_Weight	94.03
54581	TPSA	106
688015	Non-hydrogen_Atom_Count	17
14309	Exact_Mass	341.010163
3387354	Molecular_Weight	393.4
375481	Isotope_Atom_Count	0
14012	Molecular_Weight	229.13
139291730	Undefined_Atom_Stereo_Count	0
6712744	Covalent_Unit_Count	1
2734678	Hydrogen_Bond_Acceptor_Count	5
23724509	Mono_Isotopic_Weight	1021.47316054
90479783	Hydrogen_Bond_Acceptor_Count	10
13462200	TPSA	20.2
33960	Rotatable_Bond_Count	4
22344	Rotatable_Bond_Count	0
11350	Total_Formal_Charge	0
54285331	Mono_Isotopic_Weight	96.057514874
14078847	Total_Formal_Charge	0
44349142	Undefined_Bond_Stereo_Count	0
115017	Exact_Mass	152.062600255
130002904	Hydrogen_Bond_Acceptor_Count	2
2560481	Total_Formal_Charge	0
57399142	Isotope_Atom_Count	0
87079616	Non-hydrogen_Atom_Count	8
11501341	Covalent_Unit_Count	1
38382	Tautomer_Count	1
13253	Undefined_Bond_Stereo_Count	0
7819	Hydrogen_Bond_Donor_Count	0
57470525	Total_Formal_Charge	0
19063438	Non-hydrogen_Atom_Count	8
77311	Mono_Isotopic_Weight	126.9955546
188219	Molecular_Weight	611.5
3554	Mono_Isotopic_Weight	783.29064583
10115	Undefined_Bond_Stereo_Count	0
21123938	Undefined_Bond_Stereo_Count	0
129860157	Total_Formal_Charge	0
11020241	Defined_Atom_Stereo_Count	2
60740	Hydrogen_Bond_Acceptor_Count	2
11977753	Mono_Isotopic_Weight	469.19026037
365661	Molecular_Weight	503.3
74210	XLogP3	3.7
135419182	Mono_Isotopic_Weight	538.01413629
9584	Covalent_Unit_Count	1
85500	Defined_Atom_Stereo_Count	0
33377	Structure_Complexity	76.2
5371531	Tautomer_Count	5
123346247	Mono_Isotopic_Weight	108.093900383
5283853	Non-hydrogen_Atom_Count	29
49862689	Defined_Bond_Stereo_Count	0
16134627	Hydrogen_Bond_Acceptor_Count	30
5702098	Hydrogen_Bond_Acceptor_Count	3
24978536	Defined_Atom_Stereo_Count	0
85983	Exact_Mass	218.05790880
86691500	TPSA	47.6
69985	Hydrogen_Bond_Acceptor_Count	3
24228	Exact_Mass	289.07389321
25975	Covalent_Unit_Count	1
20526803	Defined_Atom_Stereo_Count	0
68503813	Rotatable_Bond_Count	0
15004706	Undefined_Bond_Stereo_Count	0
11661757	Total_Formal_Charge	0
28145931	Structure_Complexity	437
102063093	Molecular_Weight	168.23
9862272	Exact_Mass	328.1142544
5362792	Molecular_Weight	142.24
3877	Hydrogen_Bond_Acceptor_Count	4
712377	Tautomer_Count	2
60155097	Exact_Mass	448.17804118
131839580	Mono_Isotopic_Weight	681.24869948
9218	Defined_Atom_Stereo_Count	0
17898580	Molecular_Weight	100.16
98181815	TPSA	57.2
232446	Mono_Isotopic_Weight	268.146329876
14794988	Defined_Bond_Stereo_Count	0
6918546	Hydrogen_Bond_Acceptor_Count	12
3081884	Defined_Atom_Stereo_Count	4
85942939	Defined_Atom_Stereo_Count	0
123835510	TPSA	49.7
52949803	Mono_Isotopic_Weight	388.11693871
114840	Exact_Mass	271.12084340
157820065	Molecular_Weight	284.35
4333	Undefined_Atom_Stereo_Count	2
95609	Undefined_Atom_Stereo_Count	1
9821941	Defined_Atom_Stereo_Count	0
14907580	Defined_Atom_Stereo_Count	0
60823	Total_Formal_Charge	0
44717198	Isotope_Atom_Count	0
74	Tautomer_Count	60
2604	Non-hydrogen_Atom_Count	20
78435478	Non-hydrogen_Atom_Count	23
53709010	Non-hydrogen_Atom_Count	13
72070	Tautomer_Count	1
129796414	Molecular_Weight	177.22
56950301	Structure_Complexity	732
94180	Defined_Atom_Stereo_Count	0
833992	Tautomer_Count	3
116701084	Molecular_Weight	104.15
78225453	TPSA	95.5
16130957	Covalent_Unit_Count	1
8579	XLogP3-AA	4.3
67108485	Exact_Mass	99.068413911
10138259	Isotope_Atom_Count	0
57403815	Total_Formal_Charge	0
56927690	Defined_Atom_Stereo_Count	0
9846339	Undefined_Atom_Stereo_Count	0
16005120	Molecular_Weight	93.13
29911	Molecular_Weight	828.5
144750	Total_Formal_Charge	0
9874874	Total_Formal_Charge	0
6961	Hydrogen_Bond_Donor_Count	4
9941444	TPSA	281
65834	Non-hydrogen_Atom_Count	22
9808	Covalent_Unit_Count	1
54303301	Structure_Complexity	70.1
5152	Mono_Isotopic_Weight	415.27225866
9956222	Non-hydrogen_Atom_Count	35
21327	Tautomer_Count	1
2082	Non-hydrogen_Atom_Count	18
68718	Undefined_Atom_Stereo_Count	0
5487888	Covalent_Unit_Count	1
549876	Undefined_Atom_Stereo_Count	0
32241	Covalent_Unit_Count	1
11518211	Structure_Complexity	699
575609	Total_Formal_Charge	0
9821849	Total_Formal_Charge	0
6560	Undefined_Bond_Stereo_Count	0
53967	Defined_Atom_Stereo_Count	0
134919	Undefined_Atom_Stereo_Count	0
45086592	TPSA	83.6
51042	Total_Formal_Charge	0
10465	Undefined_Atom_Stereo_Count	0
4659387	Exact_Mass	444.15821500
6918546	XLogP3-AA	0.8
30097	Undefined_Bond_Stereo_Count	0
3300	Covalent_Unit_Count	1
136122	Tautomer_Count	1
55290898	Undefined_Atom_Stereo_Count	1
136892	Tautomer_Count	2
70383887	Covalent_Unit_Count	1
71584930	Defined_Bond_Stereo_Count	0
11553983	Rotatable_Bond_Count	5
57399909	Non-hydrogen_Atom_Count	32
91763	Isotope_Atom_Count	0
3455	Total_Formal_Charge	0
10284	Total_Formal_Charge	0
135565424	Mono_Isotopic_Weight	266.14528450
4	Non-hydrogen_Atom_Count	5
19676	Isotope_Atom_Count	0
159772	Undefined_Bond_Stereo_Count	0
70124	Non-hydrogen_Atom_Count	10
6325382	Covalent_Unit_Count	1
164075219	Exact_Mass	106.078250319
71309905	Non-hydrogen_Atom_Count	12
7917	Non-hydrogen_Atom_Count	7
124518033	Defined_Atom_Stereo_Count	0
48670	TPSA	39.2
11344002	TPSA	40.3
23724530	Covalent_Unit_Count	1
23694214	Rotatable_Bond_Count	7
63016	Non-hydrogen_Atom_Count	31
121639	TPSA	150
24891699	Hydrogen_Bond_Acceptor_Count	6
274074	Molecular_Weight	362.5
105145	Mono_Isotopic_Weight	68.92557
453618	Mono_Isotopic_Weight	776.23348565
11746	TPSA	37.3
65940	Hydrogen_Bond_Acceptor_Count	7
165363121	Undefined_Bond_Stereo_Count	0
98174	Defined_Bond_Stereo_Count	0
130443213	Total_Formal_Charge	0
12407016	Non-hydrogen_Atom_Count	8
4583497	Hydrogen_Bond_Donor_Count	2
259992	Defined_Bond_Stereo_Count	0
40602794	Rotatable_Bond_Count	3
59630	Molecular_Weight	297.5
8188	Non-hydrogen_Atom_Count	12
15448	Hydrogen_Bond_Acceptor_Count	1
97842	XLogP3-AA	2.2
155907178	Hydrogen_Bond_Acceptor_Count	4
143588	Undefined_Bond_Stereo_Count	0
219023	Covalent_Unit_Count	1
70447	Defined_Bond_Stereo_Count	0
19754954	Molecular_Weight	100.16
7473	Non-hydrogen_Atom_Count	10
12301251	Total_Formal_Charge	0
119047	Hydrogen_Bond_Donor_Count	0
161094262	Molecular_Weight	86.14
156963344	TPSA	85.2
69310	Mono_Isotopic_Weight	554.45463969
9926054	TPSA	68.2
7659	Mono_Isotopic_Weight	252.115029749
23440949	Defined_Atom_Stereo_Count	0
668649	Structure_Complexity	435
5195	Undefined_Atom_Stereo_Count	1
100156	Undefined_Bond_Stereo_Count	0
55752	Exact_Mass	440.22459745
45488104	Undefined_Atom_Stereo_Count	0
45086592	Mono_Isotopic_Weight	133.07389321
54239389	Undefined_Atom_Stereo_Count	0
31143	Mono_Isotopic_Weight	238.13174244
159603	Exact_Mass	314.17427596
226108	Mono_Isotopic_Weight	116.058577502
7135	Hydrogen_Bond_Acceptor_Count	2
371715	Hydrogen_Bond_Donor_Count	1
12047567	Exact_Mass	1150.44734
6657	Molecular_Weight	103.12
25051993	TPSA	53.7
87833	TPSA	55.1
4389	Exact_Mass	215.07937252
129673373	Hydrogen_Bond_Acceptor_Count	14
46853873	Non-hydrogen_Atom_Count	93
6025	Covalent_Unit_Count	1
62306	Molecular_Weight	260.11
16726085	Isotope_Atom_Count	0
1507	TPSA	87.6
71451930	Structure_Complexity	953
61253	Structure_Complexity	269
441035	Rotatable_Bond_Count	1
71467	Isotope_Atom_Count	0
520744	Mono_Isotopic_Weight	142.135765193
11626920	Covalent_Unit_Count	1
705388	XLogP3-AA	3.8
15257141	Total_Formal_Charge	0
57459433	Undefined_Bond_Stereo_Count	0
76960246	Molecular_Weight	449.16
6436061	Exact_Mass	246.06405680
6918191	Covalent_Unit_Count	1
92140	Undefined_Atom_Stereo_Count	0
75073	Covalent_Unit_Count	1
1100	Covalent_Unit_Count	1
23666879	Hydrogen_Bond_Donor_Count	2
382	Hydrogen_Bond_Acceptor_Count	23
5282492	XLogP3	3.9
131673820	Defined_Atom_Stereo_Count	12
20872204	Defined_Bond_Stereo_Count	0
50317	Rotatable_Bond_Count	2
12557376	Structure_Complexity	42.8
21998683	XLogP3-AA	0.7
23677971	Tautomer_Count	1
139254656	Isotope_Atom_Count	0
122449120	Covalent_Unit_Count	1
10034073	Covalent_Unit_Count	1
67128499	Hydrogen_Bond_Donor_Count	2
23689980	Molecular_Weight	118.09
9811353	Hydrogen_Bond_Donor_Count	10
44207124	Covalent_Unit_Count	1
1284234	Structure_Complexity	223
62883	Mono_Isotopic_Weight	419.13623594
245005	TPSA	153
521459	Mono_Isotopic_Weight	49.0078250319
260809	Exact_Mass	129.042593085
10618	Undefined_Bond_Stereo_Count	0
1570	Mono_Isotopic_Weight	127.00918496
5029	Covalent_Unit_Count	1
9639	Structure_Complexity	319
53038	Total_Formal_Charge	0
4168	Defined_Bond_Stereo_Count	0
6436870	Defined_Bond_Stereo_Count	1
72106	Molecular_Weight	395.4
9470	TPSA	45.2
36242	Total_Formal_Charge	0
626732	Undefined_Atom_Stereo_Count	3
66086	TPSA	0
77288	Hydrogen_Bond_Acceptor_Count	1
44565777	Undefined_Bond_Stereo_Count	0
148676572	Isotope_Atom_Count	0
89590	XLogP3	1.4
93251	Undefined_Atom_Stereo_Count	0
14923	Rotatable_Bond_Count	0
39425	Defined_Bond_Stereo_Count	0
107526	TPSA	118
8150	Total_Formal_Charge	0
25474	Undefined_Atom_Stereo_Count	0
68548	Undefined_Bond_Stereo_Count	0
82766	Total_Formal_Charge	0
4017	Mono_Isotopic_Weight	1406.93370526
449107	Molecular_Weight	531.7
6440397	Non-hydrogen_Atom_Count	22
11616111	TPSA	99
10661	Rotatable_Bond_Count	0
25563891	Covalent_Unit_Count	1
18387331	Mono_Isotopic_Weight	99.104799419
99058	Covalent_Unit_Count	1
11412	Exact_Mass	114.140850574
72493	Undefined_Atom_Stereo_Count	0
95400	Undefined_Atom_Stereo_Count	2
6808	Structure_Complexity	221
13611194	Hydrogen_Bond_Donor_Count	0
24916897	Defined_Bond_Stereo_Count	0
7213679	Structure_Complexity	820
134688993	TPSA	74.6
52999	Total_Formal_Charge	0
139079484	Non-hydrogen_Atom_Count	40
4552223	Total_Formal_Charge	0
9473	Undefined_Bond_Stereo_Count	0
758	Hydrogen_Bond_Acceptor_Count	31
137347968	Defined_Bond_Stereo_Count	0
7695	Undefined_Atom_Stereo_Count	0
86764	Exact_Mass	202.12050905
15926139	Undefined_Atom_Stereo_Count	0
509554	XLogP3-AA	4.7
5360621	Exact_Mass	461.16858144
24744154	Total_Formal_Charge	0
18506396	Isotope_Atom_Count	0
39985	Tautomer_Count	9
22661080	Exact_Mass	112.063662883
135461939	Molecular_Weight	270.24
11846570	Rotatable_Bond_Count	12
45266826	Defined_Atom_Stereo_Count	0
147630	Tautomer_Count	1
16832	Undefined_Bond_Stereo_Count	0
14717795	Covalent_Unit_Count	1
70377524	Non-hydrogen_Atom_Count	18
450601	Undefined_Atom_Stereo_Count	0
139078692	Undefined_Bond_Stereo_Count	0
97727	Rotatable_Bond_Count	2
398638	Exact_Mass	333.15896025
19994812	Total_Formal_Charge	0
70321834	Hydrogen_Bond_Acceptor_Count	3
26081	Total_Formal_Charge	0
19044091	Isotope_Atom_Count	0
20521861	Hydrogen_Bond_Donor_Count	1
108144	Hydrogen_Bond_Donor_Count	2
7048569	Undefined_Bond_Stereo_Count	0
164868049	TPSA	9.2
84106835	Rotatable_Bond_Count	0
5741	Mono_Isotopic_Weight	415.1914215
16051495	Non-hydrogen_Atom_Count	31
417575	Exact_Mass	100.052429494
64813	Exact_Mass	178.099379685
398558	Defined_Atom_Stereo_Count	2
46841787	Hydrogen_Bond_Donor_Count	1
19100324	Hydrogen_Bond_Donor_Count	1
53436345	TPSA	34.1
3568	Exact_Mass	338.10016753
440192	Undefined_Atom_Stereo_Count	1
135419182	Non-hydrogen_Atom_Count	33
492967	Defined_Bond_Stereo_Count	0
22944534	Hydrogen_Bond_Donor_Count	0
5218	Exact_Mass	436.28248899
123555270	Mono_Isotopic_Weight	108.093900383
123690360	Isotope_Atom_Count	0
3778	Mono_Isotopic_Weight	230.141913202
71426	Structure_Complexity	447
6442439	Undefined_Atom_Stereo_Count	0
4497	Undefined_Atom_Stereo_Count	1
162678	Isotope_Atom_Count	0
6688	XLogP3	3.7
24906119	Exact_Mass	420.11774960
11194304	TPSA	28.7
3035405	Exact_Mass	1212.68532087
21998472	Mono_Isotopic_Weight	208.146329876
11432	Structure_Complexity	38.8
122433	Defined_Bond_Stereo_Count	0
12423177	Undefined_Atom_Stereo_Count	0
3052775	Defined_Bond_Stereo_Count	0
256411	TPSA	88.6
542381	Hydrogen_Bond_Acceptor_Count	3
518962	Undefined_Bond_Stereo_Count	0
122214804	Mono_Isotopic_Weight	311.9868610
639420	Undefined_Atom_Stereo_Count	0
94228	Tautomer_Count	1
4471892	Hydrogen_Bond_Acceptor_Count	2
2713	Defined_Bond_Stereo_Count	0
15209807	Undefined_Bond_Stereo_Count	0
64247	Rotatable_Bond_Count	3
23434540	Structure_Complexity	76.8
12200	Total_Formal_Charge	0
71857	Non-hydrogen_Atom_Count	27
89053239	Hydrogen_Bond_Donor_Count	0
11212948	Exact_Mass	444.06121838
30291	XLogP3-AA	2.5
7721	Total_Formal_Charge	0
5986	Undefined_Bond_Stereo_Count	0
5281878	Undefined_Bond_Stereo_Count	0
12309460	Non-hydrogen_Atom_Count	19
11215	Total_Formal_Charge	0
122449120	Rotatable_Bond_Count	0
118701617	Defined_Atom_Stereo_Count	11
68203	Undefined_Atom_Stereo_Count	0
96458	Mono_Isotopic_Weight	358.0985242
57131886	Covalent_Unit_Count	1
968609	Exact_Mass	336.06023472
13789	Hydrogen_Bond_Donor_Count	0
6433547	Non-hydrogen_Atom_Count	12
67246787	Structure_Complexity	652
414244	Molecular_Weight	117.15
23436	Exact_Mass	204.0341926
123512955	Covalent_Unit_Count	1
101094784	TPSA	69.7
20526803	Hydrogen_Bond_Acceptor_Count	2
12251	Tautomer_Count	1
101023318	Undefined_Bond_Stereo_Count	0
53759539	Molecular_Weight	270.25
31253	Defined_Atom_Stereo_Count	0
5476374	Defined_Bond_Stereo_Count	0
165339	Structure_Complexity	86.6
84986	Mono_Isotopic_Weight	210.0798001
84661	Hydrogen_Bond_Donor_Count	0
8115	TPSA	9.2
213	Structure_Complexity	459
17963208	XLogP3-AA	4.8
54697783	Defined_Atom_Stereo_Count	0
3005573	Rotatable_Bond_Count	9
54675866	Mono_Isotopic_Weight	153.01878364
7319	Non-hydrogen_Atom_Count	13
14683451	Mono_Isotopic_Weight	100.063662883
9826528	Undefined_Atom_Stereo_Count	0
5391	Defined_Bond_Stereo_Count	0
6918025	Isotope_Atom_Count	0
989	TPSA	46.5
46783232	Covalent_Unit_Count	2
3706	XLogP3-AA	2.8
23092834	XLogP3-AA	1.5
706485	Defined_Bond_Stereo_Count	0
639095	Hydrogen_Bond_Donor_Count	1
14470	Mono_Isotopic_Weight	87.068413911
29971	Defined_Atom_Stereo_Count	0
39507	Total_Formal_Charge	0
35489	Mono_Isotopic_Weight	359.010743
3772	Defined_Bond_Stereo_Count	0
2783363	Isotope_Atom_Count	0
6436055	Covalent_Unit_Count	1
39503	TPSA	42
83656	Defined_Atom_Stereo_Count	0
18062	Molecular_Weight	194.27
57992122	Hydrogen_Bond_Acceptor_Count	4
54368808	Defined_Bond_Stereo_Count	0
163321054	Hydrogen_Bond_Donor_Count	8
22833502	Mono_Isotopic_Weight	289.920654
6369390	Exact_Mass	78.99489136
101248703	Hydrogen_Bond_Acceptor_Count	7
16051584	Undefined_Atom_Stereo_Count	1
2697	Hydrogen_Bond_Acceptor_Count	6
23381756	XLogP3-AA	0.7
45788574	Isotope_Atom_Count	0
153254665	Molecular_Weight	111.18
56963011	Total_Formal_Charge	0
87653	Undefined_Bond_Stereo_Count	0
6433412	Undefined_Bond_Stereo_Count	0
72142	Rotatable_Bond_Count	5
119607	Undefined_Bond_Stereo_Count	0
83904774	Total_Formal_Charge	0
134824657	Mono_Isotopic_Weight	529.21726296
101432819	Non-hydrogen_Atom_Count	9
135398739	Total_Formal_Charge	0
307976	Rotatable_Bond_Count	0
446504	Covalent_Unit_Count	1
84166	Hydrogen_Bond_Donor_Count	0
118917438	Molecular_Weight	115.13
24853	Undefined_Atom_Stereo_Count	0
1464	Covalent_Unit_Count	1
87485	Tautomer_Count	1
71435578	Hydrogen_Bond_Donor_Count	0
15517313	Exact_Mass	689.64509729
10528103	Hydrogen_Bond_Donor_Count	3
86287410	XLogP3-AA	2.8
65808	Rotatable_Bond_Count	13
17811	Rotatable_Bond_Count	3
21717212	Hydrogen_Bond_Acceptor_Count	7
94785	Defined_Atom_Stereo_Count	0
14651092	TPSA	69.6
9895694	Mono_Isotopic_Weight	642.39203944
163872483	Undefined_Atom_Stereo_Count	3
535197	Exact_Mass	98.073164938
446915	Structure_Complexity	1730
1549778	Structure_Complexity	230
90165975	Structure_Complexity	382
75828	Hydrogen_Bond_Donor_Count	0
33944	Tautomer_Count	1
46708292	Non-hydrogen_Atom_Count	20
6454	Total_Formal_Charge	0
7413	XLogP3-AA	1.9
20473149	Molecular_Weight	146.14
9690	XLogP3	4.7
2762918	Undefined_Atom_Stereo_Count	0
102614	Isotope_Atom_Count	0
94247	Non-hydrogen_Atom_Count	12
36190	Hydrogen_Bond_Donor_Count	0
90571	Isotope_Atom_Count	0
63096	Undefined_Atom_Stereo_Count	0
13507	Defined_Atom_Stereo_Count	0
11870469	Hydrogen_Bond_Donor_Count	2
23960	Isotope_Atom_Count	0
4403	Mono_Isotopic_Weight	361.07873486
91323352	Molecular_Weight	453.5
82045	Exact_Mass	315.27734404
53320169	Covalent_Unit_Count	1
21047	Mono_Isotopic_Weight	397.24259324
6537505	Hydrogen_Bond_Acceptor_Count	3
130025741	TPSA	17.1
35949	Hydrogen_Bond_Donor_Count	0
23681045	Tautomer_Count	1
23663974	Hydrogen_Bond_Donor_Count	3
54152337	Defined_Bond_Stereo_Count	0
67215	Hydrogen_Bond_Donor_Count	0
5311169	Hydrogen_Bond_Donor_Count	16
53896476	Hydrogen_Bond_Acceptor_Count	1
19816937	Hydrogen_Bond_Donor_Count	2
13529	XLogP3	1.7
5312137	Hydrogen_Bond_Donor_Count	2
22628430	Molecular_Weight	97.12
1155	TPSA	58.9
78157544	Total_Formal_Charge	0
68128	Defined_Bond_Stereo_Count	0
120942	Total_Formal_Charge	4
24180686	Structure_Complexity	420
189914	Exact_Mass	450.23257867
133655777	Rotatable_Bond_Count	6
69885	Defined_Atom_Stereo_Count	0
762788	Undefined_Atom_Stereo_Count	0
13898	Hydrogen_Bond_Acceptor_Count	2
14925	Molecular_Weight	176.12
445561	Structure_Complexity	1140
65036	Total_Formal_Charge	0
124224930	Undefined_Bond_Stereo_Count	0
55291579	Total_Formal_Charge	0
5282182	Undefined_Atom_Stereo_Count	0
71624469	Rotatable_Bond_Count	1
109325	Non-hydrogen_Atom_Count	13
9865929	Hydrogen_Bond_Donor_Count	2
18430	Hydrogen_Bond_Acceptor_Count	1
551240	Covalent_Unit_Count	1
22004078	Structure_Complexity	92.3
25217	Hydrogen_Bond_Donor_Count	0
165365661	Defined_Atom_Stereo_Count	0
213056	Mono_Isotopic_Weight	185.06880783
6918309	Mono_Isotopic_Weight	440.06129312
136266076	Mono_Isotopic_Weight	318.01162
23968	Hydrogen_Bond_Donor_Count	0
657381	Non-hydrogen_Atom_Count	26
519543	Hydrogen_Bond_Donor_Count	0
53954226	Covalent_Unit_Count	1
57013	XLogP3-AA	3.8
1921	Undefined_Bond_Stereo_Count	0
135430795	Total_Formal_Charge	0
5324720	Tautomer_Count	3
2453568	Isotope_Atom_Count	0
47364	Undefined_Bond_Stereo_Count	0
379058	Non-hydrogen_Atom_Count	46
134537	Structure_Complexity	750
185698	Hydrogen_Bond_Donor_Count	5
12321786	Rotatable_Bond_Count	3
139580	Defined_Bond_Stereo_Count	0
61534	Hydrogen_Bond_Acceptor_Count	2
66764517	Undefined_Bond_Stereo_Count	0
70682213	Isotope_Atom_Count	0
2822	Covalent_Unit_Count	1
11507	Isotope_Atom_Count	0
618	TPSA	168
71898	Covalent_Unit_Count	2
12002774	Defined_Bond_Stereo_Count	0
708	TPSA	113
12200971	Total_Formal_Charge	0
13437377	Hydrogen_Bond_Donor_Count	1
21895383	TPSA	54.6
50317	Hydrogen_Bond_Acceptor_Count	2
10470290	Hydrogen_Bond_Acceptor_Count	4
5355732	Exact_Mass	81.057849228
104276777	Structure_Complexity	120
60196366	Hydrogen_Bond_Donor_Count	6
70715	TPSA	64.7
5353439	Non-hydrogen_Atom_Count	43
439839	Exact_Mass	100.088815002
22635267	Molecular_Weight	360.65
7336	Hydrogen_Bond_Donor_Count	0
76658	Structure_Complexity	192
5513	Undefined_Atom_Stereo_Count	31
71323382	Mono_Isotopic_Weight	77.026549100
7348	Structure_Complexity	254
45878	Hydrogen_Bond_Donor_Count	0
3778	Total_Formal_Charge	0
230920	Molecular_Weight	154.25
42632610	Total_Formal_Charge	0
23675622	Tautomer_Count	12
7914	Hydrogen_Bond_Donor_Count	0
22646212	Undefined_Bond_Stereo_Count	0
6441264	Structure_Complexity	1870
21549213	Mono_Isotopic_Weight	102.068079557
887830	Total_Formal_Charge	0
43366	Rotatable_Bond_Count	0
10702	Total_Formal_Charge	0
6436138	Exact_Mass	424.0938327
64032	Exact_Mass	332.0806812
71624343	Structure_Complexity	546
520383	Undefined_Atom_Stereo_Count	1
13925	Hydrogen_Bond_Donor_Count	1
584	Isotope_Atom_Count	0
156255626	Isotope_Atom_Count	0
657302	Tautomer_Count	2
519103	Total_Formal_Charge	0
41733	Covalent_Unit_Count	2
5311181	Isotope_Atom_Count	0
5362736	Defined_Atom_Stereo_Count	0
181052	XLogP3-AA	3.3
46783812	Covalent_Unit_Count	5
15313	Molecular_Weight	185.06
91688	Exact_Mass	281.0407907
4931	Rotatable_Bond_Count	3
9548802	Undefined_Bond_Stereo_Count	0
135854412	Rotatable_Bond_Count	0
16202184	Mono_Isotopic_Weight	384.15976871
67805120	Hydrogen_Bond_Acceptor_Count	0
10269	Mono_Isotopic_Weight	236.177630004
33645	Tautomer_Count	1
135423792	Defined_Bond_Stereo_Count	0
8419	Undefined_Atom_Stereo_Count	0
90722224	Mono_Isotopic_Weight	112.088815002
61431	Hydrogen_Bond_Donor_Count	0
21031014	XLogP3-AA	0.3
7247	Covalent_Unit_Count	1
96458	XLogP3-AA	6
78383862	Defined_Atom_Stereo_Count	0
22731481	Rotatable_Bond_Count	1
21616978	Isotope_Atom_Count	0
951	Isotope_Atom_Count	0
142882	Undefined_Atom_Stereo_Count	0
16219944	Undefined_Atom_Stereo_Count	0
17754007	Structure_Complexity	192
4323	Hydrogen_Bond_Donor_Count	4
2721	Undefined_Bond_Stereo_Count	1
69060	Undefined_Bond_Stereo_Count	0
45878	Structure_Complexity	342
44719848	Rotatable_Bond_Count	0
19354533	Covalent_Unit_Count	1
44392167	Non-hydrogen_Atom_Count	37
11344002	Defined_Bond_Stereo_Count	0
25110841	Mono_Isotopic_Weight	551.1291086
54584098	TPSA	46.5
67808	Rotatable_Bond_Count	1
29385	Non-hydrogen_Atom_Count	7
53436345	Isotope_Atom_Count	0
96670	TPSA	50.4
19782023	XLogP3-AA	0.2
3856780	Hydrogen_Bond_Acceptor_Count	6
10130360	Structure_Complexity	193
111727	Hydrogen_Bond_Acceptor_Count	3
70688569	Structure_Complexity	688
70034662	Hydrogen_Bond_Acceptor_Count	1
78145	Hydrogen_Bond_Acceptor_Count	3
14320623	XLogP3-AA	2
71321	Mono_Isotopic_Weight	309.0767857
57060020	TPSA	38
130002904	Mono_Isotopic_Weight	114.068079557
33547	TPSA	101
3017336	Molecular_Weight	114.14
136086851	Covalent_Unit_Count	2
16657	Exact_Mass	98.109550447
73801102	Undefined_Bond_Stereo_Count	1
20003	Defined_Bond_Stereo_Count	0
11017510	Covalent_Unit_Count	1
2572037	XLogP3-AA	3.3
52944109	Molecular_Weight	415.4
131954763	Hydrogen_Bond_Acceptor_Count	4
53954226	Rotatable_Bond_Count	0
155354	Defined_Bond_Stereo_Count	0
3086167	Undefined_Atom_Stereo_Count	0
15904927	TPSA	52
667684	Hydrogen_Bond_Donor_Count	1
53869954	Isotope_Atom_Count	0
70447162	Defined_Atom_Stereo_Count	0
54076653	Undefined_Bond_Stereo_Count	0
11505444	Mono_Isotopic_Weight	617.25595715
38627	Tautomer_Count	1
12774540	Covalent_Unit_Count	1
5372405	XLogP3-AA	2.8
545809	Non-hydrogen_Atom_Count	14
141543352	Defined_Atom_Stereo_Count	0
6931	Defined_Bond_Stereo_Count	0
190291	Defined_Atom_Stereo_Count	0
31278	Defined_Bond_Stereo_Count	0
13351229	Hydrogen_Bond_Donor_Count	2
57469	Undefined_Atom_Stereo_Count	0
5281116	Undefined_Atom_Stereo_Count	0
439811	Rotatable_Bond_Count	3
98136	Hydrogen_Bond_Donor_Count	1
57384040	Defined_Atom_Stereo_Count	0
11251803	Structure_Complexity	2320
79964	TPSA	1
67718	Isotope_Atom_Count	0
43834	Mono_Isotopic_Weight	256.109944368
11395145	Tautomer_Count	1
54025111	Hydrogen_Bond_Acceptor_Count	2
19965	Mono_Isotopic_Weight	96.093900383
57403867	Hydrogen_Bond_Acceptor_Count	10
129760006	Total_Formal_Charge	0
1094	Hydrogen_Bond_Donor_Count	4
22135	Defined_Atom_Stereo_Count	0
7665	XLogP3-AA	2.8
23685849	Hydrogen_Bond_Acceptor_Count	5
8194	Hydrogen_Bond_Acceptor_Count	1
53810451	Hydrogen_Bond_Donor_Count	0
11480402	Undefined_Atom_Stereo_Count	0
53863747	Defined_Bond_Stereo_Count	0
3398	Undefined_Atom_Stereo_Count	1
54315893	Defined_Atom_Stereo_Count	0
709	Rotatable_Bond_Count	3
23270355	XLogP3-AA	0.9
22147963	Structure_Complexity	133
87809064	Covalent_Unit_Count	1
11829354	Non-hydrogen_Atom_Count	6
5094	Undefined_Bond_Stereo_Count	0
7982	Isotope_Atom_Count	0
10217	Structure_Complexity	538
135456190	Exact_Mass	328.15870608
79316	Defined_Atom_Stereo_Count	0
59703138	Hydrogen_Bond_Acceptor_Count	4
8815	Molecular_Weight	148.20
15593	Defined_Bond_Stereo_Count	0
67639	Molecular_Weight	332.09
31277	Undefined_Bond_Stereo_Count	0
15405197	TPSA	6.5
129679806	Exact_Mass	116.047344113
11349000	Exact_Mass	362.12127520
6857537	Tautomer_Count	1
159466	Hydrogen_Bond_Acceptor_Count	7
73603	Undefined_Atom_Stereo_Count	1
6327114	Tautomer_Count	1
131751505	Undefined_Bond_Stereo_Count	0
135465069	Tautomer_Count	4
12698	Undefined_Bond_Stereo_Count	0
2144	TPSA	142
20996	Hydrogen_Bond_Acceptor_Count	0
133613144	Defined_Atom_Stereo_Count	20
638178	Covalent_Unit_Count	2
17693	Defined_Atom_Stereo_Count	0
7483	Molecular_Weight	152.15
23599502	Defined_Bond_Stereo_Count	0
3518	XLogP3-AA	0.5
57401295	XLogP3-AA	3
70267665	Total_Formal_Charge	0
130250598	Non-hydrogen_Atom_Count	8
54480591	Defined_Atom_Stereo_Count	0
10497540	Rotatable_Bond_Count	4
522266	Undefined_Atom_Stereo_Count	5
68617	Non-hydrogen_Atom_Count	20
13059052	Hydrogen_Bond_Donor_Count	2
5284613	Non-hydrogen_Atom_Count	38
57441855	Total_Formal_Charge	0
16129682	Total_Formal_Charge	0
198061	Defined_Atom_Stereo_Count	0
23635314	Defined_Bond_Stereo_Count	0
522354	Structure_Complexity	70.8
60196360	Undefined_Atom_Stereo_Count	1
79123	Structure_Complexity	77.8
135491728	Total_Formal_Charge	0
53796209	Defined_Bond_Stereo_Count	0
9939892	Tautomer_Count	4
40521	Mono_Isotopic_Weight	335.0724492
44119664	Defined_Bond_Stereo_Count	0
69532978	Defined_Bond_Stereo_Count	0
65535	TPSA	31.8
23680396	Hydrogen_Bond_Donor_Count	2
69340339	XLogP3-AA	0.3
73082918	Total_Formal_Charge	0
15179723	Structure_Complexity	62.7
132677	Covalent_Unit_Count	1
402	TPSA	1
53555	Molecular_Weight	283.32
98330	Defined_Atom_Stereo_Count	0
2736	Molecular_Weight	412.6
54608115	Isotope_Atom_Count	0
70686982	Molecular_Weight	514.0
88255060	Total_Formal_Charge	0
21958	Hydrogen_Bond_Donor_Count	0
328257	Non-hydrogen_Atom_Count	7
50990560	Defined_Atom_Stereo_Count	18
5464200	Undefined_Bond_Stereo_Count	0
15084311	Defined_Bond_Stereo_Count	0
905454	Isotope_Atom_Count	0
164113877	Defined_Bond_Stereo_Count	0
16212746	Molecular_Weight	344.40
446576	Defined_Bond_Stereo_Count	0
23674496	TPSA	105
66259	Hydrogen_Bond_Acceptor_Count	2
23662403	Exact_Mass	348.17351024
5622	Hydrogen_Bond_Acceptor_Count	8
538333	Non-hydrogen_Atom_Count	8
69810334	Structure_Complexity	91
539829	TPSA	52.6
112322	Undefined_Bond_Stereo_Count	0
13598032	Hydrogen_Bond_Donor_Count	0
10110	TPSA	37.3
558521	Covalent_Unit_Count	1
461128	Structure_Complexity	666
74183	Defined_Atom_Stereo_Count	0
148184	TPSA	46.1
45	Hydrogen_Bond_Donor_Count	3
29976	Covalent_Unit_Count	3
124744577	Covalent_Unit_Count	1
123131999	Rotatable_Bond_Count	2
25818	Isotope_Atom_Count	0
579675	Defined_Atom_Stereo_Count	0
11434448	Total_Formal_Charge	0
62539	TPSA	34.1
67962	Undefined_Bond_Stereo_Count	0
5528	Isotope_Atom_Count	0
14537	Rotatable_Bond_Count	0
71469	Defined_Atom_Stereo_Count	27
55874	TPSA	119
64737	TPSA	32.3
5158	TPSA	431
89076189	Total_Formal_Charge	0
142883	Hydrogen_Bond_Donor_Count	0
10930	Non-hydrogen_Atom_Count	7
693502	Isotope_Atom_Count	0
77603	XLogP3-AA	0.5
124770287	Rotatable_Bond_Count	3
71360359	Exact_Mass	108.057514874
5284459	Defined_Atom_Stereo_Count	0
573470	Undefined_Atom_Stereo_Count	0
16220011	Covalent_Unit_Count	1
1977386	XLogP3-AA	3.4
154247752	Molecular_Weight	104.15
134826477	Exact_Mass	765.14826780
16760159	Defined_Bond_Stereo_Count	0
6431226	Non-hydrogen_Atom_Count	14
5365332	Undefined_Bond_Stereo_Count	0
46856306	Hydrogen_Bond_Donor_Count	3
119069	Defined_Bond_Stereo_Count	0
561096	Molecular_Weight	92.14
4359436	Defined_Bond_Stereo_Count	0
9846339	Isotope_Atom_Count	0
87671446	Isotope_Atom_Count	0
69627	Undefined_Bond_Stereo_Count	0
124769750	Molecular_Weight	284.35
60573	Exact_Mass	363.11978
37968	Undefined_Atom_Stereo_Count	0
25014762	Rotatable_Bond_Count	6
3000346	Hydrogen_Bond_Donor_Count	3
205586	Covalent_Unit_Count	1
11742188	Mono_Isotopic_Weight	408.11437830
21723	Defined_Bond_Stereo_Count	0
3849989	Hydrogen_Bond_Acceptor_Count	2
21998212	TPSA	52.3
9828310	Exact_Mass	527.31707780
6426849	Exact_Mass	329.12969401
11558904	Structure_Complexity	465
63826	Total_Formal_Charge	0
12869962	Isotope_Atom_Count	0
5486699	Hydrogen_Bond_Donor_Count	10
7287	Hydrogen_Bond_Donor_Count	1
249786	Defined_Atom_Stereo_Count	0
16129688	Exact_Mass	1619.71036639
37768	Isotope_Atom_Count	0
82406	Hydrogen_Bond_Donor_Count	0
45488107	Covalent_Unit_Count	1
19526	Hydrogen_Bond_Acceptor_Count	2
11837140	Defined_Bond_Stereo_Count	0
53393621	Molecular_Weight	364.9
20728717	Covalent_Unit_Count	1
162501	Undefined_Bond_Stereo_Count	0
65052	Mono_Isotopic_Weight	137.047678466
95809	XLogP3-AA	5.5
44393	Exact_Mass	280.125200510
7620	Undefined_Atom_Stereo_Count	0
598696	Exact_Mass	338.0822054
10182969	Structure_Complexity	777
153977505	Molecular_Weight	96.09
88524529	Undefined_Bond_Stereo_Count	0
165708195	Molecular_Weight	110.15
11073376	Total_Formal_Charge	0
682654	Total_Formal_Charge	0
138190	TPSA	20.2
11783	Undefined_Atom_Stereo_Count	0
11949285	Tautomer_Count	1
56841936	Tautomer_Count	1
15700781	Rotatable_Bond_Count	2
40302	Molecular_Weight	176.24
102503760	TPSA	231
826870	TPSA	20.3
81263	Defined_Bond_Stereo_Count	0
53894233	TPSA	17.1
114823056	Rotatable_Bond_Count	0
160154	Rotatable_Bond_Count	2
251070	Tautomer_Count	1
14871	Rotatable_Bond_Count	14
88706	Exact_Mass	318.0407345
37467	Hydrogen_Bond_Acceptor_Count	2
59277756	Mono_Isotopic_Weight	99.043261792
14022499	TPSA	50.5
55287958	Hydrogen_Bond_Acceptor_Count	2
57734486	Molecular_Weight	357.4
3796640	Mono_Isotopic_Weight	265.13274550
23182417	Structure_Complexity	119
3016	Isotope_Atom_Count	0
6883	Undefined_Atom_Stereo_Count	0
543706	Mono_Isotopic_Weight	114.068079557
441307	Exact_Mass	372.1815851
8258	Tautomer_Count	1
17071	TPSA	20.3
73648	Undefined_Atom_Stereo_Count	0
25247	Defined_Atom_Stereo_Count	0
6881	XLogP3	4
5280373	Undefined_Bond_Stereo_Count	0
46830487	Covalent_Unit_Count	1
46937007	Rotatable_Bond_Count	6
21210	Structure_Complexity	54.9
88705	Covalent_Unit_Count	1
117273842	Defined_Atom_Stereo_Count	0
37464	Hydrogen_Bond_Donor_Count	2
99478	Hydrogen_Bond_Acceptor_Count	5
4876	Non-hydrogen_Atom_Count	10
92180	Structure_Complexity	236
1163242	XLogP3-AA	4.5
16722126	Defined_Bond_Stereo_Count	0
7119	Defined_Atom_Stereo_Count	0
20371324	Mono_Isotopic_Weight	116.058577502
102503760	Exact_Mass	665.30474055
54321	Rotatable_Bond_Count	4
51371222	TPSA	91.2
53756508	Rotatable_Bond_Count	1
57191557	Hydrogen_Bond_Acceptor_Count	2
198747	Covalent_Unit_Count	1
6365696	Mono_Isotopic_Weight	280.240230259
56617809	Non-hydrogen_Atom_Count	7
11051613	Undefined_Atom_Stereo_Count	1
7680	Covalent_Unit_Count	1
494148	Undefined_Atom_Stereo_Count	8
6047	Structure_Complexity	209
3661	Defined_Bond_Stereo_Count	0
74170	Non-hydrogen_Atom_Count	6
282752	Undefined_Bond_Stereo_Count	0
2723949	TPSA	58.1
441407	Isotope_Atom_Count	0
751505	Hydrogen_Bond_Acceptor_Count	4
74766064	Total_Formal_Charge	0
23724801	Mono_Isotopic_Weight	375.1601214
25245437	Molecular_Weight	688.7
5282251	Hydrogen_Bond_Donor_Count	2
443131	XLogP3	3.3
53635139	Isotope_Atom_Count	0
1550489	Rotatable_Bond_Count	0
143500	XLogP3-AA	0.7
14920524	Covalent_Unit_Count	1
22836366	Covalent_Unit_Count	1
10186986	Rotatable_Bond_Count	12
19966840	Rotatable_Bond_Count	0
24367	Structure_Complexity	322
11412777	Hydrogen_Bond_Donor_Count	0
60196321	Defined_Bond_Stereo_Count	0
12848392	Defined_Bond_Stereo_Count	0
154552978	Undefined_Atom_Stereo_Count	0
44321290	Covalent_Unit_Count	1
2044	Covalent_Unit_Count	1
605461	Undefined_Bond_Stereo_Count	0
44570851	Isotope_Atom_Count	0
43801121	XLogP3-AA	0.7
92942	Undefined_Bond_Stereo_Count	0
53847404	Defined_Bond_Stereo_Count	0
155491233	Hydrogen_Bond_Acceptor_Count	8
18378000	Rotatable_Bond_Count	0
70694239	Rotatable_Bond_Count	4
11829353	Undefined_Atom_Stereo_Count	0
127054492	Defined_Bond_Stereo_Count	0
42602097	Undefined_Atom_Stereo_Count	1
92155	Structure_Complexity	730
71470	Exact_Mass	518.26798174
5188	Structure_Complexity	455
666418	Exact_Mass	180.07211956
5311466	TPSA	65.5
54584708	XLogP3-AA	4.9
25192275	Molecular_Weight	447.5
117822	Structure_Complexity	356
33498	Exact_Mass	214.04121336
11556910	TPSA	91.2
12497	Defined_Atom_Stereo_Count	0
6972	Undefined_Atom_Stereo_Count	0
6245	Hydrogen_Bond_Donor_Count	4
71671	Undefined_Atom_Stereo_Count	1
46853873	Defined_Atom_Stereo_Count	14
176448	Mono_Isotopic_Weight	148.052429494
7951	Defined_Bond_Stereo_Count	0
1211493	Molecular_Weight	282.12
5354133	Mono_Isotopic_Weight	312.26644501
722533	Molecular_Weight	292.31
54753	Covalent_Unit_Count	1
68553	Undefined_Bond_Stereo_Count	0
18593	TPSA	60.2
44455234	Hydrogen_Bond_Donor_Count	4
13447028	Molecular_Weight	111.14
77520435	Exact_Mass	358.19836
14041	Undefined_Atom_Stereo_Count	0
87220078	Structure_Complexity	121
151104	Exact_Mass	232.03480437
375	Rotatable_Bond_Count	31
171296	Mono_Isotopic_Weight	291.1138399
70040	Molecular_Weight	212.29
22277879	Defined_Atom_Stereo_Count	0
2724552	Hydrogen_Bond_Donor_Count	5
156320	Exact_Mass	343.1550360
57261612	Exact_Mass	109.063997236
69550	Exact_Mass	238.07020481
7107	Defined_Bond_Stereo_Count	0
67578175	Defined_Bond_Stereo_Count	0
3083540	Hydrogen_Bond_Acceptor_Count	3
6102790	Hydrogen_Bond_Acceptor_Count	6
193168	Covalent_Unit_Count	1
67507057	Covalent_Unit_Count	1
21973793	Undefined_Bond_Stereo_Count	0
6419966	TPSA	244
74120	Tautomer_Count	1
3085267	Exact_Mass	274.06636548
73433	Hydrogen_Bond_Donor_Count	2
21581715	Undefined_Bond_Stereo_Count	0
7923	Defined_Bond_Stereo_Count	0
169986	Undefined_Atom_Stereo_Count	0
57064571	Undefined_Bond_Stereo_Count	1
15926139	Isotope_Atom_Count	0
52949464	Defined_Atom_Stereo_Count	1
11523	Tautomer_Count	1
16217	Undefined_Bond_Stereo_Count	0
20055008	Defined_Atom_Stereo_Count	7
21092	Covalent_Unit_Count	1
29935	Defined_Atom_Stereo_Count	0
123298786	Defined_Atom_Stereo_Count	0
521939	Undefined_Atom_Stereo_Count	0
134399	Structure_Complexity	86.9
11582982	Non-hydrogen_Atom_Count	30
8588	Molecular_Weight	210.27
61185	Defined_Bond_Stereo_Count	0
22833341	Mono_Isotopic_Weight	554.016873
12724530	Structure_Complexity	84.2
6940	Undefined_Atom_Stereo_Count	0
44266427	Mono_Isotopic_Weight	282.14672380
2106897	Molecular_Weight	110.16
22125	Defined_Atom_Stereo_Count	0
16787580	Defined_Bond_Stereo_Count	0
565635	Rotatable_Bond_Count	4
3586	Undefined_Atom_Stereo_Count	3
16138	Tautomer_Count	1
71452498	Exact_Mass	535.12133477
25011728	Molecular_Weight	419.8
4564493	TPSA	46.5
534753	Isotope_Atom_Count	0
16073	TPSA	38.3
5278	Exact_Mass	390.00153
33786	Undefined_Atom_Stereo_Count	0
596237	Undefined_Bond_Stereo_Count	0
54710618	Undefined_Bond_Stereo_Count	0
70023156	Structure_Complexity	140
257761	Defined_Bond_Stereo_Count	0
10507011	Defined_Atom_Stereo_Count	0
62705859	Molecular_Weight	457.4
2895	Hydrogen_Bond_Donor_Count	0
13120	Rotatable_Bond_Count	4
53978942	XLogP3-AA	1.4
100641	Hydrogen_Bond_Acceptor_Count	6
9348	Structure_Complexity	246
71309129	Rotatable_Bond_Count	1
424	Defined_Atom_Stereo_Count	0
49865972	XLogP3-AA	3.6
7421	Mono_Isotopic_Weight	137.084063974
28582	Exact_Mass	309.12210670
7777	Rotatable_Bond_Count	6
13235	Structure_Complexity	216
9693	TPSA	10.2
129318280	Isotope_Atom_Count	0
106358	Hydrogen_Bond_Acceptor_Count	4
14283	Covalent_Unit_Count	1
178096	Hydrogen_Bond_Donor_Count	2
443154	TPSA	196
6442439	Isotope_Atom_Count	0
6451477	TPSA	9.2
19993419	Undefined_Atom_Stereo_Count	1
59350891	XLogP3-AA	1.9
11262	Exact_Mass	100.088815002
44295739	Undefined_Atom_Stereo_Count	0
265810	Hydrogen_Bond_Donor_Count	2
13360	Undefined_Bond_Stereo_Count	0
18343309	Hydrogen_Bond_Acceptor_Count	4
66013	Mono_Isotopic_Weight	107.073499291
44521018	Total_Formal_Charge	0
102503853	Defined_Bond_Stereo_Count	0
15550385	Exact_Mass	276.14739250
11372	Rotatable_Bond_Count	0
2724032	Non-hydrogen_Atom_Count	11
18673160	Undefined_Bond_Stereo_Count	0
44424639	Undefined_Atom_Stereo_Count	0
12412244	Undefined_Atom_Stereo_Count	0
20847	Non-hydrogen_Atom_Count	24
688356	Structure_Complexity	394
6328526	Covalent_Unit_Count	2
18743	Undefined_Atom_Stereo_Count	0
28506	Structure_Complexity	328
2574	Exact_Mass	182.11676108
112322	Defined_Atom_Stereo_Count	0
89364481	Mono_Isotopic_Weight	116.083729621
53652433	Mono_Isotopic_Weight	112.052429494
137295261	Covalent_Unit_Count	1
9653	Molecular_Weight	276.4
3185	TPSA	87.8
44407737	Hydrogen_Bond_Donor_Count	1
16070030	Rotatable_Bond_Count	0
72187525	Hydrogen_Bond_Donor_Count	0
7105	Exact_Mass	221.084063974
54255838	Total_Formal_Charge	0
54160801	Hydrogen_Bond_Acceptor_Count	2
680036	Undefined_Atom_Stereo_Count	0
114864	Tautomer_Count	13
7451	Exact_Mass	201.9588348
9794203	Total_Formal_Charge	0
97390	Rotatable_Bond_Count	0
24800211	Covalent_Unit_Count	2
23690449	Tautomer_Count	2
90488948	Covalent_Unit_Count	1
5310805	Hydrogen_Bond_Acceptor_Count	5
141103237	Exact_Mass	116.083729621
20339874	Defined_Bond_Stereo_Count	0
220502	Isotope_Atom_Count	0
3033825	Non-hydrogen_Atom_Count	21
673970	TPSA	122
120096	Tautomer_Count	1
45807	Rotatable_Bond_Count	10
310	Structure_Complexity	168
86278404	Molecular_Weight	180.16
3591	Tautomer_Count	8
518733	Hydrogen_Bond_Donor_Count	1
126704391	Molecular_Weight	180.16
406167	Undefined_Atom_Stereo_Count	0
58595959	Defined_Bond_Stereo_Count	0
55287240	Defined_Atom_Stereo_Count	0
16362	Mono_Isotopic_Weight	461.22786888
74183	Hydrogen_Bond_Acceptor_Count	2
2816576	Defined_Atom_Stereo_Count	0
659009	Defined_Atom_Stereo_Count	0
230995	Defined_Atom_Stereo_Count	0
23164725	Molecular_Weight	113.11
135407408	Defined_Bond_Stereo_Count	0
1201546	Mono_Isotopic_Weight	132.96560607
11443029	Molecular_Weight	480.9
8028	Hydrogen_Bond_Donor_Count	0
10357919	Hydrogen_Bond_Donor_Count	1
61828	Undefined_Bond_Stereo_Count	0
2188	Undefined_Bond_Stereo_Count	0
12755803	Isotope_Atom_Count	0
2393	Defined_Atom_Stereo_Count	0
79008	Rotatable_Bond_Count	1
253881	Tautomer_Count	1
28639	Hydrogen_Bond_Donor_Count	0
16154490	Structure_Complexity	3940
82734	TPSA	61.6
90643	Structure_Complexity	372
11861988	Exact_Mass	134.096974387
51051642	Hydrogen_Bond_Acceptor_Count	17
123755	Hydrogen_Bond_Donor_Count	3
23667651	Non-hydrogen_Atom_Count	9
72200672	Mono_Isotopic_Weight	491.02763
91302105	XLogP3-AA	0.3
13930	Undefined_Bond_Stereo_Count	0
13694931	Covalent_Unit_Count	1
65870	Isotope_Atom_Count	0
543047	Exact_Mass	114.068079557
21470	Molecular_Weight	696.8
11275562	Rotatable_Bond_Count	0
1470	TPSA	87
136059	Hydrogen_Bond_Donor_Count	0
65664	Covalent_Unit_Count	1
84072037	Defined_Atom_Stereo_Count	0
20206342	Structure_Complexity	97.4
22349217	Structure_Complexity	110
59867303	Exact_Mass	112.063662883
24705318	Molecular_Weight	113.16
10960	Covalent_Unit_Count	1
47936	Tautomer_Count	2
62770	Molecular_Weight	564.0
11074101	Defined_Bond_Stereo_Count	0
81445	Total_Formal_Charge	0
102059894	Hydrogen_Bond_Donor_Count	3
103392307	Hydrogen_Bond_Acceptor_Count	1
484646	Covalent_Unit_Count	1
20253	Undefined_Atom_Stereo_Count	1
13040867	Defined_Atom_Stereo_Count	0
127030	Covalent_Unit_Count	1
87402170	Covalent_Unit_Count	1
4828	TPSA	57.3
137295275	Exact_Mass	1029.60248569
38102	Total_Formal_Charge	0
135499741	Defined_Bond_Stereo_Count	0
53701	Hydrogen_Bond_Acceptor_Count	4
87063833	Defined_Atom_Stereo_Count	0
60054	Hydrogen_Bond_Donor_Count	3
391	Isotope_Atom_Count	0
14465	TPSA	23.6
16050834	Hydrogen_Bond_Donor_Count	1
71312582	Exact_Mass	1264.0493678
68648	Total_Formal_Charge	0
5384411	Total_Formal_Charge	0
628999	Undefined_Bond_Stereo_Count	0
5371102	Undefined_Bond_Stereo_Count	0
13052632	Hydrogen_Bond_Donor_Count	2
3613700	Exact_Mass	203.0017026
47660	Isotope_Atom_Count	0
129662986	Isotope_Atom_Count	0
1123	Total_Formal_Charge	0
23671932	Defined_Bond_Stereo_Count	0
23899	Hydrogen_Bond_Acceptor_Count	7
4119106	Defined_Atom_Stereo_Count	0
142959	Non-hydrogen_Atom_Count	8
53846432	Total_Formal_Charge	0
9818306	Structure_Complexity	476
17480032	Total_Formal_Charge	0
19674	XLogP3-AA	3.9
10909508	Total_Formal_Charge	0
135566433	Defined_Atom_Stereo_Count	0
101661938	Isotope_Atom_Count	0
131632475	Undefined_Atom_Stereo_Count	1
14763103	Covalent_Unit_Count	1
3036056	Defined_Atom_Stereo_Count	0
9141	Defined_Bond_Stereo_Count	0
69392	Mono_Isotopic_Weight	72.057514874
26098	Isotope_Atom_Count	0
220164	Mono_Isotopic_Weight	84.057514874
66509091	Undefined_Bond_Stereo_Count	0
517106	Undefined_Atom_Stereo_Count	0
23663985	Isotope_Atom_Count	0
3114	Exact_Mass	339.231062557
22967002	Total_Formal_Charge	0
57394609	Non-hydrogen_Atom_Count	30
13521	Hydrogen_Bond_Acceptor_Count	4
85944292	Isotope_Atom_Count	0
8923	Tautomer_Count	1
18471709	Undefined_Atom_Stereo_Count	1
699572	Exact_Mass	330.0771200
5280604	Defined_Bond_Stereo_Count	10
44555481	Hydrogen_Bond_Donor_Count	0
5043	Isotope_Atom_Count	0
84029	TPSA	183
8713	Total_Formal_Charge	0
160692	Exact_Mass	251.094628657
90976358	Isotope_Atom_Count	0
18476134	Hydrogen_Bond_Acceptor_Count	3
154825180	Isotope_Atom_Count	0
444144	Hydrogen_Bond_Acceptor_Count	7
95479940	Total_Formal_Charge	0
77037484	TPSA	41.8
445501	Defined_Atom_Stereo_Count	1
139020	Covalent_Unit_Count	1
77529	Covalent_Unit_Count	1
21903575	Undefined_Bond_Stereo_Count	0
20080634	Structure_Complexity	88.5
73513	XLogP3-AA	1.5
71752170	Defined_Bond_Stereo_Count	0
145706202	Molecular_Weight	485.0
80971	Hydrogen_Bond_Acceptor_Count	3
1550846	Mono_Isotopic_Weight	129.057849228
22280261	Rotatable_Bond_Count	1
62766	Covalent_Unit_Count	2
2218	Tautomer_Count	3
54403482	Structure_Complexity	107
4538	Hydrogen_Bond_Donor_Count	3
512984	Hydrogen_Bond_Acceptor_Count	5
1562	Hydrogen_Bond_Donor_Count	3
82718176	Structure_Complexity	92.5
18779169	Exact_Mass	112.063662883
875202	Rotatable_Bond_Count	3
264	Total_Formal_Charge	0
97297	Molecular_Weight	392.15
380929	Hydrogen_Bond_Donor_Count	4
76365	Defined_Atom_Stereo_Count	0
73720	Molecular_Weight	166.29
68790	Covalent_Unit_Count	1
13758360	Defined_Atom_Stereo_Count	0
121026	TPSA	55.1
56621335	Mono_Isotopic_Weight	86.084398327
77763	TPSA	20.2
34148	Undefined_Bond_Stereo_Count	0
67858481	Hydrogen_Bond_Acceptor_Count	2
46201499	Structure_Complexity	66.6
10376	TPSA	35.5
466959	TPSA	177
2367	Rotatable_Bond_Count	4
11548000	TPSA	24.9
6514	Total_Formal_Charge	0
353481	TPSA	245
10579	XLogP3-AA	7
23010495	Undefined_Atom_Stereo_Count	4
84677	Isotope_Atom_Count	0
133109198	Covalent_Unit_Count	1
9875516	Defined_Bond_Stereo_Count	0
256539	Isotope_Atom_Count	0
104	Defined_Atom_Stereo_Count	0
2907	Hydrogen_Bond_Donor_Count	1
15951	Hydrogen_Bond_Acceptor_Count	5
246	Hydrogen_Bond_Acceptor_Count	5
13627693	XLogP3-AA	0.3
12049	Non-hydrogen_Atom_Count	7
16987	Mono_Isotopic_Weight	251.9937843
234839	Undefined_Bond_Stereo_Count	0
549780	TPSA	24.4
104799	XLogP3-AA	0.9
6866	Mono_Isotopic_Weight	196.9799046
13979010	Undefined_Bond_Stereo_Count	0
85307823	Mono_Isotopic_Weight	115.063328530
6540640	Molecular_Weight	505.0
4219798	Molecular_Weight	289.31
20061	Undefined_Bond_Stereo_Count	0
14523483	Undefined_Bond_Stereo_Count	0
5332	Structure_Complexity	376
9589606	Molecular_Weight	518.4
754780	TPSA	68.5
66191	Non-hydrogen_Atom_Count	9
42317	Undefined_Bond_Stereo_Count	0
12623293	XLogP3-AA	2.6
53472683	Defined_Atom_Stereo_Count	1
2734223	Isotope_Atom_Count	0
124449	Structure_Complexity	505
129983923	TPSA	12.5
84647648	Total_Formal_Charge	0
151243	Rotatable_Bond_Count	3
91618345	Covalent_Unit_Count	1
7380	Total_Formal_Charge	0
231880	Total_Formal_Charge	0
16049448	Structure_Complexity	581
96381	Mono_Isotopic_Weight	220.146329876
4599	Isotope_Atom_Count	0
13084	Defined_Atom_Stereo_Count	0
71027	TPSA	17.1
148007841	Undefined_Bond_Stereo_Count	0
863	Undefined_Bond_Stereo_Count	0
110976	Covalent_Unit_Count	1
57054	TPSA	251
520326	Rotatable_Bond_Count	6
11266523	Undefined_Bond_Stereo_Count	0
823	Hydrogen_Bond_Acceptor_Count	6
13874664	Structure_Complexity	93.8
5284595	Exact_Mass	311.15214353
90736069	Hydrogen_Bond_Donor_Count	2
16122643	Exact_Mass	333.0628670
6432238	Undefined_Atom_Stereo_Count	0
259577	Non-hydrogen_Atom_Count	30
54601825	Tautomer_Count	1
13180929	Exact_Mass	108.068748264
2299	Exact_Mass	477.17559883
98621118	Defined_Atom_Stereo_Count	6
47567	Defined_Bond_Stereo_Count	0
12302681	Undefined_Atom_Stereo_Count	1
13267937	TPSA	96.2
11480402	Undefined_Bond_Stereo_Count	0
160866	Hydrogen_Bond_Donor_Count	0
11004	Covalent_Unit_Count	1
2734168	XLogP3-AA	1.7
19089601	TPSA	69.1
6044	Molecular_Weight	357.16
441278	Exact_Mass	285.209264485
688378	Isotope_Atom_Count	0
61247	Non-hydrogen_Atom_Count	7
73879	Hydrogen_Bond_Acceptor_Count	0
16212317	Tautomer_Count	1
16238	Rotatable_Bond_Count	1
20605384	Mono_Isotopic_Weight	96.057514874
5369	XLogP3-AA	4
60627	Hydrogen_Bond_Donor_Count	1
67122	TPSA	77.3
524674	Undefined_Atom_Stereo_Count	2
5355732	Undefined_Atom_Stereo_Count	0
9885850	Hydrogen_Bond_Donor_Count	1
40302	Structure_Complexity	146
6915744	Total_Formal_Charge	0
134056	Defined_Bond_Stereo_Count	0
46795	Exact_Mass	301.06774
18698	Rotatable_Bond_Count	3
14294229	Total_Formal_Charge	0
3208	Isotope_Atom_Count	0
11800	Exact_Mass	246.0003056
6786	Hydrogen_Bond_Donor_Count	0
4358655	Hydrogen_Bond_Acceptor_Count	3
84788	Total_Formal_Charge	0
11460	Undefined_Bond_Stereo_Count	0
22502	Defined_Bond_Stereo_Count	0
145731381	TPSA	240
10162742	Structure_Complexity	686
91170688	Hydrogen_Bond_Acceptor_Count	3
9884029	Undefined_Bond_Stereo_Count	0
6096207	Isotope_Atom_Count	0
39929	Undefined_Bond_Stereo_Count	0
12302681	Molecular_Weight	342.30
82789	Undefined_Atom_Stereo_Count	0
74062	Defined_Atom_Stereo_Count	0
11659	Exact_Mass	241.77233
54338696	Undefined_Bond_Stereo_Count	1
46193078	Non-hydrogen_Atom_Count	20
9249	TPSA	0
1283	Undefined_Bond_Stereo_Count	0
521204	Mono_Isotopic_Weight	347.224914549
90227	Undefined_Bond_Stereo_Count	0
6328200	Hydrogen_Bond_Donor_Count	0
224844	XLogP3-AA	2.3
14020433	Undefined_Atom_Stereo_Count	2
76224463	TPSA	65
5281116	Isotope_Atom_Count	0
1478923	Exact_Mass	265.0076608
22338748	Mono_Isotopic_Weight	96.057514874
6438129	Undefined_Atom_Stereo_Count	1
2285	Undefined_Bond_Stereo_Count	0
75421	Undefined_Bond_Stereo_Count	0
20056625	Mono_Isotopic_Weight	427.998507
13587089	Isotope_Atom_Count	0
11083476	Defined_Atom_Stereo_Count	8
54150248	Isotope_Atom_Count	0
12539494	Isotope_Atom_Count	0
453077	Molecular_Weight	220.27
89118	Isotope_Atom_Count	0
4616292	TPSA	89.7
11755113	Undefined_Atom_Stereo_Count	1
5283742	Exact_Mass	416.32904526
5909	Rotatable_Bond_Count	3
154826	Exact_Mass	339.16708015
518964	Exact_Mass	92.9743320
52949613	Undefined_Atom_Stereo_Count	0
1069	Hydrogen_Bond_Acceptor_Count	2
6436126	Covalent_Unit_Count	1
10126081	Exact_Mass	354.18939187
62280	Rotatable_Bond_Count	15
14926651	Undefined_Bond_Stereo_Count	0
69851383	Undefined_Bond_Stereo_Count	1
54169757	Mono_Isotopic_Weight	120.04225873
448051	Hydrogen_Bond_Acceptor_Count	6
60202781	Mono_Isotopic_Weight	700.39751874
5464097	Total_Formal_Charge	0
10198719	Mono_Isotopic_Weight	243.08301860
88314418	Rotatable_Bond_Count	8
11469057	Covalent_Unit_Count	1
12200171	Non-hydrogen_Atom_Count	8
38040	Undefined_Atom_Stereo_Count	0
6956	Defined_Atom_Stereo_Count	0
9819356	XLogP3-AA	4.5
64397633	XLogP3-AA	0.7
72670730	Structure_Complexity	822
107767	Total_Formal_Charge	0
10427712	Molecular_Weight	346.3
25210	Tautomer_Count	3
440141	Undefined_Bond_Stereo_Count	0
123611214	Mono_Isotopic_Weight	112.088815002
102102069	Rotatable_Bond_Count	2
225688	XLogP3-AA	9
29701	Total_Formal_Charge	0
6405709	TPSA	77.8
74319	Structure_Complexity	201
520098	Undefined_Bond_Stereo_Count	0
59087	Non-hydrogen_Atom_Count	22
87186939	Exact_Mass	113.022526347
8252	Tautomer_Count	1
366729	Structure_Complexity	323
6918988	Molecular_Weight	293.29
657	Hydrogen_Bond_Donor_Count	7
25006688	Defined_Bond_Stereo_Count	0
8904	XLogP3-AA	3.7
163427338	Mono_Isotopic_Weight	99.068413911
255680	Molecular_Weight	191.18
2724387	Hydrogen_Bond_Acceptor_Count	6
3845	Undefined_Bond_Stereo_Count	0
10967	Defined_Atom_Stereo_Count	0
22065216	Molecular_Weight	83.05
82148	Undefined_Bond_Stereo_Count	0
20136781	Structure_Complexity	1010
57402652	Undefined_Atom_Stereo_Count	0
7213685	Rotatable_Bond_Count	0
72571	Structure_Complexity	675
12290023	Exact_Mass	116.083729621
3613389	Non-hydrogen_Atom_Count	11
5284623	Defined_Atom_Stereo_Count	7
162059	Rotatable_Bond_Count	0
37114	TPSA	49.7
2100	Defined_Atom_Stereo_Count	0
81650	Defined_Atom_Stereo_Count	0
59811194	TPSA	0
15475284	Molecular_Weight	97.16
8986	Tautomer_Count	1
4858	Non-hydrogen_Atom_Count	22
91415017	Total_Formal_Charge	0
140249	Defined_Bond_Stereo_Count	0
145325785	Undefined_Bond_Stereo_Count	0
629365	Total_Formal_Charge	0
517045	Undefined_Bond_Stereo_Count	0
135413525	Exact_Mass	241.09635999
3062280	Undefined_Bond_Stereo_Count	0
418296	Defined_Atom_Stereo_Count	0
19871	XLogP3-AA	2.2
25072741	Covalent_Unit_Count	1
67268	Defined_Atom_Stereo_Count	0
42104317	Defined_Atom_Stereo_Count	3
84647703	Total_Formal_Charge	0
67437	Non-hydrogen_Atom_Count	11
8330	Hydrogen_Bond_Acceptor_Count	2
71451733	Undefined_Bond_Stereo_Count	0
21681979	Structure_Complexity	143
547935	Covalent_Unit_Count	1
139590517	Defined_Bond_Stereo_Count	0
69173085	Non-hydrogen_Atom_Count	7
57340467	Defined_Bond_Stereo_Count	0
123671885	Covalent_Unit_Count	1
13217239	Defined_Atom_Stereo_Count	0
9956	Exact_Mass	109.063997236
129726370	Hydrogen_Bond_Acceptor_Count	2
78062813	Defined_Atom_Stereo_Count	0
3003141	Defined_Atom_Stereo_Count	1
443366	Total_Formal_Charge	0
32798	TPSA	80.7
88553883	Undefined_Bond_Stereo_Count	0
40326	Rotatable_Bond_Count	7
61143	Total_Formal_Charge	0
58024825	Undefined_Atom_Stereo_Count	0
57515976	Rotatable_Bond_Count	1
87595695	Non-hydrogen_Atom_Count	7
102492967	Non-hydrogen_Atom_Count	30
13691769	XLogP3-AA	1.1
6433208	Covalent_Unit_Count	3
26423	Non-hydrogen_Atom_Count	18
25201614	Defined_Atom_Stereo_Count	0
64107	Structure_Complexity	684
23479	Undefined_Atom_Stereo_Count	1
6954	Hydrogen_Bond_Acceptor_Count	7
11519069	Exact_Mass	507.17729
6993950	Defined_Atom_Stereo_Count	0
44338970	Total_Formal_Charge	0
85610	Rotatable_Bond_Count	1
57346808	Hydrogen_Bond_Donor_Count	11
66573	XLogP3-AA	3.5
5284603	Tautomer_Count	6
197856	Tautomer_Count	15
5287571	Undefined_Bond_Stereo_Count	0
104930	Hydrogen_Bond_Donor_Count	0
89089	Structure_Complexity	325
71776101	Covalent_Unit_Count	1
20639618	TPSA	0
75879	Structure_Complexity	516
443880	Total_Formal_Charge	0
74736	Molecular_Weight	211.26
129664081	Isotope_Atom_Count	0
19370943	Undefined_Atom_Stereo_Count	0
41867	Rotatable_Bond_Count	5
24813	Defined_Atom_Stereo_Count	0
11344211	XLogP3-AA	3.3
16047027	Hydrogen_Bond_Donor_Count	5
3037171	Covalent_Unit_Count	1
548521	Isotope_Atom_Count	0
74995	Rotatable_Bond_Count	0
90235	Exact_Mass	239.0461543
6440459	Mono_Isotopic_Weight	794.36980042
39593	Molecular_Weight	220.31
17845829	Total_Formal_Charge	0
3917956	Structure_Complexity	134
201652	Non-hydrogen_Atom_Count	13
12312963	Undefined_Atom_Stereo_Count	0
83883	Mono_Isotopic_Weight	313.13728131
444254	TPSA	321
77946	Structure_Complexity	25.1
92158	Non-hydrogen_Atom_Count	31
12369	Total_Formal_Charge	0
1736	Hydrogen_Bond_Donor_Count	3
49862460	Covalent_Unit_Count	1
14899645	Isotope_Atom_Count	0
318232	Undefined_Atom_Stereo_Count	0
444795	Covalent_Unit_Count	1
173058	Undefined_Bond_Stereo_Count	0
101589314	Undefined_Atom_Stereo_Count	2
21962760	Structure_Complexity	57.7
86112	Tautomer_Count	1
129866213	Molecular_Weight	500.5
42405	XLogP3-AA	3.8
64762	Molecular_Weight	471.0
59144	Structure_Complexity	207
54411340	Non-hydrogen_Atom_Count	7
90617	Undefined_Atom_Stereo_Count	0
11203271	Covalent_Unit_Count	1
91612119	Mono_Isotopic_Weight	114.068079557
77012	Structure_Complexity	639
22134026	XLogP3-AA	0
12816253	Undefined_Bond_Stereo_Count	0
5367785	Exact_Mass	236.177630004
49426	Covalent_Unit_Count	2
581866	Molecular_Weight	128.56
643798	Non-hydrogen_Atom_Count	9
53320169	Undefined_Atom_Stereo_Count	0
5287565	Rotatable_Bond_Count	0
6957672	Isotope_Atom_Count	0
164106781	TPSA	101
23667300	Undefined_Bond_Stereo_Count	0
12921774	Covalent_Unit_Count	1
3317081	XLogP3-AA	3.2
69828	Exact_Mass	57.057849228
76366	Rotatable_Bond_Count	36
87380	Defined_Bond_Stereo_Count	0
54353190	Covalent_Unit_Count	1
129672477	Hydrogen_Bond_Donor_Count	5
23418	Undefined_Atom_Stereo_Count	0
87060437	XLogP3-AA	5.1
21591456	Non-hydrogen_Atom_Count	16
90817017	Non-hydrogen_Atom_Count	20
54840	TPSA	21.3
446925	Rotatable_Bond_Count	16
100472	Total_Formal_Charge	0
443951	Molecular_Weight	340.5
25181472	Undefined_Bond_Stereo_Count	0
46910264	Defined_Bond_Stereo_Count	0
98423	Defined_Bond_Stereo_Count	0
60105598	Hydrogen_Bond_Donor_Count	5
31370	Mono_Isotopic_Weight	94.0185425
7713	Covalent_Unit_Count	1
129854350	Mono_Isotopic_Weight	110.048012819
57341	Rotatable_Bond_Count	4
44629543	Structure_Complexity	1090
101365708	TPSA	71.5
87458296	Hydrogen_Bond_Donor_Count	0
2215	Hydrogen_Bond_Donor_Count	2
21701560	Undefined_Bond_Stereo_Count	0
13696436	Undefined_Bond_Stereo_Count	0
11310242	XLogP3-AA	5.4
23831	Undefined_Atom_Stereo_Count	0
9296	Undefined_Bond_Stereo_Count	0
3254	Total_Formal_Charge	0
11271730	TPSA	6.2
92839	Total_Formal_Charge	0
16375	Covalent_Unit_Count	1
82326	Molecular_Weight	151.68
54006055	Undefined_Atom_Stereo_Count	0
57558295	Covalent_Unit_Count	1
91746591	Covalent_Unit_Count	1
97982	Non-hydrogen_Atom_Count	15
69982	XLogP3	1.7
146480	Tautomer_Count	5
54326118	Rotatable_Bond_Count	2
604519	Hydrogen_Bond_Acceptor_Count	2
93290	Total_Formal_Charge	0
22060156	Non-hydrogen_Atom_Count	12
14453671	Undefined_Bond_Stereo_Count	0
548282	Isotope_Atom_Count	0
85588	Undefined_Bond_Stereo_Count	0
78759292	Rotatable_Bond_Count	1
46911956	Covalent_Unit_Count	1
5371560	Structure_Complexity	291
65359	Rotatable_Bond_Count	21
78960	Undefined_Bond_Stereo_Count	0
14872190	Exact_Mass	103.063328530
977	TPSA	34.1
71651624	Covalent_Unit_Count	1
706167	Molecular_Weight	325.69
83976	Exact_Mass	908.4471039
61453	Covalent_Unit_Count	1
68157	Structure_Complexity	50.9
135436543	Mono_Isotopic_Weight	204.089877630
21187507	Undefined_Atom_Stereo_Count	0
121893	TPSA	138
8748	Exact_Mass	154.135765193
71080	Exact_Mass	89.047678466
54793	Exact_Mass	283.157228913
6947	Hydrogen_Bond_Acceptor_Count	3
11170931	Hydrogen_Bond_Acceptor_Count	3
19338	XLogP3-AA	2.6
131697803	Isotope_Atom_Count	3
9380	Total_Formal_Charge	0
11377	Defined_Bond_Stereo_Count	0
535480	Rotatable_Bond_Count	2
740525	Covalent_Unit_Count	1
10942338	XLogP3-AA	0.3
216324	Tautomer_Count	1
62583	Defined_Atom_Stereo_Count	0
24865999	Undefined_Atom_Stereo_Count	0
33802	TPSA	0
16665	Structure_Complexity	48
2734249	Isotope_Atom_Count	0
99894	Hydrogen_Bond_Donor_Count	1
712967	Mono_Isotopic_Weight	331.08782920
12959090	Hydrogen_Bond_Acceptor_Count	2
73158666	Structure_Complexity	89.9
17110	Mono_Isotopic_Weight	287.25727730
147912	XLogP3	4.6
30065	Mono_Isotopic_Weight	261.172878976
91768	Hydrogen_Bond_Acceptor_Count	8
395450	Mono_Isotopic_Weight	397.14492710
9324	Hydrogen_Bond_Acceptor_Count	4
11126189	Exact_Mass	100.052429494
10942338	Non-hydrogen_Atom_Count	6
91711338	Total_Formal_Charge	0
55288485	Non-hydrogen_Atom_Count	8
71403949	Undefined_Atom_Stereo_Count	0
138403272	Rotatable_Bond_Count	3
56842037	Total_Formal_Charge	0
49863420	Exact_Mass	667.18292334
6561	Hydrogen_Bond_Acceptor_Count	1
451188	Non-hydrogen_Atom_Count	12
139585999	TPSA	115
69732358	Mono_Isotopic_Weight	100.100048391
64709	Undefined_Bond_Stereo_Count	0
408763	Defined_Bond_Stereo_Count	0
5056	XLogP3-AA	3.1
5361848	XLogP3	0
181138	Exact_Mass	186.115698455
23725063	Defined_Bond_Stereo_Count	0
54455096	Exact_Mass	116.083729621
16683978	Hydrogen_Bond_Acceptor_Count	4
23394	Undefined_Bond_Stereo_Count	0
12298391	Defined_Atom_Stereo_Count	0
17038	Isotope_Atom_Count	0
998021	TPSA	125
71411033	Exact_Mass	97.052763847
4206	Rotatable_Bond_Count	13
89453139	Molecular_Weight	110.11
13144653	Defined_Bond_Stereo_Count	0
76223836	Hydrogen_Bond_Acceptor_Count	2
18952320	Structure_Complexity	74.1
171227	Undefined_Atom_Stereo_Count	0
18384	TPSA	46.5
88598	Total_Formal_Charge	0
44377662	Isotope_Atom_Count	0
44591583	Total_Formal_Charge	0
978	TPSA	63.3
3032285	Defined_Atom_Stereo_Count	0
123935295	Defined_Bond_Stereo_Count	0
38081	Covalent_Unit_Count	1
44563145	Mono_Isotopic_Weight	382.19173754
14425	Non-hydrogen_Atom_Count	24
173	Exact_Mass	187.12084340
246724	Total_Formal_Charge	0
577022	Hydrogen_Bond_Donor_Count	1
9877306	Defined_Atom_Stereo_Count	14
10953450	Rotatable_Bond_Count	2
11457680	Exact_Mass	115.063328530
76305	Structure_Complexity	171
34676239	Defined_Atom_Stereo_Count	1
23680486	Rotatable_Bond_Count	7
54401118	Mono_Isotopic_Weight	82.053098200
11554216	Hydrogen_Bond_Acceptor_Count	5
23983765	Rotatable_Bond_Count	4
133136	Structure_Complexity	721
71584166	TPSA	107
38963	Mono_Isotopic_Weight	392.1502850
53316380	TPSA	61.6
38359009	Covalent_Unit_Count	1
13195064	Rotatable_Bond_Count	0
54755438	XLogP3-AA	3
6850744	Covalent_Unit_Count	1
129539	Structure_Complexity	412
14118154	Defined_Atom_Stereo_Count	0
580057	Isotope_Atom_Count	0
56840781	Hydrogen_Bond_Acceptor_Count	8
65898	Total_Formal_Charge	0
58375	Exact_Mass	301.16779360
91742	Covalent_Unit_Count	1
105426996	Structure_Complexity	134
80507	Hydrogen_Bond_Acceptor_Count	3
1578	Hydrogen_Bond_Acceptor_Count	1
15595455	Isotope_Atom_Count	0
6435808	Rotatable_Bond_Count	2
53323075	Structure_Complexity	838
12580	Mono_Isotopic_Weight	136.088815002
23255624	Defined_Atom_Stereo_Count	3
53643041	Non-hydrogen_Atom_Count	8
37983	Exact_Mass	191.131014166
57536767	Isotope_Atom_Count	0
91825716	Defined_Atom_Stereo_Count	1
3791919	Defined_Atom_Stereo_Count	0
54362	Total_Formal_Charge	0
18048	Total_Formal_Charge	0
71720685	Hydrogen_Bond_Acceptor_Count	11
2465	Hydrogen_Bond_Donor_Count	2
56330	Mono_Isotopic_Weight	417.22637110
143565	Rotatable_Bond_Count	1
580328	Mono_Isotopic_Weight	481.98464049
69948495	Defined_Atom_Stereo_Count	0
281888	Tautomer_Count	1
62662	Hydrogen_Bond_Acceptor_Count	11
67172	Hydrogen_Bond_Acceptor_Count	5
143466591	Defined_Atom_Stereo_Count	0
10132	Undefined_Bond_Stereo_Count	0
70119	Mono_Isotopic_Weight	185.96803
77982	Defined_Bond_Stereo_Count	0
156617908	Non-hydrogen_Atom_Count	23
537396	XLogP3-AA	0
59713	Exact_Mass	332.225248902
57392006	XLogP3-AA	3.3
29455	Hydrogen_Bond_Acceptor_Count	1
9832383	Non-hydrogen_Atom_Count	34
81485	TPSA	99.9
69558	Defined_Bond_Stereo_Count	0
12546243	Undefined_Atom_Stereo_Count	0
66726	Undefined_Bond_Stereo_Count	0
6956	Hydrogen_Bond_Acceptor_Count	2
3712	Non-hydrogen_Atom_Count	11
3938668	Non-hydrogen_Atom_Count	21
203433	Exact_Mass	281.06228316
9561131	Molecular_Weight	170.18
9661	Structure_Complexity	233
12341793	Structure_Complexity	365
34624	Undefined_Atom_Stereo_Count	0
12755803	Structure_Complexity	85.6
131954609	XLogP3-AA	5.1
9799942	Total_Formal_Charge	0
22181555	Defined_Atom_Stereo_Count	0
17273	Undefined_Atom_Stereo_Count	4
18861	Tautomer_Count	1
71795	Undefined_Bond_Stereo_Count	0
9571009	Exact_Mass	222.06742811
25254	Non-hydrogen_Atom_Count	6
18955278	TPSA	21.6
70789202	Covalent_Unit_Count	1
22274879	Structure_Complexity	104
1151	Isotope_Atom_Count	0
11974213	Isotope_Atom_Count	0
16131923	Undefined_Atom_Stereo_Count	0
5388992	Isotope_Atom_Count	0
967126	Undefined_Atom_Stereo_Count	0
23585071	Undefined_Bond_Stereo_Count	0
18851	Defined_Atom_Stereo_Count	0
61664	Molecular_Weight	116.18
76220109	Rotatable_Bond_Count	1
13135	Total_Formal_Charge	0
60606	TPSA	57.8
13140	Covalent_Unit_Count	1
143122	Hydrogen_Bond_Acceptor_Count	0
31448	Rotatable_Bond_Count	1
38282	Rotatable_Bond_Count	1
49869173	Undefined_Bond_Stereo_Count	0
12837	Structure_Complexity	185
85663349	Hydrogen_Bond_Acceptor_Count	1
94204	Molecular_Weight	440.7
9868580	Tautomer_Count	2
90472770	Total_Formal_Charge	0
23576	Non-hydrogen_Atom_Count	26
53373584	Hydrogen_Bond_Acceptor_Count	10
143811683	Defined_Atom_Stereo_Count	0
10217663	Molecular_Weight	491.6
21466713	Hydrogen_Bond_Donor_Count	1
282471	Isotope_Atom_Count	0
10288	Hydrogen_Bond_Acceptor_Count	3
123535886	Defined_Atom_Stereo_Count	0
410214	Structure_Complexity	443
101348253	Undefined_Bond_Stereo_Count	0
5464167	Structure_Complexity	27.1
21651	Hydrogen_Bond_Acceptor_Count	6
3894	Hydrogen_Bond_Acceptor_Count	7
78073889	Non-hydrogen_Atom_Count	88
8063338	Mono_Isotopic_Weight	115.026943022
12385939	Non-hydrogen_Atom_Count	8
449085	Tautomer_Count	1
69676	XLogP3	2.9
6850813	Total_Formal_Charge	0
9861	Rotatable_Bond_Count	17
3236	Mono_Isotopic_Weight	259.193614421
16125	Mono_Isotopic_Weight	175.9795702
83826166	Defined_Atom_Stereo_Count	0
14454747	Non-hydrogen_Atom_Count	7
398514	Covalent_Unit_Count	1
57393918	Exact_Mass	389.9996542
12387212	Covalent_Unit_Count	1
25271829	Undefined_Bond_Stereo_Count	0
8372	Undefined_Bond_Stereo_Count	0
12868192	XLogP3-AA	0.9
18719616	Covalent_Unit_Count	1
82736	Undefined_Bond_Stereo_Count	0
6973664	Undefined_Bond_Stereo_Count	0
22978371	Mono_Isotopic_Weight	109.052763847
55288256	Rotatable_Bond_Count	0
44237243	Exact_Mass	317.06612775
66636	Total_Formal_Charge	0
38034	Non-hydrogen_Atom_Count	15
5440	Structure_Complexity	455
23695767	Covalent_Unit_Count	2
738	Non-hydrogen_Atom_Count	10
20751579	Exact_Mass	472.25331412
12187	Hydrogen_Bond_Acceptor_Count	1
47670	Isotope_Atom_Count	0
21720414	Defined_Bond_Stereo_Count	0
23552426	TPSA	38.9
5865	Tautomer_Count	27
90495	Defined_Bond_Stereo_Count	0
115157	Defined_Bond_Stereo_Count	0
6346	Undefined_Bond_Stereo_Count	0
2689	Rotatable_Bond_Count	1
13388323	Exact_Mass	112.03851076
21896450	TPSA	50.1
2723719	Exact_Mass	665.30474055
46240	Tautomer_Count	1
2723951	Undefined_Bond_Stereo_Count	0
22731481	Molecular_Weight	118.10
5521	Total_Formal_Charge	0
11980076	Non-hydrogen_Atom_Count	89
3035406	Non-hydrogen_Atom_Count	77
30291	TPSA	55.6
82084	Hydrogen_Bond_Acceptor_Count	5
7750	Structure_Complexity	76.1
16050641	Hydrogen_Bond_Acceptor_Count	4
24822371	Exact_Mass	359.187455
10964334	Defined_Atom_Stereo_Count	30
12354987	Defined_Bond_Stereo_Count	0
52946966	Defined_Bond_Stereo_Count	0
10527347	Molecular_Weight	446.4
491022	Non-hydrogen_Atom_Count	37
16695	Hydrogen_Bond_Acceptor_Count	0
122767	Mono_Isotopic_Weight	287.07834094
613144	Rotatable_Bond_Count	2
123854	Hydrogen_Bond_Acceptor_Count	14
11815279	Rotatable_Bond_Count	2
91538	Rotatable_Bond_Count	1
117072582	Undefined_Atom_Stereo_Count	1
53346491	Rotatable_Bond_Count	5
694876	Hydrogen_Bond_Donor_Count	0
8961	Tautomer_Count	6
102102069	Exact_Mass	577.80232
6918222	Undefined_Atom_Stereo_Count	0
9556529	Defined_Atom_Stereo_Count	0
160647	Rotatable_Bond_Count	8
4095	Defined_Bond_Stereo_Count	0
11977	Non-hydrogen_Atom_Count	10
123716071	Exact_Mass	110.073164938
557502	Hydrogen_Bond_Donor_Count	1
2098	Defined_Atom_Stereo_Count	0
463694	Defined_Bond_Stereo_Count	0
522596	Undefined_Atom_Stereo_Count	0
20693488	XLogP3-AA	0.6
21218	Defined_Atom_Stereo_Count	0
94777	Exact_Mass	257.10519334
170214	Non-hydrogen_Atom_Count	12
20666035	TPSA	34.1
558546	XLogP3-AA	0.6
68858	Exact_Mass	277.146664230
579	TPSA	209
123840004	Hydrogen_Bond_Acceptor_Count	0
10131134	Defined_Bond_Stereo_Count	0
53932862	TPSA	17.1
88305	Hydrogen_Bond_Donor_Count	4
138527	Isotope_Atom_Count	0
84975	Structure_Complexity	40.2
5424	Covalent_Unit_Count	1
15204529	Hydrogen_Bond_Acceptor_Count	1
59325013	Structure_Complexity	88.1
73078	Rotatable_Bond_Count	4
71335300	Hydrogen_Bond_Donor_Count	0
444008	Exact_Mass	312.208930132
14222	Defined_Atom_Stereo_Count	0
68783	Isotope_Atom_Count	0
446871	Structure_Complexity	900
11542	Exact_Mass	100.125200510
11521070	Undefined_Bond_Stereo_Count	0
5281167	Total_Formal_Charge	0
129848458	Covalent_Unit_Count	1
16682930	Hydrogen_Bond_Donor_Count	0
20912	Defined_Bond_Stereo_Count	0
153974	Hydrogen_Bond_Acceptor_Count	5
154517172	XLogP3-AA	1
107977	Isotope_Atom_Count	0
10076625	Hydrogen_Bond_Donor_Count	2
4283516	Tautomer_Count	1
6736	Defined_Atom_Stereo_Count	0
5745	Molecular_Weight	402.5
22178543	Covalent_Unit_Count	1
1524	Defined_Bond_Stereo_Count	0
13730	Isotope_Atom_Count	0
96421	Total_Formal_Charge	0
59059060	Defined_Atom_Stereo_Count	0
667448	Structure_Complexity	457
6814	Structure_Complexity	318
54587226	Molecular_Weight	366.4
16404350	Structure_Complexity	2330
123840	Isotope_Atom_Count	0
30997	Exact_Mass	203.131014166
72014	XLogP3	0.9
968645	Undefined_Atom_Stereo_Count	0
107917	Undefined_Bond_Stereo_Count	0
398743	TPSA	9.7
339496	Mono_Isotopic_Weight	279.92326
53465	Undefined_Atom_Stereo_Count	0
14781907	Mono_Isotopic_Weight	101.084063974
320930	Total_Formal_Charge	0
12856218	Isotope_Atom_Count	0
20132002	Mono_Isotopic_Weight	82.053098200
12735	Undefined_Bond_Stereo_Count	0
93286	Defined_Bond_Stereo_Count	0
23680396	Non-hydrogen_Atom_Count	38
14298876	Covalent_Unit_Count	1
42884	Exact_Mass	370.1811912
33919	Structure_Complexity	414
443495	Undefined_Atom_Stereo_Count	0
121755	Non-hydrogen_Atom_Count	7
134854766	Rotatable_Bond_Count	0
59221	Hydrogen_Bond_Acceptor_Count	1
14678666	XLogP3-AA	0
551778	Structure_Complexity	67.9
11655939	Covalent_Unit_Count	1
819440	Structure_Complexity	76.8
18944758	Hydrogen_Bond_Acceptor_Count	6
165637859	Molecular_Weight	112.13
129491	Non-hydrogen_Atom_Count	36
6427770	XLogP3-AA	2.8
53475321	Structure_Complexity	645
65171	Exact_Mass	247.123523487
7540	Defined_Bond_Stereo_Count	0
140473289	Molecular_Weight	1202.6
21145806	Total_Formal_Charge	0
74031	Non-hydrogen_Atom_Count	12
13374861	Undefined_Bond_Stereo_Count	0
14322	Hydrogen_Bond_Donor_Count	1
550030	Non-hydrogen_Atom_Count	10
2437245	Isotope_Atom_Count	0
5353593	Undefined_Atom_Stereo_Count	0
6002001	Non-hydrogen_Atom_Count	31
25070195	TPSA	67.9
3034828	Hydrogen_Bond_Donor_Count	9
304	Hydrogen_Bond_Acceptor_Count	1
54682651	Hydrogen_Bond_Donor_Count	1
735833	Exact_Mass	166.04300762
24006	Structure_Complexity	70.8
9938	Molecular_Weight	130.19
25386	Defined_Bond_Stereo_Count	0
23567810	Non-hydrogen_Atom_Count	8
58550597	Total_Formal_Charge	0
7940	Hydrogen_Bond_Acceptor_Count	3
84567	Defined_Bond_Stereo_Count	0
13138	Total_Formal_Charge	0
6917974	Undefined_Bond_Stereo_Count	0
92768	Defined_Atom_Stereo_Count	0
12509714	Non-hydrogen_Atom_Count	7
87704774	Molecular_Weight	219.67
86015488	Non-hydrogen_Atom_Count	8
9116	Defined_Atom_Stereo_Count	0
5249080	Structure_Complexity	124
15016062	Exact_Mass	278.14528450
42928	Undefined_Bond_Stereo_Count	1
264891	Rotatable_Bond_Count	11
228490	TPSA	58.9
10378	Structure_Complexity	185
18997160	Undefined_Bond_Stereo_Count	0
74038637	Hydrogen_Bond_Donor_Count	2
439	Non-hydrogen_Atom_Count	12
16049769	TPSA	110
11029889	Undefined_Bond_Stereo_Count	0
7265	Hydrogen_Bond_Acceptor_Count	2
23665731	Hydrogen_Bond_Donor_Count	1
6433427	Non-hydrogen_Atom_Count	19
447202	Non-hydrogen_Atom_Count	55
6257	Rotatable_Bond_Count	4
7549	XLogP3-AA	0.3
5230726	Mono_Isotopic_Weight	264.175224706
4132186	XLogP3-AA	3.2
13961743	Defined_Bond_Stereo_Count	0
58775800	XLogP3-AA	0.1
193991	Exact_Mass	318.11906976
5489120	Hydrogen_Bond_Acceptor_Count	5
45008	Isotope_Atom_Count	0
2777083	Molecular_Weight	126.08
69251960	Molecular_Weight	112.09
5603	Molecular_Weight	115.22
160753	Rotatable_Bond_Count	0
9949802	Exact_Mass	339.27734404
5487426	Undefined_Atom_Stereo_Count	0
65975	XLogP3-AA	2
4386	Defined_Bond_Stereo_Count	0
30295	Structure_Complexity	219
89532783	Hydrogen_Bond_Acceptor_Count	3
53762327	Defined_Bond_Stereo_Count	0
56672294	Defined_Atom_Stereo_Count	0
11723971	Undefined_Atom_Stereo_Count	0
3638	Isotope_Atom_Count	0
567	Exact_Mass	279.009769
23283113	Undefined_Bond_Stereo_Count	0
47955	Total_Formal_Charge	0
75355757	TPSA	33
44560574	Defined_Atom_Stereo_Count	1
2762863	Molecular_Weight	111.12
13472	Defined_Bond_Stereo_Count	0
5311051	Undefined_Bond_Stereo_Count	0
48640	Covalent_Unit_Count	3
17531	Undefined_Atom_Stereo_Count	0
66095	Exact_Mass	180.115029749
43220	Structure_Complexity	1020
123462301	Mono_Isotopic_Weight	86.084398327
24849168	Exact_Mass	316.14230712
7041	Structure_Complexity	104
11641	Hydrogen_Bond_Acceptor_Count	0
12347357	Structure_Complexity	98.7
5282165	Structure_Complexity	1390
6347	Hydrogen_Bond_Acceptor_Count	2
11908488	TPSA	190
54544621	Non-hydrogen_Atom_Count	8
2131	Exact_Mass	536.2684820
128600	Defined_Bond_Stereo_Count	0
2540	Hydrogen_Bond_Donor_Count	1
21753162	Non-hydrogen_Atom_Count	8
540327	Structure_Complexity	415
104955	Non-hydrogen_Atom_Count	28
118596336	Non-hydrogen_Atom_Count	37
6713428	Hydrogen_Bond_Acceptor_Count	2
53462828	Structure_Complexity	822
11499204	Undefined_Bond_Stereo_Count	0
5020	Undefined_Bond_Stereo_Count	0
1268252	Undefined_Bond_Stereo_Count	0
16051942	Covalent_Unit_Count	1
545963	Isotope_Atom_Count	0
53774272	Hydrogen_Bond_Acceptor_Count	1
135398515	Hydrogen_Bond_Donor_Count	1
2822	Isotope_Atom_Count	0
12614	Defined_Atom_Stereo_Count	0
6502	Mono_Isotopic_Weight	120.078644241
11347670	Undefined_Bond_Stereo_Count	0
29396	Hydrogen_Bond_Donor_Count	2
84896	Undefined_Atom_Stereo_Count	0
542158	Isotope_Atom_Count	0
5898	Structure_Complexity	354
12260	Undefined_Bond_Stereo_Count	0
11539725	Isotope_Atom_Count	0
20623556	Defined_Bond_Stereo_Count	0
137635	Tautomer_Count	3
15269993	TPSA	40.4
3791919	Hydrogen_Bond_Acceptor_Count	2
62946	Hydrogen_Bond_Donor_Count	2
5317	Covalent_Unit_Count	1
5743	Hydrogen_Bond_Acceptor_Count	6
62477	Mono_Isotopic_Weight	130.099379685
129016768	Total_Formal_Charge	0
667	Molecular_Weight	866.9
80690	Tautomer_Count	16
57928403	XLogP3-AA	1.9
5388879	Mono_Isotopic_Weight	158.845156
24875236	Exact_Mass	363.14839556
60196331	Exact_Mass	309.01312
20111961	Defined_Atom_Stereo_Count	0
4369502	Defined_Atom_Stereo_Count	1
135436537	Molecular_Weight	431.4
136498	XLogP3-AA	2
134826475	Isotope_Atom_Count	0
164512	TPSA	51.2
16214946	XLogP3-AA	4.5
162918376	XLogP3-AA	7.5
12343986	Covalent_Unit_Count	1
18645875	Isotope_Atom_Count	0
11023	Structure_Complexity	211
398517	TPSA	100
59154995	Structure_Complexity	107
90532	Covalent_Unit_Count	1
285	Undefined_Atom_Stereo_Count	0
67569543	Covalent_Unit_Count	1
5347	Isotope_Atom_Count	0
89602862	Mono_Isotopic_Weight	113.011292958
9840517	Defined_Atom_Stereo_Count	1
1549065	Hydrogen_Bond_Donor_Count	1
87161809	Hydrogen_Bond_Donor_Count	1
4753	XLogP3	0.9
22717351	Structure_Complexity	72.1
443391	Exact_Mass	428.14601035
45923684	Exact_Mass	112.074896272
701498	Undefined_Bond_Stereo_Count	0
4118151	TPSA	59.2
4369445	Hydrogen_Bond_Acceptor_Count	12
113342	XLogP3-AA	1
17963226	Covalent_Unit_Count	1
9136	Tautomer_Count	1
71360	XLogP3-AA	4.1
63198	Non-hydrogen_Atom_Count	19
53415109	Undefined_Bond_Stereo_Count	1
86453	Total_Formal_Charge	0
64185	Non-hydrogen_Atom_Count	17
5462310	Undefined_Atom_Stereo_Count	0
11949689	Tautomer_Count	1
799432	Molecular_Weight	283.77
141959525	Molecular_Weight	97.16
97368	Exact_Mass	147.05315777
39709	Defined_Bond_Stereo_Count	0
48918	Molecular_Weight	269.34
44073	Structure_Complexity	484
27307547	Hydrogen_Bond_Donor_Count	0
54372438	Molecular_Weight	100.12
5289159	Mono_Isotopic_Weight	305.13237409
8160	Covalent_Unit_Count	1
25010556	Defined_Bond_Stereo_Count	0
10090285	Covalent_Unit_Count	1
89629295	Total_Formal_Charge	0
73984	Molecular_Weight	104.11
91945062	Isotope_Atom_Count	0
86278368	Exact_Mass	790.20636393
11497836	Defined_Bond_Stereo_Count	0
610161	Defined_Atom_Stereo_Count	0
2117002	Rotatable_Bond_Count	5
71167	Hydrogen_Bond_Acceptor_Count	1
6915732	Hydrogen_Bond_Donor_Count	5
110789	TPSA	20.2
82153	Undefined_Bond_Stereo_Count	0
86295	Hydrogen_Bond_Acceptor_Count	11
183811	TPSA	138
130802	Non-hydrogen_Atom_Count	13
8217	Hydrogen_Bond_Acceptor_Count	0
256019	Non-hydrogen_Atom_Count	14
91688	XLogP3-AA	5.1
65327	Mono_Isotopic_Weight	302.1549764
17880	Isotope_Atom_Count	0
3037082	XLogP3	3.1
68986097	Mono_Isotopic_Weight	766.33349644
138005	Non-hydrogen_Atom_Count	17
122706529	Hydrogen_Bond_Donor_Count	6
76415	Isotope_Atom_Count	0
38464	Undefined_Bond_Stereo_Count	0
688015	Total_Formal_Charge	0
54889	Defined_Atom_Stereo_Count	3
1117	Non-hydrogen_Atom_Count	5
24827	Rotatable_Bond_Count	4
25079036	TPSA	512
62209	Structure_Complexity	152
12059918	TPSA	0
10877051	Covalent_Unit_Count	1
56928061	TPSA	272
3790985	Total_Formal_Charge	0
7005019	Covalent_Unit_Count	1
70695665	Structure_Complexity	432
8495	Defined_Atom_Stereo_Count	0
80395	Undefined_Atom_Stereo_Count	0
40549	Rotatable_Bond_Count	0
11151622	Covalent_Unit_Count	1
9820186	Structure_Complexity	484
2562	Exact_Mass	333.23039385
56841556	Undefined_Atom_Stereo_Count	0
12268621	Isotope_Atom_Count	0
5356	Undefined_Atom_Stereo_Count	0
21675743	Exact_Mass	100.100048391
10597	Undefined_Bond_Stereo_Count	0
65345	Defined_Atom_Stereo_Count	9
91410	Defined_Bond_Stereo_Count	0
135950975	Isotope_Atom_Count	0
76224067	Total_Formal_Charge	0
62823	TPSA	55
600269	Exact_Mass	175.04557046
127928	Total_Formal_Charge	0
53432	TPSA	15.6
535805	Defined_Atom_Stereo_Count	0
54555	TPSA	29.5
13097	Molecular_Weight	278.3
93301	Undefined_Bond_Stereo_Count	0
102171995	Exact_Mass	312.162648646
123934238	Hydrogen_Bond_Donor_Count	1
56963011	Mono_Isotopic_Weight	608.18345
186148	Rotatable_Bond_Count	0
124159	Defined_Atom_Stereo_Count	0
44571147	XLogP3-AA	3.4
6436003	Exact_Mass	466.21555225
22530	Undefined_Atom_Stereo_Count	0
68713	Molecular_Weight	255.31
13664	TPSA	15.8
23674889	Hydrogen_Bond_Acceptor_Count	3
54682541	Exact_Mass	1024.3123164
71357440	Defined_Atom_Stereo_Count	0
442	TPSA	182
12372	Total_Formal_Charge	0
8752	Mono_Isotopic_Weight	396.0701697
5284610	Mono_Isotopic_Weight	1084.47265329
21954793	Defined_Bond_Stereo_Count	0
446400	XLogP3-AA	6.8
68760	Non-hydrogen_Atom_Count	20
135410916	Isotope_Atom_Count	0
102109	Hydrogen_Bond_Acceptor_Count	1
2734224	Tautomer_Count	1
16414	Mono_Isotopic_Weight	334.0906621
95864	Undefined_Bond_Stereo_Count	0
107971	Hydrogen_Bond_Donor_Count	5
72307	Undefined_Atom_Stereo_Count	0
135659024	Total_Formal_Charge	0
19928	Molecular_Weight	144.55
115163	Undefined_Bond_Stereo_Count	0
71474517	Structure_Complexity	1840
12674607	Molecular_Weight	85.15
129316724	XLogP3	2.9
43899	Mono_Isotopic_Weight	626.15537
1241420	Defined_Bond_Stereo_Count	0
22602664	Defined_Bond_Stereo_Count	0
27447	XLogP3	0.6
9883002	Covalent_Unit_Count	1
69429	TPSA	59.8
14342	Undefined_Bond_Stereo_Count	0
135509147	TPSA	248
58391580	XLogP3-AA	0.7
49937	XLogP3-AA	1.4
7528	Hydrogen_Bond_Donor_Count	1
3673	Hydrogen_Bond_Donor_Count	0
7408	Isotope_Atom_Count	0
267493	Hydrogen_Bond_Donor_Count	1
94215	Undefined_Atom_Stereo_Count	1
442070	Rotatable_Bond_Count	1
6787	Covalent_Unit_Count	1
87439	Total_Formal_Charge	0
12295224	Mono_Isotopic_Weight	112.063662883
53896476	Defined_Bond_Stereo_Count	0
66646	Tautomer_Count	4
26248	Total_Formal_Charge	0
291	Total_Formal_Charge	1
156618026	Structure_Complexity	382
2933256	Exact_Mass	303.1389920
202877	Exact_Mass	256.0240655
637146	Rotatable_Bond_Count	1
102090390	Undefined_Bond_Stereo_Count	0
102518	Hydrogen_Bond_Donor_Count	2
133169	Structure_Complexity	155
53385579	Defined_Atom_Stereo_Count	4
5071	Undefined_Atom_Stereo_Count	1
71027	Molecular_Weight	208.25
16760328	Hydrogen_Bond_Donor_Count	4
67989199	Defined_Bond_Stereo_Count	0
20192394	Hydrogen_Bond_Acceptor_Count	3
13756235	Exact_Mass	83.073499291
24802025	Hydrogen_Bond_Acceptor_Count	11
54739048	Total_Formal_Charge	0
84393	TPSA	25.3
2225	Rotatable_Bond_Count	7
25201794	Isotope_Atom_Count	0
44457029	TPSA	73.2
133667882	Isotope_Atom_Count	0
45116616	TPSA	46.2
44339135	Hydrogen_Bond_Donor_Count	4
39860873	Isotope_Atom_Count	0
179338	Isotope_Atom_Count	0
20259185	Rotatable_Bond_Count	0
131966078	Covalent_Unit_Count	1
6331	Non-hydrogen_Atom_Count	1
11550	Defined_Bond_Stereo_Count	0
148123	Structure_Complexity	1660
3345	Structure_Complexity	391
13235324	Non-hydrogen_Atom_Count	8
124040753	XLogP3	1.4
665263	Defined_Bond_Stereo_Count	0
11434927	Non-hydrogen_Atom_Count	8
46244453	Molecular_Weight	412.5
318232	Isotope_Atom_Count	0
6005	Defined_Bond_Stereo_Count	0
20220682	Exact_Mass	116.083729621
55298701	Hydrogen_Bond_Acceptor_Count	2
6539039	Undefined_Bond_Stereo_Count	0
156432753	Isotope_Atom_Count	0
87962	Isotope_Atom_Count	0
66384	Structure_Complexity	376
55285	XLogP3-AA	4.9
136875	XLogP3-AA	0.7
136504	Structure_Complexity	50
102019	Tautomer_Count	2
3034047	Defined_Atom_Stereo_Count	2
18759351	Undefined_Bond_Stereo_Count	0
62453	Isotope_Atom_Count	0
75606	TPSA	66.4
6441265	Tautomer_Count	1001
2733178	Total_Formal_Charge	0
90243427	Molecular_Weight	101.15
7321	Total_Formal_Charge	0
61124202	Total_Formal_Charge	0
86278165	Isotope_Atom_Count	0
53436961	TPSA	0
71434160	Structure_Complexity	688
16211214	Defined_Bond_Stereo_Count	0
76964236	Exact_Mass	628.13394
53846435	Covalent_Unit_Count	1
557495	Non-hydrogen_Atom_Count	7
76714	XLogP3-AA	1
24823	Hydrogen_Bond_Donor_Count	0
147004	Defined_Atom_Stereo_Count	1
5413034	Non-hydrogen_Atom_Count	19
2309	Hydrogen_Bond_Acceptor_Count	5
59202444	Undefined_Bond_Stereo_Count	0
75081	Hydrogen_Bond_Donor_Count	0
58391580	Exact_Mass	315.19467705
445723	Total_Formal_Charge	0
7950	Hydrogen_Bond_Acceptor_Count	0
46203139	Isotope_Atom_Count	0
28031	Defined_Bond_Stereo_Count	0
1382043	Total_Formal_Charge	0
481709	Exact_Mass	300.0739936
2737121	Undefined_Atom_Stereo_Count	0
66697936	Rotatable_Bond_Count	0
24820357	Undefined_Bond_Stereo_Count	0
31369	Undefined_Atom_Stereo_Count	0
3681305	TPSA	83.4
58781694	Defined_Bond_Stereo_Count	0
70693548	Total_Formal_Charge	0
400916	TPSA	29.8
78160	Rotatable_Bond_Count	5
13388323	Defined_Atom_Stereo_Count	0
6857536	Undefined_Atom_Stereo_Count	1
70769	TPSA	17.8
152413	Tautomer_Count	27
91756	Structure_Complexity	641
53627566	Structure_Complexity	29.8
5114908	Hydrogen_Bond_Acceptor_Count	1
24978514	TPSA	164
20493118	Undefined_Atom_Stereo_Count	2
1999	Defined_Atom_Stereo_Count	0
53464	Undefined_Atom_Stereo_Count	0
8046	Mono_Isotopic_Weight	314.24570956
70933	Defined_Bond_Stereo_Count	0
247573	Defined_Atom_Stereo_Count	3
9708	Covalent_Unit_Count	1
5827	Defined_Atom_Stereo_Count	0
81133	Undefined_Bond_Stereo_Count	0
54561872	Molecular_Weight	95.14
2687	Undefined_Atom_Stereo_Count	1
17882607	XLogP3-AA	0.6
3033871	Undefined_Bond_Stereo_Count	0
12048	Rotatable_Bond_Count	3
57394708	Structure_Complexity	746
92897	Tautomer_Count	1
122361528	Structure_Complexity	1830
73030065	Total_Formal_Charge	0
2471	Mono_Isotopic_Weight	364.10929292
46853654	Exact_Mass	516.19033720
71777654	Undefined_Bond_Stereo_Count	0
3037918	Hydrogen_Bond_Acceptor_Count	1
107767	Mono_Isotopic_Weight	666.44718533
24865999	Isotope_Atom_Count	0
9970749	Total_Formal_Charge	0
703047	Undefined_Atom_Stereo_Count	0
1335	Tautomer_Count	1
356	Molecular_Weight	114.23
8060	Non-hydrogen_Atom_Count	6
15702065	Exact_Mass	114.068079557
13772685	Covalent_Unit_Count	1
51402807	Exact_Mass	464.09547607
54267	Hydrogen_Bond_Donor_Count	0
67258371	Isotope_Atom_Count	0
12268621	Undefined_Bond_Stereo_Count	0
54110642	Total_Formal_Charge	0
44125988	Rotatable_Bond_Count	5
4554	Mono_Isotopic_Weight	317.93445
50989726	Rotatable_Bond_Count	0
4516	Isotope_Atom_Count	0
70689351	Tautomer_Count	9
9472	Rotatable_Bond_Count	9
29124	Total_Formal_Charge	0
133662562	Structure_Complexity	151
6431771	Hydrogen_Bond_Donor_Count	3
53595	Hydrogen_Bond_Donor_Count	2
5978	Structure_Complexity	1750
146159661	TPSA	23.5
93833	Exact_Mass	515.72168
12315159	Molecular_Weight	152.23
88440820	Non-hydrogen_Atom_Count	7
347476	Covalent_Unit_Count	1
43116	Hydrogen_Bond_Acceptor_Count	14
3440	Undefined_Bond_Stereo_Count	0
166796	Structure_Complexity	596
653145	Isotope_Atom_Count	0
21162821	Undefined_Bond_Stereo_Count	0
216325	Hydrogen_Bond_Donor_Count	2
33755	Defined_Bond_Stereo_Count	0
129814671	Total_Formal_Charge	0
71397	Hydrogen_Bond_Acceptor_Count	1
447626	Covalent_Unit_Count	2
5275508	Non-hydrogen_Atom_Count	18
2583694	Rotatable_Bond_Count	4
90488794	Undefined_Bond_Stereo_Count	0
15877745	Total_Formal_Charge	0
95497	Non-hydrogen_Atom_Count	7
11567	Hydrogen_Bond_Acceptor_Count	1
1899	Undefined_Bond_Stereo_Count	0
135977933	Undefined_Bond_Stereo_Count	0
736351	Non-hydrogen_Atom_Count	17
60165517	Mono_Isotopic_Weight	314.12644076
423072	Isotope_Atom_Count	0
9548720	Covalent_Unit_Count	1
10047003	Hydrogen_Bond_Donor_Count	1
16211333	Isotope_Atom_Count	0
10173280	Defined_Atom_Stereo_Count	0
9962911	Mono_Isotopic_Weight	908.38775915
31573	Covalent_Unit_Count	1
74152	Defined_Bond_Stereo_Count	0
439846	Exact_Mass	76.052429494
73675	Rotatable_Bond_Count	4
17825297	Mono_Isotopic_Weight	110.109550447
1016	Hydrogen_Bond_Acceptor_Count	7
65478	Hydrogen_Bond_Acceptor_Count	9
3636	Isotope_Atom_Count	0
50192	Defined_Atom_Stereo_Count	10
8194	Defined_Bond_Stereo_Count	0
71450704	XLogP3-AA	2
11264371	TPSA	103
9871092	Mono_Isotopic_Weight	513.00175130
34624	Mono_Isotopic_Weight	295.157228913
69677	Molecular_Weight	134.06
538433	Tautomer_Count	1
222549	Defined_Atom_Stereo_Count	4
101254311	Hydrogen_Bond_Acceptor_Count	6
763185	Defined_Atom_Stereo_Count	0
26133	Structure_Complexity	817
70255	Rotatable_Bond_Count	0
15182444	Undefined_Bond_Stereo_Count	0
11732	Rotatable_Bond_Count	1
52005	Exact_Mass	340.98519
7098630	Mono_Isotopic_Weight	342.11621151
76730	Exact_Mass	257.04365571
4915	Undefined_Atom_Stereo_Count	0
67258902	Isotope_Atom_Count	0
71850	Rotatable_Bond_Count	4
5359	Undefined_Atom_Stereo_Count	1
151592	Covalent_Unit_Count	1
13138	Exact_Mass	218.179952478
260708	Rotatable_Bond_Count	1
2103	Undefined_Bond_Stereo_Count	0
2733244	Covalent_Unit_Count	1
135398561	Undefined_Atom_Stereo_Count	0
309266	Rotatable_Bond_Count	2
315411	Total_Formal_Charge	0
528405	Undefined_Atom_Stereo_Count	0
37153	Isotope_Atom_Count	0
5363229	Rotatable_Bond_Count	4
81309	Tautomer_Count	1
101203296	Hydrogen_Bond_Acceptor_Count	1
133667882	Undefined_Bond_Stereo_Count	0
11497983	Mono_Isotopic_Weight	587.20574689
7172	Mono_Isotopic_Weight	167.094628657
2724372	XLogP3	2.7
14619629	Total_Formal_Charge	0
70697507	Structure_Complexity	516
4477	Undefined_Atom_Stereo_Count	0
88358812	Total_Formal_Charge	0
4593	TPSA	70.2
6604334	Defined_Atom_Stereo_Count	19
3876660	Molecular_Weight	380.5
736104	Structure_Complexity	248
11320929	Exact_Mass	116.047344113
163050681	Undefined_Atom_Stereo_Count	1
2817255	Structure_Complexity	458
7430	Mono_Isotopic_Weight	205.9649828
3827	Molecular_Weight	309.4
7108	Isotope_Atom_Count	0
145567316	Hydrogen_Bond_Donor_Count	1
100308	Exact_Mass	338.89287
517	Defined_Bond_Stereo_Count	0
11247	Undefined_Bond_Stereo_Count	0
433902	Mono_Isotopic_Weight	904.44565070
16726631	Hydrogen_Bond_Acceptor_Count	0
15619838	Hydrogen_Bond_Acceptor_Count	2
10672195	Covalent_Unit_Count	1
6918840	Rotatable_Bond_Count	13
15731	Undefined_Bond_Stereo_Count	0
86015488	Structure_Complexity	153
441364	Total_Formal_Charge	0
91185	Isotope_Atom_Count	0
15887890	Defined_Bond_Stereo_Count	0
9297	Isotope_Atom_Count	0
136504	Defined_Bond_Stereo_Count	0
9852904	Structure_Complexity	1160
10453	Hydrogen_Bond_Donor_Count	1
45609	Non-hydrogen_Atom_Count	35
54584292	Total_Formal_Charge	0
5311093	Rotatable_Bond_Count	18
71960	Defined_Atom_Stereo_Count	10
624748	Rotatable_Bond_Count	0
118460906	Defined_Atom_Stereo_Count	6
22843	Exact_Mass	505.9524465
59496876	Rotatable_Bond_Count	1
134694664	Isotope_Atom_Count	0
23368	Isotope_Atom_Count	0
158389	Rotatable_Bond_Count	0
24900937	Hydrogen_Bond_Donor_Count	4
5326956	TPSA	115
135433604	TPSA	106
11700495	TPSA	107
54350	Non-hydrogen_Atom_Count	27
526739	Hydrogen_Bond_Donor_Count	0
156592059	Mono_Isotopic_Weight	895.04440356
71578106	Hydrogen_Bond_Acceptor_Count	9
6326972	Total_Formal_Charge	0
92326	Structure_Complexity	315
13158	Covalent_Unit_Count	2
22129001	Covalent_Unit_Count	1
155340720	Undefined_Atom_Stereo_Count	2
7274	Undefined_Atom_Stereo_Count	0
23567201	Covalent_Unit_Count	1
1491	Structure_Complexity	157
512138	Isotope_Atom_Count	0
81876	Undefined_Atom_Stereo_Count	0
77918	Rotatable_Bond_Count	2
119083105	Molecular_Weight	107.11
12304613	Mono_Isotopic_Weight	152.120115130
2165	Mono_Isotopic_Weight	355.1451400
58233	Total_Formal_Charge	0
58890	Molecular_Weight	321.8
688938	Defined_Atom_Stereo_Count	0
60420	Isotope_Atom_Count	0
79224	Hydrogen_Bond_Donor_Count	0
430914	Defined_Bond_Stereo_Count	0
90997437	TPSA	60.7
4015	Molecular_Weight	299.32
11599	XLogP3-AA	2.4
70837	Isotope_Atom_Count	0
20549002	Undefined_Bond_Stereo_Count	0
11251803	Isotope_Atom_Count	0
55973	Exact_Mass	315.90260
21694866	Hydrogen_Bond_Donor_Count	1
46204457	Total_Formal_Charge	0
22918656	Undefined_Atom_Stereo_Count	0
12415	Undefined_Atom_Stereo_Count	0
67054	Undefined_Bond_Stereo_Count	0
11450	XLogP3	3.3
71449859	XLogP3-AA	3.2
164075219	Undefined_Bond_Stereo_Count	0
11512	Defined_Atom_Stereo_Count	0
19100324	Undefined_Bond_Stereo_Count	0
737157	Molecular_Weight	193.16
145994598	Covalent_Unit_Count	1
5904	Structure_Complexity	530
20472034	Covalent_Unit_Count	1
9231	XLogP3	3.2
9899402	TPSA	24.5
153772784	Defined_Atom_Stereo_Count	0
129831062	Undefined_Atom_Stereo_Count	0
96706	Exact_Mass	112.027277375
10567	Isotope_Atom_Count	0
135445750	Isotope_Atom_Count	0
9378	Isotope_Atom_Count	0
62946	Undefined_Atom_Stereo_Count	0
44291156	Structure_Complexity	3240
10378	Exact_Mass	165.042593085
4343483	TPSA	0
55278707	Covalent_Unit_Count	1
2733245	Undefined_Atom_Stereo_Count	0
126969097	Undefined_Bond_Stereo_Count	2
184934	Defined_Atom_Stereo_Count	0
70077074	Defined_Bond_Stereo_Count	0
51577	Total_Formal_Charge	0
27528	TPSA	54.4
57399796	Covalent_Unit_Count	1
501	Total_Formal_Charge	0
99858	Hydrogen_Bond_Donor_Count	1
6436658	Molecular_Weight	1001.1
67236438	Tautomer_Count	3
8986	XLogP3-AA	3.3
8341	Undefined_Bond_Stereo_Count	0
23665730	Hydrogen_Bond_Donor_Count	0
54471	Hydrogen_Bond_Donor_Count	1
626	Molecular_Weight	180.16
133550157	Isotope_Atom_Count	0
58490287	Defined_Atom_Stereo_Count	0
160440	Covalent_Unit_Count	1
336423	TPSA	39.2
907178	Defined_Bond_Stereo_Count	0
20111	Rotatable_Bond_Count	7
97065	TPSA	98.2
5205	Isotope_Atom_Count	0
41037	Exact_Mass	346.0826531
5282164	Hydrogen_Bond_Donor_Count	1
7530	TPSA	9.2
46882191	XLogP3-AA	3.7
24228	Non-hydrogen_Atom_Count	22
56202	Undefined_Atom_Stereo_Count	1
11961	Structure_Complexity	192
5288672	Undefined_Atom_Stereo_Count	0
135538685	Exact_Mass	247.10692467
9551858	Hydrogen_Bond_Donor_Count	2
123664524	Defined_Atom_Stereo_Count	0
45120438	Isotope_Atom_Count	0
145996525	Total_Formal_Charge	0
123413	Structure_Complexity	66.8
6436143	TPSA	571
6291	XLogP3	4
11197171	Isotope_Atom_Count	0
20587740	XLogP3-AA	1.6
44589090	Total_Formal_Charge	0
19973	Total_Formal_Charge	0
54136480	Exact_Mass	118.062994177
21798491	Hydrogen_Bond_Donor_Count	2
60606	Undefined_Bond_Stereo_Count	0
54399	Tautomer_Count	2
101260859	Isotope_Atom_Count	0
165363357	Defined_Atom_Stereo_Count	7
6400264	Covalent_Unit_Count	1
11564168	Undefined_Bond_Stereo_Count	0
164633	Defined_Atom_Stereo_Count	2
78330	Mono_Isotopic_Weight	188.094963011
129009909	TPSA	231
67532	Tautomer_Count	2
54676825	Undefined_Atom_Stereo_Count	2
122767	Undefined_Atom_Stereo_Count	0
534362	Defined_Atom_Stereo_Count	0
4261	Defined_Atom_Stereo_Count	0
164282	Isotope_Atom_Count	0
91563	Covalent_Unit_Count	1
94294	Hydrogen_Bond_Donor_Count	1
77405	Structure_Complexity	327
111290	Isotope_Atom_Count	0
5375199	Exact_Mass	264.13615911
22475	Rotatable_Bond_Count	11
23521592	Total_Formal_Charge	0
129600762	TPSA	190
208841	Undefined_Atom_Stereo_Count	0
72074	Molecular_Weight	296.33
28858	Undefined_Bond_Stereo_Count	0
53947578	Defined_Bond_Stereo_Count	0
5108689	Hydrogen_Bond_Acceptor_Count	3
638678	Covalent_Unit_Count	1
21265	Hydrogen_Bond_Acceptor_Count	2
14480677	Structure_Complexity	355
158038961	Hydrogen_Bond_Acceptor_Count	1
9819	Undefined_Atom_Stereo_Count	0
53846425	Undefined_Bond_Stereo_Count	2
95391	Molecular_Weight	140.18
20275	Mono_Isotopic_Weight	254.05315
71679077	Covalent_Unit_Count	1
8474	Hydrogen_Bond_Donor_Count	2
59185552	Total_Formal_Charge	0
49836027	Undefined_Atom_Stereo_Count	0
92154	Exact_Mass	189.078978594
16133793	Covalent_Unit_Count	1
53895	TPSA	33.5
75705	Defined_Bond_Stereo_Count	0
44755151	Undefined_Atom_Stereo_Count	0
11263727	Isotope_Atom_Count	0
20055121	Exact_Mass	319.10156451
34751	Total_Formal_Charge	0
175945	Non-hydrogen_Atom_Count	23
674917	TPSA	38.3
79003661	Rotatable_Bond_Count	2
3653077	Undefined_Bond_Stereo_Count	0
131842051	Defined_Atom_Stereo_Count	4
3372016	Molecular_Weight	524.7
97012111	Molecular_Weight	342.30
11910	Molecular_Weight	143.18
145603244	Undefined_Atom_Stereo_Count	2
36582	Hydrogen_Bond_Donor_Count	0
172306	Rotatable_Bond_Count	7
56659408	Structure_Complexity	615
694856	Isotope_Atom_Count	0
58560	TPSA	24.8
7192	XLogP3	2.8
5351257	Mono_Isotopic_Weight	354.07395278
17779323	Non-hydrogen_Atom_Count	6
11126175	Structure_Complexity	93.8
994871	Non-hydrogen_Atom_Count	37
76403	Rotatable_Bond_Count	1
33334	Hydrogen_Bond_Acceptor_Count	4
9796440	Hydrogen_Bond_Acceptor_Count	5
13653621	Structure_Complexity	636
13662384	Undefined_Bond_Stereo_Count	0
11476710	Defined_Bond_Stereo_Count	0
13214209	Non-hydrogen_Atom_Count	8
57505393	Hydrogen_Bond_Donor_Count	1
119097281	Covalent_Unit_Count	1
171092	Molecular_Weight	264.4
85812	Undefined_Bond_Stereo_Count	0
734	Defined_Bond_Stereo_Count	0
70177	Hydrogen_Bond_Donor_Count	2
102175	Covalent_Unit_Count	1
6558	Hydrogen_Bond_Acceptor_Count	1
55300295	TPSA	29.1
85912645	Mono_Isotopic_Weight	98.036779430
29761	XLogP3	2.8
84002	Tautomer_Count	2
82593533	Defined_Atom_Stereo_Count	0
9892815	Mono_Isotopic_Weight	518.13345680
6407	TPSA	17.1
22081030	Undefined_Bond_Stereo_Count	0
551387	Defined_Bond_Stereo_Count	0
68322184	Isotope_Atom_Count	0
12031	Total_Formal_Charge	0
118328333	Undefined_Atom_Stereo_Count	0
33899	Mono_Isotopic_Weight	420.1815851
11051586	Rotatable_Bond_Count	2
155387567	Structure_Complexity	107
10774245	Undefined_Bond_Stereo_Count	0
7537	Isotope_Atom_Count	0
107676	Undefined_Atom_Stereo_Count	0
10535	TPSA	43.1
14770	Hydrogen_Bond_Acceptor_Count	0
7566944	Defined_Bond_Stereo_Count	0
5916968	Molecular_Weight	557.6
74413	Total_Formal_Charge	0
5288670	Rotatable_Bond_Count	9
135409350	Defined_Atom_Stereo_Count	0
8276	Defined_Atom_Stereo_Count	0
169969	Molecular_Weight	68.08
44097	Isotope_Atom_Count	0
68535	Non-hydrogen_Atom_Count	6
133124921	Exact_Mass	925.50349992
8422	Molecular_Weight	202.21
5311424	Rotatable_Bond_Count	5
65888	Covalent_Unit_Count	1
5250834	Hydrogen_Bond_Acceptor_Count	0
147614	Exact_Mass	130.110613074
56603728	Undefined_Atom_Stereo_Count	1
30914	Exact_Mass	122.048012819
39106	Defined_Bond_Stereo_Count	0
